Browse entries in the PDBbind-CN Database
HEADER 5AI1_COMPLEX COMPND 5AI1_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 62 ASN LEU PRO THR ALA GLN GLU VAL GLN GLY LEU MET ALA SEQRES 2 A 62 ARG TYR ILE GLU LEU VAL ASP VAL GLY ASP ILE GLU ALA SEQRES 3 A 62 ILE VAL GLN MET PHE ALA ASP ASP ALA THR VAL GLU ASN SEQRES 4 A 62 PRO PHE GLY GLN PRO PRO ILE HIS GLY ARG GLU GLN ILE SEQRES 5 A 62 ALA ALA PHE PHE ARG GLN GLY LEU GLY GLY SEQRES 1 A 26 VAL ARG ALA CYS LEU THR GLY PRO VAL ARG ALA SER HIS SEQRES 2 A 26 ASN GLY CYS GLY ALA MET PRO PHE ARG VAL GLU MET VAL SEQRES 1 A 32 PRO CYS ALA LEU ASP VAL ILE ASP VAL MET ARG PHE ASP SEQRES 2 A 32 GLU HIS GLY ARG ILE GLN THR MET GLN ALA PHE TRP SER SEQRES 3 A 32 GLU VAL ASN LEU SER VAL SEQRES 1 B 62 ASN LEU PRO THR ALA GLN GLU VAL GLN GLY LEU MET ALA SEQRES 2 B 62 ARG TYR ILE GLU LEU VAL ASP VAL GLY ASP ILE GLU ALA SEQRES 3 B 62 ILE VAL GLN MET PHE ALA ASP ASP ALA THR VAL GLU ASN SEQRES 4 B 62 PRO PHE GLY GLN PRO PRO ILE HIS GLY ARG GLU GLN ILE SEQRES 5 B 62 ALA ALA PHE PHE ARG GLN GLY LEU GLY GLY SEQRES 1 B 26 VAL ARG ALA CYS LEU THR GLY PRO VAL ARG ALA SER HIS SEQRES 2 B 26 ASN GLY CYS GLY ALA MET PRO PHE ARG VAL GLU MET VAL SEQRES 1 B 32 PRO CYS ALA LEU ASP VAL ILE ASP VAL MET ARG PHE ASP SEQRES 2 B 32 GLU HIS GLY ARG ILE GLN THR MET GLN ALA PHE TRP SER SEQRES 3 B 32 GLU VAL ASN LEU SER VAL HET EQU A 357 36 ATOM 1 N ASN A 2 13.372 14.057 17.112 1.00 87.96 N ATOM 2 CA ASN A 2 14.341 12.971 17.003 1.00 88.45 C ATOM 3 C ASN A 2 13.939 11.925 15.963 1.00 80.71 C ATOM 4 O ASN A 2 13.200 12.232 15.027 1.00 74.39 O ATOM 5 CB ASN A 2 14.551 12.316 18.367 1.00 93.12 C ATOM 6 CG ASN A 2 15.638 12.996 19.171 1.00100.75 C ATOM 7 OD1 ASN A 2 16.693 12.415 19.421 1.00104.26 O ATOM 8 ND2 ASN A 2 15.394 14.243 19.564 1.00101.86 N ATOM 9 HD22 ASN A 2 14.487 14.694 19.329 1.00 0.00 H ATOM 10 HD21 ASN A 2 16.110 14.767 20.106 1.00 0.00 H ATOM 11 HN3 ASN A 2 12.448 13.669 17.390 1.00 0.00 H ATOM 12 HN2 ASN A 2 13.286 14.537 16.193 1.00 0.00 H ATOM 13 HN1 ASN A 2 13.694 14.737 17.830 1.00 0.00 H ATOM 14 N LEU A 3 14.440 10.698 16.111 1.00 77.78 N ATOM 15 CA LEU A 3 14.051 9.620 15.202 1.00 65.27 C ATOM 16 C LEU A 3 12.667 9.123 15.581 1.00 55.52 C ATOM 17 O LEU A 3 12.482 8.519 16.639 1.00 60.15 O ATOM 18 CB LEU A 3 15.050 8.466 15.223 1.00 60.88 C ATOM 19 CG LEU A 3 14.835 7.518 14.041 1.00 51.45 C ATOM 20 CD1 LEU A 3 15.196 8.213 12.740 1.00 49.12 C ATOM 21 CD2 LEU A 3 15.618 6.229 14.191 1.00 48.57 C ATOM 22 H LEU A 3 15.113 10.506 16.880 1.00 0.00 H ATOM 23 N PRO A 4 11.691 9.376 14.705 1.00 43.40 N ATOM 24 CA PRO A 4 10.259 9.212 14.973 1.00 44.74 C ATOM 25 C PRO A 4 9.820 7.768 15.248 1.00 52.54 C ATOM 26 O PRO A 4 10.102 6.865 14.459 1.00 49.82 O ATOM 27 CB PRO A 4 9.604 9.732 13.686 1.00 34.28 C ATOM 28 CG PRO A 4 10.641 9.589 12.649 1.00 37.10 C ATOM 29 CD PRO A 4 11.948 9.808 13.321 1.00 39.66 C ATOM 30 N THR A 5 9.124 7.578 16.367 1.00 55.16 N ATOM 31 CA THR A 5 8.458 6.323 16.695 1.00 48.05 C ATOM 32 C THR A 5 7.468 5.931 15.607 1.00 42.82 C ATOM 33 O THR A 5 7.116 6.750 14.748 1.00 36.11 O ATOM 34 CB THR A 5 7.694 6.429 18.020 1.00 47.40 C ATOM 35 OG1 THR A 5 6.582 7.317 17.850 1.00 36.49 O ATOM 36 CG2 THR A 5 8.597 6.955 19.125 1.00 42.91 C ATOM 37 HG1 THR A 5 6.085 7.389 18.703 1.00 0.00 H ATOM 38 H THR A 5 9.052 8.366 17.042 1.00 0.00 H ATOM 39 N ALA A 6 7.005 4.687 15.656 1.00 44.29 N ATOM 40 CA ALA A 6 6.069 4.184 14.654 1.00 37.72 C ATOM 41 C ALA A 6 4.842 5.096 14.530 1.00 35.17 C ATOM 42 O ALA A 6 4.460 5.517 13.436 1.00 34.61 O ATOM 43 CB ALA A 6 5.653 2.743 14.999 1.00 28.60 C ATOM 44 H ALA A 6 7.315 4.058 16.424 1.00 0.00 H ATOM 45 N GLN A 7 4.251 5.421 15.669 1.00 36.08 N ATOM 46 CA GLN A 7 3.083 6.292 15.728 1.00 38.80 C ATOM 47 C GLN A 7 3.365 7.701 15.169 1.00 46.20 C ATOM 48 O GLN A 7 2.566 8.252 14.396 1.00 41.91 O ATOM 49 CB GLN A 7 2.596 6.385 17.167 1.00 43.10 C ATOM 50 CG GLN A 7 2.758 5.080 17.934 1.00 50.10 C ATOM 51 CD GLN A 7 1.836 4.985 19.128 1.00 64.97 C ATOM 52 OE1 GLN A 7 1.655 5.951 19.868 1.00 69.55 O ATOM 53 NE2 GLN A 7 1.253 3.809 19.329 1.00 71.30 N ATOM 54 HE22 GLN A 7 1.436 3.020 18.677 1.00 0.00 H ATOM 55 HE21 GLN A 7 0.614 3.677 20.139 1.00 0.00 H ATOM 56 H GLN A 7 4.635 5.040 16.557 1.00 0.00 H ATOM 57 N GLU A 8 4.501 8.277 15.552 1.00 43.71 N ATOM 58 CA GLU A 8 4.932 9.551 14.976 1.00 40.30 C ATOM 59 C GLU A 8 5.150 9.448 13.461 1.00 35.98 C ATOM 60 O GLU A 8 4.934 10.410 12.723 1.00 37.83 O ATOM 61 CB GLU A 8 6.212 10.036 15.657 1.00 52.04 C ATOM 62 CG GLU A 8 6.027 10.421 17.119 1.00 72.01 C ATOM 63 CD GLU A 8 7.331 10.840 17.791 1.00 91.40 C ATOM 64 OE1 GLU A 8 8.409 10.622 17.194 1.00 96.09 O ATOM 65 OE2 GLU A 8 7.278 11.398 18.911 1.00100.12 O ATOM 66 H GLU A 8 5.092 7.815 16.272 1.00 0.00 H ATOM 67 N VAL A 9 5.582 8.282 12.994 1.00 36.00 N ATOM 68 CA VAL A 9 5.770 8.078 11.565 1.00 29.01 C ATOM 69 C VAL A 9 4.419 8.062 10.874 1.00 25.41 C ATOM 70 O VAL A 9 4.296 8.523 9.751 1.00 23.23 O ATOM 71 CB VAL A 9 6.539 6.767 11.265 1.00 29.11 C ATOM 72 CG1 VAL A 9 6.400 6.390 9.802 1.00 24.80 C ATOM 73 CG2 VAL A 9 8.005 6.930 11.611 1.00 21.83 C ATOM 74 H VAL A 9 5.788 7.507 13.656 1.00 0.00 H ATOM 75 N GLN A 10 3.397 7.544 11.544 1.00 28.19 N ATOM 76 CA GLN A 10 2.069 7.546 10.943 1.00 23.03 C ATOM 77 C GLN A 10 1.572 8.977 10.765 1.00 33.68 C ATOM 78 O GLN A 10 0.921 9.291 9.776 1.00 40.06 O ATOM 79 CB GLN A 10 1.076 6.764 11.786 1.00 20.36 C ATOM 80 CG GLN A 10 1.323 5.269 11.801 1.00 32.54 C ATOM 81 CD GLN A 10 0.190 4.526 12.476 1.00 37.93 C ATOM 82 OE1 GLN A 10 -0.170 4.828 13.611 1.00 35.08 O ATOM 83 NE2 GLN A 10 -0.402 3.567 11.763 1.00 41.73 N ATOM 84 HE22 GLN A 10 -0.062 3.346 10.805 1.00 0.00 H ATOM 85 HE21 GLN A 10 -1.204 3.040 12.165 1.00 0.00 H ATOM 86 H GLN A 10 3.543 7.140 12.491 1.00 0.00 H ATOM 87 N GLY A 11 1.875 9.834 11.735 1.00 34.81 N ATOM 88 CA GLY A 11 1.422 11.210 11.711 1.00 35.00 C ATOM 89 C GLY A 11 2.150 12.009 10.656 1.00 37.78 C ATOM 90 O GLY A 11 1.539 12.745 9.896 1.00 35.00 O ATOM 91 H GLY A 11 2.454 9.507 12.535 1.00 0.00 H ATOM 92 N LEU A 12 3.465 11.850 10.609 1.00 20.26 N ATOM 93 CA LEU A 12 4.285 12.567 9.635 1.00 19.51 C ATOM 94 C LEU A 12 3.904 12.219 8.214 1.00 21.18 C ATOM 95 O LEU A 12 3.766 13.102 7.358 1.00 20.56 O ATOM 96 CB LEU A 12 5.766 12.268 9.867 1.00 22.02 C ATOM 97 CG LEU A 12 6.391 12.992 11.053 1.00 26.93 C ATOM 98 CD1 LEU A 12 7.766 12.410 11.338 1.00 29.11 C ATOM 99 CD2 LEU A 12 6.460 14.518 10.806 1.00 22.95 C ATOM 100 H LEU A 12 3.923 11.201 11.280 1.00 0.00 H ATOM 101 N MET A 13 3.718 10.924 7.954 1.00 21.73 N ATOM 102 CA MET A 13 3.464 10.475 6.595 1.00 23.07 C ATOM 103 C MET A 13 2.079 10.884 6.174 1.00 20.65 C ATOM 104 O MET A 13 1.873 11.283 5.028 1.00 26.48 O ATOM 105 CB MET A 13 3.653 8.966 6.465 1.00 27.76 C ATOM 106 CG MET A 13 5.111 8.568 6.495 1.00 31.86 C ATOM 107 SD MET A 13 5.386 6.875 5.922 1.00 51.48 S ATOM 108 CE MET A 13 5.314 7.083 4.141 1.00 27.10 C ATOM 109 H MET A 13 3.755 10.231 8.729 1.00 0.00 H ATOM 110 N ALA A 14 1.126 10.829 7.095 1.00 24.35 N ATOM 111 CA ALA A 14 -0.216 11.336 6.790 1.00 28.79 C ATOM 112 C ALA A 14 -0.183 12.848 6.508 1.00 30.38 C ATOM 113 O ALA A 14 -0.886 13.352 5.625 1.00 33.78 O ATOM 114 CB ALA A 14 -1.165 11.036 7.927 1.00 26.08 C ATOM 115 H ALA A 14 1.330 10.427 8.032 1.00 0.00 H ATOM 116 N ARG A 15 0.646 13.562 7.260 1.00 21.72 N ATOM 117 CA ARG A 15 0.786 15.008 7.076 1.00 26.96 C ATOM 118 C ARG A 15 1.350 15.327 5.696 1.00 31.44 C ATOM 119 O ARG A 15 0.931 16.283 5.028 1.00 26.30 O ATOM 120 CB ARG A 15 1.672 15.597 8.167 1.00 28.13 C ATOM 121 CG ARG A 15 2.138 17.002 7.875 1.00 26.24 C ATOM 122 CD ARG A 15 2.019 17.846 9.116 1.00 31.96 C ATOM 123 NE ARG A 15 2.020 19.262 8.757 1.00 46.36 N ATOM 124 CZ ARG A 15 3.118 19.947 8.470 1.00 44.84 C ATOM 125 NH1 ARG A 15 4.302 19.351 8.516 1.00 44.93 N ATOM 126 NH2 ARG A 15 3.037 21.226 8.149 1.00 50.73 N ATOM 127 HE ARG A 15 1.108 19.761 8.725 1.00 0.00 H ATOM 128 HH12 ARG A 15 5.164 19.888 8.291 1.00 0.00 H ATOM 129 HH11 ARG A 15 4.369 18.347 8.777 1.00 0.00 H ATOM 130 HH22 ARG A 15 3.900 21.761 7.924 1.00 0.00 H ATOM 131 HH21 ARG A 15 2.110 21.697 8.121 1.00 0.00 H ATOM 132 H ARG A 15 1.207 13.085 7.994 1.00 0.00 H ATOM 133 N TYR A 16 2.303 14.516 5.260 1.00 31.68 N ATOM 134 CA TYR A 16 2.848 14.676 3.924 1.00 28.80 C ATOM 135 C TYR A 16 1.724 14.649 2.879 1.00 29.47 C ATOM 136 O TYR A 16 1.666 15.502 1.984 1.00 20.80 O ATOM 137 CB TYR A 16 3.872 13.580 3.656 1.00 20.92 C ATOM 138 CG TYR A 16 4.400 13.542 2.264 1.00 17.16 C ATOM 139 CD1 TYR A 16 5.456 14.360 1.882 1.00 22.10 C ATOM 140 CD2 TYR A 16 3.864 12.665 1.322 1.00 20.68 C ATOM 141 CE1 TYR A 16 5.950 14.319 0.588 1.00 20.94 C ATOM 142 CE2 TYR A 16 4.348 12.616 0.036 1.00 25.12 C ATOM 143 CZ TYR A 16 5.399 13.450 -0.322 1.00 30.05 C ATOM 144 OH TYR A 16 5.898 13.421 -1.603 1.00 26.65 O ATOM 145 HH TYR A 16 6.235 12.512 -1.804 1.00 0.00 H ATOM 146 H TYR A 16 2.662 13.761 5.878 1.00 0.00 H ATOM 147 N ILE A 17 0.815 13.687 3.017 1.00 24.21 N ATOM 148 CA ILE A 17 -0.257 13.505 2.034 1.00 24.84 C ATOM 149 C ILE A 17 -1.218 14.686 2.036 1.00 20.80 C ATOM 150 O ILE A 17 -1.617 15.160 0.968 1.00 24.16 O ATOM 151 CB ILE A 17 -1.049 12.198 2.279 1.00 28.78 C ATOM 152 CG1 ILE A 17 -0.280 11.021 1.709 1.00 30.55 C ATOM 153 CG2 ILE A 17 -2.375 12.233 1.546 1.00 29.84 C ATOM 154 CD1 ILE A 17 -0.201 11.089 0.193 1.00 36.90 C ATOM 155 H ILE A 17 0.866 13.052 3.839 1.00 0.00 H ATOM 156 N GLU A 18 -1.602 15.148 3.226 1.00 30.77 N ATOM 157 CA GLU A 18 -2.401 16.371 3.368 1.00 34.15 C ATOM 158 C GLU A 18 -1.775 17.572 2.651 1.00 32.70 C ATOM 159 O GLU A 18 -2.460 18.329 1.964 1.00 28.54 O ATOM 160 CB GLU A 18 -2.598 16.722 4.846 1.00 41.86 C ATOM 161 CG GLU A 18 -3.647 15.896 5.578 1.00 56.75 C ATOM 162 CD GLU A 18 -3.942 16.422 6.983 1.00 71.56 C ATOM 163 OE1 GLU A 18 -3.240 16.021 7.939 1.00 71.75 O ATOM 164 OE2 GLU A 18 -4.881 17.239 7.129 1.00 82.03 O ATOM 165 H GLU A 18 -1.326 14.625 4.082 1.00 0.00 H ATOM 166 N LEU A 19 -0.470 17.745 2.827 1.00 29.12 N ATOM 167 CA LEU A 19 0.245 18.850 2.212 1.00 28.36 C ATOM 168 C LEU A 19 0.234 18.759 0.690 1.00 26.67 C ATOM 169 O LEU A 19 0.095 19.757 -0.002 1.00 33.94 O ATOM 170 CB LEU A 19 1.682 18.888 2.720 1.00 26.30 C ATOM 171 CG LEU A 19 1.867 19.352 4.163 1.00 26.87 C ATOM 172 CD1 LEU A 19 3.356 19.439 4.483 1.00 25.12 C ATOM 173 CD2 LEU A 19 1.177 20.697 4.392 1.00 24.12 C ATOM 174 H LEU A 19 0.054 17.071 3.421 1.00 0.00 H ATOM 175 N VAL A 20 0.403 17.555 0.166 1.00 23.80 N ATOM 176 CA VAL A 20 0.402 17.341 -1.280 1.00 21.00 C ATOM 177 C VAL A 20 -0.967 17.656 -1.830 1.00 24.02 C ATOM 178 O VAL A 20 -1.095 18.331 -2.851 1.00 26.47 O ATOM 179 CB VAL A 20 0.782 15.898 -1.647 1.00 24.39 C ATOM 180 CG1 VAL A 20 0.379 15.583 -3.088 1.00 18.99 C ATOM 181 CG2 VAL A 20 2.269 15.685 -1.445 1.00 28.10 C ATOM 182 H VAL A 20 0.540 16.741 0.799 1.00 0.00 H ATOM 183 N ASP A 21 -1.992 17.196 -1.121 1.00 21.60 N ATOM 184 CA ASP A 21 -3.364 17.451 -1.514 1.00 34.86 C ATOM 185 C ASP A 21 -3.647 18.942 -1.761 1.00 41.43 C ATOM 186 O ASP A 21 -4.237 19.291 -2.783 1.00 44.11 O ATOM 187 CB ASP A 21 -4.315 16.906 -0.453 1.00 44.04 C ATOM 188 CG ASP A 21 -5.762 16.898 -0.911 1.00 62.50 C ATOM 189 OD1 ASP A 21 -6.040 16.350 -2.000 1.00 66.40 O ATOM 190 OD2 ASP A 21 -6.623 17.448 -0.187 1.00 71.06 O ATOM 191 H ASP A 21 -1.806 16.639 -0.263 1.00 0.00 H ATOM 192 N VAL A 22 -3.237 19.816 -0.840 1.00 42.86 N ATOM 193 CA VAL A 22 -3.475 21.256 -1.015 1.00 38.32 C ATOM 194 C VAL A 22 -2.459 21.854 -1.981 1.00 37.80 C ATOM 195 O VAL A 22 -2.775 22.759 -2.737 1.00 45.30 O ATOM 196 CB VAL A 22 -3.427 22.042 0.322 1.00 43.34 C ATOM 197 CG1 VAL A 22 -4.422 21.471 1.310 1.00 48.74 C ATOM 198 CG2 VAL A 22 -2.027 22.041 0.918 1.00 34.27 C ATOM 199 H VAL A 22 -2.744 19.475 0.010 1.00 0.00 H ATOM 200 N GLY A 23 -1.245 21.318 -1.980 1.00 41.98 N ATOM 201 CA GLY A 23 -0.196 21.832 -2.833 1.00 40.01 C ATOM 202 C GLY A 23 0.588 22.969 -2.198 1.00 46.48 C ATOM 203 O GLY A 23 0.986 23.907 -2.892 1.00 55.24 O ATOM 204 H GLY A 23 -1.044 20.513 -1.354 1.00 0.00 H ATOM 205 N ASP A 24 0.819 22.894 -0.888 1.00 48.52 N ATOM 206 CA ASP A 24 1.643 23.895 -0.209 1.00 55.18 C ATOM 207 C ASP A 24 3.123 23.557 -0.347 1.00 42.96 C ATOM 208 O ASP A 24 3.685 22.857 0.489 1.00 34.76 O ATOM 209 CB ASP A 24 1.263 24.002 1.269 1.00 63.86 C ATOM 210 CG ASP A 24 1.797 25.270 1.923 1.00 67.05 C ATOM 211 OD1 ASP A 24 2.994 25.579 1.752 1.00 70.57 O ATOM 212 OD2 ASP A 24 1.018 25.961 2.609 1.00 65.23 O ATOM 213 H ASP A 24 0.407 22.112 -0.339 1.00 0.00 H ATOM 214 N ILE A 25 3.754 24.090 -1.386 1.00 43.74 N ATOM 215 CA ILE A 25 5.072 23.630 -1.816 1.00 44.89 C ATOM 216 C ILE A 25 6.185 23.895 -0.807 1.00 43.32 C ATOM 217 O ILE A 25 7.039 23.036 -0.572 1.00 39.91 O ATOM 218 CB ILE A 25 5.443 24.265 -3.166 1.00 49.48 C ATOM 219 CG1 ILE A 25 4.435 23.817 -4.229 1.00 54.23 C ATOM 220 CG2 ILE A 25 6.854 23.872 -3.584 1.00 49.82 C ATOM 221 CD1 ILE A 25 4.661 24.425 -5.583 1.00 62.38 C ATOM 222 H ILE A 25 3.295 24.861 -1.912 1.00 0.00 H ATOM 223 N GLU A 26 6.179 25.075 -0.203 1.00 40.91 N ATOM 224 CA GLU A 26 7.210 25.401 0.770 1.00 47.42 C ATOM 225 C GLU A 26 7.106 24.489 1.984 1.00 45.67 C ATOM 226 O GLU A 26 8.118 24.048 2.512 1.00 40.41 O ATOM 227 CB GLU A 26 7.127 26.863 1.200 1.00 64.32 C ATOM 228 CG GLU A 26 5.744 27.327 1.638 1.00 85.36 C ATOM 229 CD GLU A 26 4.815 27.635 0.467 1.00102.19 C ATOM 230 OE1 GLU A 26 5.198 27.380 -0.698 1.00104.67 O ATOM 231 OE2 GLU A 26 3.699 28.139 0.719 1.00110.29 O ATOM 232 H GLU A 26 5.436 25.768 -0.425 1.00 0.00 H ATOM 233 N ALA A 27 5.882 24.203 2.416 1.00 28.00 N ATOM 234 CA ALA A 27 5.674 23.338 3.559 1.00 26.97 C ATOM 235 C ALA A 27 5.997 21.881 3.198 1.00 41.35 C ATOM 236 O ALA A 27 6.478 21.120 4.039 1.00 42.50 O ATOM 237 CB ALA A 27 4.245 23.462 4.067 1.00 30.09 C ATOM 238 H ALA A 27 5.059 24.607 1.925 1.00 0.00 H ATOM 239 N ILE A 28 5.734 21.487 1.956 1.00 33.11 N ATOM 240 CA ILE A 28 6.125 20.145 1.554 1.00 30.55 C ATOM 241 C ILE A 28 7.627 20.014 1.627 1.00 23.78 C ATOM 242 O ILE A 28 8.163 19.098 2.249 1.00 30.14 O ATOM 243 CB ILE A 28 5.684 19.789 0.142 1.00 36.77 C ATOM 244 CG1 ILE A 28 4.164 19.812 0.043 1.00 44.88 C ATOM 245 CG2 ILE A 28 6.175 18.392 -0.202 1.00 36.10 C ATOM 246 CD1 ILE A 28 3.664 19.704 -1.381 1.00 52.86 C ATOM 247 H ILE A 28 5.259 22.125 1.286 1.00 0.00 H ATOM 248 N VAL A 29 8.304 20.946 0.983 1.00 32.34 N ATOM 249 CA VAL A 29 9.750 20.927 0.901 1.00 32.97 C ATOM 250 C VAL A 29 10.424 20.919 2.269 1.00 35.73 C ATOM 251 O VAL A 29 11.490 20.326 2.447 1.00 27.31 O ATOM 252 CB VAL A 29 10.231 22.135 0.091 1.00 41.59 C ATOM 253 CG1 VAL A 29 11.719 22.380 0.290 1.00 32.97 C ATOM 254 CG2 VAL A 29 9.900 21.911 -1.370 1.00 44.48 C ATOM 255 H VAL A 29 7.783 21.718 0.520 1.00 0.00 H ATOM 256 N GLN A 30 9.801 21.564 3.245 1.00 35.57 N ATOM 257 CA GLN A 30 10.408 21.644 4.569 1.00 31.12 C ATOM 258 C GLN A 30 10.288 20.318 5.317 1.00 28.69 C ATOM 259 O GLN A 30 10.927 20.134 6.340 1.00 27.86 O ATOM 260 CB GLN A 30 9.775 22.776 5.382 1.00 39.02 C ATOM 261 CG GLN A 30 10.600 23.233 6.594 1.00 53.04 C ATOM 262 CD GLN A 30 11.983 23.762 6.220 1.00 65.78 C ATOM 263 OE1 GLN A 30 12.184 24.300 5.128 1.00 73.37 O ATOM 264 NE2 GLN A 30 12.942 23.610 7.131 1.00 69.99 N ATOM 265 HE22 GLN A 30 12.728 23.150 8.039 1.00 0.00 H ATOM 266 HE21 GLN A 30 13.905 23.951 6.934 1.00 0.00 H ATOM 267 H GLN A 30 8.880 22.013 3.067 1.00 0.00 H ATOM 268 N MET A 31 9.469 19.399 4.813 1.00 26.45 N ATOM 269 CA MET A 31 9.369 18.081 5.430 1.00 33.75 C ATOM 270 C MET A 31 10.612 17.235 5.162 1.00 30.61 C ATOM 271 O MET A 31 10.890 16.293 5.898 1.00 36.57 O ATOM 272 CB MET A 31 8.127 17.339 4.943 1.00 34.75 C ATOM 273 CG MET A 31 6.826 17.902 5.483 1.00 41.87 C ATOM 274 SD MET A 31 5.538 16.646 5.639 1.00 43.54 S ATOM 275 CE MET A 31 6.013 15.849 7.183 1.00 19.74 C ATOM 276 H MET A 31 8.896 19.622 3.974 1.00 0.00 H ATOM 277 N PHE A 32 11.359 17.584 4.116 1.00 28.53 N ATOM 278 CA PHE A 32 12.531 16.822 3.684 1.00 25.59 C ATOM 279 C PHE A 32 13.791 17.331 4.345 1.00 33.96 C ATOM 280 O PHE A 32 13.886 18.513 4.665 1.00 40.78 O ATOM 281 CB PHE A 32 12.691 16.920 2.154 1.00 23.71 C ATOM 282 CG PHE A 32 11.631 16.205 1.403 1.00 19.27 C ATOM 283 CD1 PHE A 32 10.388 16.783 1.222 1.00 27.46 C ATOM 284 CD2 PHE A 32 11.854 14.920 0.914 1.00 18.46 C ATOM 285 CE1 PHE A 32 9.391 16.108 0.543 1.00 19.50 C ATOM 286 CE2 PHE A 32 10.854 14.239 0.242 1.00 16.81 C ATOM 287 CZ PHE A 32 9.623 14.834 0.056 1.00 23.90 C ATOM 288 H PHE A 32 11.097 18.437 3.582 1.00 0.00 H ATOM 289 N ALA A 33 14.779 16.464 4.528 1.00 29.11 N ATOM 290 CA ALA A 33 16.100 16.958 4.894 1.00 33.79 C ATOM 291 C ALA A 33 16.637 17.765 3.723 1.00 42.15 C ATOM 292 O ALA A 33 16.192 17.590 2.582 1.00 33.78 O ATOM 293 CB ALA A 33 17.036 15.825 5.242 1.00 34.66 C ATOM 294 H ALA A 33 14.612 15.444 4.412 1.00 0.00 H ATOM 295 N ASP A 34 17.591 18.654 3.984 1.00 49.58 N ATOM 296 CA ASP A 34 18.059 19.543 2.919 1.00 61.69 C ATOM 297 C ASP A 34 18.869 18.763 1.879 1.00 62.06 C ATOM 298 O ASP A 34 19.055 19.231 0.754 1.00 65.19 O ATOM 299 CB ASP A 34 18.877 20.710 3.491 1.00 73.90 C ATOM 300 CG ASP A 34 20.305 20.324 3.824 1.00 85.98 C ATOM 301 OD1 ASP A 34 20.505 19.516 4.756 1.00 90.58 O ATOM 302 OD2 ASP A 34 21.232 20.846 3.163 1.00 90.61 O ATOM 303 H ASP A 34 18.002 18.717 4.937 1.00 0.00 H ATOM 304 N ASP A 35 19.310 17.561 2.262 1.00 57.93 N ATOM 305 CA ASP A 35 20.103 16.676 1.407 1.00 54.99 C ATOM 306 C ASP A 35 19.319 15.408 1.054 1.00 40.12 C ATOM 307 O ASP A 35 19.889 14.396 0.664 1.00 32.29 O ATOM 308 CB ASP A 35 21.411 16.296 2.099 1.00 71.83 C ATOM 309 CG ASP A 35 21.184 15.671 3.464 1.00 88.70 C ATOM 310 OD1 ASP A 35 20.284 16.141 4.191 1.00 90.94 O ATOM 311 OD2 ASP A 35 21.893 14.698 3.803 1.00 98.85 O ATOM 312 H ASP A 35 19.077 17.236 3.222 1.00 0.00 H ATOM 313 N ALA A 36 18.007 15.478 1.223 1.00 32.65 N ATOM 314 CA ALA A 36 17.119 14.380 0.902 1.00 26.86 C ATOM 315 C ALA A 36 17.288 13.919 -0.536 1.00 26.15 C ATOM 316 O ALA A 36 17.501 14.725 -1.444 1.00 34.35 O ATOM 317 CB ALA A 36 15.681 14.787 1.155 1.00 22.27 C ATOM 318 H ALA A 36 17.598 16.356 1.601 1.00 0.00 H ATOM 319 N THR A 37 17.202 12.613 -0.746 1.00 30.35 N ATOM 320 CA THR A 37 17.126 12.086 -2.103 1.00 34.50 C ATOM 321 C THR A 37 15.713 11.607 -2.369 1.00 35.05 C ATOM 322 O THR A 37 15.046 11.080 -1.480 1.00 43.34 O ATOM 323 CB THR A 37 18.100 10.940 -2.327 1.00 44.22 C ATOM 324 OG1 THR A 37 17.624 9.786 -1.632 1.00 49.14 O ATOM 325 CG2 THR A 37 19.493 11.315 -1.815 1.00 46.64 C ATOM 326 HG1 THR A 37 16.730 9.539 -1.978 1.00 0.00 H ATOM 327 H THR A 37 17.189 11.960 0.063 1.00 0.00 H ATOM 328 N VAL A 38 15.244 11.801 -3.593 1.00 29.09 N ATOM 329 CA VAL A 38 13.892 11.400 -3.951 1.00 25.11 C ATOM 330 C VAL A 38 13.890 10.661 -5.276 1.00 31.59 C ATOM 331 O VAL A 38 14.329 11.205 -6.297 1.00 37.72 O ATOM 332 CB VAL A 38 12.947 12.606 -4.038 1.00 20.19 C ATOM 333 CG1 VAL A 38 11.604 12.191 -4.622 1.00 17.44 C ATOM 334 CG2 VAL A 38 12.747 13.193 -2.646 1.00 25.60 C ATOM 335 H VAL A 38 15.852 12.247 -4.309 1.00 0.00 H ATOM 336 N GLU A 39 13.420 9.416 -5.231 1.00 33.98 N ATOM 337 CA GLU A 39 13.262 8.559 -6.406 1.00 42.09 C ATOM 338 C GLU A 39 11.787 8.425 -6.756 1.00 38.18 C ATOM 339 O GLU A 39 11.018 7.827 -6.001 1.00 34.50 O ATOM 340 CB GLU A 39 13.853 7.175 -6.161 1.00 47.04 C ATOM 341 CG GLU A 39 15.290 7.010 -6.576 1.00 66.38 C ATOM 342 CD GLU A 39 15.632 5.560 -6.869 1.00 86.55 C ATOM 343 OE1 GLU A 39 15.362 5.094 -8.002 1.00 89.62 O ATOM 344 OE2 GLU A 39 16.167 4.885 -5.963 1.00 98.66 O ATOM 345 H GLU A 39 13.149 9.029 -4.304 1.00 0.00 H ATOM 346 N ASN A 40 11.398 8.981 -7.898 1.00 34.98 N ATOM 347 CA ASN A 40 9.996 9.027 -8.272 1.00 35.30 C ATOM 348 C ASN A 40 9.852 9.111 -9.788 1.00 40.69 C ATOM 349 O ASN A 40 10.094 10.162 -10.374 1.00 43.80 O ATOM 350 CB ASN A 40 9.313 10.215 -7.594 1.00 35.62 C ATOM 351 CG ASN A 40 7.798 10.163 -7.701 1.00 43.98 C ATOM 352 OD1 ASN A 40 7.253 9.572 -8.629 1.00 45.86 O ATOM 353 ND2 ASN A 40 7.112 10.801 -6.756 1.00 39.32 N ATOM 354 HD22 ASN A 40 7.615 11.289 -5.988 1.00 0.00 H ATOM 355 HD21 ASN A 40 6.072 10.812 -6.786 1.00 0.00 H ATOM 356 H ASN A 40 12.110 9.391 -8.535 1.00 0.00 H ATOM 357 N PRO A 41 9.462 7.999 -10.432 1.00 40.71 N ATOM 358 CA PRO A 41 9.181 6.711 -9.788 1.00 33.13 C ATOM 359 C PRO A 41 10.452 5.942 -9.476 1.00 35.42 C ATOM 360 O PRO A 41 11.523 6.269 -9.981 1.00 30.58 O ATOM 361 CB PRO A 41 8.350 5.964 -10.837 1.00 35.59 C ATOM 362 CG PRO A 41 8.870 6.493 -12.144 1.00 41.89 C ATOM 363 CD PRO A 41 9.242 7.946 -11.891 1.00 41.92 C ATOM 364 N PHE A 42 10.327 4.932 -8.629 1.00 36.08 N ATOM 365 CA PHE A 42 11.446 4.058 -8.330 1.00 41.34 C ATOM 366 C PHE A 42 11.970 3.443 -9.626 1.00 42.32 C ATOM 367 O PHE A 42 11.197 3.006 -10.472 1.00 41.25 O ATOM 368 CB PHE A 42 11.025 2.977 -7.338 1.00 40.68 C ATOM 369 CG PHE A 42 12.154 2.144 -6.850 1.00 48.22 C ATOM 370 CD1 PHE A 42 13.001 2.619 -5.868 1.00 49.47 C ATOM 371 CD2 PHE A 42 12.376 0.882 -7.377 1.00 54.14 C ATOM 372 CE1 PHE A 42 14.048 1.852 -5.420 1.00 57.29 C ATOM 373 CE2 PHE A 42 13.422 0.109 -6.932 1.00 56.91 C ATOM 374 CZ PHE A 42 14.258 0.591 -5.954 1.00 59.82 C ATOM 375 H PHE A 42 9.410 4.762 -8.169 1.00 0.00 H ATOM 376 N GLY A 43 13.284 3.440 -9.793 1.00 44.00 N ATOM 377 CA GLY A 43 13.863 3.044 -11.057 1.00 50.65 C ATOM 378 C GLY A 43 14.442 4.227 -11.814 1.00 54.38 C ATOM 379 O GLY A 43 15.404 4.081 -12.567 1.00 50.87 O ATOM 380 H GLY A 43 13.904 3.725 -9.008 1.00 0.00 H ATOM 381 N GLN A 44 13.855 5.403 -11.628 1.00 60.35 N ATOM 382 CA GLN A 44 14.383 6.621 -12.245 1.00 66.69 C ATOM 383 C GLN A 44 15.547 7.141 -11.398 1.00 63.88 C ATOM 384 O GLN A 44 15.596 6.874 -10.198 1.00 62.91 O ATOM 385 CB GLN A 44 13.276 7.678 -12.377 1.00 74.20 C ATOM 386 CG GLN A 44 13.299 8.515 -13.660 1.00 82.26 C ATOM 387 CD GLN A 44 13.137 7.682 -14.924 1.00 87.78 C ATOM 388 OE1 GLN A 44 12.617 6.567 -14.886 1.00 86.68 O ATOM 389 NE2 GLN A 44 13.579 8.229 -16.054 1.00 92.41 N ATOM 390 HE22 GLN A 44 14.012 9.174 -16.039 1.00 0.00 H ATOM 391 HE21 GLN A 44 13.491 7.711 -16.952 1.00 0.00 H ATOM 392 H GLN A 44 13.004 5.460 -11.033 1.00 0.00 H ATOM 393 N PRO A 45 16.500 7.864 -12.017 1.00 66.13 N ATOM 394 CA PRO A 45 17.589 8.446 -11.224 1.00 62.69 C ATOM 395 C PRO A 45 17.060 9.406 -10.171 1.00 48.63 C ATOM 396 O PRO A 45 16.036 10.047 -10.373 1.00 44.22 O ATOM 397 CB PRO A 45 18.441 9.178 -12.265 1.00 67.18 C ATOM 398 CG PRO A 45 17.542 9.357 -13.439 1.00 70.99 C ATOM 399 CD PRO A 45 16.672 8.143 -13.450 1.00 69.98 C ATOM 400 N PRO A 46 17.740 9.475 -9.030 1.00 47.90 N ATOM 401 CA PRO A 46 17.199 10.274 -7.937 1.00 47.11 C ATOM 402 C PRO A 46 17.517 11.748 -8.081 1.00 41.46 C ATOM 403 O PRO A 46 18.585 12.150 -8.546 1.00 40.28 O ATOM 404 CB PRO A 46 17.882 9.687 -6.704 1.00 52.80 C ATOM 405 CG PRO A 46 19.173 9.164 -7.212 1.00 60.41 C ATOM 406 CD PRO A 46 18.951 8.736 -8.637 1.00 58.41 C ATOM 407 N ILE A 47 16.545 12.552 -7.693 1.00 32.95 N ATOM 408 CA ILE A 47 16.770 13.967 -7.570 1.00 31.03 C ATOM 409 C ILE A 47 17.174 14.237 -6.127 1.00 32.16 C ATOM 410 O ILE A 47 16.816 13.490 -5.206 1.00 34.09 O ATOM 411 CB ILE A 47 15.542 14.753 -7.998 1.00 35.89 C ATOM 412 CG1 ILE A 47 14.297 14.223 -7.316 1.00 33.07 C ATOM 413 CG2 ILE A 47 15.346 14.605 -9.503 1.00 33.97 C ATOM 414 CD1 ILE A 47 13.345 15.292 -6.871 1.00 23.86 C ATOM 415 H ILE A 47 15.608 12.159 -7.474 1.00 0.00 H ATOM 416 N HIS A 48 17.973 15.265 -5.927 1.00 26.11 N ATOM 417 CA HIS A 48 18.605 15.422 -4.641 1.00 60.33 C ATOM 418 C HIS A 48 18.605 16.858 -4.167 1.00 55.70 C ATOM 419 O HIS A 48 18.880 17.786 -4.932 1.00 53.30 O ATOM 420 CB HIS A 48 20.037 14.889 -4.690 1.00 71.46 C ATOM 421 CG HIS A 48 20.881 15.335 -3.537 1.00 90.00 C ATOM 422 ND1 HIS A 48 21.213 14.498 -2.494 1.00 96.36 N ATOM 423 CD2 HIS A 48 21.479 16.523 -3.273 1.00100.28 C ATOM 424 CE1 HIS A 48 21.964 15.157 -1.626 1.00103.33 C ATOM 425 NE2 HIS A 48 22.141 16.385 -2.078 1.00105.12 N ATOM 426 H HIS A 48 18.146 15.954 -6.687 1.00 0.00 H ATOM 427 N GLY A 49 18.307 17.037 -2.889 1.00 27.18 N ATOM 428 CA GLY A 49 18.440 18.347 -2.285 1.00 37.83 C ATOM 429 C GLY A 49 17.140 19.100 -2.366 1.00 36.55 C ATOM 430 O GLY A 49 16.283 18.782 -3.186 1.00 40.54 O ATOM 431 H GLY A 49 17.976 16.234 -2.317 1.00 0.00 H ATOM 432 N ARG A 50 16.979 20.096 -1.509 1.00 33.19 N ATOM 433 CA ARG A 50 15.712 20.806 -1.451 1.00 34.25 C ATOM 434 C ARG A 50 15.434 21.628 -2.702 1.00 28.69 C ATOM 435 O ARG A 50 14.287 21.761 -3.102 1.00 43.80 O ATOM 436 CB ARG A 50 15.669 21.690 -0.219 1.00 36.41 C ATOM 437 CG ARG A 50 15.165 20.950 0.990 1.00 37.25 C ATOM 438 CD ARG A 50 15.244 21.840 2.182 1.00 43.35 C ATOM 439 NE ARG A 50 14.847 21.144 3.390 1.00 41.68 N ATOM 440 CZ ARG A 50 14.854 21.715 4.584 1.00 45.87 C ATOM 441 NH1 ARG A 50 15.224 22.983 4.689 1.00 44.02 N ATOM 442 NH2 ARG A 50 14.478 21.033 5.659 1.00 46.01 N ATOM 443 HE ARG A 50 14.543 20.152 3.315 1.00 0.00 H ATOM 444 HH12 ARG A 50 15.235 23.446 5.620 1.00 0.00 H ATOM 445 HH11 ARG A 50 15.504 23.515 3.840 1.00 0.00 H ATOM 446 HH22 ARG A 50 14.486 21.489 6.594 1.00 0.00 H ATOM 447 HH21 ARG A 50 14.175 20.042 5.567 1.00 0.00 H ATOM 448 H ARG A 50 17.759 20.370 -0.878 1.00 0.00 H ATOM 449 N GLU A 51 16.463 22.172 -3.333 1.00 30.74 N ATOM 450 CA GLU A 51 16.202 22.917 -4.559 1.00 37.80 C ATOM 451 C GLU A 51 15.614 21.989 -5.639 1.00 39.88 C ATOM 452 O GLU A 51 14.544 22.262 -6.182 1.00 41.43 O ATOM 453 CB GLU A 51 17.457 23.605 -5.078 1.00 37.86 C ATOM 454 CG GLU A 51 17.157 24.517 -6.264 1.00 57.99 C ATOM 455 CD GLU A 51 18.404 24.944 -7.013 1.00 76.70 C ATOM 456 OE1 GLU A 51 19.466 24.330 -6.783 1.00 82.92 O ATOM 457 OE2 GLU A 51 18.324 25.892 -7.831 1.00 83.65 O ATOM 458 H GLU A 51 17.430 22.071 -2.965 1.00 0.00 H ATOM 459 N GLN A 52 16.280 20.874 -5.924 1.00 35.23 N ATOM 460 CA GLN A 52 15.777 19.968 -6.953 1.00 36.34 C ATOM 461 C GLN A 52 14.429 19.363 -6.564 1.00 35.68 C ATOM 462 O GLN A 52 13.597 19.096 -7.429 1.00 36.20 O ATOM 463 CB GLN A 52 16.801 18.874 -7.244 1.00 41.13 C ATOM 464 CG GLN A 52 18.076 19.439 -7.868 1.00 54.07 C ATOM 465 CD GLN A 52 19.057 18.367 -8.316 1.00 63.69 C ATOM 466 OE1 GLN A 52 18.675 17.228 -8.608 1.00 69.01 O ATOM 467 NE2 GLN A 52 20.334 18.727 -8.367 1.00 65.21 N ATOM 468 HE22 GLN A 52 20.612 19.696 -8.113 1.00 0.00 H ATOM 469 HE21 GLN A 52 21.057 18.040 -8.661 1.00 0.00 H ATOM 470 H GLN A 52 17.158 20.647 -5.415 1.00 0.00 H ATOM 471 N ILE A 53 14.195 19.181 -5.266 1.00 32.52 N ATOM 472 CA ILE A 53 12.924 18.633 -4.797 1.00 23.05 C ATOM 473 C ILE A 53 11.792 19.666 -4.930 1.00 40.48 C ATOM 474 O ILE A 53 10.671 19.322 -5.312 1.00 36.52 O ATOM 475 CB ILE A 53 13.007 18.144 -3.331 1.00 26.70 C ATOM 476 CG1 ILE A 53 13.917 16.919 -3.214 1.00 25.70 C ATOM 477 CG2 ILE A 53 11.631 17.735 -2.821 1.00 20.49 C ATOM 478 CD1 ILE A 53 14.113 16.458 -1.791 1.00 29.68 C ATOM 479 H ILE A 53 14.929 19.433 -4.574 1.00 0.00 H ATOM 480 N ALA A 54 12.081 20.929 -4.618 1.00 36.74 N ATOM 481 CA ALA A 54 11.075 21.989 -4.739 1.00 36.53 C ATOM 482 C ALA A 54 10.608 22.150 -6.181 1.00 34.27 C ATOM 483 O ALA A 54 9.412 22.309 -6.449 1.00 29.01 O ATOM 484 CB ALA A 54 11.625 23.321 -4.213 1.00 34.93 C ATOM 485 H ALA A 54 13.036 21.167 -4.283 1.00 0.00 H ATOM 486 N ALA A 55 11.564 22.134 -7.105 1.00 30.57 N ATOM 487 CA ALA A 55 11.251 22.228 -8.519 1.00 31.30 C ATOM 488 C ALA A 55 10.343 21.067 -8.940 1.00 35.98 C ATOM 489 O ALA A 55 9.411 21.250 -9.726 1.00 36.80 O ATOM 490 CB ALA A 55 12.523 22.230 -9.344 1.00 34.64 C ATOM 491 H ALA A 55 12.557 22.052 -6.808 1.00 0.00 H ATOM 492 N PHE A 56 10.614 19.880 -8.404 1.00 32.30 N ATOM 493 CA PHE A 56 9.828 18.700 -8.761 1.00 34.33 C ATOM 494 C PHE A 56 8.371 18.925 -8.387 1.00 37.21 C ATOM 495 O PHE A 56 7.476 18.767 -9.212 1.00 36.64 O ATOM 496 CB PHE A 56 10.368 17.445 -8.072 1.00 25.82 C ATOM 497 CG PHE A 56 9.464 16.256 -8.192 1.00 34.22 C ATOM 498 CD1 PHE A 56 9.447 15.494 -9.354 1.00 40.50 C ATOM 499 CD2 PHE A 56 8.627 15.897 -7.147 1.00 33.70 C ATOM 500 CE1 PHE A 56 8.612 14.389 -9.466 1.00 42.96 C ATOM 501 CE2 PHE A 56 7.793 14.795 -7.254 1.00 41.13 C ATOM 502 CZ PHE A 56 7.785 14.045 -8.417 1.00 43.10 C ATOM 503 H PHE A 56 11.395 19.790 -7.723 1.00 0.00 H ATOM 504 N PHE A 57 8.139 19.329 -7.144 1.00 39.27 N ATOM 505 CA PHE A 57 6.773 19.533 -6.675 1.00 39.62 C ATOM 506 C PHE A 57 6.107 20.696 -7.366 1.00 40.29 C ATOM 507 O PHE A 57 4.885 20.727 -7.483 1.00 40.74 O ATOM 508 CB PHE A 57 6.750 19.736 -5.167 1.00 34.83 C ATOM 509 CG PHE A 57 6.919 18.461 -4.412 1.00 38.38 C ATOM 510 CD1 PHE A 57 5.894 17.535 -4.372 1.00 29.31 C ATOM 511 CD2 PHE A 57 8.109 18.169 -3.775 1.00 41.38 C ATOM 512 CE1 PHE A 57 6.036 16.360 -3.687 1.00 35.26 C ATOM 513 CE2 PHE A 57 8.264 16.983 -3.097 1.00 41.95 C ATOM 514 CZ PHE A 57 7.222 16.072 -3.053 1.00 40.39 C ATOM 515 H PHE A 57 8.937 19.501 -6.500 1.00 0.00 H ATOM 516 N ARG A 58 6.910 21.645 -7.834 1.00 38.01 N ATOM 517 CA ARG A 58 6.354 22.844 -8.438 1.00 48.22 C ATOM 518 C ARG A 58 5.701 22.517 -9.777 1.00 50.34 C ATOM 519 O ARG A 58 4.594 22.976 -10.057 1.00 57.53 O ATOM 520 CB ARG A 58 7.425 23.919 -8.619 1.00 48.97 C ATOM 521 CG ARG A 58 6.879 25.320 -8.534 1.00 63.66 C ATOM 522 CD ARG A 58 7.989 26.349 -8.500 1.00 71.87 C ATOM 523 NE ARG A 58 8.788 26.242 -7.286 1.00 76.10 N ATOM 524 CZ ARG A 58 8.415 26.730 -6.109 1.00 80.88 C ATOM 525 NH1 ARG A 58 7.243 27.347 -5.983 1.00 83.67 N ATOM 526 NH2 ARG A 58 9.208 26.596 -5.055 1.00 80.11 N ATOM 527 HE ARG A 58 9.705 25.754 -7.345 1.00 0.00 H ATOM 528 HH12 ARG A 58 6.953 27.729 -5.060 1.00 0.00 H ATOM 529 HH11 ARG A 58 6.617 27.448 -6.807 1.00 0.00 H ATOM 530 HH22 ARG A 58 8.916 26.978 -4.133 1.00 0.00 H ATOM 531 HH21 ARG A 58 10.122 26.109 -5.150 1.00 0.00 H ATOM 532 H ARG A 58 7.941 21.529 -7.768 1.00 0.00 H ATOM 533 N GLN A 59 6.374 21.726 -10.608 1.00 43.41 N ATOM 534 CA GLN A 59 5.782 21.389 -11.893 1.00 52.83 C ATOM 535 C GLN A 59 4.882 20.191 -11.770 1.00 49.14 C ATOM 536 O GLN A 59 4.034 19.956 -12.637 1.00 57.46 O ATOM 537 CB GLN A 59 6.840 21.133 -12.976 1.00 62.88 C ATOM 538 CG GLN A 59 6.900 22.261 -14.002 1.00 78.14 C ATOM 539 CD GLN A 59 5.567 22.440 -14.744 1.00 90.70 C ATOM 540 OE1 GLN A 59 4.720 23.257 -14.351 1.00 96.58 O ATOM 541 NE2 GLN A 59 5.388 21.692 -15.827 1.00 95.26 N ATOM 542 HE22 GLN A 59 6.124 21.019 -16.122 1.00 0.00 H ATOM 543 HE21 GLN A 59 4.512 21.779 -16.380 1.00 0.00 H ATOM 544 H GLN A 59 7.309 21.354 -10.343 1.00 0.00 H ATOM 545 N GLY A 60 5.032 19.457 -10.678 1.00 43.22 N ATOM 546 CA GLY A 60 4.117 18.372 -10.399 1.00 43.46 C ATOM 547 C GLY A 60 2.735 18.866 -10.008 1.00 54.11 C ATOM 548 O GLY A 60 1.739 18.527 -10.649 1.00 60.54 O ATOM 549 H GLY A 60 5.810 19.661 -10.019 1.00 0.00 H ATOM 550 N LEU A 61 2.683 19.711 -8.983 1.00 56.93 N ATOM 551 CA LEU A 61 1.414 20.116 -8.381 1.00 55.46 C ATOM 552 C LEU A 61 0.845 21.433 -8.891 1.00 61.82 C ATOM 553 O LEU A 61 -0.369 21.643 -8.851 1.00 66.48 O ATOM 554 CB LEU A 61 1.566 20.217 -6.865 1.00 52.00 C ATOM 555 CG LEU A 61 1.592 18.927 -6.050 1.00 46.72 C ATOM 556 CD1 LEU A 61 2.884 18.177 -6.253 1.00 45.81 C ATOM 557 CD2 LEU A 61 1.405 19.264 -4.593 1.00 42.15 C ATOM 558 H LEU A 61 3.570 20.095 -8.599 1.00 0.00 H ATOM 559 N GLY A 62 1.728 22.311 -9.355 1.00 60.74 N ATOM 560 CA GLY A 62 1.383 23.687 -9.675 1.00 72.82 C ATOM 561 C GLY A 62 0.086 23.945 -10.425 1.00 82.98 C ATOM 562 O GLY A 62 -0.800 24.640 -9.918 1.00 88.31 O ATOM 563 H GLY A 62 2.710 22.000 -9.496 1.00 0.00 H ATOM 564 N GLY A 63 -0.020 23.398 -11.634 1.00 81.27 N ATOM 565 CA GLY A 63 -1.200 23.585 -12.460 1.00 78.43 C ATOM 566 C GLY A 63 -2.256 22.519 -12.237 1.00 80.72 C ATOM 567 O GLY A 63 -3.345 22.577 -12.809 1.00 83.25 O ATOM 568 H GLY A 63 0.765 22.820 -11.998 1.00 0.00 H TER 569 GLY A 63 ATOM 570 N VAL A 66 -5.180 19.075 -8.947 1.00 40.85 N ATOM 571 CA VAL A 66 -4.339 17.969 -8.485 1.00 47.78 C ATOM 572 C VAL A 66 -4.609 17.545 -7.034 1.00 46.77 C ATOM 573 O VAL A 66 -4.435 18.337 -6.110 1.00 49.11 O ATOM 574 CB VAL A 66 -2.859 18.326 -8.611 1.00 52.67 C ATOM 575 CG1 VAL A 66 -2.004 17.236 -7.993 1.00 49.33 C ATOM 576 CG2 VAL A 66 -2.494 18.552 -10.075 1.00 59.95 C ATOM 577 HN3 VAL A 66 -5.015 19.908 -8.347 1.00 0.00 H ATOM 578 HN2 VAL A 66 -6.180 18.796 -8.888 1.00 0.00 H ATOM 579 HN1 VAL A 66 -4.940 19.303 -9.933 1.00 0.00 H ATOM 580 N ARG A 67 -5.001 16.283 -6.841 1.00 42.49 N ATOM 581 CA ARG A 67 -5.497 15.797 -5.545 1.00 40.28 C ATOM 582 C ARG A 67 -4.876 14.471 -5.079 1.00 39.57 C ATOM 583 O ARG A 67 -4.599 13.597 -5.898 1.00 37.81 O ATOM 584 CB ARG A 67 -7.010 15.630 -5.614 1.00 47.47 C ATOM 585 CG ARG A 67 -7.729 16.759 -6.344 1.00 60.71 C ATOM 586 CD ARG A 67 -9.140 16.341 -6.693 1.00 70.85 C ATOM 587 NE ARG A 67 -9.675 15.458 -5.663 1.00 76.57 N ATOM 588 CZ ARG A 67 -10.421 14.387 -5.907 1.00 79.53 C ATOM 589 NH1 ARG A 67 -10.741 14.068 -7.157 1.00 83.87 N ATOM 590 NH2 ARG A 67 -10.856 13.642 -4.897 1.00 75.37 N ATOM 591 HE ARG A 67 -9.458 15.682 -4.671 1.00 0.00 H ATOM 592 HH12 ARG A 67 -11.325 13.229 -7.346 1.00 0.00 H ATOM 593 HH11 ARG A 67 -10.407 14.658 -7.946 1.00 0.00 H ATOM 594 HH22 ARG A 67 -11.441 12.802 -5.084 1.00 0.00 H ATOM 595 HH21 ARG A 67 -10.612 13.898 -3.919 1.00 0.00 H ATOM 596 H ARG A 67 -4.954 15.618 -7.639 1.00 0.00 H ATOM 597 N ALA A 68 -4.698 14.305 -3.765 1.00 32.46 N ATOM 598 CA ALA A 68 -4.011 13.122 -3.222 1.00 36.13 C ATOM 599 C ALA A 68 -4.599 12.631 -1.899 1.00 36.05 C ATOM 600 O ALA A 68 -4.728 13.406 -0.952 1.00 35.13 O ATOM 601 CB ALA A 68 -2.539 13.423 -3.040 1.00 36.48 C ATOM 602 H ALA A 68 -5.054 15.030 -3.110 1.00 0.00 H ATOM 603 N CYS A 69 -4.954 11.348 -1.830 1.00 25.13 N ATOM 604 CA CYS A 69 -5.486 10.783 -0.586 1.00 28.50 C ATOM 605 C CYS A 69 -4.996 9.364 -0.292 1.00 27.87 C ATOM 606 O CYS A 69 -4.740 8.582 -1.214 1.00 30.09 O ATOM 607 CB CYS A 69 -7.012 10.797 -0.613 1.00 35.52 C ATOM 608 SG CYS A 69 -7.714 10.539 -2.239 1.00 82.46 S ATOM 609 H CYS A 69 -4.852 10.741 -2.668 1.00 0.00 H ATOM 610 N LEU A 70 -4.857 9.044 0.995 1.00 31.10 N ATOM 611 CA LEU A 70 -4.507 7.683 1.424 1.00 28.29 C ATOM 612 C LEU A 70 -5.629 6.718 1.085 1.00 32.46 C ATOM 613 O LEU A 70 -6.803 7.049 1.262 1.00 35.17 O ATOM 614 CB LEU A 70 -4.262 7.615 2.927 1.00 27.20 C ATOM 615 CG LEU A 70 -3.097 8.296 3.618 1.00 32.36 C ATOM 616 CD1 LEU A 70 -3.323 8.215 5.122 1.00 33.33 C ATOM 617 CD2 LEU A 70 -1.797 7.629 3.226 1.00 27.71 C ATOM 618 H LEU A 70 -5.001 9.779 1.716 1.00 0.00 H ATOM 619 N THR A 71 -5.272 5.516 0.643 1.00 30.80 N ATOM 620 CA THR A 71 -6.263 4.492 0.329 1.00 33.62 C ATOM 621 C THR A 71 -6.281 3.388 1.375 1.00 35.36 C ATOM 622 O THR A 71 -7.108 2.476 1.329 1.00 40.35 O ATOM 623 CB THR A 71 -5.999 3.865 -1.032 1.00 36.26 C ATOM 624 OG1 THR A 71 -4.648 3.388 -1.069 1.00 31.56 O ATOM 625 CG2 THR A 71 -6.226 4.891 -2.133 1.00 34.53 C ATOM 626 HG1 THR A 71 -4.468 2.978 -1.952 1.00 0.00 H ATOM 627 H THR A 71 -4.262 5.300 0.518 1.00 0.00 H ATOM 628 N GLY A 72 -5.349 3.475 2.309 1.00 27.36 N ATOM 629 CA GLY A 72 -5.284 2.550 3.409 1.00 31.20 C ATOM 630 C GLY A 72 -4.309 3.129 4.401 1.00 32.78 C ATOM 631 O GLY A 72 -3.654 4.141 4.119 1.00 30.56 O ATOM 632 H GLY A 72 -4.642 4.235 2.247 1.00 0.00 H ATOM 633 N PRO A 73 -4.199 2.484 5.567 1.00 30.56 N ATOM 634 CA PRO A 73 -3.387 2.986 6.683 1.00 22.56 C ATOM 635 C PRO A 73 -1.894 3.085 6.348 1.00 28.92 C ATOM 636 O PRO A 73 -1.365 2.375 5.476 1.00 25.66 O ATOM 637 CB PRO A 73 -3.625 1.947 7.788 1.00 24.50 C ATOM 638 CG PRO A 73 -4.105 0.694 7.061 1.00 22.05 C ATOM 639 CD PRO A 73 -4.810 1.163 5.835 1.00 25.11 C ATOM 640 N VAL A 74 -1.209 3.983 7.036 1.00 25.11 N ATOM 641 CA VAL A 74 0.243 4.033 6.936 1.00 21.12 C ATOM 642 C VAL A 74 0.758 2.801 7.668 1.00 20.21 C ATOM 643 O VAL A 74 0.232 2.438 8.721 1.00 20.14 O ATOM 644 CB VAL A 74 0.831 5.346 7.545 1.00 35.71 C ATOM 645 CG1 VAL A 74 2.351 5.384 7.455 1.00 15.14 C ATOM 646 CG2 VAL A 74 0.251 6.558 6.842 1.00 30.20 C ATOM 647 H VAL A 74 -1.709 4.656 7.651 1.00 0.00 H ATOM 648 N ARG A 75 1.755 2.145 7.085 1.00 26.21 N ATOM 649 CA ARG A 75 2.477 1.048 7.718 1.00 34.62 C ATOM 650 C ARG A 75 3.817 1.597 8.221 1.00 31.78 C ATOM 651 O ARG A 75 4.622 2.053 7.424 1.00 23.35 O ATOM 652 CB ARG A 75 2.693 -0.111 6.730 1.00 16.43 C ATOM 653 CG ARG A 75 1.471 -1.035 6.541 1.00 16.94 C ATOM 654 CD ARG A 75 0.297 -0.408 5.748 1.00 23.59 C ATOM 655 NE ARG A 75 -0.529 -1.477 5.169 1.00 20.54 N ATOM 656 CZ ARG A 75 -1.586 -1.302 4.381 1.00 27.39 C ATOM 657 NH1 ARG A 75 -2.018 -0.086 4.066 1.00 15.97 N ATOM 658 NH2 ARG A 75 -2.236 -2.365 3.924 1.00 25.21 N ATOM 659 HE ARG A 75 -0.263 -2.457 5.395 1.00 0.00 H ATOM 660 HH12 ARG A 75 -2.847 0.028 3.448 1.00 0.00 H ATOM 661 HH11 ARG A 75 -1.527 0.753 4.437 1.00 0.00 H ATOM 662 HH22 ARG A 75 -3.064 -2.243 3.307 1.00 0.00 H ATOM 663 HH21 ARG A 75 -1.917 -3.320 4.183 1.00 0.00 H ATOM 664 H ARG A 75 2.036 2.429 6.125 1.00 0.00 H ATOM 665 N ALA A 76 4.054 1.579 9.530 1.00 31.50 N ATOM 666 CA ALA A 76 5.278 2.181 10.058 1.00 31.54 C ATOM 667 C ALA A 76 6.171 1.144 10.700 1.00 29.83 C ATOM 668 O ALA A 76 5.680 0.147 11.204 1.00 37.11 O ATOM 669 CB ALA A 76 4.943 3.274 11.069 1.00 35.03 C ATOM 670 H ALA A 76 3.370 1.137 10.177 1.00 0.00 H ATOM 671 N SER A 77 7.480 1.384 10.682 1.00 28.32 N ATOM 672 CA SER A 77 8.432 0.522 11.375 1.00 37.05 C ATOM 673 C SER A 77 8.963 1.185 12.631 1.00 43.17 C ATOM 674 O SER A 77 8.560 2.299 12.975 1.00 41.10 O ATOM 675 CB SER A 77 9.613 0.185 10.479 1.00 45.40 C ATOM 676 OG SER A 77 10.606 1.188 10.633 1.00 41.22 O ATOM 677 HG SER A 77 11.380 0.977 10.053 1.00 0.00 H ATOM 678 H SER A 77 7.835 2.210 10.159 1.00 0.00 H ATOM 679 N HIS A 78 9.899 0.510 13.293 1.00 41.69 N ATOM 680 CA HIS A 78 10.523 1.061 14.487 1.00 44.85 C ATOM 681 C HIS A 78 11.909 1.634 14.221 1.00 46.47 C ATOM 682 O HIS A 78 12.603 2.023 15.156 1.00 53.77 O ATOM 683 CB HIS A 78 10.611 -0.007 15.586 1.00 48.04 C ATOM 684 CG HIS A 78 9.277 -0.442 16.091 1.00 52.69 C ATOM 685 ND1 HIS A 78 8.361 0.442 16.622 1.00 53.22 N ATOM 686 CD2 HIS A 78 8.678 -1.655 16.111 1.00 59.19 C ATOM 687 CE1 HIS A 78 7.267 -0.209 16.961 1.00 54.34 C ATOM 688 NE2 HIS A 78 7.432 -1.484 16.661 1.00 62.18 N ATOM 689 H HIS A 78 10.190 -0.428 12.951 1.00 0.00 H ATOM 690 N ASN A 79 12.335 1.676 12.967 1.00 41.34 N ATOM 691 CA ASN A 79 13.635 2.278 12.686 1.00 48.57 C ATOM 692 C ASN A 79 13.503 3.510 11.782 1.00 35.27 C ATOM 693 O ASN A 79 14.393 3.816 10.983 1.00 30.66 O ATOM 694 CB ASN A 79 14.598 1.249 12.079 1.00 55.59 C ATOM 695 CG ASN A 79 14.153 0.756 10.717 1.00 58.45 C ATOM 696 OD1 ASN A 79 12.962 0.729 10.414 1.00 51.74 O ATOM 697 ND2 ASN A 79 15.113 0.354 9.889 1.00 62.63 N ATOM 698 HD22 ASN A 79 16.108 0.395 10.188 1.00 0.00 H ATOM 699 HD21 ASN A 79 14.868 -0.001 8.943 1.00 0.00 H ATOM 700 H ASN A 79 11.754 1.287 12.197 1.00 0.00 H ATOM 701 N GLY A 80 12.382 4.212 11.929 1.00 33.51 N ATOM 702 CA GLY A 80 12.200 5.518 11.329 1.00 33.75 C ATOM 703 C GLY A 80 11.748 5.475 9.897 1.00 38.51 C ATOM 704 O GLY A 80 11.857 6.469 9.175 1.00 38.82 O ATOM 705 H GLY A 80 11.609 3.808 12.495 1.00 0.00 H ATOM 706 N CYS A 81 11.232 4.326 9.472 1.00 32.72 N ATOM 707 CA CYS A 81 10.730 4.218 8.114 1.00 19.77 C ATOM 708 C CYS A 81 9.247 3.893 8.131 1.00 21.44 C ATOM 709 O CYS A 81 8.687 3.549 9.175 1.00 27.54 O ATOM 710 CB CYS A 81 11.521 3.176 7.333 1.00 20.09 C ATOM 711 SG CYS A 81 13.315 3.308 7.571 1.00 67.80 S ATOM 712 H CYS A 81 11.188 3.506 10.111 1.00 0.00 H ATOM 713 N GLY A 82 8.602 4.053 6.986 1.00 16.89 N ATOM 714 CA GLY A 82 7.177 3.797 6.869 1.00 23.98 C ATOM 715 C GLY A 82 6.799 3.691 5.401 1.00 20.42 C ATOM 716 O GLY A 82 7.606 3.992 4.534 1.00 17.01 O ATOM 717 H GLY A 82 9.130 4.370 6.148 1.00 0.00 H ATOM 718 N ALA A 83 5.585 3.250 5.106 1.00 15.66 N ATOM 719 CA ALA A 83 5.168 3.083 3.712 1.00 17.62 C ATOM 720 C ALA A 83 3.681 3.291 3.633 1.00 14.16 C ATOM 721 O ALA A 83 2.967 2.922 4.567 1.00 17.03 O ATOM 722 CB ALA A 83 5.551 1.677 3.180 1.00 23.33 C ATOM 723 H ALA A 83 4.921 3.020 5.873 1.00 0.00 H ATOM 724 N MET A 84 3.180 3.857 2.538 1.00 12.42 N ATOM 725 CA MET A 84 1.734 4.050 2.466 1.00 12.38 C ATOM 726 C MET A 84 1.136 3.956 1.068 1.00 14.97 C ATOM 727 O MET A 84 1.779 4.331 0.076 1.00 21.04 O ATOM 728 CB MET A 84 1.390 5.410 3.055 1.00 21.00 C ATOM 729 CG MET A 84 2.084 6.533 2.351 1.00 20.86 C ATOM 730 SD MET A 84 1.851 8.151 3.153 1.00 42.59 S ATOM 731 CE MET A 84 2.985 9.126 2.159 1.00 26.39 C ATOM 732 H MET A 84 3.799 4.153 1.757 1.00 0.00 H ATOM 733 N PRO A 85 -0.113 3.474 0.982 1.00 19.92 N ATOM 734 CA PRO A 85 -0.785 3.456 -0.311 1.00 25.39 C ATOM 735 C PRO A 85 -1.579 4.732 -0.482 1.00 13.44 C ATOM 736 O PRO A 85 -2.376 5.130 0.380 1.00 22.64 O ATOM 737 CB PRO A 85 -1.719 2.243 -0.212 1.00 18.62 C ATOM 738 CG PRO A 85 -2.122 2.223 1.273 1.00 16.81 C ATOM 739 CD PRO A 85 -0.980 2.923 2.051 1.00 17.75 C ATOM 740 N PHE A 86 -1.415 5.379 -1.616 1.00 13.51 N ATOM 741 CA PHE A 86 -2.342 6.452 -1.869 1.00 14.29 C ATOM 742 C PHE A 86 -2.638 6.525 -3.331 1.00 21.08 C ATOM 743 O PHE A 86 -2.065 5.779 -4.130 1.00 19.10 O ATOM 744 CB PHE A 86 -1.808 7.800 -1.327 1.00 13.96 C ATOM 745 CG PHE A 86 -0.484 8.226 -1.905 1.00 24.00 C ATOM 746 CD1 PHE A 86 0.701 7.654 -1.465 1.00 30.06 C ATOM 747 CD2 PHE A 86 -0.417 9.234 -2.846 1.00 27.94 C ATOM 748 CE1 PHE A 86 1.934 8.053 -1.980 1.00 22.36 C ATOM 749 CE2 PHE A 86 0.809 9.642 -3.367 1.00 27.45 C ATOM 750 CZ PHE A 86 1.985 9.044 -2.926 1.00 30.45 C ATOM 751 H PHE A 86 -0.662 5.131 -2.289 1.00 0.00 H ATOM 752 N ARG A 87 -3.573 7.410 -3.655 1.00 19.22 N ATOM 753 CA ARG A 87 -3.997 7.642 -5.017 1.00 27.68 C ATOM 754 C ARG A 87 -3.884 9.117 -5.328 1.00 20.53 C ATOM 755 O ARG A 87 -4.330 9.964 -4.538 1.00 18.47 O ATOM 756 CB ARG A 87 -5.437 7.179 -5.231 1.00 31.11 C ATOM 757 CG ARG A 87 -5.978 7.575 -6.589 1.00 41.33 C ATOM 758 CD ARG A 87 -7.306 6.916 -6.847 1.00 50.93 C ATOM 759 NE ARG A 87 -7.194 5.471 -6.731 1.00 62.86 N ATOM 760 CZ ARG A 87 -8.155 4.621 -7.072 1.00 78.20 C ATOM 761 NH1 ARG A 87 -9.303 5.080 -7.559 1.00 82.44 N ATOM 762 NH2 ARG A 87 -7.966 3.314 -6.931 1.00 81.58 N ATOM 763 HE ARG A 87 -6.306 5.079 -6.358 1.00 0.00 H ATOM 764 HH12 ARG A 87 -10.057 4.416 -7.827 1.00 0.00 H ATOM 765 HH11 ARG A 87 -9.447 6.104 -7.672 1.00 0.00 H ATOM 766 HH22 ARG A 87 -8.719 2.648 -7.198 1.00 0.00 H ATOM 767 HH21 ARG A 87 -7.065 2.957 -6.553 1.00 0.00 H ATOM 768 H ARG A 87 -4.020 7.961 -2.895 1.00 0.00 H ATOM 769 N VAL A 88 -3.272 9.425 -6.464 1.00 20.80 N ATOM 770 CA VAL A 88 -3.178 10.802 -6.918 1.00 27.02 C ATOM 771 C VAL A 88 -4.171 10.994 -8.041 1.00 35.99 C ATOM 772 O VAL A 88 -4.299 10.125 -8.898 1.00 37.59 O ATOM 773 CB VAL A 88 -1.777 11.137 -7.414 1.00 30.77 C ATOM 774 CG1 VAL A 88 -1.730 12.565 -7.897 1.00 24.84 C ATOM 775 CG2 VAL A 88 -0.755 10.896 -6.313 1.00 29.27 C ATOM 776 H VAL A 88 -2.852 8.667 -7.040 1.00 0.00 H ATOM 777 N GLU A 89 -4.893 12.110 -8.031 1.00 23.49 N ATOM 778 CA GLU A 89 -5.792 12.442 -9.140 1.00 36.36 C ATOM 779 C GLU A 89 -5.472 13.805 -9.772 1.00 42.38 C ATOM 780 O GLU A 89 -4.978 14.713 -9.107 1.00 46.22 O ATOM 781 CB GLU A 89 -7.245 12.409 -8.677 1.00 44.55 C ATOM 782 CG GLU A 89 -7.737 11.019 -8.321 1.00 58.84 C ATOM 783 CD GLU A 89 -9.241 10.972 -8.118 1.00 78.40 C ATOM 784 OE1 GLU A 89 -9.980 11.530 -8.963 1.00 81.49 O ATOM 785 OE2 GLU A 89 -9.684 10.375 -7.112 1.00 86.24 O ATOM 786 H GLU A 89 -4.819 12.759 -7.222 1.00 0.00 H ATOM 787 N MET A 90 -5.776 13.953 -11.058 1.00 49.85 N ATOM 788 CA MET A 90 -5.205 15.050 -11.831 1.00 53.95 C ATOM 789 C MET A 90 -5.828 15.246 -13.205 1.00 60.02 C ATOM 790 O MET A 90 -6.826 14.611 -13.545 1.00 63.84 O ATOM 791 CB MET A 90 -3.722 14.794 -12.015 1.00 55.82 C ATOM 792 CG MET A 90 -3.495 13.464 -12.712 1.00 62.01 C ATOM 793 SD MET A 90 -2.025 12.600 -12.168 1.00143.45 S ATOM 794 CE MET A 90 -0.809 13.833 -12.601 1.00 34.07 C ATOM 795 H MET A 90 -6.425 13.282 -11.516 1.00 0.00 H ATOM 796 N VAL A 91 -5.209 16.125 -13.992 1.00 61.89 N ATOM 797 CA VAL A 91 -5.591 16.336 -15.385 1.00 66.33 C ATOM 798 C VAL A 91 -4.360 16.424 -16.291 1.00 69.77 C ATOM 799 O VAL A 91 -3.238 16.631 -15.820 1.00 68.55 O ATOM 800 CB VAL A 91 -6.432 17.611 -15.560 1.00 62.26 C ATOM 801 CG1 VAL A 91 -6.509 17.974 -17.025 1.00 68.95 C ATOM 802 CG2 VAL A 91 -7.829 17.416 -14.979 1.00 58.30 C ATOM 803 H VAL A 91 -4.424 16.682 -13.599 1.00 0.00 H TER 804 VAL A 91 ATOM 805 N PRO A 96 -7.495 14.397 -17.170 1.00 74.05 N ATOM 806 CA PRO A 96 -8.552 13.798 -16.350 1.00 73.26 C ATOM 807 C PRO A 96 -8.279 12.327 -16.010 1.00 73.65 C ATOM 808 O PRO A 96 -8.834 11.438 -16.648 1.00 83.22 O ATOM 809 CB PRO A 96 -9.805 13.936 -17.229 1.00 76.98 C ATOM 810 CG PRO A 96 -9.293 14.220 -18.608 1.00 78.66 C ATOM 811 CD PRO A 96 -8.019 14.953 -18.424 1.00 76.43 C ATOM 812 HN2 PRO A 96 -6.790 13.666 -17.395 1.00 0.00 H ATOM 813 HN1 PRO A 96 -7.041 15.160 -16.628 1.00 0.00 H ATOM 814 N CYS A 97 -7.481 12.072 -14.977 1.00 67.63 N ATOM 815 CA CYS A 97 -7.080 10.704 -14.661 1.00 61.99 C ATOM 816 C CYS A 97 -6.723 10.463 -13.190 1.00 57.55 C ATOM 817 O CYS A 97 -6.984 11.288 -12.313 1.00 53.10 O ATOM 818 CB CYS A 97 -5.905 10.306 -15.547 1.00 59.82 C ATOM 819 SG CYS A 97 -4.532 11.453 -15.441 1.00 82.85 S ATOM 820 H CYS A 97 -7.138 12.857 -14.387 1.00 0.00 H ATOM 821 N ALA A 98 -6.138 9.298 -12.934 1.00 51.76 N ATOM 822 CA ALA A 98 -5.887 8.844 -11.574 1.00 42.58 C ATOM 823 C ALA A 98 -4.731 7.862 -11.542 1.00 44.83 C ATOM 824 O ALA A 98 -4.483 7.126 -12.494 1.00 51.15 O ATOM 825 CB ALA A 98 -7.137 8.213 -10.988 1.00 38.79 C ATOM 826 H ALA A 98 -5.851 8.692 -13.729 1.00 0.00 H ATOM 827 N LEU A 99 -4.030 7.839 -10.427 1.00 38.19 N ATOM 828 CA LEU A 99 -2.801 7.093 -10.351 1.00 33.02 C ATOM 829 C LEU A 99 -2.616 6.469 -8.977 1.00 37.26 C ATOM 830 O LEU A 99 -2.589 7.191 -7.986 1.00 38.15 O ATOM 831 CB LEU A 99 -1.631 8.007 -10.666 1.00 21.35 C ATOM 832 CG LEU A 99 -0.285 7.313 -10.506 1.00 39.47 C ATOM 833 CD1 LEU A 99 -0.086 6.250 -11.610 1.00 37.59 C ATOM 834 CD2 LEU A 99 0.838 8.329 -10.502 1.00 27.01 C ATOM 835 H LEU A 99 -4.367 8.364 -9.595 1.00 0.00 H ATOM 836 N ASP A 100 -2.487 5.137 -8.922 1.00 21.27 N ATOM 837 CA ASP A 100 -2.294 4.440 -7.648 1.00 18.07 C ATOM 838 C ASP A 100 -0.804 4.397 -7.306 1.00 20.68 C ATOM 839 O ASP A 100 0.037 4.069 -8.139 1.00 19.14 O ATOM 840 CB ASP A 100 -2.880 3.033 -7.699 1.00 43.70 C ATOM 841 CG ASP A 100 -4.402 3.031 -7.631 1.00 57.33 C ATOM 842 OD1 ASP A 100 -4.961 3.750 -6.771 1.00 63.78 O ATOM 843 OD2 ASP A 100 -5.040 2.317 -8.442 1.00 59.18 O ATOM 844 H ASP A 100 -2.525 4.586 -9.803 1.00 0.00 H ATOM 845 N VAL A 101 -0.476 4.766 -6.080 1.00 21.82 N ATOM 846 CA VAL A 101 0.914 4.950 -5.677 1.00 14.25 C ATOM 847 C VAL A 101 1.170 4.396 -4.289 1.00 20.14 C ATOM 848 O VAL A 101 0.291 4.439 -3.420 1.00 21.33 O ATOM 849 CB VAL A 101 1.317 6.459 -5.650 1.00 24.04 C ATOM 850 CG1 VAL A 101 2.827 6.606 -5.477 1.00 20.08 C ATOM 851 CG2 VAL A 101 0.853 7.197 -6.919 1.00 31.56 C ATOM 852 H VAL A 101 -1.230 4.930 -5.383 1.00 0.00 H ATOM 853 N ILE A 102 2.391 3.918 -4.090 1.00 12.95 N ATOM 854 CA ILE A 102 2.924 3.535 -2.795 1.00 12.41 C ATOM 855 C ILE A 102 4.269 4.239 -2.586 1.00 12.09 C ATOM 856 O ILE A 102 5.206 4.044 -3.360 1.00 19.47 O ATOM 857 CB ILE A 102 3.090 1.996 -2.679 1.00 12.88 C ATOM 858 CG1 ILE A 102 1.771 1.367 -2.206 1.00 19.74 C ATOM 859 CG2 ILE A 102 4.248 1.609 -1.700 1.00 14.54 C ATOM 860 CD1 ILE A 102 1.827 -0.119 -1.988 1.00 13.98 C ATOM 861 H ILE A 102 3.010 3.810 -4.919 1.00 0.00 H ATOM 862 N ASP A 103 4.323 5.107 -1.578 1.00 16.30 N ATOM 863 CA ASP A 103 5.549 5.792 -1.154 1.00 22.72 C ATOM 864 C ASP A 103 6.254 5.055 -0.007 1.00 27.94 C ATOM 865 O ASP A 103 5.604 4.658 0.953 1.00 23.37 O ATOM 866 CB ASP A 103 5.235 7.213 -0.678 1.00 31.85 C ATOM 867 CG ASP A 103 5.443 8.256 -1.749 1.00 48.62 C ATOM 868 OD1 ASP A 103 5.107 7.998 -2.920 1.00 49.84 O ATOM 869 OD2 ASP A 103 5.949 9.345 -1.409 1.00 60.44 O ATOM 870 H ASP A 103 3.444 5.311 -1.061 1.00 0.00 H ATOM 871 N VAL A 104 7.576 4.927 -0.082 1.00 24.40 N ATOM 872 CA VAL A 104 8.357 4.404 1.023 1.00 16.26 C ATOM 873 C VAL A 104 9.339 5.453 1.533 1.00 27.81 C ATOM 874 O VAL A 104 10.186 5.936 0.778 1.00 27.18 O ATOM 875 CB VAL A 104 9.128 3.148 0.609 1.00 26.30 C ATOM 876 CG1 VAL A 104 10.201 2.829 1.633 1.00 25.88 C ATOM 877 CG2 VAL A 104 8.170 1.982 0.457 1.00 25.02 C ATOM 878 H VAL A 104 8.063 5.210 -0.957 1.00 0.00 H ATOM 879 N MET A 105 9.238 5.806 2.814 1.00 28.19 N ATOM 880 CA MET A 105 10.022 6.926 3.343 1.00 24.25 C ATOM 881 C MET A 105 10.909 6.594 4.528 1.00 27.60 C ATOM 882 O MET A 105 10.457 5.976 5.474 1.00 24.07 O ATOM 883 CB MET A 105 9.086 8.046 3.772 1.00 36.49 C ATOM 884 CG MET A 105 8.305 8.685 2.654 1.00 41.63 C ATOM 885 SD MET A 105 7.373 10.079 3.314 1.00 52.53 S ATOM 886 CE MET A 105 6.955 10.931 1.797 1.00 70.88 C ATOM 887 H MET A 105 8.597 5.282 3.444 1.00 0.00 H ATOM 888 N ARG A 106 12.157 7.044 4.511 1.00 17.39 N ATOM 889 CA ARG A 106 12.984 6.942 5.707 1.00 19.24 C ATOM 890 C ARG A 106 13.207 8.328 6.301 1.00 32.10 C ATOM 891 O ARG A 106 13.567 9.268 5.586 1.00 27.82 O ATOM 892 CB ARG A 106 14.326 6.291 5.407 1.00 20.69 C ATOM 893 CG ARG A 106 15.449 6.857 6.224 1.00 51.72 C ATOM 894 CD ARG A 106 16.708 6.046 6.096 1.00 58.40 C ATOM 895 NE ARG A 106 16.751 5.003 7.110 1.00 71.90 N ATOM 896 CZ ARG A 106 16.705 3.706 6.838 1.00 77.74 C ATOM 897 NH1 ARG A 106 16.618 3.302 5.576 1.00 78.87 N ATOM 898 NH2 ARG A 106 16.746 2.816 7.826 1.00 77.73 N ATOM 899 HE ARG A 106 16.822 5.292 8.107 1.00 0.00 H ATOM 900 HH12 ARG A 106 16.582 2.286 5.357 1.00 0.00 H ATOM 901 HH11 ARG A 106 16.586 4.002 4.807 1.00 0.00 H ATOM 902 HH22 ARG A 106 16.710 1.799 7.612 1.00 0.00 H ATOM 903 HH21 ARG A 106 16.814 3.137 8.813 1.00 0.00 H ATOM 904 H ARG A 106 12.545 7.469 3.645 1.00 0.00 H ATOM 905 N PHE A 107 12.996 8.438 7.610 1.00 34.99 N ATOM 906 CA PHE A 107 13.135 9.690 8.339 1.00 27.70 C ATOM 907 C PHE A 107 14.432 9.740 9.097 1.00 32.70 C ATOM 908 O PHE A 107 14.921 8.719 9.556 1.00 34.64 O ATOM 909 CB PHE A 107 11.978 9.869 9.313 1.00 26.46 C ATOM 910 CG PHE A 107 10.660 10.095 8.644 1.00 32.68 C ATOM 911 CD1 PHE A 107 9.908 9.031 8.183 1.00 30.81 C ATOM 912 CD2 PHE A 107 10.174 11.378 8.471 1.00 38.49 C ATOM 913 CE1 PHE A 107 8.695 9.240 7.561 1.00 37.81 C ATOM 914 CE2 PHE A 107 8.958 11.597 7.859 1.00 29.30 C ATOM 915 CZ PHE A 107 8.215 10.521 7.398 1.00 38.71 C ATOM 916 H PHE A 107 12.718 7.587 8.139 1.00 0.00 H ATOM 917 N ASP A 108 14.983 10.941 9.223 1.00 39.35 N ATOM 918 CA ASP A 108 16.205 11.174 9.983 1.00 47.65 C ATOM 919 C ASP A 108 15.926 11.480 11.458 1.00 52.34 C ATOM 920 O ASP A 108 14.778 11.469 11.911 1.00 30.15 O ATOM 921 CB ASP A 108 17.014 12.328 9.363 1.00 63.49 C ATOM 922 CG ASP A 108 16.253 13.677 9.355 1.00 71.60 C ATOM 923 OD1 ASP A 108 15.356 13.926 10.193 1.00 68.04 O ATOM 924 OD2 ASP A 108 16.585 14.518 8.496 1.00 80.68 O ATOM 925 H ASP A 108 14.523 11.751 8.760 1.00 0.00 H ATOM 926 N GLU A 109 16.988 11.798 12.189 1.00 51.91 N ATOM 927 CA GLU A 109 16.903 12.055 13.623 1.00 58.60 C ATOM 928 C GLU A 109 16.362 13.445 13.944 1.00 63.19 C ATOM 929 O GLU A 109 16.515 13.919 15.065 1.00 68.81 O ATOM 930 CB GLU A 109 18.280 11.884 14.266 1.00 70.88 C ATOM 931 CG GLU A 109 19.365 12.740 13.629 1.00 82.66 C ATOM 932 CD GLU A 109 19.904 12.141 12.341 1.00 92.95 C ATOM 933 OE1 GLU A 109 20.179 10.922 12.324 1.00 97.87 O ATOM 934 OE2 GLU A 109 20.032 12.882 11.342 1.00 95.53 O ATOM 935 H GLU A 109 17.915 11.866 11.722 1.00 0.00 H ATOM 936 N HIS A 110 15.755 14.104 12.959 1.00 61.32 N ATOM 937 CA HIS A 110 15.148 15.418 13.170 1.00 56.40 C ATOM 938 C HIS A 110 13.694 15.404 12.776 1.00 46.24 C ATOM 939 O HIS A 110 13.023 16.436 12.778 1.00 43.79 O ATOM 940 CB HIS A 110 15.890 16.489 12.384 1.00 59.16 C ATOM 941 CG HIS A 110 17.308 16.646 12.810 1.00 68.63 C ATOM 942 ND1 HIS A 110 18.372 16.480 11.945 1.00 73.29 N ATOM 943 CD2 HIS A 110 17.850 16.929 14.017 1.00 77.00 C ATOM 944 CE1 HIS A 110 19.499 16.662 12.600 1.00 79.72 C ATOM 945 NE2 HIS A 110 19.212 16.938 13.863 1.00 83.41 N ATOM 946 H HIS A 110 15.711 13.673 12.014 1.00 0.00 H ATOM 947 N GLY A 111 13.217 14.215 12.434 1.00 36.52 N ATOM 948 CA GLY A 111 11.867 14.054 11.942 1.00 34.08 C ATOM 949 C GLY A 111 11.718 14.481 10.494 1.00 34.42 C ATOM 950 O GLY A 111 10.598 14.649 10.000 1.00 36.47 O ATOM 951 H GLY A 111 13.828 13.378 12.522 1.00 0.00 H ATOM 952 N ARG A 112 12.830 14.659 9.790 1.00 33.14 N ATOM 953 CA ARG A 112 12.717 15.032 8.384 1.00 24.62 C ATOM 954 C ARG A 112 12.980 13.841 7.472 1.00 24.45 C ATOM 955 O ARG A 112 13.597 12.868 7.877 1.00 23.59 O ATOM 956 CB ARG A 112 13.666 16.187 8.070 1.00 32.70 C ATOM 957 CG ARG A 112 13.135 17.534 8.571 1.00 35.17 C ATOM 958 CD ARG A 112 13.955 18.677 8.052 1.00 46.26 C ATOM 959 NE ARG A 112 15.025 19.029 8.976 1.00 60.36 N ATOM 960 CZ ARG A 112 14.878 19.873 9.989 1.00 65.00 C ATOM 961 NH1 ARG A 112 13.701 20.445 10.208 1.00 66.55 N ATOM 962 NH2 ARG A 112 15.904 20.136 10.787 1.00 65.24 N ATOM 963 HE ARG A 112 15.958 18.593 8.833 1.00 0.00 H ATOM 964 HH12 ARG A 112 13.584 21.107 11.002 1.00 0.00 H ATOM 965 HH11 ARG A 112 12.895 20.232 9.586 1.00 0.00 H ATOM 966 HH22 ARG A 112 15.789 20.798 11.581 1.00 0.00 H ATOM 967 HH21 ARG A 112 16.824 19.681 10.619 1.00 0.00 H ATOM 968 H ARG A 112 13.763 14.535 10.232 1.00 0.00 H ATOM 969 N ILE A 113 12.493 13.930 6.240 1.00 26.42 N ATOM 970 CA ILE A 113 12.589 12.841 5.287 1.00 24.28 C ATOM 971 C ILE A 113 13.946 12.805 4.651 1.00 22.42 C ATOM 972 O ILE A 113 14.362 13.757 3.994 1.00 33.64 O ATOM 973 CB ILE A 113 11.569 12.983 4.201 1.00 18.23 C ATOM 974 CG1 ILE A 113 10.170 12.832 4.791 1.00 19.99 C ATOM 975 CG2 ILE A 113 11.827 11.976 3.105 1.00 24.31 C ATOM 976 CD1 ILE A 113 9.106 13.125 3.789 1.00 16.27 C ATOM 977 H ILE A 113 12.026 14.812 5.948 1.00 0.00 H ATOM 978 N GLN A 114 14.652 11.711 4.844 1.00 21.38 N ATOM 979 CA GLN A 114 15.983 11.614 4.274 1.00 22.68 C ATOM 980 C GLN A 114 15.936 10.951 2.896 1.00 32.55 C ATOM 981 O GLN A 114 16.656 11.347 1.976 1.00 30.66 O ATOM 982 CB GLN A 114 16.913 10.854 5.213 1.00 33.77 C ATOM 983 CG GLN A 114 18.366 10.973 4.820 1.00 50.10 C ATOM 984 CD GLN A 114 19.297 10.857 6.008 1.00 70.17 C ATOM 985 OE1 GLN A 114 18.920 10.330 7.057 1.00 79.71 O ATOM 986 NE2 GLN A 114 20.523 11.356 5.854 1.00 72.97 N ATOM 987 HE22 GLN A 114 20.797 11.792 4.950 1.00 0.00 H ATOM 988 HE21 GLN A 114 21.205 11.310 6.637 1.00 0.00 H ATOM 989 H GLN A 114 14.260 10.924 5.399 1.00 0.00 H ATOM 990 N THR A 115 15.063 9.961 2.747 1.00 37.49 N ATOM 991 CA THR A 115 14.927 9.248 1.486 1.00 39.30 C ATOM 992 C THR A 115 13.468 8.985 1.199 1.00 31.65 C ATOM 993 O THR A 115 12.714 8.627 2.086 1.00 30.00 O ATOM 994 CB THR A 115 15.707 7.913 1.503 1.00 51.44 C ATOM 995 OG1 THR A 115 17.110 8.189 1.509 1.00 54.32 O ATOM 996 CG2 THR A 115 15.390 7.069 0.282 1.00 52.43 C ATOM 997 HG1 THR A 115 17.347 8.703 0.697 1.00 0.00 H ATOM 998 H THR A 115 14.462 9.689 3.551 1.00 0.00 H ATOM 999 N MET A 116 13.067 9.187 -0.046 1.00 31.56 N ATOM 1000 CA MET A 116 11.720 8.859 -0.466 1.00 26.21 C ATOM 1001 C MET A 116 11.800 8.120 -1.801 1.00 28.25 C ATOM 1002 O MET A 116 12.452 8.579 -2.742 1.00 26.23 O ATOM 1003 CB MET A 116 10.869 10.125 -0.574 1.00 31.11 C ATOM 1004 CG MET A 116 9.383 9.878 -0.705 1.00 30.32 C ATOM 1005 SD MET A 116 8.798 10.032 -2.401 1.00139.12 S ATOM 1006 CE MET A 116 8.610 11.804 -2.538 1.00 85.23 C ATOM 1007 H MET A 116 13.732 9.589 -0.737 1.00 0.00 H ATOM 1008 N GLN A 117 11.188 6.943 -1.854 1.00 22.07 N ATOM 1009 CA GLN A 117 11.046 6.198 -3.091 1.00 26.01 C ATOM 1010 C GLN A 117 9.563 6.002 -3.353 1.00 21.58 C ATOM 1011 O GLN A 117 8.850 5.523 -2.484 1.00 24.63 O ATOM 1012 CB GLN A 117 11.760 4.849 -3.006 1.00 25.88 C ATOM 1013 CG GLN A 117 13.140 4.931 -2.404 1.00 42.99 C ATOM 1014 CD GLN A 117 13.556 3.621 -1.770 1.00 58.65 C ATOM 1015 OE1 GLN A 117 14.400 2.898 -2.303 1.00 63.87 O ATOM 1016 NE2 GLN A 117 12.951 3.299 -0.630 1.00 64.45 N ATOM 1017 HE22 GLN A 117 12.245 3.941 -0.217 1.00 0.00 H ATOM 1018 HE21 GLN A 117 13.184 2.405 -0.152 1.00 0.00 H ATOM 1019 H GLN A 117 10.797 6.541 -0.978 1.00 0.00 H ATOM 1020 N ALA A 118 9.100 6.381 -4.540 1.00 13.83 N ATOM 1021 CA ALA A 118 7.705 6.162 -4.921 1.00 21.57 C ATOM 1022 C ALA A 118 7.593 5.029 -5.937 1.00 25.19 C ATOM 1023 O ALA A 118 8.278 5.036 -6.962 1.00 33.86 O ATOM 1024 CB ALA A 118 7.103 7.434 -5.485 1.00 25.05 C ATOM 1025 H ALA A 118 9.744 6.844 -5.213 1.00 0.00 H ATOM 1026 N PHE A 119 6.733 4.055 -5.642 1.00 16.76 N ATOM 1027 CA PHE A 119 6.502 2.912 -6.524 1.00 14.77 C ATOM 1028 C PHE A 119 5.228 3.116 -7.340 1.00 21.99 C ATOM 1029 O PHE A 119 4.144 3.273 -6.779 1.00 15.26 O ATOM 1030 CB PHE A 119 6.380 1.601 -5.712 1.00 20.91 C ATOM 1031 CG PHE A 119 7.655 1.190 -4.998 1.00 25.24 C ATOM 1032 CD1 PHE A 119 8.060 1.835 -3.827 1.00 24.65 C ATOM 1033 CD2 PHE A 119 8.427 0.150 -5.485 1.00 20.54 C ATOM 1034 CE1 PHE A 119 9.226 1.465 -3.167 1.00 21.40 C ATOM 1035 CE2 PHE A 119 9.588 -0.230 -4.828 1.00 29.75 C ATOM 1036 CZ PHE A 119 9.986 0.429 -3.662 1.00 28.46 C ATOM 1037 H PHE A 119 6.205 4.110 -4.748 1.00 0.00 H ATOM 1038 N TRP A 120 5.364 3.093 -8.659 1.00 18.80 N ATOM 1039 CA TRP A 120 4.232 3.162 -9.562 1.00 19.07 C ATOM 1040 C TRP A 120 4.735 3.041 -10.979 1.00 24.58 C ATOM 1041 O TRP A 120 5.922 3.189 -11.241 1.00 21.64 O ATOM 1042 CB TRP A 120 3.443 4.465 -9.410 1.00 28.99 C ATOM 1043 CG TRP A 120 4.230 5.678 -9.732 1.00 26.08 C ATOM 1044 CD1 TRP A 120 5.032 6.390 -8.879 1.00 21.59 C ATOM 1045 CD2 TRP A 120 4.302 6.341 -11.002 1.00 18.61 C ATOM 1046 NE1 TRP A 120 5.601 7.448 -9.547 1.00 18.08 N ATOM 1047 CE2 TRP A 120 5.165 7.444 -10.847 1.00 21.94 C ATOM 1048 CE3 TRP A 120 3.714 6.113 -12.247 1.00 25.45 C ATOM 1049 CZ2 TRP A 120 5.465 8.311 -11.896 1.00 25.74 C ATOM 1050 CZ3 TRP A 120 4.017 6.983 -13.301 1.00 29.27 C ATOM 1051 CH2 TRP A 120 4.879 8.065 -13.112 1.00 27.61 C ATOM 1052 HE1 TRP A 120 6.257 8.141 -9.133 1.00 0.00 H ATOM 1053 H TRP A 120 6.320 3.023 -9.061 1.00 0.00 H ATOM 1054 N SER A 121 3.819 2.731 -11.883 1.00 24.52 N ATOM 1055 CA SER A 121 4.115 2.735 -13.295 1.00 26.36 C ATOM 1056 C SER A 121 2.789 2.880 -14.014 1.00 28.57 C ATOM 1057 O SER A 121 1.740 3.067 -13.373 1.00 24.81 O ATOM 1058 CB SER A 121 4.842 1.460 -13.710 1.00 34.04 C ATOM 1059 OG SER A 121 3.932 0.379 -13.794 1.00 34.54 O ATOM 1060 HG SER A 121 4.418 -0.440 -14.064 1.00 0.00 H ATOM 1061 H SER A 121 2.861 2.478 -11.567 1.00 0.00 H ATOM 1062 N GLU A 122 2.839 2.774 -15.336 1.00 33.93 N ATOM 1063 CA GLU A 122 1.692 3.014 -16.197 1.00 37.35 C ATOM 1064 C GLU A 122 0.543 2.025 -15.970 1.00 39.81 C ATOM 1065 O GLU A 122 -0.612 2.341 -16.248 1.00 42.82 O ATOM 1066 CB GLU A 122 2.141 2.973 -17.655 1.00 51.57 C ATOM 1067 CG GLU A 122 3.253 3.967 -17.983 1.00 67.53 C ATOM 1068 CD GLU A 122 4.648 3.461 -17.620 1.00 78.58 C ATOM 1069 OE1 GLU A 122 4.754 2.526 -16.798 1.00 81.23 O ATOM 1070 OE2 GLU A 122 5.640 3.999 -18.163 1.00 81.79 O ATOM 1071 H GLU A 122 3.742 2.506 -15.777 1.00 0.00 H ATOM 1072 N VAL A 123 0.848 0.840 -15.453 1.00 37.08 N ATOM 1073 CA VAL A 123 -0.205 -0.133 -15.185 1.00 39.90 C ATOM 1074 C VAL A 123 -1.065 0.352 -14.019 1.00 39.71 C ATOM 1075 O VAL A 123 -2.193 -0.093 -13.830 1.00 47.06 O ATOM 1076 CB VAL A 123 0.378 -1.537 -14.887 1.00 40.71 C ATOM 1077 CG1 VAL A 123 1.131 -2.050 -16.095 1.00 48.41 C ATOM 1078 CG2 VAL A 123 1.300 -1.502 -13.686 1.00 39.35 C ATOM 1079 H VAL A 123 1.838 0.606 -15.239 1.00 0.00 H ATOM 1080 N ASN A 124 -0.524 1.296 -13.258 1.00 36.68 N ATOM 1081 CA ASN A 124 -1.215 1.880 -12.114 1.00 32.19 C ATOM 1082 C ASN A 124 -1.959 3.149 -12.488 1.00 34.55 C ATOM 1083 O ASN A 124 -2.592 3.793 -11.649 1.00 28.98 O ATOM 1084 CB ASN A 124 -0.213 2.175 -11.008 1.00 27.55 C ATOM 1085 CG ASN A 124 0.401 0.917 -10.456 1.00 32.12 C ATOM 1086 OD1 ASN A 124 1.624 0.747 -10.454 1.00 25.13 O ATOM 1087 ND2 ASN A 124 -0.460 -0.006 -10.019 1.00 27.47 N ATOM 1088 HD22 ASN A 124 -1.482 0.185 -10.041 1.00 0.00 H ATOM 1089 HD21 ASN A 124 -0.108 -0.915 -9.657 1.00 0.00 H ATOM 1090 H ASN A 124 0.433 1.633 -13.487 1.00 0.00 H ATOM 1091 N LEU A 125 -1.883 3.495 -13.764 1.00 37.76 N ATOM 1092 CA LEU A 125 -2.459 4.732 -14.267 1.00 42.64 C ATOM 1093 C LEU A 125 -3.813 4.476 -14.898 1.00 50.53 C ATOM 1094 O LEU A 125 -4.010 3.435 -15.517 1.00 59.20 O ATOM 1095 CB LEU A 125 -1.514 5.349 -15.279 1.00 43.73 C ATOM 1096 CG LEU A 125 -1.917 6.676 -15.878 1.00 50.53 C ATOM 1097 CD1 LEU A 125 -2.290 7.644 -14.776 1.00 47.68 C ATOM 1098 CD2 LEU A 125 -0.727 7.172 -16.661 1.00 55.55 C ATOM 1099 H LEU A 125 -1.395 2.861 -14.429 1.00 0.00 H ATOM 1100 N SER A 126 -4.751 5.405 -14.758 1.00 47.78 N ATOM 1101 CA SER A 126 -6.068 5.183 -15.346 1.00 58.00 C ATOM 1102 C SER A 126 -6.759 6.456 -15.777 1.00 57.39 C ATOM 1103 O SER A 126 -7.217 7.223 -14.943 1.00 59.11 O ATOM 1104 CB SER A 126 -6.980 4.454 -14.365 1.00 64.08 C ATOM 1105 OG SER A 126 -7.686 5.395 -13.578 1.00 71.04 O ATOM 1106 HG SER A 126 -8.233 5.972 -14.168 1.00 0.00 H ATOM 1107 H SER A 126 -4.549 6.281 -14.235 1.00 0.00 H ATOM 1108 N VAL A 127 -6.858 6.662 -17.084 1.00 59.98 N ATOM 1109 CA VAL A 127 -7.612 7.788 -17.619 1.00 66.43 C ATOM 1110 C VAL A 127 -9.092 7.430 -17.754 1.00 72.57 C ATOM 1111 O VAL A 127 -9.723 6.980 -16.793 1.00 72.96 O ATOM 1112 CB VAL A 127 -7.064 8.235 -18.987 1.00 65.19 C ATOM 1113 CG1 VAL A 127 -7.657 9.581 -19.379 1.00 67.76 C ATOM 1114 CG2 VAL A 127 -5.542 8.312 -18.946 1.00 61.66 C ATOM 1115 H VAL A 127 -6.388 6.006 -17.740 1.00 0.00 H TER 1116 VAL A 127 ATOM 1117 N ASN B 2 13.372 -14.057 -17.112 1.00 87.96 N ATOM 1118 CA ASN B 2 14.341 -12.971 -17.003 1.00 88.45 C ATOM 1119 C ASN B 2 13.939 -11.925 -15.963 1.00 80.71 C ATOM 1120 O ASN B 2 13.200 -12.232 -15.027 1.00 74.39 O ATOM 1121 CB ASN B 2 14.551 -12.316 -18.367 1.00 93.12 C ATOM 1122 CG ASN B 2 15.638 -12.996 -19.171 1.00100.75 C ATOM 1123 OD1 ASN B 2 16.693 -12.415 -19.421 1.00104.26 O ATOM 1124 ND2 ASN B 2 15.394 -14.243 -19.564 1.00101.86 N ATOM 1125 HD22 ASN B 2 14.487 -14.694 -19.329 1.00 0.00 H ATOM 1126 HD21 ASN B 2 16.110 -14.767 -20.106 1.00 0.00 H ATOM 1127 HN3 ASN B 2 12.448 -13.669 -17.390 1.00 0.00 H ATOM 1128 HN2 ASN B 2 13.286 -14.537 -16.193 1.00 0.00 H ATOM 1129 HN1 ASN B 2 13.694 -14.737 -17.830 1.00 0.00 H ATOM 1130 N LEU B 3 14.440 -10.698 -16.111 1.00 77.78 N ATOM 1131 CA LEU B 3 14.051 -9.620 -15.202 1.00 65.27 C ATOM 1132 C LEU B 3 12.667 -9.123 -15.581 1.00 55.52 C ATOM 1133 O LEU B 3 12.482 -8.519 -16.639 1.00 60.15 O ATOM 1134 CB LEU B 3 15.050 -8.466 -15.223 1.00 60.88 C ATOM 1135 CG LEU B 3 14.835 -7.518 -14.041 1.00 51.45 C ATOM 1136 CD1 LEU B 3 15.196 -8.213 -12.740 1.00 49.12 C ATOM 1137 CD2 LEU B 3 15.618 -6.229 -14.191 1.00 48.57 C ATOM 1138 H LEU B 3 15.113 -10.506 -16.880 1.00 0.00 H ATOM 1139 N PRO B 4 11.691 -9.376 -14.705 1.00 43.40 N ATOM 1140 CA PRO B 4 10.259 -9.212 -14.973 1.00 44.74 C ATOM 1141 C PRO B 4 9.820 -7.768 -15.248 1.00 52.54 C ATOM 1142 O PRO B 4 10.102 -6.865 -14.459 1.00 49.82 O ATOM 1143 CB PRO B 4 9.604 -9.732 -13.686 1.00 34.28 C ATOM 1144 CG PRO B 4 10.641 -9.589 -12.649 1.00 37.10 C ATOM 1145 CD PRO B 4 11.948 -9.808 -13.321 1.00 39.66 C ATOM 1146 N THR B 5 9.124 -7.578 -16.367 1.00 55.16 N ATOM 1147 CA THR B 5 8.458 -6.323 -16.695 1.00 48.05 C ATOM 1148 C THR B 5 7.468 -5.931 -15.607 1.00 42.82 C ATOM 1149 O THR B 5 7.116 -6.750 -14.748 1.00 36.11 O ATOM 1150 CB THR B 5 7.694 -6.429 -18.020 1.00 47.40 C ATOM 1151 OG1 THR B 5 6.582 -7.317 -17.850 1.00 36.49 O ATOM 1152 CG2 THR B 5 8.597 -6.955 -19.125 1.00 42.91 C ATOM 1153 HG1 THR B 5 6.085 -7.389 -18.703 1.00 0.00 H ATOM 1154 H THR B 5 9.052 -8.366 -17.042 1.00 0.00 H ATOM 1155 N ALA B 6 7.005 -4.687 -15.656 1.00 44.29 N ATOM 1156 CA ALA B 6 6.069 -4.184 -14.654 1.00 37.72 C ATOM 1157 C ALA B 6 4.842 -5.096 -14.530 1.00 35.17 C ATOM 1158 O ALA B 6 4.460 -5.517 -13.436 1.00 34.61 O ATOM 1159 CB ALA B 6 5.653 -2.743 -14.999 1.00 28.60 C ATOM 1160 H ALA B 6 7.315 -4.058 -16.424 1.00 0.00 H ATOM 1161 N GLN B 7 4.251 -5.421 -15.669 1.00 36.08 N ATOM 1162 CA GLN B 7 3.083 -6.292 -15.728 1.00 38.80 C ATOM 1163 C GLN B 7 3.365 -7.701 -15.169 1.00 46.20 C ATOM 1164 O GLN B 7 2.566 -8.252 -14.396 1.00 41.91 O ATOM 1165 CB GLN B 7 2.596 -6.385 -17.167 1.00 43.10 C ATOM 1166 CG GLN B 7 2.758 -5.080 -17.934 1.00 50.10 C ATOM 1167 CD GLN B 7 1.836 -4.985 -19.128 1.00 64.97 C ATOM 1168 OE1 GLN B 7 1.655 -5.951 -19.868 1.00 69.55 O ATOM 1169 NE2 GLN B 7 1.253 -3.809 -19.329 1.00 71.30 N ATOM 1170 HE22 GLN B 7 1.436 -3.020 -18.677 1.00 0.00 H ATOM 1171 HE21 GLN B 7 0.614 -3.677 -20.139 1.00 0.00 H ATOM 1172 H GLN B 7 4.635 -5.040 -16.557 1.00 0.00 H ATOM 1173 N GLU B 8 4.501 -8.277 -15.552 1.00 43.71 N ATOM 1174 CA GLU B 8 4.932 -9.551 -14.976 1.00 40.30 C ATOM 1175 C GLU B 8 5.150 -9.448 -13.461 1.00 35.98 C ATOM 1176 O GLU B 8 4.934 -10.410 -12.723 1.00 37.83 O ATOM 1177 CB GLU B 8 6.212 -10.036 -15.657 1.00 52.04 C ATOM 1178 CG GLU B 8 6.027 -10.421 -17.119 1.00 72.01 C ATOM 1179 CD GLU B 8 7.331 -10.840 -17.791 1.00 91.40 C ATOM 1180 OE1 GLU B 8 8.409 -10.622 -17.194 1.00 96.09 O ATOM 1181 OE2 GLU B 8 7.278 -11.398 -18.911 1.00100.12 O ATOM 1182 H GLU B 8 5.092 -7.815 -16.272 1.00 0.00 H ATOM 1183 N VAL B 9 5.582 -8.282 -12.994 1.00 36.00 N ATOM 1184 CA VAL B 9 5.770 -8.078 -11.565 1.00 29.01 C ATOM 1185 C VAL B 9 4.419 -8.062 -10.874 1.00 25.41 C ATOM 1186 O VAL B 9 4.296 -8.523 -9.751 1.00 23.23 O ATOM 1187 CB VAL B 9 6.539 -6.767 -11.265 1.00 29.11 C ATOM 1188 CG1 VAL B 9 6.400 -6.390 -9.802 1.00 24.80 C ATOM 1189 CG2 VAL B 9 8.005 -6.930 -11.611 1.00 21.83 C ATOM 1190 H VAL B 9 5.788 -7.507 -13.656 1.00 0.00 H ATOM 1191 N GLN B 10 3.397 -7.544 -11.544 1.00 28.19 N ATOM 1192 CA GLN B 10 2.069 -7.546 -10.943 1.00 23.03 C ATOM 1193 C GLN B 10 1.572 -8.977 -10.765 1.00 33.68 C ATOM 1194 O GLN B 10 0.921 -9.291 -9.776 1.00 40.06 O ATOM 1195 CB GLN B 10 1.076 -6.764 -11.786 1.00 20.36 C ATOM 1196 CG GLN B 10 1.323 -5.269 -11.801 1.00 32.54 C ATOM 1197 CD GLN B 10 0.190 -4.526 -12.476 1.00 37.93 C ATOM 1198 OE1 GLN B 10 -0.170 -4.828 -13.611 1.00 35.08 O ATOM 1199 NE2 GLN B 10 -0.402 -3.567 -11.763 1.00 41.73 N ATOM 1200 HE22 GLN B 10 -0.062 -3.346 -10.805 1.00 0.00 H ATOM 1201 HE21 GLN B 10 -1.204 -3.040 -12.165 1.00 0.00 H ATOM 1202 H GLN B 10 3.543 -7.140 -12.491 1.00 0.00 H ATOM 1203 N GLY B 11 1.875 -9.834 -11.735 1.00 34.81 N ATOM 1204 CA GLY B 11 1.422 -11.210 -11.711 1.00 35.00 C ATOM 1205 C GLY B 11 2.150 -12.009 -10.656 1.00 37.78 C ATOM 1206 O GLY B 11 1.539 -12.745 -9.896 1.00 35.00 O ATOM 1207 H GLY B 11 2.454 -9.507 -12.535 1.00 0.00 H ATOM 1208 N LEU B 12 3.465 -11.850 -10.609 1.00 20.26 N ATOM 1209 CA LEU B 12 4.285 -12.567 -9.635 1.00 19.51 C ATOM 1210 C LEU B 12 3.904 -12.219 -8.214 1.00 21.18 C ATOM 1211 O LEU B 12 3.766 -13.102 -7.358 1.00 20.56 O ATOM 1212 CB LEU B 12 5.766 -12.268 -9.867 1.00 22.02 C ATOM 1213 CG LEU B 12 6.391 -12.992 -11.053 1.00 26.93 C ATOM 1214 CD1 LEU B 12 7.766 -12.410 -11.338 1.00 29.11 C ATOM 1215 CD2 LEU B 12 6.460 -14.518 -10.806 1.00 22.95 C ATOM 1216 H LEU B 12 3.923 -11.201 -11.280 1.00 0.00 H ATOM 1217 N MET B 13 3.718 -10.924 -7.954 1.00 21.73 N ATOM 1218 CA MET B 13 3.464 -10.475 -6.595 1.00 23.07 C ATOM 1219 C MET B 13 2.079 -10.884 -6.174 1.00 20.65 C ATOM 1220 O MET B 13 1.873 -11.283 -5.028 1.00 26.48 O ATOM 1221 CB MET B 13 3.653 -8.966 -6.465 1.00 27.76 C ATOM 1222 CG MET B 13 5.111 -8.568 -6.495 1.00 31.86 C ATOM 1223 SD MET B 13 5.386 -6.875 -5.922 1.00 51.48 S ATOM 1224 CE MET B 13 5.314 -7.083 -4.141 1.00 27.10 C ATOM 1225 H MET B 13 3.755 -10.231 -8.729 1.00 0.00 H ATOM 1226 N ALA B 14 1.126 -10.829 -7.095 1.00 24.35 N ATOM 1227 CA ALA B 14 -0.216 -11.336 -6.790 1.00 28.79 C ATOM 1228 C ALA B 14 -0.183 -12.848 -6.508 1.00 30.38 C ATOM 1229 O ALA B 14 -0.886 -13.352 -5.625 1.00 33.78 O ATOM 1230 CB ALA B 14 -1.165 -11.036 -7.927 1.00 26.08 C ATOM 1231 H ALA B 14 1.330 -10.427 -8.032 1.00 0.00 H ATOM 1232 N ARG B 15 0.646 -13.562 -7.260 1.00 21.72 N ATOM 1233 CA ARG B 15 0.786 -15.008 -7.076 1.00 26.96 C ATOM 1234 C ARG B 15 1.350 -15.327 -5.696 1.00 31.44 C ATOM 1235 O ARG B 15 0.931 -16.283 -5.028 1.00 26.30 O ATOM 1236 CB ARG B 15 1.672 -15.597 -8.167 1.00 28.13 C ATOM 1237 CG ARG B 15 2.138 -17.002 -7.875 1.00 26.24 C ATOM 1238 CD ARG B 15 2.019 -17.846 -9.116 1.00 31.96 C ATOM 1239 NE ARG B 15 2.020 -19.262 -8.757 1.00 46.36 N ATOM 1240 CZ ARG B 15 3.118 -19.947 -8.470 1.00 44.84 C ATOM 1241 NH1 ARG B 15 4.302 -19.351 -8.516 1.00 44.93 N ATOM 1242 NH2 ARG B 15 3.037 -21.226 -8.149 1.00 50.73 N ATOM 1243 HE ARG B 15 1.108 -19.761 -8.725 1.00 0.00 H ATOM 1244 HH12 ARG B 15 5.164 -19.888 -8.291 1.00 0.00 H ATOM 1245 HH11 ARG B 15 4.369 -18.347 -8.777 1.00 0.00 H ATOM 1246 HH22 ARG B 15 3.900 -21.761 -7.924 1.00 0.00 H ATOM 1247 HH21 ARG B 15 2.110 -21.697 -8.121 1.00 0.00 H ATOM 1248 H ARG B 15 1.207 -13.085 -7.994 1.00 0.00 H ATOM 1249 N TYR B 16 2.303 -14.516 -5.260 1.00 31.68 N ATOM 1250 CA TYR B 16 2.848 -14.676 -3.924 1.00 28.80 C ATOM 1251 C TYR B 16 1.724 -14.649 -2.879 1.00 29.47 C ATOM 1252 O TYR B 16 1.666 -15.502 -1.984 1.00 20.80 O ATOM 1253 CB TYR B 16 3.872 -13.580 -3.656 1.00 20.92 C ATOM 1254 CG TYR B 16 4.400 -13.542 -2.264 1.00 17.16 C ATOM 1255 CD1 TYR B 16 5.456 -14.360 -1.882 1.00 22.10 C ATOM 1256 CD2 TYR B 16 3.864 -12.665 -1.322 1.00 20.68 C ATOM 1257 CE1 TYR B 16 5.950 -14.319 -0.588 1.00 20.94 C ATOM 1258 CE2 TYR B 16 4.348 -12.616 -0.036 1.00 25.12 C ATOM 1259 CZ TYR B 16 5.399 -13.450 0.322 1.00 30.05 C ATOM 1260 OH TYR B 16 5.898 -13.421 1.603 1.00 26.65 O ATOM 1261 HH TYR B 16 6.638 -14.074 1.683 1.00 0.00 H ATOM 1262 H TYR B 16 2.662 -13.761 -5.878 1.00 0.00 H ATOM 1263 N ILE B 17 0.815 -13.687 -3.017 1.00 24.21 N ATOM 1264 CA ILE B 17 -0.257 -13.505 -2.034 1.00 24.84 C ATOM 1265 C ILE B 17 -1.218 -14.686 -2.036 1.00 20.80 C ATOM 1266 O ILE B 17 -1.617 -15.160 -0.968 1.00 24.16 O ATOM 1267 CB ILE B 17 -1.049 -12.198 -2.279 1.00 28.78 C ATOM 1268 CG1 ILE B 17 -0.280 -11.021 -1.709 1.00 30.55 C ATOM 1269 CG2 ILE B 17 -2.375 -12.233 -1.546 1.00 29.84 C ATOM 1270 CD1 ILE B 17 -0.201 -11.089 -0.193 1.00 36.90 C ATOM 1271 H ILE B 17 0.866 -13.052 -3.839 1.00 0.00 H ATOM 1272 N GLU B 18 -1.602 -15.148 -3.226 1.00 30.77 N ATOM 1273 CA GLU B 18 -2.401 -16.371 -3.368 1.00 34.15 C ATOM 1274 C GLU B 18 -1.775 -17.572 -2.651 1.00 32.70 C ATOM 1275 O GLU B 18 -2.460 -18.329 -1.964 1.00 28.54 O ATOM 1276 CB GLU B 18 -2.598 -16.722 -4.846 1.00 41.86 C ATOM 1277 CG GLU B 18 -3.647 -15.896 -5.578 1.00 56.75 C ATOM 1278 CD GLU B 18 -3.942 -16.422 -6.983 1.00 71.56 C ATOM 1279 OE1 GLU B 18 -3.240 -16.021 -7.939 1.00 71.75 O ATOM 1280 OE2 GLU B 18 -4.881 -17.239 -7.129 1.00 82.03 O ATOM 1281 H GLU B 18 -1.326 -14.625 -4.082 1.00 0.00 H ATOM 1282 N LEU B 19 -0.470 -17.745 -2.827 1.00 29.12 N ATOM 1283 CA LEU B 19 0.245 -18.850 -2.212 1.00 28.36 C ATOM 1284 C LEU B 19 0.234 -18.759 -0.690 1.00 26.67 C ATOM 1285 O LEU B 19 0.095 -19.757 0.002 1.00 33.94 O ATOM 1286 CB LEU B 19 1.682 -18.888 -2.720 1.00 26.30 C ATOM 1287 CG LEU B 19 1.867 -19.352 -4.163 1.00 26.87 C ATOM 1288 CD1 LEU B 19 3.356 -19.439 -4.483 1.00 25.12 C ATOM 1289 CD2 LEU B 19 1.177 -20.697 -4.392 1.00 24.12 C ATOM 1290 H LEU B 19 0.054 -17.071 -3.421 1.00 0.00 H ATOM 1291 N VAL B 20 0.403 -17.555 -0.166 1.00 23.80 N ATOM 1292 CA VAL B 20 0.402 -17.341 1.280 1.00 21.00 C ATOM 1293 C VAL B 20 -0.967 -17.656 1.830 1.00 24.02 C ATOM 1294 O VAL B 20 -1.095 -18.331 2.851 1.00 26.47 O ATOM 1295 CB VAL B 20 0.782 -15.898 1.647 1.00 24.39 C ATOM 1296 CG1 VAL B 20 0.379 -15.583 3.088 1.00 18.99 C ATOM 1297 CG2 VAL B 20 2.269 -15.685 1.445 1.00 28.10 C ATOM 1298 H VAL B 20 0.540 -16.741 -0.799 1.00 0.00 H ATOM 1299 N ASP B 21 -1.992 -17.196 1.121 1.00 21.60 N ATOM 1300 CA ASP B 21 -3.364 -17.451 1.514 1.00 34.86 C ATOM 1301 C ASP B 21 -3.647 -18.942 1.761 1.00 41.43 C ATOM 1302 O ASP B 21 -4.237 -19.291 2.783 1.00 44.11 O ATOM 1303 CB ASP B 21 -4.315 -16.906 0.453 1.00 44.04 C ATOM 1304 CG ASP B 21 -5.762 -16.898 0.911 1.00 62.50 C ATOM 1305 OD1 ASP B 21 -6.040 -16.350 2.000 1.00 66.40 O ATOM 1306 OD2 ASP B 21 -6.623 -17.448 0.187 1.00 71.06 O ATOM 1307 H ASP B 21 -1.806 -16.639 0.263 1.00 0.00 H ATOM 1308 N VAL B 22 -3.237 -19.816 0.840 1.00 42.86 N ATOM 1309 CA VAL B 22 -3.475 -21.256 1.015 1.00 38.32 C ATOM 1310 C VAL B 22 -2.459 -21.854 1.981 1.00 37.80 C ATOM 1311 O VAL B 22 -2.775 -22.759 2.737 1.00 45.30 O ATOM 1312 CB VAL B 22 -3.427 -22.042 -0.322 1.00 43.34 C ATOM 1313 CG1 VAL B 22 -4.422 -21.471 -1.310 1.00 48.74 C ATOM 1314 CG2 VAL B 22 -2.027 -22.041 -0.918 1.00 34.27 C ATOM 1315 H VAL B 22 -2.744 -19.475 -0.010 1.00 0.00 H ATOM 1316 N GLY B 23 -1.245 -21.318 1.980 1.00 41.98 N ATOM 1317 CA GLY B 23 -0.196 -21.832 2.833 1.00 40.01 C ATOM 1318 C GLY B 23 0.588 -22.969 2.198 1.00 46.48 C ATOM 1319 O GLY B 23 0.986 -23.907 2.892 1.00 55.24 O ATOM 1320 H GLY B 23 -1.044 -20.513 1.354 1.00 0.00 H ATOM 1321 N ASP B 24 0.819 -22.894 0.888 1.00 48.52 N ATOM 1322 CA ASP B 24 1.643 -23.895 0.209 1.00 55.18 C ATOM 1323 C ASP B 24 3.123 -23.557 0.347 1.00 42.96 C ATOM 1324 O ASP B 24 3.685 -22.857 -0.489 1.00 34.76 O ATOM 1325 CB ASP B 24 1.263 -24.002 -1.269 1.00 63.86 C ATOM 1326 CG ASP B 24 1.797 -25.270 -1.923 1.00 67.05 C ATOM 1327 OD1 ASP B 24 2.994 -25.579 -1.752 1.00 70.57 O ATOM 1328 OD2 ASP B 24 1.018 -25.961 -2.609 1.00 65.23 O ATOM 1329 H ASP B 24 0.407 -22.112 0.339 1.00 0.00 H ATOM 1330 N ILE B 25 3.754 -24.090 1.386 1.00 43.74 N ATOM 1331 CA ILE B 25 5.072 -23.630 1.816 1.00 44.89 C ATOM 1332 C ILE B 25 6.185 -23.895 0.807 1.00 43.32 C ATOM 1333 O ILE B 25 7.039 -23.036 0.572 1.00 39.91 O ATOM 1334 CB ILE B 25 5.443 -24.265 3.166 1.00 49.48 C ATOM 1335 CG1 ILE B 25 4.435 -23.817 4.229 1.00 54.23 C ATOM 1336 CG2 ILE B 25 6.854 -23.872 3.584 1.00 49.82 C ATOM 1337 CD1 ILE B 25 4.661 -24.425 5.583 1.00 62.38 C ATOM 1338 H ILE B 25 3.295 -24.861 1.912 1.00 0.00 H ATOM 1339 N GLU B 26 6.179 -25.075 0.203 1.00 40.91 N ATOM 1340 CA GLU B 26 7.210 -25.401 -0.770 1.00 47.42 C ATOM 1341 C GLU B 26 7.106 -24.489 -1.984 1.00 45.67 C ATOM 1342 O GLU B 26 8.118 -24.048 -2.512 1.00 40.41 O ATOM 1343 CB GLU B 26 7.127 -26.863 -1.200 1.00 64.32 C ATOM 1344 CG GLU B 26 5.744 -27.327 -1.638 1.00 85.36 C ATOM 1345 CD GLU B 26 4.815 -27.635 -0.467 1.00102.19 C ATOM 1346 OE1 GLU B 26 5.198 -27.380 0.698 1.00104.67 O ATOM 1347 OE2 GLU B 26 3.699 -28.139 -0.719 1.00110.29 O ATOM 1348 H GLU B 26 5.436 -25.768 0.425 1.00 0.00 H ATOM 1349 N ALA B 27 5.882 -24.203 -2.416 1.00 28.00 N ATOM 1350 CA ALA B 27 5.674 -23.338 -3.559 1.00 26.97 C ATOM 1351 C ALA B 27 5.997 -21.881 -3.198 1.00 41.35 C ATOM 1352 O ALA B 27 6.478 -21.120 -4.039 1.00 42.50 O ATOM 1353 CB ALA B 27 4.245 -23.462 -4.067 1.00 30.09 C ATOM 1354 H ALA B 27 5.059 -24.607 -1.925 1.00 0.00 H ATOM 1355 N ILE B 28 5.734 -21.487 -1.956 1.00 33.11 N ATOM 1356 CA ILE B 28 6.125 -20.145 -1.554 1.00 30.55 C ATOM 1357 C ILE B 28 7.627 -20.014 -1.627 1.00 23.78 C ATOM 1358 O ILE B 28 8.163 -19.098 -2.249 1.00 30.14 O ATOM 1359 CB ILE B 28 5.684 -19.789 -0.142 1.00 36.77 C ATOM 1360 CG1 ILE B 28 4.164 -19.812 -0.043 1.00 44.88 C ATOM 1361 CG2 ILE B 28 6.175 -18.392 0.202 1.00 36.10 C ATOM 1362 CD1 ILE B 28 3.664 -19.704 1.381 1.00 52.86 C ATOM 1363 H ILE B 28 5.259 -22.125 -1.286 1.00 0.00 H ATOM 1364 N VAL B 29 8.304 -20.946 -0.983 1.00 32.34 N ATOM 1365 CA VAL B 29 9.750 -20.927 -0.901 1.00 32.97 C ATOM 1366 C VAL B 29 10.424 -20.919 -2.269 1.00 35.73 C ATOM 1367 O VAL B 29 11.490 -20.326 -2.447 1.00 27.31 O ATOM 1368 CB VAL B 29 10.231 -22.135 -0.091 1.00 41.59 C ATOM 1369 CG1 VAL B 29 11.719 -22.380 -0.290 1.00 32.97 C ATOM 1370 CG2 VAL B 29 9.900 -21.911 1.370 1.00 44.48 C ATOM 1371 H VAL B 29 7.783 -21.718 -0.520 1.00 0.00 H ATOM 1372 N GLN B 30 9.801 -21.564 -3.245 1.00 35.57 N ATOM 1373 CA GLN B 30 10.408 -21.644 -4.569 1.00 31.12 C ATOM 1374 C GLN B 30 10.288 -20.318 -5.317 1.00 28.69 C ATOM 1375 O GLN B 30 10.927 -20.134 -6.340 1.00 27.86 O ATOM 1376 CB GLN B 30 9.775 -22.776 -5.382 1.00 39.02 C ATOM 1377 CG GLN B 30 10.600 -23.233 -6.594 1.00 53.04 C ATOM 1378 CD GLN B 30 11.983 -23.762 -6.220 1.00 65.78 C ATOM 1379 OE1 GLN B 30 12.184 -24.300 -5.128 1.00 73.37 O ATOM 1380 NE2 GLN B 30 12.942 -23.610 -7.131 1.00 69.99 N ATOM 1381 HE22 GLN B 30 12.728 -23.150 -8.039 1.00 0.00 H ATOM 1382 HE21 GLN B 30 13.905 -23.951 -6.934 1.00 0.00 H ATOM 1383 H GLN B 30 8.880 -22.013 -3.067 1.00 0.00 H ATOM 1384 N MET B 31 9.469 -19.399 -4.813 1.00 26.45 N ATOM 1385 CA MET B 31 9.369 -18.081 -5.430 1.00 33.75 C ATOM 1386 C MET B 31 10.612 -17.235 -5.162 1.00 30.61 C ATOM 1387 O MET B 31 10.890 -16.293 -5.898 1.00 36.57 O ATOM 1388 CB MET B 31 8.127 -17.339 -4.943 1.00 34.75 C ATOM 1389 CG MET B 31 6.826 -17.902 -5.483 1.00 41.87 C ATOM 1390 SD MET B 31 5.538 -16.646 -5.639 1.00 43.54 S ATOM 1391 CE MET B 31 6.013 -15.849 -7.183 1.00 19.74 C ATOM 1392 H MET B 31 8.896 -19.622 -3.974 1.00 0.00 H ATOM 1393 N PHE B 32 11.359 -17.584 -4.116 1.00 28.53 N ATOM 1394 CA PHE B 32 12.531 -16.822 -3.684 1.00 25.59 C ATOM 1395 C PHE B 32 13.791 -17.331 -4.345 1.00 33.96 C ATOM 1396 O PHE B 32 13.886 -18.513 -4.665 1.00 40.78 O ATOM 1397 CB PHE B 32 12.691 -16.920 -2.154 1.00 23.71 C ATOM 1398 CG PHE B 32 11.631 -16.205 -1.403 1.00 19.27 C ATOM 1399 CD1 PHE B 32 10.388 -16.783 -1.222 1.00 27.46 C ATOM 1400 CD2 PHE B 32 11.854 -14.920 -0.914 1.00 18.46 C ATOM 1401 CE1 PHE B 32 9.391 -16.108 -0.543 1.00 19.50 C ATOM 1402 CE2 PHE B 32 10.854 -14.239 -0.242 1.00 16.81 C ATOM 1403 CZ PHE B 32 9.623 -14.834 -0.056 1.00 23.90 C ATOM 1404 H PHE B 32 11.097 -18.437 -3.582 1.00 0.00 H ATOM 1405 N ALA B 33 14.779 -16.464 -4.528 1.00 29.11 N ATOM 1406 CA ALA B 33 16.100 -16.958 -4.894 1.00 33.79 C ATOM 1407 C ALA B 33 16.637 -17.765 -3.723 1.00 42.15 C ATOM 1408 O ALA B 33 16.192 -17.590 -2.582 1.00 33.78 O ATOM 1409 CB ALA B 33 17.036 -15.825 -5.242 1.00 34.66 C ATOM 1410 H ALA B 33 14.612 -15.444 -4.412 1.00 0.00 H ATOM 1411 N ASP B 34 17.591 -18.654 -3.984 1.00 49.58 N ATOM 1412 CA ASP B 34 18.059 -19.543 -2.919 1.00 61.69 C ATOM 1413 C ASP B 34 18.869 -18.763 -1.879 1.00 62.06 C ATOM 1414 O ASP B 34 19.055 -19.231 -0.754 1.00 65.19 O ATOM 1415 CB ASP B 34 18.877 -20.710 -3.491 1.00 73.90 C ATOM 1416 CG ASP B 34 20.305 -20.324 -3.824 1.00 85.98 C ATOM 1417 OD1 ASP B 34 20.505 -19.516 -4.756 1.00 90.58 O ATOM 1418 OD2 ASP B 34 21.232 -20.846 -3.163 1.00 90.61 O ATOM 1419 H ASP B 34 18.002 -18.717 -4.937 1.00 0.00 H ATOM 1420 N ASP B 35 19.310 -17.561 -2.262 1.00 57.93 N ATOM 1421 CA ASP B 35 20.103 -16.676 -1.407 1.00 54.99 C ATOM 1422 C ASP B 35 19.319 -15.408 -1.054 1.00 40.12 C ATOM 1423 O ASP B 35 19.889 -14.396 -0.664 1.00 32.29 O ATOM 1424 CB ASP B 35 21.411 -16.296 -2.099 1.00 71.83 C ATOM 1425 CG ASP B 35 21.184 -15.671 -3.464 1.00 88.70 C ATOM 1426 OD1 ASP B 35 20.284 -16.141 -4.191 1.00 90.94 O ATOM 1427 OD2 ASP B 35 21.893 -14.698 -3.803 1.00 98.85 O ATOM 1428 H ASP B 35 19.077 -17.236 -3.222 1.00 0.00 H ATOM 1429 N ALA B 36 18.007 -15.478 -1.223 1.00 32.65 N ATOM 1430 CA ALA B 36 17.119 -14.380 -0.902 1.00 26.86 C ATOM 1431 C ALA B 36 17.288 -13.919 0.536 1.00 26.15 C ATOM 1432 O ALA B 36 17.501 -14.725 1.444 1.00 34.35 O ATOM 1433 CB ALA B 36 15.681 -14.787 -1.155 1.00 22.27 C ATOM 1434 H ALA B 36 17.598 -16.356 -1.601 1.00 0.00 H ATOM 1435 N THR B 37 17.202 -12.613 0.746 1.00 30.35 N ATOM 1436 CA THR B 37 17.126 -12.086 2.103 1.00 34.50 C ATOM 1437 C THR B 37 15.713 -11.607 2.369 1.00 35.05 C ATOM 1438 O THR B 37 15.046 -11.080 1.480 1.00 43.34 O ATOM 1439 CB THR B 37 18.100 -10.940 2.327 1.00 44.22 C ATOM 1440 OG1 THR B 37 17.624 -9.786 1.632 1.00 49.14 O ATOM 1441 CG2 THR B 37 19.493 -11.315 1.815 1.00 46.64 C ATOM 1442 HG1 THR B 37 16.730 -9.539 1.978 1.00 0.00 H ATOM 1443 H THR B 37 17.189 -11.960 -0.063 1.00 0.00 H ATOM 1444 N VAL B 38 15.244 -11.801 3.593 1.00 29.09 N ATOM 1445 CA VAL B 38 13.892 -11.400 3.951 1.00 25.11 C ATOM 1446 C VAL B 38 13.890 -10.661 5.276 1.00 31.59 C ATOM 1447 O VAL B 38 14.329 -11.205 6.297 1.00 37.72 O ATOM 1448 CB VAL B 38 12.947 -12.606 4.038 1.00 20.19 C ATOM 1449 CG1 VAL B 38 11.604 -12.191 4.622 1.00 17.44 C ATOM 1450 CG2 VAL B 38 12.747 -13.193 2.646 1.00 25.60 C ATOM 1451 H VAL B 38 15.852 -12.247 4.309 1.00 0.00 H ATOM 1452 N GLU B 39 13.420 -9.416 5.231 1.00 33.98 N ATOM 1453 CA GLU B 39 13.262 -8.559 6.406 1.00 42.09 C ATOM 1454 C GLU B 39 11.787 -8.425 6.756 1.00 38.18 C ATOM 1455 O GLU B 39 11.018 -7.827 6.001 1.00 34.50 O ATOM 1456 CB GLU B 39 13.853 -7.175 6.161 1.00 47.04 C ATOM 1457 CG GLU B 39 15.290 -7.010 6.576 1.00 66.38 C ATOM 1458 CD GLU B 39 15.632 -5.560 6.869 1.00 86.55 C ATOM 1459 OE1 GLU B 39 15.362 -5.094 8.002 1.00 89.62 O ATOM 1460 OE2 GLU B 39 16.167 -4.885 5.963 1.00 98.66 O ATOM 1461 H GLU B 39 13.149 -9.029 4.304 1.00 0.00 H ATOM 1462 N ASN B 40 11.398 -8.981 7.898 1.00 34.98 N ATOM 1463 CA ASN B 40 9.996 -9.027 8.272 1.00 35.30 C ATOM 1464 C ASN B 40 9.852 -9.111 9.788 1.00 40.69 C ATOM 1465 O ASN B 40 10.094 -10.162 10.374 1.00 43.80 O ATOM 1466 CB ASN B 40 9.313 -10.215 7.594 1.00 35.62 C ATOM 1467 CG ASN B 40 7.798 -10.163 7.701 1.00 43.98 C ATOM 1468 OD1 ASN B 40 7.253 -9.572 8.629 1.00 45.86 O ATOM 1469 ND2 ASN B 40 7.112 -10.801 6.756 1.00 39.32 N ATOM 1470 HD22 ASN B 40 7.615 -11.289 5.988 1.00 0.00 H ATOM 1471 HD21 ASN B 40 6.072 -10.812 6.786 1.00 0.00 H ATOM 1472 H ASN B 40 12.110 -9.391 8.535 1.00 0.00 H ATOM 1473 N PRO B 41 9.462 -7.999 10.432 1.00 40.71 N ATOM 1474 CA PRO B 41 9.181 -6.711 9.788 1.00 33.13 C ATOM 1475 C PRO B 41 10.452 -5.942 9.476 1.00 35.42 C ATOM 1476 O PRO B 41 11.523 -6.269 9.981 1.00 30.58 O ATOM 1477 CB PRO B 41 8.350 -5.964 10.837 1.00 35.59 C ATOM 1478 CG PRO B 41 8.870 -6.493 12.144 1.00 41.89 C ATOM 1479 CD PRO B 41 9.242 -7.946 11.891 1.00 41.92 C ATOM 1480 N PHE B 42 10.327 -4.932 8.629 1.00 36.08 N ATOM 1481 CA PHE B 42 11.446 -4.058 8.330 1.00 41.34 C ATOM 1482 C PHE B 42 11.970 -3.443 9.626 1.00 42.32 C ATOM 1483 O PHE B 42 11.197 -3.006 10.472 1.00 41.25 O ATOM 1484 CB PHE B 42 11.025 -2.977 7.338 1.00 40.68 C ATOM 1485 CG PHE B 42 12.154 -2.144 6.850 1.00 48.22 C ATOM 1486 CD1 PHE B 42 13.001 -2.619 5.868 1.00 49.47 C ATOM 1487 CD2 PHE B 42 12.376 -0.882 7.377 1.00 54.14 C ATOM 1488 CE1 PHE B 42 14.048 -1.852 5.420 1.00 57.29 C ATOM 1489 CE2 PHE B 42 13.422 -0.109 6.932 1.00 56.91 C ATOM 1490 CZ PHE B 42 14.258 -0.591 5.954 1.00 59.82 C ATOM 1491 H PHE B 42 9.410 -4.762 8.169 1.00 0.00 H ATOM 1492 N GLY B 43 13.284 -3.440 9.793 1.00 44.00 N ATOM 1493 CA GLY B 43 13.863 -3.044 11.057 1.00 50.65 C ATOM 1494 C GLY B 43 14.442 -4.227 11.814 1.00 54.38 C ATOM 1495 O GLY B 43 15.404 -4.081 12.567 1.00 50.87 O ATOM 1496 H GLY B 43 13.904 -3.725 9.008 1.00 0.00 H ATOM 1497 N GLN B 44 13.855 -5.403 11.628 1.00 60.35 N ATOM 1498 CA GLN B 44 14.383 -6.621 12.245 1.00 66.69 C ATOM 1499 C GLN B 44 15.547 -7.141 11.398 1.00 63.88 C ATOM 1500 O GLN B 44 15.596 -6.874 10.198 1.00 62.91 O ATOM 1501 CB GLN B 44 13.276 -7.678 12.377 1.00 74.20 C ATOM 1502 CG GLN B 44 13.299 -8.515 13.660 1.00 82.26 C ATOM 1503 CD GLN B 44 13.137 -7.682 14.924 1.00 87.78 C ATOM 1504 OE1 GLN B 44 12.617 -6.567 14.886 1.00 86.68 O ATOM 1505 NE2 GLN B 44 13.579 -8.229 16.054 1.00 92.41 N ATOM 1506 HE22 GLN B 44 14.012 -9.174 16.039 1.00 0.00 H ATOM 1507 HE21 GLN B 44 13.491 -7.711 16.952 1.00 0.00 H ATOM 1508 H GLN B 44 13.004 -5.460 11.033 1.00 0.00 H ATOM 1509 N PRO B 45 16.500 -7.864 12.017 1.00 66.13 N ATOM 1510 CA PRO B 45 17.589 -8.446 11.224 1.00 62.69 C ATOM 1511 C PRO B 45 17.060 -9.406 10.171 1.00 48.63 C ATOM 1512 O PRO B 45 16.036 -10.047 10.373 1.00 44.22 O ATOM 1513 CB PRO B 45 18.441 -9.178 12.265 1.00 67.18 C ATOM 1514 CG PRO B 45 17.542 -9.357 13.439 1.00 70.99 C ATOM 1515 CD PRO B 45 16.672 -8.143 13.450 1.00 69.98 C ATOM 1516 N PRO B 46 17.740 -9.475 9.030 1.00 47.90 N ATOM 1517 CA PRO B 46 17.199 -10.274 7.937 1.00 47.11 C ATOM 1518 C PRO B 46 17.517 -11.748 8.081 1.00 41.46 C ATOM 1519 O PRO B 46 18.585 -12.150 8.546 1.00 40.28 O ATOM 1520 CB PRO B 46 17.882 -9.687 6.704 1.00 52.80 C ATOM 1521 CG PRO B 46 19.173 -9.164 7.212 1.00 60.41 C ATOM 1522 CD PRO B 46 18.951 -8.736 8.637 1.00 58.41 C ATOM 1523 N ILE B 47 16.545 -12.552 7.693 1.00 32.95 N ATOM 1524 CA ILE B 47 16.770 -13.967 7.570 1.00 31.03 C ATOM 1525 C ILE B 47 17.174 -14.237 6.127 1.00 32.16 C ATOM 1526 O ILE B 47 16.816 -13.490 5.206 1.00 34.09 O ATOM 1527 CB ILE B 47 15.542 -14.753 7.998 1.00 35.89 C ATOM 1528 CG1 ILE B 47 14.297 -14.223 7.316 1.00 33.07 C ATOM 1529 CG2 ILE B 47 15.346 -14.605 9.503 1.00 33.97 C ATOM 1530 CD1 ILE B 47 13.345 -15.292 6.871 1.00 23.86 C ATOM 1531 H ILE B 47 15.608 -12.159 7.474 1.00 0.00 H ATOM 1532 N HIS B 48 17.973 -15.265 5.927 1.00 26.11 N ATOM 1533 CA HIS B 48 18.605 -15.422 4.641 1.00 60.33 C ATOM 1534 C HIS B 48 18.605 -16.858 4.167 1.00 55.70 C ATOM 1535 O HIS B 48 18.880 -17.786 4.932 1.00 53.30 O ATOM 1536 CB HIS B 48 20.037 -14.889 4.690 1.00 71.46 C ATOM 1537 CG HIS B 48 20.881 -15.335 3.537 1.00 90.00 C ATOM 1538 ND1 HIS B 48 21.213 -14.498 2.494 1.00 96.36 N ATOM 1539 CD2 HIS B 48 21.479 -16.523 3.273 1.00100.28 C ATOM 1540 CE1 HIS B 48 21.964 -15.157 1.626 1.00103.33 C ATOM 1541 NE2 HIS B 48 22.141 -16.385 2.078 1.00105.12 N ATOM 1542 H HIS B 48 18.146 -15.954 6.687 1.00 0.00 H ATOM 1543 N GLY B 49 18.307 -17.037 2.889 1.00 27.18 N ATOM 1544 CA GLY B 49 18.440 -18.347 2.285 1.00 37.83 C ATOM 1545 C GLY B 49 17.140 -19.100 2.366 1.00 36.55 C ATOM 1546 O GLY B 49 16.283 -18.782 3.186 1.00 40.54 O ATOM 1547 H GLY B 49 17.976 -16.234 2.317 1.00 0.00 H ATOM 1548 N ARG B 50 16.979 -20.096 1.509 1.00 33.19 N ATOM 1549 CA ARG B 50 15.712 -20.806 1.451 1.00 34.25 C ATOM 1550 C ARG B 50 15.434 -21.628 2.702 1.00 28.69 C ATOM 1551 O ARG B 50 14.287 -21.761 3.102 1.00 43.80 O ATOM 1552 CB ARG B 50 15.669 -21.690 0.219 1.00 36.41 C ATOM 1553 CG ARG B 50 15.165 -20.950 -0.990 1.00 37.25 C ATOM 1554 CD ARG B 50 15.244 -21.840 -2.182 1.00 43.35 C ATOM 1555 NE ARG B 50 14.847 -21.144 -3.390 1.00 41.68 N ATOM 1556 CZ ARG B 50 14.854 -21.715 -4.584 1.00 45.87 C ATOM 1557 NH1 ARG B 50 15.224 -22.983 -4.689 1.00 44.02 N ATOM 1558 NH2 ARG B 50 14.478 -21.033 -5.659 1.00 46.01 N ATOM 1559 HE ARG B 50 14.543 -20.152 -3.315 1.00 0.00 H ATOM 1560 HH12 ARG B 50 15.235 -23.446 -5.620 1.00 0.00 H ATOM 1561 HH11 ARG B 50 15.504 -23.515 -3.840 1.00 0.00 H ATOM 1562 HH22 ARG B 50 14.486 -21.489 -6.594 1.00 0.00 H ATOM 1563 HH21 ARG B 50 14.175 -20.042 -5.567 1.00 0.00 H ATOM 1564 H ARG B 50 17.759 -20.370 0.878 1.00 0.00 H ATOM 1565 N GLU B 51 16.463 -22.172 3.333 1.00 30.74 N ATOM 1566 CA GLU B 51 16.202 -22.917 4.559 1.00 37.80 C ATOM 1567 C GLU B 51 15.614 -21.989 5.639 1.00 39.88 C ATOM 1568 O GLU B 51 14.544 -22.262 6.182 1.00 41.43 O ATOM 1569 CB GLU B 51 17.457 -23.605 5.078 1.00 37.86 C ATOM 1570 CG GLU B 51 17.157 -24.517 6.264 1.00 57.99 C ATOM 1571 CD GLU B 51 18.404 -24.944 7.013 1.00 76.70 C ATOM 1572 OE1 GLU B 51 19.466 -24.330 6.783 1.00 82.92 O ATOM 1573 OE2 GLU B 51 18.324 -25.892 7.831 1.00 83.65 O ATOM 1574 H GLU B 51 17.430 -22.071 2.965 1.00 0.00 H ATOM 1575 N GLN B 52 16.280 -20.874 5.924 1.00 35.23 N ATOM 1576 CA GLN B 52 15.777 -19.968 6.953 1.00 36.34 C ATOM 1577 C GLN B 52 14.429 -19.363 6.564 1.00 35.68 C ATOM 1578 O GLN B 52 13.597 -19.096 7.429 1.00 36.20 O ATOM 1579 CB GLN B 52 16.801 -18.874 7.244 1.00 41.13 C ATOM 1580 CG GLN B 52 18.076 -19.439 7.868 1.00 54.07 C ATOM 1581 CD GLN B 52 19.057 -18.367 8.316 1.00 63.69 C ATOM 1582 OE1 GLN B 52 18.675 -17.228 8.608 1.00 69.01 O ATOM 1583 NE2 GLN B 52 20.334 -18.727 8.367 1.00 65.21 N ATOM 1584 HE22 GLN B 52 20.612 -19.696 8.113 1.00 0.00 H ATOM 1585 HE21 GLN B 52 21.057 -18.040 8.661 1.00 0.00 H ATOM 1586 H GLN B 52 17.158 -20.647 5.415 1.00 0.00 H ATOM 1587 N ILE B 53 14.195 -19.181 5.266 1.00 32.52 N ATOM 1588 CA ILE B 53 12.924 -18.633 4.797 1.00 23.05 C ATOM 1589 C ILE B 53 11.792 -19.666 4.930 1.00 40.48 C ATOM 1590 O ILE B 53 10.671 -19.322 5.312 1.00 36.52 O ATOM 1591 CB ILE B 53 13.007 -18.144 3.331 1.00 26.70 C ATOM 1592 CG1 ILE B 53 13.917 -16.919 3.214 1.00 25.70 C ATOM 1593 CG2 ILE B 53 11.631 -17.735 2.821 1.00 20.49 C ATOM 1594 CD1 ILE B 53 14.113 -16.458 1.791 1.00 29.68 C ATOM 1595 H ILE B 53 14.929 -19.433 4.574 1.00 0.00 H ATOM 1596 N ALA B 54 12.081 -20.929 4.618 1.00 36.74 N ATOM 1597 CA ALA B 54 11.075 -21.989 4.739 1.00 36.53 C ATOM 1598 C ALA B 54 10.608 -22.150 6.181 1.00 34.27 C ATOM 1599 O ALA B 54 9.412 -22.309 6.449 1.00 29.01 O ATOM 1600 CB ALA B 54 11.625 -23.321 4.213 1.00 34.93 C ATOM 1601 H ALA B 54 13.036 -21.167 4.283 1.00 0.00 H ATOM 1602 N ALA B 55 11.564 -22.134 7.105 1.00 30.57 N ATOM 1603 CA ALA B 55 11.251 -22.228 8.519 1.00 31.30 C ATOM 1604 C ALA B 55 10.343 -21.067 8.940 1.00 35.98 C ATOM 1605 O ALA B 55 9.411 -21.250 9.726 1.00 36.80 O ATOM 1606 CB ALA B 55 12.523 -22.230 9.344 1.00 34.64 C ATOM 1607 H ALA B 55 12.557 -22.052 6.808 1.00 0.00 H ATOM 1608 N PHE B 56 10.614 -19.880 8.404 1.00 32.30 N ATOM 1609 CA PHE B 56 9.828 -18.700 8.761 1.00 34.33 C ATOM 1610 C PHE B 56 8.371 -18.925 8.387 1.00 37.21 C ATOM 1611 O PHE B 56 7.476 -18.767 9.212 1.00 36.64 O ATOM 1612 CB PHE B 56 10.368 -17.445 8.072 1.00 25.82 C ATOM 1613 CG PHE B 56 9.464 -16.256 8.192 1.00 34.22 C ATOM 1614 CD1 PHE B 56 9.447 -15.494 9.354 1.00 40.50 C ATOM 1615 CD2 PHE B 56 8.627 -15.897 7.147 1.00 33.70 C ATOM 1616 CE1 PHE B 56 8.612 -14.389 9.466 1.00 42.96 C ATOM 1617 CE2 PHE B 56 7.793 -14.795 7.254 1.00 41.13 C ATOM 1618 CZ PHE B 56 7.785 -14.045 8.417 1.00 43.10 C ATOM 1619 H PHE B 56 11.395 -19.790 7.723 1.00 0.00 H ATOM 1620 N PHE B 57 8.139 -19.329 7.144 1.00 39.27 N ATOM 1621 CA PHE B 57 6.773 -19.533 6.675 1.00 39.62 C ATOM 1622 C PHE B 57 6.107 -20.696 7.366 1.00 40.29 C ATOM 1623 O PHE B 57 4.885 -20.727 7.483 1.00 40.74 O ATOM 1624 CB PHE B 57 6.750 -19.736 5.167 1.00 34.83 C ATOM 1625 CG PHE B 57 6.919 -18.461 4.412 1.00 38.38 C ATOM 1626 CD1 PHE B 57 5.894 -17.535 4.372 1.00 29.31 C ATOM 1627 CD2 PHE B 57 8.109 -18.169 3.775 1.00 41.38 C ATOM 1628 CE1 PHE B 57 6.036 -16.360 3.687 1.00 35.26 C ATOM 1629 CE2 PHE B 57 8.264 -16.983 3.097 1.00 41.95 C ATOM 1630 CZ PHE B 57 7.222 -16.072 3.053 1.00 40.39 C ATOM 1631 H PHE B 57 8.937 -19.501 6.500 1.00 0.00 H ATOM 1632 N ARG B 58 6.910 -21.645 7.834 1.00 38.01 N ATOM 1633 CA ARG B 58 6.354 -22.844 8.438 1.00 48.22 C ATOM 1634 C ARG B 58 5.701 -22.517 9.777 1.00 50.34 C ATOM 1635 O ARG B 58 4.594 -22.976 10.057 1.00 57.53 O ATOM 1636 CB ARG B 58 7.425 -23.919 8.619 1.00 48.97 C ATOM 1637 CG ARG B 58 6.879 -25.320 8.534 1.00 63.66 C ATOM 1638 CD ARG B 58 7.989 -26.349 8.500 1.00 71.87 C ATOM 1639 NE ARG B 58 8.788 -26.242 7.286 1.00 76.10 N ATOM 1640 CZ ARG B 58 8.415 -26.730 6.109 1.00 80.88 C ATOM 1641 NH1 ARG B 58 7.243 -27.347 5.983 1.00 83.67 N ATOM 1642 NH2 ARG B 58 9.208 -26.596 5.055 1.00 80.11 N ATOM 1643 HE ARG B 58 9.705 -25.754 7.345 1.00 0.00 H ATOM 1644 HH12 ARG B 58 6.953 -27.729 5.060 1.00 0.00 H ATOM 1645 HH11 ARG B 58 6.617 -27.448 6.807 1.00 0.00 H ATOM 1646 HH22 ARG B 58 8.916 -26.978 4.133 1.00 0.00 H ATOM 1647 HH21 ARG B 58 10.122 -26.109 5.150 1.00 0.00 H ATOM 1648 H ARG B 58 7.941 -21.529 7.768 1.00 0.00 H ATOM 1649 N GLN B 59 6.374 -21.726 10.608 1.00 43.41 N ATOM 1650 CA GLN B 59 5.782 -21.389 11.893 1.00 52.83 C ATOM 1651 C GLN B 59 4.882 -20.191 11.770 1.00 49.14 C ATOM 1652 O GLN B 59 4.034 -19.956 12.637 1.00 57.46 O ATOM 1653 CB GLN B 59 6.840 -21.133 12.976 1.00 62.88 C ATOM 1654 CG GLN B 59 6.900 -22.261 14.002 1.00 78.14 C ATOM 1655 CD GLN B 59 5.567 -22.440 14.744 1.00 90.70 C ATOM 1656 OE1 GLN B 59 4.720 -23.257 14.351 1.00 96.58 O ATOM 1657 NE2 GLN B 59 5.388 -21.692 15.827 1.00 95.26 N ATOM 1658 HE22 GLN B 59 6.124 -21.019 16.122 1.00 0.00 H ATOM 1659 HE21 GLN B 59 4.512 -21.779 16.380 1.00 0.00 H ATOM 1660 H GLN B 59 7.309 -21.354 10.343 1.00 0.00 H ATOM 1661 N GLY B 60 5.032 -19.457 10.678 1.00 43.22 N ATOM 1662 CA GLY B 60 4.117 -18.372 10.399 1.00 43.46 C ATOM 1663 C GLY B 60 2.735 -18.866 10.008 1.00 54.11 C ATOM 1664 O GLY B 60 1.739 -18.527 10.649 1.00 60.54 O ATOM 1665 H GLY B 60 5.810 -19.661 10.019 1.00 0.00 H ATOM 1666 N LEU B 61 2.683 -19.711 8.983 1.00 56.93 N ATOM 1667 CA LEU B 61 1.414 -20.116 8.381 1.00 55.46 C ATOM 1668 C LEU B 61 0.845 -21.433 8.891 1.00 61.82 C ATOM 1669 O LEU B 61 -0.369 -21.643 8.851 1.00 66.48 O ATOM 1670 CB LEU B 61 1.566 -20.217 6.865 1.00 52.00 C ATOM 1671 CG LEU B 61 1.592 -18.927 6.050 1.00 46.72 C ATOM 1672 CD1 LEU B 61 2.884 -18.177 6.253 1.00 45.81 C ATOM 1673 CD2 LEU B 61 1.405 -19.264 4.593 1.00 42.15 C ATOM 1674 H LEU B 61 3.570 -20.095 8.599 1.00 0.00 H ATOM 1675 N GLY B 62 1.728 -22.311 9.355 1.00 60.74 N ATOM 1676 CA GLY B 62 1.383 -23.687 9.675 1.00 72.82 C ATOM 1677 C GLY B 62 0.086 -23.945 10.425 1.00 82.98 C ATOM 1678 O GLY B 62 -0.800 -24.640 9.918 1.00 88.31 O ATOM 1679 H GLY B 62 2.710 -22.000 9.496 1.00 0.00 H ATOM 1680 N GLY B 63 -0.020 -23.398 11.634 1.00 81.27 N ATOM 1681 CA GLY B 63 -1.200 -23.585 12.460 1.00 78.43 C ATOM 1682 C GLY B 63 -2.256 -22.519 12.237 1.00 80.72 C ATOM 1683 O GLY B 63 -3.345 -22.577 12.809 1.00 83.25 O ATOM 1684 H GLY B 63 0.765 -22.820 11.998 1.00 0.00 H TER 1685 GLY B 63 ATOM 1686 N VAL B 66 -5.180 -19.075 8.947 1.00 40.85 N ATOM 1687 CA VAL B 66 -4.339 -17.969 8.485 1.00 47.78 C ATOM 1688 C VAL B 66 -4.609 -17.545 7.034 1.00 46.77 C ATOM 1689 O VAL B 66 -4.435 -18.337 6.110 1.00 49.11 O ATOM 1690 CB VAL B 66 -2.859 -18.326 8.611 1.00 52.67 C ATOM 1691 CG1 VAL B 66 -2.004 -17.236 7.993 1.00 49.33 C ATOM 1692 CG2 VAL B 66 -2.494 -18.552 10.075 1.00 59.95 C ATOM 1693 HN3 VAL B 66 -5.015 -19.908 8.347 1.00 0.00 H ATOM 1694 HN2 VAL B 66 -6.180 -18.796 8.888 1.00 0.00 H ATOM 1695 HN1 VAL B 66 -4.940 -19.303 9.933 1.00 0.00 H ATOM 1696 N ARG B 67 -5.001 -16.283 6.841 1.00 42.49 N ATOM 1697 CA ARG B 67 -5.497 -15.797 5.545 1.00 40.28 C ATOM 1698 C ARG B 67 -4.876 -14.471 5.079 1.00 39.57 C ATOM 1699 O ARG B 67 -4.599 -13.597 5.898 1.00 37.81 O ATOM 1700 CB ARG B 67 -7.010 -15.630 5.614 1.00 47.47 C ATOM 1701 CG ARG B 67 -7.729 -16.759 6.344 1.00 60.71 C ATOM 1702 CD ARG B 67 -9.140 -16.341 6.693 1.00 70.85 C ATOM 1703 NE ARG B 67 -9.675 -15.458 5.663 1.00 76.57 N ATOM 1704 CZ ARG B 67 -10.421 -14.387 5.907 1.00 79.53 C ATOM 1705 NH1 ARG B 67 -10.741 -14.068 7.157 1.00 83.87 N ATOM 1706 NH2 ARG B 67 -10.856 -13.642 4.897 1.00 75.37 N ATOM 1707 HE ARG B 67 -9.458 -15.682 4.671 1.00 0.00 H ATOM 1708 HH12 ARG B 67 -11.325 -13.229 7.346 1.00 0.00 H ATOM 1709 HH11 ARG B 67 -10.407 -14.658 7.946 1.00 0.00 H ATOM 1710 HH22 ARG B 67 -11.441 -12.802 5.084 1.00 0.00 H ATOM 1711 HH21 ARG B 67 -10.612 -13.898 3.919 1.00 0.00 H ATOM 1712 H ARG B 67 -4.954 -15.618 7.639 1.00 0.00 H ATOM 1713 N ALA B 68 -4.698 -14.305 3.765 1.00 32.46 N ATOM 1714 CA ALA B 68 -4.011 -13.122 3.222 1.00 36.13 C ATOM 1715 C ALA B 68 -4.599 -12.631 1.899 1.00 36.05 C ATOM 1716 O ALA B 68 -4.728 -13.406 0.952 1.00 35.13 O ATOM 1717 CB ALA B 68 -2.539 -13.423 3.040 1.00 36.48 C ATOM 1718 H ALA B 68 -5.054 -15.030 3.110 1.00 0.00 H ATOM 1719 N CYS B 69 -4.954 -11.348 1.830 1.00 25.13 N ATOM 1720 CA CYS B 69 -5.486 -10.783 0.586 1.00 28.50 C ATOM 1721 C CYS B 69 -4.996 -9.364 0.292 1.00 27.87 C ATOM 1722 O CYS B 69 -4.740 -8.582 1.214 1.00 30.09 O ATOM 1723 CB CYS B 69 -7.012 -10.797 0.613 1.00 35.52 C ATOM 1724 SG CYS B 69 -7.714 -10.539 2.239 1.00 82.46 S ATOM 1725 H CYS B 69 -4.852 -10.741 2.668 1.00 0.00 H ATOM 1726 N LEU B 70 -4.857 -9.044 -0.995 1.00 31.10 N ATOM 1727 CA LEU B 70 -4.507 -7.683 -1.424 1.00 28.29 C ATOM 1728 C LEU B 70 -5.629 -6.718 -1.085 1.00 32.46 C ATOM 1729 O LEU B 70 -6.803 -7.049 -1.262 1.00 35.17 O ATOM 1730 CB LEU B 70 -4.262 -7.615 -2.927 1.00 27.20 C ATOM 1731 CG LEU B 70 -3.097 -8.296 -3.618 1.00 32.36 C ATOM 1732 CD1 LEU B 70 -3.323 -8.215 -5.122 1.00 33.33 C ATOM 1733 CD2 LEU B 70 -1.797 -7.629 -3.226 1.00 27.71 C ATOM 1734 H LEU B 70 -5.001 -9.779 -1.716 1.00 0.00 H ATOM 1735 N THR B 71 -5.272 -5.516 -0.643 1.00 30.80 N ATOM 1736 CA THR B 71 -6.263 -4.492 -0.329 1.00 33.62 C ATOM 1737 C THR B 71 -6.281 -3.388 -1.375 1.00 35.36 C ATOM 1738 O THR B 71 -7.108 -2.476 -1.329 1.00 40.35 O ATOM 1739 CB THR B 71 -5.999 -3.865 1.032 1.00 36.26 C ATOM 1740 OG1 THR B 71 -4.648 -3.388 1.069 1.00 31.56 O ATOM 1741 CG2 THR B 71 -6.226 -4.891 2.133 1.00 34.53 C ATOM 1742 HG1 THR B 71 -4.468 -2.978 1.952 1.00 0.00 H ATOM 1743 H THR B 71 -4.262 -5.300 -0.518 1.00 0.00 H ATOM 1744 N GLY B 72 -5.349 -3.475 -2.309 1.00 27.36 N ATOM 1745 CA GLY B 72 -5.284 -2.550 -3.409 1.00 31.20 C ATOM 1746 C GLY B 72 -4.309 -3.129 -4.401 1.00 32.78 C ATOM 1747 O GLY B 72 -3.654 -4.141 -4.119 1.00 30.56 O ATOM 1748 H GLY B 72 -4.642 -4.235 -2.247 1.00 0.00 H ATOM 1749 N PRO B 73 -4.199 -2.484 -5.567 1.00 30.56 N ATOM 1750 CA PRO B 73 -3.387 -2.986 -6.683 1.00 22.56 C ATOM 1751 C PRO B 73 -1.894 -3.085 -6.348 1.00 28.92 C ATOM 1752 O PRO B 73 -1.365 -2.375 -5.476 1.00 25.66 O ATOM 1753 CB PRO B 73 -3.625 -1.947 -7.788 1.00 24.50 C ATOM 1754 CG PRO B 73 -4.105 -0.694 -7.061 1.00 22.05 C ATOM 1755 CD PRO B 73 -4.810 -1.163 -5.835 1.00 25.11 C ATOM 1756 N VAL B 74 -1.209 -3.983 -7.036 1.00 25.11 N ATOM 1757 CA VAL B 74 0.243 -4.033 -6.936 1.00 21.12 C ATOM 1758 C VAL B 74 0.758 -2.801 -7.668 1.00 20.21 C ATOM 1759 O VAL B 74 0.232 -2.438 -8.721 1.00 20.14 O ATOM 1760 CB VAL B 74 0.831 -5.346 -7.545 1.00 35.71 C ATOM 1761 CG1 VAL B 74 2.351 -5.384 -7.455 1.00 15.14 C ATOM 1762 CG2 VAL B 74 0.251 -6.558 -6.842 1.00 30.20 C ATOM 1763 H VAL B 74 -1.709 -4.656 -7.651 1.00 0.00 H ATOM 1764 N ARG B 75 1.755 -2.145 -7.085 1.00 26.21 N ATOM 1765 CA ARG B 75 2.477 -1.048 -7.718 1.00 34.62 C ATOM 1766 C ARG B 75 3.817 -1.597 -8.221 1.00 31.78 C ATOM 1767 O ARG B 75 4.622 -2.053 -7.424 1.00 23.35 O ATOM 1768 CB ARG B 75 2.693 0.111 -6.730 1.00 16.43 C ATOM 1769 CG ARG B 75 1.471 1.035 -6.541 1.00 16.94 C ATOM 1770 CD ARG B 75 0.297 0.408 -5.748 1.00 23.59 C ATOM 1771 NE ARG B 75 -0.529 1.477 -5.169 1.00 20.54 N ATOM 1772 CZ ARG B 75 -1.586 1.302 -4.381 1.00 27.39 C ATOM 1773 NH1 ARG B 75 -2.018 0.086 -4.066 1.00 15.97 N ATOM 1774 NH2 ARG B 75 -2.236 2.365 -3.924 1.00 25.21 N ATOM 1775 HE ARG B 75 -0.263 2.457 -5.395 1.00 0.00 H ATOM 1776 HH12 ARG B 75 -2.847 -0.028 -3.448 1.00 0.00 H ATOM 1777 HH11 ARG B 75 -1.527 -0.753 -4.437 1.00 0.00 H ATOM 1778 HH22 ARG B 75 -3.064 2.243 -3.307 1.00 0.00 H ATOM 1779 HH21 ARG B 75 -1.917 3.320 -4.183 1.00 0.00 H ATOM 1780 H ARG B 75 2.036 -2.429 -6.125 1.00 0.00 H ATOM 1781 N ALA B 76 4.054 -1.579 -9.530 1.00 31.50 N ATOM 1782 CA ALA B 76 5.278 -2.181 -10.058 1.00 31.54 C ATOM 1783 C ALA B 76 6.171 -1.144 -10.700 1.00 29.83 C ATOM 1784 O ALA B 76 5.680 -0.147 -11.204 1.00 37.11 O ATOM 1785 CB ALA B 76 4.943 -3.274 -11.069 1.00 35.03 C ATOM 1786 H ALA B 76 3.370 -1.137 -10.177 1.00 0.00 H ATOM 1787 N SER B 77 7.480 -1.384 -10.682 1.00 28.32 N ATOM 1788 CA SER B 77 8.432 -0.522 -11.375 1.00 37.05 C ATOM 1789 C SER B 77 8.963 -1.185 -12.631 1.00 43.17 C ATOM 1790 O SER B 77 8.560 -2.299 -12.975 1.00 41.10 O ATOM 1791 CB SER B 77 9.613 -0.185 -10.479 1.00 45.40 C ATOM 1792 OG SER B 77 10.606 -1.188 -10.633 1.00 41.22 O ATOM 1793 HG SER B 77 11.380 -0.977 -10.053 1.00 0.00 H ATOM 1794 H SER B 77 7.835 -2.210 -10.159 1.00 0.00 H ATOM 1795 N HIS B 78 9.899 -0.510 -13.293 1.00 41.69 N ATOM 1796 CA HIS B 78 10.523 -1.061 -14.487 1.00 44.85 C ATOM 1797 C HIS B 78 11.909 -1.634 -14.221 1.00 46.47 C ATOM 1798 O HIS B 78 12.603 -2.023 -15.156 1.00 53.77 O ATOM 1799 CB HIS B 78 10.611 0.007 -15.586 1.00 48.04 C ATOM 1800 CG HIS B 78 9.277 0.442 -16.091 1.00 52.69 C ATOM 1801 ND1 HIS B 78 8.361 -0.442 -16.622 1.00 53.22 N ATOM 1802 CD2 HIS B 78 8.678 1.655 -16.111 1.00 59.19 C ATOM 1803 CE1 HIS B 78 7.267 0.209 -16.961 1.00 54.34 C ATOM 1804 NE2 HIS B 78 7.432 1.484 -16.661 1.00 62.18 N ATOM 1805 H HIS B 78 10.190 0.428 -12.951 1.00 0.00 H ATOM 1806 N ASN B 79 12.335 -1.676 -12.967 1.00 41.34 N ATOM 1807 CA ASN B 79 13.635 -2.278 -12.686 1.00 48.57 C ATOM 1808 C ASN B 79 13.503 -3.510 -11.782 1.00 35.27 C ATOM 1809 O ASN B 79 14.393 -3.816 -10.983 1.00 30.66 O ATOM 1810 CB ASN B 79 14.598 -1.249 -12.079 1.00 55.59 C ATOM 1811 CG ASN B 79 14.153 -0.756 -10.717 1.00 58.45 C ATOM 1812 OD1 ASN B 79 12.962 -0.729 -10.414 1.00 51.74 O ATOM 1813 ND2 ASN B 79 15.113 -0.354 -9.889 1.00 62.63 N ATOM 1814 HD22 ASN B 79 16.108 -0.395 -10.188 1.00 0.00 H ATOM 1815 HD21 ASN B 79 14.868 0.001 -8.943 1.00 0.00 H ATOM 1816 H ASN B 79 11.754 -1.287 -12.197 1.00 0.00 H ATOM 1817 N GLY B 80 12.382 -4.212 -11.929 1.00 33.51 N ATOM 1818 CA GLY B 80 12.200 -5.518 -11.329 1.00 33.75 C ATOM 1819 C GLY B 80 11.748 -5.475 -9.897 1.00 38.51 C ATOM 1820 O GLY B 80 11.857 -6.469 -9.175 1.00 38.82 O ATOM 1821 H GLY B 80 11.609 -3.808 -12.495 1.00 0.00 H ATOM 1822 N CYS B 81 11.232 -4.326 -9.472 1.00 32.72 N ATOM 1823 CA CYS B 81 10.730 -4.218 -8.114 1.00 19.77 C ATOM 1824 C CYS B 81 9.247 -3.893 -8.131 1.00 21.44 C ATOM 1825 O CYS B 81 8.687 -3.549 -9.175 1.00 27.54 O ATOM 1826 CB CYS B 81 11.521 -3.176 -7.333 1.00 20.09 C ATOM 1827 SG CYS B 81 13.315 -3.308 -7.571 1.00 67.80 S ATOM 1828 H CYS B 81 11.188 -3.506 -10.111 1.00 0.00 H ATOM 1829 N GLY B 82 8.602 -4.053 -6.986 1.00 16.89 N ATOM 1830 CA GLY B 82 7.177 -3.797 -6.869 1.00 23.98 C ATOM 1831 C GLY B 82 6.799 -3.691 -5.401 1.00 20.42 C ATOM 1832 O GLY B 82 7.606 -3.992 -4.534 1.00 17.01 O ATOM 1833 H GLY B 82 9.130 -4.370 -6.148 1.00 0.00 H ATOM 1834 N ALA B 83 5.585 -3.250 -5.106 1.00 15.66 N ATOM 1835 CA ALA B 83 5.168 -3.083 -3.712 1.00 17.62 C ATOM 1836 C ALA B 83 3.681 -3.291 -3.633 1.00 14.16 C ATOM 1837 O ALA B 83 2.967 -2.922 -4.567 1.00 17.03 O ATOM 1838 CB ALA B 83 5.551 -1.677 -3.180 1.00 23.33 C ATOM 1839 H ALA B 83 4.921 -3.020 -5.873 1.00 0.00 H ATOM 1840 N MET B 84 3.180 -3.857 -2.538 1.00 12.42 N ATOM 1841 CA MET B 84 1.734 -4.050 -2.466 1.00 12.38 C ATOM 1842 C MET B 84 1.136 -3.956 -1.068 1.00 14.97 C ATOM 1843 O MET B 84 1.779 -4.331 -0.076 1.00 21.04 O ATOM 1844 CB MET B 84 1.390 -5.410 -3.055 1.00 21.00 C ATOM 1845 CG MET B 84 2.084 -6.533 -2.351 1.00 20.86 C ATOM 1846 SD MET B 84 1.851 -8.151 -3.153 1.00 42.59 S ATOM 1847 CE MET B 84 2.985 -9.126 -2.159 1.00 26.39 C ATOM 1848 H MET B 84 3.799 -4.153 -1.757 1.00 0.00 H ATOM 1849 N PRO B 85 -0.113 -3.474 -0.982 1.00 19.92 N ATOM 1850 CA PRO B 85 -0.785 -3.456 0.311 1.00 25.39 C ATOM 1851 C PRO B 85 -1.579 -4.732 0.482 1.00 13.44 C ATOM 1852 O PRO B 85 -2.376 -5.130 -0.380 1.00 22.64 O ATOM 1853 CB PRO B 85 -1.719 -2.243 0.212 1.00 18.62 C ATOM 1854 CG PRO B 85 -2.122 -2.223 -1.273 1.00 16.81 C ATOM 1855 CD PRO B 85 -0.980 -2.923 -2.051 1.00 17.75 C ATOM 1856 N PHE B 86 -1.415 -5.379 1.616 1.00 13.51 N ATOM 1857 CA PHE B 86 -2.342 -6.452 1.869 1.00 14.29 C ATOM 1858 C PHE B 86 -2.638 -6.525 3.331 1.00 21.08 C ATOM 1859 O PHE B 86 -2.065 -5.779 4.130 1.00 19.10 O ATOM 1860 CB PHE B 86 -1.808 -7.800 1.327 1.00 13.96 C ATOM 1861 CG PHE B 86 -0.484 -8.226 1.905 1.00 24.00 C ATOM 1862 CD1 PHE B 86 0.701 -7.654 1.465 1.00 30.06 C ATOM 1863 CD2 PHE B 86 -0.417 -9.234 2.846 1.00 27.94 C ATOM 1864 CE1 PHE B 86 1.934 -8.053 1.980 1.00 22.36 C ATOM 1865 CE2 PHE B 86 0.809 -9.642 3.367 1.00 27.45 C ATOM 1866 CZ PHE B 86 1.985 -9.044 2.926 1.00 30.45 C ATOM 1867 H PHE B 86 -0.662 -5.131 2.289 1.00 0.00 H ATOM 1868 N ARG B 87 -3.573 -7.410 3.655 1.00 19.22 N ATOM 1869 CA ARG B 87 -3.997 -7.642 5.017 1.00 27.68 C ATOM 1870 C ARG B 87 -3.884 -9.117 5.328 1.00 20.53 C ATOM 1871 O ARG B 87 -4.330 -9.964 4.538 1.00 18.47 O ATOM 1872 CB ARG B 87 -5.437 -7.179 5.231 1.00 31.11 C ATOM 1873 CG ARG B 87 -5.978 -7.575 6.589 1.00 41.33 C ATOM 1874 CD ARG B 87 -7.306 -6.916 6.847 1.00 50.93 C ATOM 1875 NE ARG B 87 -7.194 -5.471 6.731 1.00 62.86 N ATOM 1876 CZ ARG B 87 -8.155 -4.621 7.072 1.00 78.20 C ATOM 1877 NH1 ARG B 87 -9.303 -5.080 7.559 1.00 82.44 N ATOM 1878 NH2 ARG B 87 -7.966 -3.314 6.931 1.00 81.58 N ATOM 1879 HE ARG B 87 -6.306 -5.079 6.358 1.00 0.00 H ATOM 1880 HH12 ARG B 87 -10.057 -4.416 7.827 1.00 0.00 H ATOM 1881 HH11 ARG B 87 -9.447 -6.104 7.672 1.00 0.00 H ATOM 1882 HH22 ARG B 87 -8.719 -2.648 7.198 1.00 0.00 H ATOM 1883 HH21 ARG B 87 -7.065 -2.957 6.553 1.00 0.00 H ATOM 1884 H ARG B 87 -4.020 -7.961 2.895 1.00 0.00 H ATOM 1885 N VAL B 88 -3.272 -9.425 6.464 1.00 20.80 N ATOM 1886 CA VAL B 88 -3.178 -10.802 6.918 1.00 27.02 C ATOM 1887 C VAL B 88 -4.171 -10.994 8.041 1.00 35.99 C ATOM 1888 O VAL B 88 -4.299 -10.125 8.898 1.00 37.59 O ATOM 1889 CB VAL B 88 -1.777 -11.137 7.414 1.00 30.77 C ATOM 1890 CG1 VAL B 88 -1.730 -12.565 7.897 1.00 24.84 C ATOM 1891 CG2 VAL B 88 -0.755 -10.896 6.313 1.00 29.27 C ATOM 1892 H VAL B 88 -2.852 -8.667 7.040 1.00 0.00 H ATOM 1893 N GLU B 89 -4.893 -12.110 8.031 1.00 23.49 N ATOM 1894 CA GLU B 89 -5.792 -12.442 9.140 1.00 36.36 C ATOM 1895 C GLU B 89 -5.472 -13.805 9.772 1.00 42.38 C ATOM 1896 O GLU B 89 -4.978 -14.713 9.107 1.00 46.22 O ATOM 1897 CB GLU B 89 -7.245 -12.409 8.677 1.00 44.55 C ATOM 1898 CG GLU B 89 -7.737 -11.019 8.321 1.00 58.84 C ATOM 1899 CD GLU B 89 -9.241 -10.972 8.118 1.00 78.40 C ATOM 1900 OE1 GLU B 89 -9.980 -11.530 8.963 1.00 81.49 O ATOM 1901 OE2 GLU B 89 -9.684 -10.375 7.112 1.00 86.24 O ATOM 1902 H GLU B 89 -4.819 -12.759 7.222 1.00 0.00 H ATOM 1903 N MET B 90 -5.776 -13.953 11.058 1.00 49.85 N ATOM 1904 CA MET B 90 -5.205 -15.050 11.831 1.00 53.95 C ATOM 1905 C MET B 90 -5.828 -15.246 13.205 1.00 60.02 C ATOM 1906 O MET B 90 -6.826 -14.611 13.545 1.00 63.84 O ATOM 1907 CB MET B 90 -3.722 -14.794 12.015 1.00 55.82 C ATOM 1908 CG MET B 90 -3.495 -13.464 12.712 1.00 62.01 C ATOM 1909 SD MET B 90 -2.025 -12.600 12.168 1.00143.45 S ATOM 1910 CE MET B 90 -0.809 -13.833 12.601 1.00 34.07 C ATOM 1911 H MET B 90 -6.425 -13.282 11.516 1.00 0.00 H ATOM 1912 N VAL B 91 -5.209 -16.125 13.992 1.00 61.89 N ATOM 1913 CA VAL B 91 -5.591 -16.336 15.385 1.00 66.33 C ATOM 1914 C VAL B 91 -4.360 -16.424 16.291 1.00 69.77 C ATOM 1915 O VAL B 91 -3.238 -16.631 15.820 1.00 68.55 O ATOM 1916 CB VAL B 91 -6.432 -17.611 15.560 1.00 62.26 C ATOM 1917 CG1 VAL B 91 -6.509 -17.974 17.025 1.00 68.95 C ATOM 1918 CG2 VAL B 91 -7.829 -17.416 14.979 1.00 58.30 C ATOM 1919 H VAL B 91 -4.424 -16.682 13.599 1.00 0.00 H TER 1920 VAL B 91 ATOM 1921 N PRO B 96 -7.495 -14.397 17.170 1.00 74.05 N ATOM 1922 CA PRO B 96 -8.552 -13.798 16.350 1.00 73.26 C ATOM 1923 C PRO B 96 -8.279 -12.327 16.010 1.00 73.65 C ATOM 1924 O PRO B 96 -8.834 -11.438 16.648 1.00 83.22 O ATOM 1925 CB PRO B 96 -9.805 -13.936 17.229 1.00 76.98 C ATOM 1926 CG PRO B 96 -9.293 -14.220 18.608 1.00 78.66 C ATOM 1927 CD PRO B 96 -8.019 -14.953 18.424 1.00 76.43 C ATOM 1928 HN2 PRO B 96 -6.790 -13.666 17.395 1.00 0.00 H ATOM 1929 HN1 PRO B 96 -7.041 -15.160 16.628 1.00 0.00 H ATOM 1930 N CYS B 97 -7.481 -12.072 14.977 1.00 67.63 N ATOM 1931 CA CYS B 97 -7.080 -10.704 14.661 1.00 61.99 C ATOM 1932 C CYS B 97 -6.723 -10.463 13.190 1.00 57.55 C ATOM 1933 O CYS B 97 -6.984 -11.288 12.313 1.00 53.10 O ATOM 1934 CB CYS B 97 -5.905 -10.306 15.547 1.00 59.82 C ATOM 1935 SG CYS B 97 -4.532 -11.453 15.441 1.00 82.85 S ATOM 1936 H CYS B 97 -7.138 -12.857 14.387 1.00 0.00 H ATOM 1937 N ALA B 98 -6.138 -9.298 12.934 1.00 51.76 N ATOM 1938 CA ALA B 98 -5.887 -8.844 11.574 1.00 42.58 C ATOM 1939 C ALA B 98 -4.731 -7.862 11.542 1.00 44.83 C ATOM 1940 O ALA B 98 -4.483 -7.126 12.494 1.00 51.15 O ATOM 1941 CB ALA B 98 -7.137 -8.213 10.988 1.00 38.79 C ATOM 1942 H ALA B 98 -5.851 -8.692 13.729 1.00 0.00 H ATOM 1943 N LEU B 99 -4.030 -7.839 10.427 1.00 38.19 N ATOM 1944 CA LEU B 99 -2.801 -7.093 10.351 1.00 33.02 C ATOM 1945 C LEU B 99 -2.616 -6.469 8.977 1.00 37.26 C ATOM 1946 O LEU B 99 -2.589 -7.191 7.986 1.00 38.15 O ATOM 1947 CB LEU B 99 -1.631 -8.007 10.666 1.00 21.35 C ATOM 1948 CG LEU B 99 -0.285 -7.313 10.506 1.00 39.47 C ATOM 1949 CD1 LEU B 99 -0.086 -6.250 11.610 1.00 37.59 C ATOM 1950 CD2 LEU B 99 0.838 -8.329 10.502 1.00 27.01 C ATOM 1951 H LEU B 99 -4.367 -8.364 9.595 1.00 0.00 H ATOM 1952 N ASP B 100 -2.487 -5.137 8.922 1.00 21.27 N ATOM 1953 CA ASP B 100 -2.294 -4.440 7.648 1.00 18.07 C ATOM 1954 C ASP B 100 -0.804 -4.397 7.306 1.00 20.68 C ATOM 1955 O ASP B 100 0.037 -4.069 8.139 1.00 19.14 O ATOM 1956 CB ASP B 100 -2.880 -3.033 7.699 1.00 43.70 C ATOM 1957 CG ASP B 100 -4.402 -3.031 7.631 1.00 57.33 C ATOM 1958 OD1 ASP B 100 -4.961 -3.750 6.771 1.00 63.78 O ATOM 1959 OD2 ASP B 100 -5.040 -2.317 8.442 1.00 59.18 O ATOM 1960 H ASP B 100 -2.525 -4.586 9.803 1.00 0.00 H ATOM 1961 N VAL B 101 -0.476 -4.766 6.080 1.00 21.82 N ATOM 1962 CA VAL B 101 0.914 -4.950 5.677 1.00 14.25 C ATOM 1963 C VAL B 101 1.170 -4.396 4.289 1.00 20.14 C ATOM 1964 O VAL B 101 0.291 -4.439 3.420 1.00 21.33 O ATOM 1965 CB VAL B 101 1.317 -6.459 5.650 1.00 24.04 C ATOM 1966 CG1 VAL B 101 2.827 -6.606 5.477 1.00 20.08 C ATOM 1967 CG2 VAL B 101 0.853 -7.197 6.919 1.00 31.56 C ATOM 1968 H VAL B 101 -1.230 -4.930 5.383 1.00 0.00 H ATOM 1969 N ILE B 102 2.391 -3.918 4.090 1.00 12.95 N ATOM 1970 CA ILE B 102 2.924 -3.535 2.795 1.00 12.41 C ATOM 1971 C ILE B 102 4.269 -4.239 2.586 1.00 12.09 C ATOM 1972 O ILE B 102 5.206 -4.044 3.360 1.00 19.47 O ATOM 1973 CB ILE B 102 3.090 -1.996 2.679 1.00 12.88 C ATOM 1974 CG1 ILE B 102 1.771 -1.367 2.206 1.00 19.74 C ATOM 1975 CG2 ILE B 102 4.248 -1.609 1.700 1.00 14.54 C ATOM 1976 CD1 ILE B 102 1.827 0.119 1.988 1.00 13.98 C ATOM 1977 H ILE B 102 3.010 -3.810 4.919 1.00 0.00 H ATOM 1978 N ASP B 103 4.323 -5.107 1.578 1.00 16.30 N ATOM 1979 CA ASP B 103 5.549 -5.792 1.154 1.00 22.72 C ATOM 1980 C ASP B 103 6.254 -5.055 0.007 1.00 27.94 C ATOM 1981 O ASP B 103 5.604 -4.658 -0.953 1.00 23.37 O ATOM 1982 CB ASP B 103 5.235 -7.213 0.678 1.00 31.85 C ATOM 1983 CG ASP B 103 5.443 -8.256 1.749 1.00 48.62 C ATOM 1984 OD1 ASP B 103 5.107 -7.998 2.920 1.00 49.84 O ATOM 1985 OD2 ASP B 103 5.949 -9.345 1.409 1.00 60.44 O ATOM 1986 H ASP B 103 3.444 -5.311 1.061 1.00 0.00 H ATOM 1987 N VAL B 104 7.576 -4.927 0.082 1.00 24.40 N ATOM 1988 CA VAL B 104 8.357 -4.404 -1.023 1.00 16.26 C ATOM 1989 C VAL B 104 9.339 -5.453 -1.533 1.00 27.81 C ATOM 1990 O VAL B 104 10.186 -5.936 -0.778 1.00 27.18 O ATOM 1991 CB VAL B 104 9.128 -3.148 -0.609 1.00 26.30 C ATOM 1992 CG1 VAL B 104 10.201 -2.829 -1.633 1.00 25.88 C ATOM 1993 CG2 VAL B 104 8.170 -1.982 -0.457 1.00 25.02 C ATOM 1994 H VAL B 104 8.063 -5.210 0.957 1.00 0.00 H ATOM 1995 N MET B 105 9.238 -5.806 -2.814 1.00 28.19 N ATOM 1996 CA MET B 105 10.022 -6.926 -3.343 1.00 24.25 C ATOM 1997 C MET B 105 10.909 -6.594 -4.528 1.00 27.60 C ATOM 1998 O MET B 105 10.457 -5.976 -5.474 1.00 24.07 O ATOM 1999 CB MET B 105 9.086 -8.046 -3.772 1.00 36.49 C ATOM 2000 CG MET B 105 8.305 -8.685 -2.654 1.00 41.63 C ATOM 2001 SD MET B 105 7.373 -10.079 -3.314 1.00 52.53 S ATOM 2002 CE MET B 105 6.955 -10.931 -1.797 1.00 70.88 C ATOM 2003 H MET B 105 8.597 -5.282 -3.444 1.00 0.00 H ATOM 2004 N ARG B 106 12.157 -7.044 -4.511 1.00 17.39 N ATOM 2005 CA ARG B 106 12.984 -6.942 -5.707 1.00 19.24 C ATOM 2006 C ARG B 106 13.207 -8.328 -6.301 1.00 32.10 C ATOM 2007 O ARG B 106 13.567 -9.268 -5.586 1.00 27.82 O ATOM 2008 CB ARG B 106 14.326 -6.291 -5.407 1.00 20.69 C ATOM 2009 CG ARG B 106 15.449 -6.857 -6.224 1.00 51.72 C ATOM 2010 CD ARG B 106 16.708 -6.046 -6.096 1.00 58.40 C ATOM 2011 NE ARG B 106 16.751 -5.003 -7.110 1.00 71.90 N ATOM 2012 CZ ARG B 106 16.705 -3.706 -6.838 1.00 77.74 C ATOM 2013 NH1 ARG B 106 16.618 -3.302 -5.576 1.00 78.87 N ATOM 2014 NH2 ARG B 106 16.746 -2.816 -7.826 1.00 77.73 N ATOM 2015 HE ARG B 106 16.822 -5.292 -8.107 1.00 0.00 H ATOM 2016 HH12 ARG B 106 16.582 -2.286 -5.357 1.00 0.00 H ATOM 2017 HH11 ARG B 106 16.586 -4.002 -4.807 1.00 0.00 H ATOM 2018 HH22 ARG B 106 16.710 -1.799 -7.612 1.00 0.00 H ATOM 2019 HH21 ARG B 106 16.814 -3.137 -8.813 1.00 0.00 H ATOM 2020 H ARG B 106 12.545 -7.469 -3.645 1.00 0.00 H ATOM 2021 N PHE B 107 12.996 -8.438 -7.610 1.00 34.99 N ATOM 2022 CA PHE B 107 13.135 -9.690 -8.339 1.00 27.70 C ATOM 2023 C PHE B 107 14.432 -9.740 -9.097 1.00 32.70 C ATOM 2024 O PHE B 107 14.921 -8.719 -9.556 1.00 34.64 O ATOM 2025 CB PHE B 107 11.978 -9.869 -9.313 1.00 26.46 C ATOM 2026 CG PHE B 107 10.660 -10.095 -8.644 1.00 32.68 C ATOM 2027 CD1 PHE B 107 9.908 -9.031 -8.183 1.00 30.81 C ATOM 2028 CD2 PHE B 107 10.174 -11.378 -8.471 1.00 38.49 C ATOM 2029 CE1 PHE B 107 8.695 -9.240 -7.561 1.00 37.81 C ATOM 2030 CE2 PHE B 107 8.958 -11.597 -7.859 1.00 29.30 C ATOM 2031 CZ PHE B 107 8.215 -10.521 -7.398 1.00 38.71 C ATOM 2032 H PHE B 107 12.718 -7.587 -8.139 1.00 0.00 H ATOM 2033 N ASP B 108 14.983 -10.941 -9.223 1.00 39.35 N ATOM 2034 CA ASP B 108 16.205 -11.174 -9.983 1.00 47.65 C ATOM 2035 C ASP B 108 15.926 -11.480 -11.458 1.00 52.34 C ATOM 2036 O ASP B 108 14.778 -11.469 -11.911 1.00 30.15 O ATOM 2037 CB ASP B 108 17.014 -12.328 -9.363 1.00 63.49 C ATOM 2038 CG ASP B 108 16.253 -13.677 -9.355 1.00 71.60 C ATOM 2039 OD1 ASP B 108 15.356 -13.926 -10.193 1.00 68.04 O ATOM 2040 OD2 ASP B 108 16.585 -14.518 -8.496 1.00 80.68 O ATOM 2041 H ASP B 108 14.523 -11.751 -8.760 1.00 0.00 H ATOM 2042 N GLU B 109 16.988 -11.798 -12.189 1.00 51.91 N ATOM 2043 CA GLU B 109 16.903 -12.055 -13.623 1.00 58.60 C ATOM 2044 C GLU B 109 16.362 -13.445 -13.944 1.00 63.19 C ATOM 2045 O GLU B 109 16.515 -13.919 -15.065 1.00 68.81 O ATOM 2046 CB GLU B 109 18.280 -11.884 -14.266 1.00 70.88 C ATOM 2047 CG GLU B 109 19.365 -12.740 -13.629 1.00 82.66 C ATOM 2048 CD GLU B 109 19.904 -12.141 -12.341 1.00 92.95 C ATOM 2049 OE1 GLU B 109 20.179 -10.922 -12.324 1.00 97.87 O ATOM 2050 OE2 GLU B 109 20.032 -12.882 -11.342 1.00 95.53 O ATOM 2051 H GLU B 109 17.915 -11.866 -11.722 1.00 0.00 H ATOM 2052 N HIS B 110 15.755 -14.104 -12.959 1.00 61.32 N ATOM 2053 CA HIS B 110 15.148 -15.418 -13.170 1.00 56.40 C ATOM 2054 C HIS B 110 13.694 -15.404 -12.776 1.00 46.24 C ATOM 2055 O HIS B 110 13.023 -16.436 -12.778 1.00 43.79 O ATOM 2056 CB HIS B 110 15.890 -16.489 -12.384 1.00 59.16 C ATOM 2057 CG HIS B 110 17.308 -16.646 -12.810 1.00 68.63 C ATOM 2058 ND1 HIS B 110 18.372 -16.480 -11.945 1.00 73.29 N ATOM 2059 CD2 HIS B 110 17.850 -16.929 -14.017 1.00 77.00 C ATOM 2060 CE1 HIS B 110 19.499 -16.662 -12.600 1.00 79.72 C ATOM 2061 NE2 HIS B 110 19.212 -16.938 -13.863 1.00 83.41 N ATOM 2062 H HIS B 110 15.711 -13.673 -12.014 1.00 0.00 H ATOM 2063 N GLY B 111 13.217 -14.215 -12.434 1.00 36.52 N ATOM 2064 CA GLY B 111 11.867 -14.054 -11.942 1.00 34.08 C ATOM 2065 C GLY B 111 11.718 -14.481 -10.494 1.00 34.42 C ATOM 2066 O GLY B 111 10.598 -14.649 -10.000 1.00 36.47 O ATOM 2067 H GLY B 111 13.828 -13.378 -12.522 1.00 0.00 H ATOM 2068 N ARG B 112 12.830 -14.659 -9.790 1.00 33.14 N ATOM 2069 CA ARG B 112 12.717 -15.032 -8.384 1.00 24.62 C ATOM 2070 C ARG B 112 12.980 -13.841 -7.472 1.00 24.45 C ATOM 2071 O ARG B 112 13.597 -12.868 -7.877 1.00 23.59 O ATOM 2072 CB ARG B 112 13.666 -16.187 -8.070 1.00 32.70 C ATOM 2073 CG ARG B 112 13.135 -17.534 -8.571 1.00 35.17 C ATOM 2074 CD ARG B 112 13.955 -18.677 -8.052 1.00 46.26 C ATOM 2075 NE ARG B 112 15.025 -19.029 -8.976 1.00 60.36 N ATOM 2076 CZ ARG B 112 14.878 -19.873 -9.989 1.00 65.00 C ATOM 2077 NH1 ARG B 112 13.701 -20.445 -10.208 1.00 66.55 N ATOM 2078 NH2 ARG B 112 15.904 -20.136 -10.787 1.00 65.24 N ATOM 2079 HE ARG B 112 15.958 -18.593 -8.833 1.00 0.00 H ATOM 2080 HH12 ARG B 112 13.584 -21.107 -11.002 1.00 0.00 H ATOM 2081 HH11 ARG B 112 12.895 -20.232 -9.586 1.00 0.00 H ATOM 2082 HH22 ARG B 112 15.789 -20.798 -11.581 1.00 0.00 H ATOM 2083 HH21 ARG B 112 16.824 -19.681 -10.619 1.00 0.00 H ATOM 2084 H ARG B 112 13.763 -14.535 -10.232 1.00 0.00 H ATOM 2085 N ILE B 113 12.493 -13.930 -6.240 1.00 26.42 N ATOM 2086 CA ILE B 113 12.589 -12.841 -5.287 1.00 24.28 C ATOM 2087 C ILE B 113 13.946 -12.805 -4.651 1.00 22.42 C ATOM 2088 O ILE B 113 14.362 -13.757 -3.994 1.00 33.64 O ATOM 2089 CB ILE B 113 11.569 -12.983 -4.201 1.00 18.23 C ATOM 2090 CG1 ILE B 113 10.170 -12.832 -4.791 1.00 19.99 C ATOM 2091 CG2 ILE B 113 11.827 -11.976 -3.105 1.00 24.31 C ATOM 2092 CD1 ILE B 113 9.106 -13.125 -3.789 1.00 16.27 C ATOM 2093 H ILE B 113 12.026 -14.812 -5.948 1.00 0.00 H ATOM 2094 N GLN B 114 14.652 -11.711 -4.844 1.00 21.38 N ATOM 2095 CA GLN B 114 15.983 -11.614 -4.274 1.00 22.68 C ATOM 2096 C GLN B 114 15.936 -10.951 -2.896 1.00 32.55 C ATOM 2097 O GLN B 114 16.656 -11.347 -1.976 1.00 30.66 O ATOM 2098 CB GLN B 114 16.913 -10.854 -5.213 1.00 33.77 C ATOM 2099 CG GLN B 114 18.366 -10.973 -4.820 1.00 50.10 C ATOM 2100 CD GLN B 114 19.297 -10.857 -6.008 1.00 70.17 C ATOM 2101 OE1 GLN B 114 18.920 -10.330 -7.057 1.00 79.71 O ATOM 2102 NE2 GLN B 114 20.523 -11.356 -5.854 1.00 72.97 N ATOM 2103 HE22 GLN B 114 20.797 -11.792 -4.950 1.00 0.00 H ATOM 2104 HE21 GLN B 114 21.205 -11.310 -6.637 1.00 0.00 H ATOM 2105 H GLN B 114 14.260 -10.924 -5.399 1.00 0.00 H ATOM 2106 N THR B 115 15.063 -9.961 -2.747 1.00 37.49 N ATOM 2107 CA THR B 115 14.927 -9.248 -1.486 1.00 39.30 C ATOM 2108 C THR B 115 13.468 -8.985 -1.199 1.00 31.65 C ATOM 2109 O THR B 115 12.714 -8.627 -2.086 1.00 30.00 O ATOM 2110 CB THR B 115 15.707 -7.913 -1.503 1.00 51.44 C ATOM 2111 OG1 THR B 115 17.110 -8.189 -1.509 1.00 54.32 O ATOM 2112 CG2 THR B 115 15.390 -7.069 -0.282 1.00 52.43 C ATOM 2113 HG1 THR B 115 17.347 -8.703 -0.697 1.00 0.00 H ATOM 2114 H THR B 115 14.462 -9.689 -3.551 1.00 0.00 H ATOM 2115 N MET B 116 13.067 -9.187 0.046 1.00 31.56 N ATOM 2116 CA MET B 116 11.720 -8.859 0.466 1.00 26.21 C ATOM 2117 C MET B 116 11.800 -8.120 1.801 1.00 28.25 C ATOM 2118 O MET B 116 12.452 -8.579 2.742 1.00 26.23 O ATOM 2119 CB MET B 116 10.869 -10.125 0.574 1.00 31.11 C ATOM 2120 CG MET B 116 9.383 -9.878 0.705 1.00 30.32 C ATOM 2121 SD MET B 116 8.798 -10.032 2.401 1.00139.12 S ATOM 2122 CE MET B 116 8.610 -11.804 2.538 1.00 85.23 C ATOM 2123 H MET B 116 13.732 -9.589 0.737 1.00 0.00 H ATOM 2124 N GLN B 117 11.188 -6.943 1.854 1.00 22.07 N ATOM 2125 CA GLN B 117 11.046 -6.198 3.091 1.00 26.01 C ATOM 2126 C GLN B 117 9.563 -6.002 3.353 1.00 21.58 C ATOM 2127 O GLN B 117 8.850 -5.523 2.484 1.00 24.63 O ATOM 2128 CB GLN B 117 11.760 -4.849 3.006 1.00 25.88 C ATOM 2129 CG GLN B 117 13.140 -4.931 2.404 1.00 42.99 C ATOM 2130 CD GLN B 117 13.556 -3.621 1.770 1.00 58.65 C ATOM 2131 OE1 GLN B 117 14.400 -2.898 2.303 1.00 63.87 O ATOM 2132 NE2 GLN B 117 12.951 -3.299 0.630 1.00 64.45 N ATOM 2133 HE22 GLN B 117 12.245 -3.941 0.217 1.00 0.00 H ATOM 2134 HE21 GLN B 117 13.184 -2.405 0.152 1.00 0.00 H ATOM 2135 H GLN B 117 10.797 -6.541 0.978 1.00 0.00 H ATOM 2136 N ALA B 118 9.100 -6.381 4.540 1.00 13.83 N ATOM 2137 CA ALA B 118 7.705 -6.162 4.921 1.00 21.57 C ATOM 2138 C ALA B 118 7.593 -5.029 5.937 1.00 25.19 C ATOM 2139 O ALA B 118 8.278 -5.036 6.962 1.00 33.86 O ATOM 2140 CB ALA B 118 7.103 -7.434 5.485 1.00 25.05 C ATOM 2141 H ALA B 118 9.744 -6.844 5.213 1.00 0.00 H ATOM 2142 N PHE B 119 6.733 -4.055 5.642 1.00 16.76 N ATOM 2143 CA PHE B 119 6.502 -2.912 6.524 1.00 14.77 C ATOM 2144 C PHE B 119 5.228 -3.116 7.340 1.00 21.99 C ATOM 2145 O PHE B 119 4.144 -3.273 6.779 1.00 15.26 O ATOM 2146 CB PHE B 119 6.380 -1.601 5.712 1.00 20.91 C ATOM 2147 CG PHE B 119 7.655 -1.190 4.998 1.00 25.24 C ATOM 2148 CD1 PHE B 119 8.060 -1.835 3.827 1.00 24.65 C ATOM 2149 CD2 PHE B 119 8.427 -0.150 5.485 1.00 20.54 C ATOM 2150 CE1 PHE B 119 9.226 -1.465 3.167 1.00 21.40 C ATOM 2151 CE2 PHE B 119 9.588 0.230 4.828 1.00 29.75 C ATOM 2152 CZ PHE B 119 9.986 -0.429 3.662 1.00 28.46 C ATOM 2153 H PHE B 119 6.205 -4.110 4.748 1.00 0.00 H ATOM 2154 N TRP B 120 5.364 -3.093 8.659 1.00 18.80 N ATOM 2155 CA TRP B 120 4.232 -3.162 9.562 1.00 19.07 C ATOM 2156 C TRP B 120 4.735 -3.041 10.979 1.00 24.58 C ATOM 2157 O TRP B 120 5.922 -3.189 11.241 1.00 21.64 O ATOM 2158 CB TRP B 120 3.443 -4.465 9.410 1.00 28.99 C ATOM 2159 CG TRP B 120 4.230 -5.678 9.732 1.00 26.08 C ATOM 2160 CD1 TRP B 120 5.032 -6.390 8.879 1.00 21.59 C ATOM 2161 CD2 TRP B 120 4.302 -6.341 11.002 1.00 18.61 C ATOM 2162 NE1 TRP B 120 5.601 -7.448 9.547 1.00 18.08 N ATOM 2163 CE2 TRP B 120 5.165 -7.444 10.847 1.00 21.94 C ATOM 2164 CE3 TRP B 120 3.714 -6.113 12.247 1.00 25.45 C ATOM 2165 CZ2 TRP B 120 5.465 -8.311 11.896 1.00 25.74 C ATOM 2166 CZ3 TRP B 120 4.017 -6.983 13.301 1.00 29.27 C ATOM 2167 CH2 TRP B 120 4.879 -8.065 13.112 1.00 27.61 C ATOM 2168 HE1 TRP B 120 6.257 -8.141 9.133 1.00 0.00 H ATOM 2169 H TRP B 120 6.320 -3.023 9.061 1.00 0.00 H ATOM 2170 N SER B 121 3.819 -2.731 11.883 1.00 24.52 N ATOM 2171 CA SER B 121 4.115 -2.735 13.295 1.00 26.36 C ATOM 2172 C SER B 121 2.789 -2.880 14.014 1.00 28.57 C ATOM 2173 O SER B 121 1.740 -3.067 13.373 1.00 24.81 O ATOM 2174 CB SER B 121 4.842 -1.460 13.710 1.00 34.04 C ATOM 2175 OG SER B 121 3.932 -0.379 13.794 1.00 34.54 O ATOM 2176 HG SER B 121 4.418 0.440 14.064 1.00 0.00 H ATOM 2177 H SER B 121 2.861 -2.478 11.567 1.00 0.00 H ATOM 2178 N GLU B 122 2.839 -2.774 15.336 1.00 33.93 N ATOM 2179 CA GLU B 122 1.692 -3.014 16.197 1.00 37.35 C ATOM 2180 C GLU B 122 0.543 -2.025 15.970 1.00 39.81 C ATOM 2181 O GLU B 122 -0.612 -2.341 16.248 1.00 42.82 O ATOM 2182 CB GLU B 122 2.141 -2.973 17.655 1.00 51.57 C ATOM 2183 CG GLU B 122 3.253 -3.967 17.983 1.00 67.53 C ATOM 2184 CD GLU B 122 4.648 -3.461 17.620 1.00 78.58 C ATOM 2185 OE1 GLU B 122 4.754 -2.526 16.798 1.00 81.23 O ATOM 2186 OE2 GLU B 122 5.640 -3.999 18.163 1.00 81.79 O ATOM 2187 H GLU B 122 3.742 -2.506 15.777 1.00 0.00 H ATOM 2188 N VAL B 123 0.848 -0.840 15.453 1.00 37.08 N ATOM 2189 CA VAL B 123 -0.205 0.133 15.185 1.00 39.90 C ATOM 2190 C VAL B 123 -1.065 -0.352 14.019 1.00 39.71 C ATOM 2191 O VAL B 123 -2.193 0.093 13.830 1.00 47.06 O ATOM 2192 CB VAL B 123 0.378 1.537 14.887 1.00 40.71 C ATOM 2193 CG1 VAL B 123 1.131 2.050 16.095 1.00 48.41 C ATOM 2194 CG2 VAL B 123 1.300 1.502 13.686 1.00 39.35 C ATOM 2195 H VAL B 123 1.838 -0.606 15.239 1.00 0.00 H ATOM 2196 N ASN B 124 -0.524 -1.296 13.258 1.00 36.68 N ATOM 2197 CA ASN B 124 -1.215 -1.880 12.114 1.00 32.19 C ATOM 2198 C ASN B 124 -1.959 -3.149 12.488 1.00 34.55 C ATOM 2199 O ASN B 124 -2.592 -3.793 11.649 1.00 28.98 O ATOM 2200 CB ASN B 124 -0.213 -2.175 11.008 1.00 27.55 C ATOM 2201 CG ASN B 124 0.401 -0.917 10.456 1.00 32.12 C ATOM 2202 OD1 ASN B 124 1.624 -0.747 10.454 1.00 25.13 O ATOM 2203 ND2 ASN B 124 -0.460 0.006 10.019 1.00 27.47 N ATOM 2204 HD22 ASN B 124 -1.482 -0.185 10.041 1.00 0.00 H ATOM 2205 HD21 ASN B 124 -0.108 0.915 9.657 1.00 0.00 H ATOM 2206 H ASN B 124 0.433 -1.633 13.487 1.00 0.00 H ATOM 2207 N LEU B 125 -1.883 -3.495 13.764 1.00 37.76 N ATOM 2208 CA LEU B 125 -2.459 -4.732 14.267 1.00 42.64 C ATOM 2209 C LEU B 125 -3.813 -4.476 14.898 1.00 50.53 C ATOM 2210 O LEU B 125 -4.010 -3.435 15.517 1.00 59.20 O ATOM 2211 CB LEU B 125 -1.514 -5.349 15.279 1.00 43.73 C ATOM 2212 CG LEU B 125 -1.917 -6.676 15.878 1.00 50.53 C ATOM 2213 CD1 LEU B 125 -2.290 -7.644 14.776 1.00 47.68 C ATOM 2214 CD2 LEU B 125 -0.727 -7.172 16.661 1.00 55.55 C ATOM 2215 H LEU B 125 -1.395 -2.861 14.429 1.00 0.00 H ATOM 2216 N SER B 126 -4.751 -5.405 14.758 1.00 47.78 N ATOM 2217 CA SER B 126 -6.068 -5.183 15.346 1.00 58.00 C ATOM 2218 C SER B 126 -6.759 -6.456 15.777 1.00 57.39 C ATOM 2219 O SER B 126 -7.217 -7.223 14.943 1.00 59.11 O ATOM 2220 CB SER B 126 -6.980 -4.454 14.365 1.00 64.08 C ATOM 2221 OG SER B 126 -7.686 -5.395 13.578 1.00 71.04 O ATOM 2222 HG SER B 126 -8.233 -5.972 14.168 1.00 0.00 H ATOM 2223 H SER B 126 -4.549 -6.281 14.235 1.00 0.00 H ATOM 2224 N VAL B 127 -6.858 -6.662 17.084 1.00 59.98 N ATOM 2225 CA VAL B 127 -7.612 -7.788 17.619 1.00 66.43 C ATOM 2226 C VAL B 127 -9.092 -7.430 17.754 1.00 72.57 C ATOM 2227 O VAL B 127 -9.723 -6.980 16.793 1.00 72.96 O ATOM 2228 CB VAL B 127 -7.064 -8.235 18.987 1.00 65.19 C ATOM 2229 CG1 VAL B 127 -7.657 -9.581 19.379 1.00 67.76 C ATOM 2230 CG2 VAL B 127 -5.542 -8.312 18.946 1.00 61.66 C ATOM 2231 H VAL B 127 -6.388 -6.006 17.740 1.00 0.00 H TER 2232 VAL B 127 HETATM 2233 O HOH 1 12.473 16.252 16.421 1.00 51.17 O HETATM 2234 O HOH 2 15.430 15.958 16.675 1.00 54.19 O HETATM 2235 O HOH 3 15.299 9.409 19.475 1.00 63.43 O HETATM 2236 O HOH 4 10.161 4.434 14.080 1.00 33.15 O HETATM 2237 O HOH 5 11.344 4.999 16.108 1.00 68.14 O HETATM 2238 O HOH 6 4.725 6.437 20.832 1.00 66.99 O HETATM 2239 O HOH 7 8.025 3.126 17.575 1.00 44.26 O HETATM 2240 O HOH 8 -0.048 7.798 16.167 1.00 54.15 O HETATM 2241 O HOH 9 7.308 24.574 6.642 1.00 70.73 O HETATM 2242 O HOH 10 -2.343 3.112 14.152 1.00 59.96 O HETATM 2243 O HOH 11 8.080 17.499 9.501 1.00 60.88 O HETATM 2244 O HOH 12 6.023 21.213 6.794 1.00 47.42 O HETATM 2245 O HOH 13 -4.958 18.845 3.086 1.00 71.26 O HETATM 2246 O HOH 14 -4.970 19.491 8.695 1.00 59.26 O HETATM 2247 O HOH 15 1.851 27.315 4.724 1.00 45.23 O HETATM 2248 O HOH 16 5.513 26.347 5.177 1.00 53.11 O HETATM 2249 O HOH 17 -5.636 6.446 8.236 1.00 49.29 O HETATM 2250 O HOH 18 9.239 15.461 7.891 1.00 43.00 O HETATM 2251 O HOH 19 18.266 18.850 6.308 1.00 53.94 O HETATM 2252 O HOH 20 21.301 12.187 2.732 1.00 67.15 O HETATM 2253 O HOH 21 22.967 13.265 5.056 1.00 66.10 O HETATM 2254 O HOH 22 11.022 12.343 -12.258 1.00 72.69 O HETATM 2255 O HOH 23 9.856 2.430 -12.946 1.00 45.80 O HETATM 2256 O HOH 24 12.308 3.684 -14.761 1.00 63.01 O HETATM 2257 O HOH 25 12.218 8.968 -19.100 1.00 51.89 O HETATM 2258 O HOH 26 14.820 9.844 -17.285 1.00 79.42 O HETATM 2259 O HOH 27 17.522 13.561 -11.613 1.00 70.85 O HETATM 2260 O HOH 28 14.033 25.390 -7.133 1.00 51.96 O HETATM 2261 O HOH 29 20.171 22.098 -6.807 1.00 39.95 O HETATM 2262 O HOH 30 11.144 25.725 -7.451 1.00 42.35 O HETATM 2263 O HOH 31 6.177 30.004 -5.546 1.00 62.06 O HETATM 2264 O HOH 32 11.470 27.181 -4.812 1.00 63.87 O HETATM 2265 O HOH 33 2.824 17.382 -14.610 1.00 53.10 O HETATM 2266 O HOH 34 5.117 23.162 -18.548 1.00 67.54 O HETATM 2267 O HOH 35 2.217 26.659 -15.349 1.00 59.13 O HETATM 2268 O HOH 36 -3.964 21.539 -8.629 1.00 78.71 O HETATM 2269 O HOH 37 -4.543 20.840 -10.845 1.00 62.79 O HETATM 2270 O HOH 38 -7.237 16.831 -9.742 1.00 70.24 O HETATM 2271 O HOH 39 -9.122 8.443 0.044 1.00 74.19 O HETATM 2272 O HOH 40 -5.430 11.270 2.768 1.00 26.55 O HETATM 2273 O HOH 41 -5.432 0.035 0.996 1.00 62.38 O HETATM 2274 O HOH 42 -4.756 2.726 -3.841 1.00 61.17 O HETATM 2275 O HOH 43 -2.856 5.539 8.955 1.00 32.24 O HETATM 2276 O HOH 44 -3.851 -0.596 2.264 1.00 24.20 O HETATM 2277 O HOH 45 16.630 -2.184 9.957 1.00 63.24 O HETATM 2278 O HOH 46 -10.646 2.798 -6.487 1.00 65.71 O HETATM 2279 O HOH 47 -12.825 10.126 -9.902 1.00 61.60 O HETATM 2280 O HOH 48 -9.402 15.508 -11.413 1.00 72.34 O HETATM 2281 O HOH 49 -2.255 15.194 -18.228 1.00 60.83 O HETATM 2282 O HOH 50 -10.071 10.283 -14.648 1.00 51.02 O HETATM 2283 O HOH 51 -5.595 4.043 -11.310 1.00 58.93 O HETATM 2284 O HOH 52 13.064 5.103 1.024 1.00 52.34 O HETATM 2285 O HOH 53 17.203 7.701 9.041 1.00 49.53 O HETATM 2286 O HOH 54 17.054 16.860 8.949 1.00 56.57 O HETATM 2287 O HOH 55 19.036 13.806 6.865 1.00 39.49 O HETATM 2288 O HOH 56 13.986 -0.043 -1.490 1.00 58.83 O HETATM 2289 O HOH 57 16.165 0.671 -0.898 1.00 62.87 O HETATM 2290 O HOH 58 7.299 3.361 -13.404 1.00 43.20 O HETATM 2291 O HOH 59 12.473 -16.252 -16.421 1.00 51.17 O HETATM 2292 O HOH 60 15.430 -15.958 -16.675 1.00 54.19 O HETATM 2293 O HOH 61 15.299 -9.409 -19.475 1.00 63.43 O HETATM 2294 O HOH 62 10.161 -4.434 -14.080 1.00 33.15 O HETATM 2295 O HOH 63 11.344 -4.999 -16.108 1.00 68.14 O HETATM 2296 O HOH 64 4.725 -6.437 -20.832 1.00 66.99 O HETATM 2297 O HOH 65 8.025 -3.126 -17.575 1.00 44.26 O HETATM 2298 O HOH 66 -0.048 -7.798 -16.167 1.00 54.15 O HETATM 2299 O HOH 67 7.308 -24.574 -6.642 1.00 70.73 O HETATM 2300 O HOH 68 -2.343 -3.112 -14.152 1.00 59.96 O HETATM 2301 O HOH 69 8.080 -17.499 -9.501 1.00 60.88 O HETATM 2302 O HOH 70 6.023 -21.213 -6.794 1.00 47.42 O HETATM 2303 O HOH 71 -4.958 -18.845 -3.086 1.00 71.26 O HETATM 2304 O HOH 72 -4.970 -19.491 -8.695 1.00 59.26 O HETATM 2305 O HOH 73 1.851 -27.315 -4.724 1.00 45.23 O HETATM 2306 O HOH 74 5.513 -26.347 -5.177 1.00 53.11 O HETATM 2307 O HOH 75 -5.636 -6.446 -8.236 1.00 49.29 O HETATM 2308 O HOH 76 9.239 -15.461 -7.891 1.00 43.00 O HETATM 2309 O HOH 77 18.266 -18.850 -6.308 1.00 53.94 O HETATM 2310 O HOH 78 21.301 -12.187 -2.732 1.00 67.15 O HETATM 2311 O HOH 79 22.967 -13.265 -5.056 1.00 66.10 O HETATM 2312 O HOH 80 11.022 -12.343 12.258 1.00 72.69 O HETATM 2313 O HOH 81 9.856 -2.430 12.946 1.00 45.80 O HETATM 2314 O HOH 82 12.308 -3.684 14.761 1.00 63.01 O HETATM 2315 O HOH 83 12.218 -8.968 19.100 1.00 51.89 O HETATM 2316 O HOH 84 14.820 -9.844 17.285 1.00 79.42 O HETATM 2317 O HOH 85 17.522 -13.561 11.613 1.00 70.85 O HETATM 2318 O HOH 86 14.033 -25.390 7.133 1.00 51.96 O HETATM 2319 O HOH 87 20.171 -22.098 6.807 1.00 39.95 O HETATM 2320 O HOH 88 11.144 -25.725 7.451 1.00 42.35 O HETATM 2321 O HOH 89 6.177 -30.004 5.546 1.00 62.06 O HETATM 2322 O HOH 90 11.470 -27.181 4.812 1.00 63.87 O HETATM 2323 O HOH 91 2.824 -17.382 14.610 1.00 53.10 O HETATM 2324 O HOH 92 5.117 -23.162 18.548 1.00 67.54 O HETATM 2325 O HOH 93 2.217 -26.659 15.349 1.00 59.13 O HETATM 2326 O HOH 94 -3.964 -21.539 8.629 1.00 78.71 O HETATM 2327 O HOH 95 -4.543 -20.840 10.845 1.00 62.79 O HETATM 2328 O HOH 96 -7.237 -16.831 9.742 1.00 70.24 O HETATM 2329 O HOH 97 -9.122 -8.443 -0.044 1.00 74.19 O HETATM 2330 O HOH 98 -5.430 -11.270 -2.768 1.00 26.55 O HETATM 2331 O HOH 99 -5.432 -0.035 -0.996 1.00 62.38 O HETATM 2332 O HOH 100 -4.756 -2.726 3.841 1.00 61.17 O HETATM 2333 O HOH 101 -2.856 -5.539 -8.955 1.00 32.24 O HETATM 2334 O HOH 102 -3.851 0.596 -2.264 1.00 24.20 O HETATM 2335 O HOH 103 16.630 2.184 -9.957 1.00 63.24 O HETATM 2336 O HOH 104 -10.646 -2.798 6.487 1.00 65.71 O HETATM 2337 O HOH 105 -12.825 -10.126 9.902 1.00 61.60 O HETATM 2338 O HOH 106 -9.402 -15.508 11.413 1.00 72.34 O HETATM 2339 O HOH 107 -2.255 -15.194 18.228 1.00 60.83 O HETATM 2340 O HOH 108 -10.071 -10.283 14.648 1.00 51.02 O HETATM 2341 O HOH 109 -5.595 -4.043 11.310 1.00 58.93 O HETATM 2342 O HOH 110 13.064 -5.103 -1.024 1.00 52.34 O HETATM 2343 O HOH 111 17.203 -7.701 -9.041 1.00 49.53 O HETATM 2344 O HOH 112 17.054 -16.860 -8.949 1.00 56.57 O HETATM 2345 O HOH 113 19.036 -13.806 -6.865 1.00 39.49 O HETATM 2346 O HOH 114 13.986 0.043 1.490 1.00 58.83 O HETATM 2347 O HOH 115 16.165 -0.671 0.898 1.00 62.87 O HETATM 2348 O HOH 116 7.299 -3.361 13.404 1.00 43.20 O HETATM 2349 C1 EQU A 117 4.408 11.560 -4.122 1.00 0.10 C HETATM 2350 C2 EQU A 117 4.418 10.702 -5.238 1.00 -0.02 C HETATM 2351 C3 EQU A 117 3.949 11.178 -6.465 1.00 -0.00 C HETATM 2352 C4 EQU A 117 3.477 12.515 -6.579 1.00 0.00 C HETATM 2353 C5 EQU A 117 3.474 13.361 -5.464 1.00 -0.05 C HETATM 2354 C6 EQU A 117 3.938 12.881 -4.236 1.00 -0.02 C HETATM 2355 H3 EQU A 117 3.936 13.530 -3.368 1.00 0.06 H HETATM 2356 H2 EQU A 117 3.115 14.380 -5.552 1.00 0.06 H HETATM 2357 C13 EQU A 117 2.997 13.007 -7.804 1.00 0.04 C HETATM 2358 C12 EQU A 117 3.001 12.101 -9.083 1.00 -0.00 C HETATM 2359 C11 EQU A 117 3.473 10.793 -8.943 1.00 -0.02 C HETATM 2360 C10 EQU A 117 3.951 10.294 -7.676 1.00 -0.03 C HETATM 2361 H4 EQU A 117 4.313 9.275 -7.599 1.00 0.09 H HETATM 2362 H5 EQU A 117 3.480 10.138 -9.806 1.00 0.07 H HETATM 2363 C16 EQU A 117 2.677 12.509 -9.907 1.00 -0.03 C HETATM 2364 C17 EQU A 117 2.964 13.666 -10.197 1.00 -0.01 C HETATM 2365 C18 EQU A 117 2.424 14.701 -9.197 1.00 -0.10 C HETATM 2366 C19 EQU A 117 2.499 14.381 -8.029 1.00 -0.02 C HETATM 2367 H8 EQU A 117 2.223 15.050 -7.215 1.00 0.12 H HETATM 2368 H7 EQU A 117 2.004 15.654 -9.514 1.00 0.05 H HETATM 2369 C26 EQU A 117 2.448 13.862 -11.645 1.00 0.05 C HETATM 2370 C25 EQU A 117 2.431 12.718 -12.166 1.00 0.01 C HETATM 2371 C24 EQU A 117 2.782 11.804 -11.113 1.00 -0.04 C HETATM 2372 H9 EQU A 117 2.092 10.947 -11.111 1.00 0.03 H HETATM 2373 H10 EQU A 117 3.812 11.445 -11.252 1.00 0.03 H HETATM 2374 H11 EQU A 117 1.428 12.489 -12.554 1.00 0.05 H HETATM 2375 H12 EQU A 117 3.163 12.659 -12.985 1.00 0.05 H HETATM 2376 O26 EQU A 117 2.149 14.924 -12.179 1.00 -0.38 O HETATM 2377 C27 EQU A 117 4.492 13.877 -10.384 1.00 -0.11 C HETATM 2378 H13 EQU A 117 4.688 14.928 -10.642 1.00 0.00 H HETATM 2379 H14 EQU A 117 4.856 13.227 -11.194 1.00 0.00 H HETATM 2380 H15 EQU A 117 5.014 13.625 -9.449 1.00 0.00 H HETATM 2381 H6 EQU A 117 1.595 12.548 -9.712 1.00 0.04 H HETATM 2382 H1 EQU A 117 4.785 9.686 -5.147 1.00 0.06 H HETATM 2383 O1 EQU A 117 4.869 11.140 -2.858 1.00 -0.33 O HETATM 2384 H16 EQU A 117 5.157 10.236 -2.912 1.00 0.25 H CONECT 1 2 11 12 13 CONECT 11 1 CONECT 12 1 CONECT 13 1 CONECT 570 571 577 578 579 CONECT 577 570 CONECT 578 570 CONECT 579 570 CONECT 805 806 811 812 813 CONECT 812 805 CONECT 813 805 CONECT 1117 1118 1127 1128 1129 CONECT 1127 1117 CONECT 1128 1117 CONECT 1129 1117 CONECT 1686 1687 1693 1694 1695 CONECT 1693 1686 CONECT 1694 1686 CONECT 1695 1686 CONECT 1921 1922 1927 1928 1929 CONECT 1928 1921 CONECT 1929 1921 CONECT 2349 2350 2354 2383 CONECT 2350 2349 2351 2382 CONECT 2351 2350 2352 2360 CONECT 2352 2351 2353 2357 CONECT 2353 2352 2354 2356 CONECT 2354 2349 2353 2355 CONECT 2355 2354 CONECT 2356 2353 CONECT 2357 2352 2358 2366 CONECT 2358 2357 2359 2363 CONECT 2359 2358 2360 2362 CONECT 2360 2351 2359 2361 CONECT 2361 2360 CONECT 2362 2359 CONECT 2363 2358 2364 2371 2381 CONECT 2364 2363 2365 2369 2377 CONECT 2365 2364 2366 2368 CONECT 2366 2357 2365 2367 CONECT 2367 2366 CONECT 2368 2365 CONECT 2369 2364 2370 2376 CONECT 2370 2369 2371 2374 2375 CONECT 2371 2363 2370 2372 2373 CONECT 2372 2371 CONECT 2373 2371 CONECT 2374 2370 CONECT 2375 2370 CONECT 2376 2369 CONECT 2377 2364 2378 2379 2380 CONECT 2378 2377 CONECT 2379 2377 CONECT 2380 2377 CONECT 2381 2363 CONECT 2382 2350 CONECT 2383 2349 2384 CONECT 2384 2383 MASTER 0 0 0 0 0 0 0 0 2378 6 58 20 END
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Related entries of code: 5ai1
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
1e3v
RCSB PDB
PDBbind
131aa, >1E3V_1|Chains... *
1ogx
RCSB PDB
PDBbind
131aa, >1OGX_1|Chains... at 99%
1w6y
RCSB PDB
PDBbind
131aa, >1W6Y_1|Chain... at 99%
5g2g
RCSB PDB
PDBbind
127aa, >5G2G_1|Chains... at 99%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
1ogx
RCSB PDB
PDBbind
EQU
1ogz
RCSB PDB
PDBbind
EQU
1w6y
RCSB PDB
PDBbind
EQU
5g2g
RCSB PDB
PDBbind
EQU
Entry Information
PDB ID
5ai1
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
ketosteroid isomerase containing Y32F, D40N, Y57F and Y119F mutations
Ligand Name
EQU
EC.Number
E.C.5.3.3.1
Resolution
2.1(Å)
Affinity (Kd/Ki/IC50)
Kd=0.34uM
Release Year
2015
Protein/NA Sequence
Check fasta file
Primary Reference
(2015) Mol.Cells Vol. 38: pp. 409-415
Ligand Properties
Formula
C
1
8
H
1
6
O
2
Molecular Weight
264.318
Exact Mass
264.115
No. of atoms
36
No. of bonds
39
Polar Surface Area
37.3
LOGP Value
3.60 (
Computed with XLOGP3
)
4.03 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 1
No. of Nitrogen and Oxygen Atoms: 2
No. of Rings: 4
Canonical SMILES
Oc1ccc2c(c1)ccc1c2C=C[C@]2([C@H]1CCC2=O)C
InChI String
InChI=1S/C18H16O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h2-5,8-10,16,19H,6-7H2,1H3/t16-,18-/m0/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
P07445
Entrez Gene ID
No matched NCBI Entrez Gene ID found!
ASD
Information of known allosteric effects of PDB entries
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