Browse entries in the PDBbind-CN Database
HEADER 2VNP_COMPLEX COMPND 2VNP_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 176 GLU HIS VAL ILE LEU LEU ASN ALA GLN GLY VAL PRO THR SEQRES 2 A 176 GLY THR LEU GLU LYS TYR ALA ALA HIS THR ALA ASP THR SEQRES 3 A 176 ARG LEU HIS LEU ALA PHE SER SER TRP LEU PHE ASN ALA SEQRES 4 A 176 LYS GLY GLN LEU LEU VAL THR ARG ARG ALA LEU SER LYS SEQRES 5 A 176 LYS ALA TRP PRO GLY VAL TRP THR ASN SER VAL CYS GLY SEQRES 6 A 176 HIS PRO GLN LEU GLY GLU SER ASN GLU ASP ALA VAL ILE SEQRES 7 A 176 ARG ARG CYS ARG TYR GLU LEU GLY VAL GLU ILE THR PRO SEQRES 8 A 176 PRO GLU SER ILE TYR PRO ASP PHE ARG TYR ARG ALA THR SEQRES 9 A 176 ASP PRO SER GLY ILE VAL GLU ASN GLU VAL CYS PRO VAL SEQRES 10 A 176 PHE ALA ALA ARG THR THR SER ALA LEU GLN ILE ASN ASP SEQRES 11 A 176 ASP GLU VAL MET ASP TYR GLN TRP CYS ASP LEU ALA ASP SEQRES 12 A 176 VAL LEU HIS GLY ILE ASP ALA THR PRO TRP ALA PHE SER SEQRES 13 A 176 PRO TRP MET VAL MET GLN ALA THR ASN ARG GLU ALA ARG SEQRES 14 A 176 LYS ARG LEU SER ALA PHE THR HET MN A 1 1 HET MG A 2 1 HET DED A 208 25 ATOM 1 N GLU A 4 5.674 5.560 23.175 1.00 30.20 N ATOM 2 CA GLU A 4 4.899 4.456 23.808 1.00 29.77 C ATOM 3 C GLU A 4 5.633 3.145 24.045 1.00 27.82 C ATOM 4 O GLU A 4 6.465 2.708 23.253 1.00 26.59 O ATOM 5 CB GLU A 4 3.618 4.187 23.031 1.00 30.63 C ATOM 6 CG GLU A 4 2.494 5.097 23.478 1.00 34.83 C ATOM 7 CD GLU A 4 1.144 4.803 22.846 1.00 39.33 C ATOM 8 OE1 GLU A 4 0.544 5.834 22.438 1.00 43.20 O ATOM 9 OE2 GLU A 4 0.653 3.613 22.818 1.00 38.42 O ATOM 10 HA GLU A 4 4.692 4.838 24.808 1.00 0.00 H ATOM 11 HB2 GLU A 4 3.806 4.352 21.970 1.00 0.00 H ATOM 12 HB3 GLU A 4 3.319 3.151 23.189 1.00 0.00 H ATOM 13 HG2 GLU A 4 2.390 5.002 24.559 1.00 0.00 H ATOM 14 HG3 GLU A 4 2.769 6.122 23.230 1.00 0.00 H ATOM 15 HN3 GLU A 4 6.010 5.254 22.240 1.00 0.00 H ATOM 16 HN2 GLU A 4 6.488 5.799 23.776 1.00 0.00 H ATOM 17 HN1 GLU A 4 5.063 6.395 23.069 1.00 0.00 H ATOM 18 N HIS A 5 5.267 2.496 25.136 1.00 25.84 N ATOM 19 CA HIS A 5 5.818 1.180 25.441 1.00 26.40 C ATOM 20 C HIS A 5 4.720 0.169 25.809 1.00 25.31 C ATOM 21 O HIS A 5 3.523 0.495 25.872 1.00 25.55 O ATOM 22 CB HIS A 5 6.868 1.303 26.587 1.00 26.15 C ATOM 23 CG HIS A 5 6.364 2.086 27.745 1.00 25.71 C ATOM 24 ND1 HIS A 5 6.511 3.456 27.828 1.00 29.41 N ATOM 25 CD2 HIS A 5 5.612 1.721 28.813 1.00 28.27 C ATOM 26 CE1 HIS A 5 5.900 3.904 28.915 1.00 30.67 C ATOM 27 NE2 HIS A 5 5.349 2.870 29.534 1.00 32.09 N ATOM 28 HA HIS A 5 6.308 0.801 24.544 1.00 0.00 H ATOM 29 HB2 HIS A 5 7.129 0.302 26.930 1.00 0.00 H ATOM 30 HB3 HIS A 5 7.758 1.795 26.194 1.00 0.00 H ATOM 31 HD2 HIS A 5 5.278 0.712 29.056 1.00 0.00 H ATOM 32 HE1 HIS A 5 5.858 4.943 29.243 1.00 0.00 H ATOM 33 H HIS A 5 4.578 2.928 25.785 1.00 0.00 H ATOM 34 N VAL A 6 5.137 -1.061 26.047 1.00 24.44 N ATOM 35 CA VAL A 6 4.282 -2.038 26.640 1.00 24.03 C ATOM 36 C VAL A 6 4.960 -2.494 27.918 1.00 24.73 C ATOM 37 O VAL A 6 6.171 -2.503 28.015 1.00 25.03 O ATOM 38 CB VAL A 6 3.957 -3.274 25.705 1.00 23.14 C ATOM 39 CG1 VAL A 6 3.197 -2.829 24.464 1.00 25.44 C ATOM 40 CG2 VAL A 6 5.185 -4.104 25.347 1.00 22.78 C ATOM 41 HA VAL A 6 3.311 -1.580 26.829 1.00 0.00 H ATOM 42 HB VAL A 6 3.315 -3.938 26.283 1.00 0.00 H ATOM 43 HG11 VAL A 6 2.260 -2.358 24.762 1.00 0.00 H ATOM 44 HG12 VAL A 6 3.802 -2.115 23.905 1.00 0.00 H ATOM 45 HG13 VAL A 6 2.986 -3.696 23.838 1.00 0.00 H ATOM 46 HG21 VAL A 6 5.905 -3.477 24.822 1.00 0.00 H ATOM 47 HG22 VAL A 6 5.637 -4.493 26.259 1.00 0.00 H ATOM 48 HG23 VAL A 6 4.887 -4.933 24.705 1.00 0.00 H ATOM 49 H VAL A 6 6.111 -1.324 25.796 1.00 0.00 H ATOM 50 N ILE A 7 4.165 -2.947 28.873 1.00 24.01 N ATOM 51 CA ILE A 7 4.673 -3.467 30.109 1.00 23.62 C ATOM 52 C ILE A 7 4.794 -4.998 29.999 1.00 24.31 C ATOM 53 O ILE A 7 3.788 -5.735 29.849 1.00 22.69 O ATOM 54 CB ILE A 7 3.777 -3.059 31.270 1.00 22.77 C ATOM 55 CG1 ILE A 7 3.686 -1.500 31.323 1.00 24.14 C ATOM 56 CG2 ILE A 7 4.169 -3.911 32.554 1.00 21.68 C ATOM 57 CD1 ILE A 7 2.749 -0.911 32.378 1.00 23.00 C ATOM 58 HA ILE A 7 5.661 -3.051 30.304 1.00 0.00 H ATOM 59 HB ILE A 7 2.725 -3.322 31.163 1.00 0.00 H ATOM 60 HG12 ILE A 7 4.687 -1.115 31.516 1.00 0.00 H ATOM 61 HG13 ILE A 7 3.347 -1.154 30.347 1.00 0.00 H ATOM 62 HD11 ILE A 7 1.734 -1.265 32.199 1.00 0.00 H ATOM 63 HD12 ILE A 7 3.076 -1.227 33.369 1.00 0.00 H ATOM 64 HD13 ILE A 7 2.772 0.177 32.316 1.00 0.00 H ATOM 65 HG21 ILE A 7 4.033 -4.971 32.340 1.00 0.00 H ATOM 66 HG22 ILE A 7 5.211 -3.721 32.810 1.00 0.00 H ATOM 67 HG23 ILE A 7 3.530 -3.623 33.389 1.00 0.00 H ATOM 68 H ILE A 7 3.136 -2.925 28.722 1.00 0.00 H ATOM 69 N LEU A 8 6.038 -5.461 30.073 1.00 24.21 N ATOM 70 CA LEU A 8 6.282 -6.889 30.014 1.00 25.46 C ATOM 71 C LEU A 8 5.955 -7.617 31.304 1.00 24.31 C ATOM 72 O LEU A 8 6.088 -7.070 32.374 1.00 24.27 O ATOM 73 CB LEU A 8 7.712 -7.181 29.621 1.00 25.09 C ATOM 74 CG LEU A 8 8.138 -6.749 28.231 1.00 27.17 C ATOM 75 CD1 LEU A 8 9.512 -7.410 28.066 1.00 29.09 C ATOM 76 CD2 LEU A 8 7.202 -7.219 27.147 1.00 25.57 C ATOM 77 HA LEU A 8 5.602 -7.266 29.250 1.00 0.00 H ATOM 78 HB2 LEU A 8 8.361 -6.677 30.337 1.00 0.00 H ATOM 79 HB3 LEU A 8 7.861 -8.258 29.693 1.00 0.00 H ATOM 80 HG LEU A 8 8.144 -5.663 28.136 1.00 0.00 H ATOM 81 HD21 LEU A 8 7.158 -8.308 27.154 1.00 0.00 H ATOM 82 HD22 LEU A 8 6.207 -6.813 27.327 1.00 0.00 H ATOM 83 HD23 LEU A 8 7.567 -6.875 26.179 1.00 0.00 H ATOM 84 HD11 LEU A 8 10.185 -7.045 28.842 1.00 0.00 H ATOM 85 HD12 LEU A 8 9.406 -8.491 28.154 1.00 0.00 H ATOM 86 HD13 LEU A 8 9.918 -7.162 27.085 1.00 0.00 H ATOM 87 H LEU A 8 6.835 -4.800 30.173 1.00 0.00 H ATOM 88 N LEU A 9 5.618 -8.885 31.161 1.00 24.83 N ATOM 89 CA LEU A 9 5.111 -9.697 32.237 1.00 26.36 C ATOM 90 C LEU A 9 5.728 -11.113 32.158 1.00 28.59 C ATOM 91 O LEU A 9 6.085 -11.603 31.067 1.00 30.44 O ATOM 92 CB LEU A 9 3.561 -9.751 32.172 1.00 24.99 C ATOM 93 CG LEU A 9 2.718 -8.450 32.365 1.00 25.08 C ATOM 94 CD1 LEU A 9 1.304 -8.740 31.906 1.00 23.55 C ATOM 95 CD2 LEU A 9 2.654 -7.939 33.781 1.00 20.39 C ATOM 96 HA LEU A 9 5.393 -9.257 33.194 1.00 0.00 H ATOM 97 HB2 LEU A 9 3.302 -10.150 31.191 1.00 0.00 H ATOM 98 HB3 LEU A 9 3.239 -10.450 32.944 1.00 0.00 H ATOM 99 HG LEU A 9 3.213 -7.673 31.783 1.00 0.00 H ATOM 100 HD21 LEU A 9 2.207 -8.700 34.421 1.00 0.00 H ATOM 101 HD22 LEU A 9 3.662 -7.715 34.131 1.00 0.00 H ATOM 102 HD23 LEU A 9 2.047 -7.034 33.812 1.00 0.00 H ATOM 103 HD11 LEU A 9 1.317 -9.030 30.855 1.00 0.00 H ATOM 104 HD12 LEU A 9 0.889 -9.552 32.503 1.00 0.00 H ATOM 105 HD13 LEU A 9 0.693 -7.846 32.030 1.00 0.00 H ATOM 106 H LEU A 9 5.724 -9.320 30.223 1.00 0.00 H ATOM 107 N ASN A 10 5.894 -11.749 33.305 1.00 29.91 N ATOM 108 CA ASN A 10 6.248 -13.175 33.312 1.00 31.72 C ATOM 109 C ASN A 10 5.024 -14.087 33.371 1.00 32.00 C ATOM 110 O ASN A 10 3.866 -13.597 33.457 1.00 32.62 O ATOM 111 CB ASN A 10 7.245 -13.547 34.454 1.00 30.92 C ATOM 112 CG ASN A 10 6.686 -13.338 35.840 1.00 30.72 C ATOM 113 OD1 ASN A 10 7.457 -13.247 36.781 1.00 35.60 O ATOM 114 ND2 ASN A 10 5.390 -13.195 35.987 1.00 25.19 N ATOM 115 HA ASN A 10 6.750 -13.343 32.359 1.00 0.00 H ATOM 116 HB2 ASN A 10 7.515 -14.597 34.347 1.00 0.00 H ATOM 117 HB3 ASN A 10 8.138 -12.931 34.346 1.00 0.00 H ATOM 118 HD22 ASN A 10 4.761 -13.279 35.163 1.00 0.00 H ATOM 119 HD21 ASN A 10 4.992 -12.998 36.927 1.00 0.00 H ATOM 120 H ASN A 10 5.774 -11.239 34.204 1.00 0.00 H ATOM 121 N ALA A 11 5.284 -15.406 33.371 1.00 33.17 N ATOM 122 CA ALA A 11 4.200 -16.399 33.392 1.00 33.06 C ATOM 123 C ALA A 11 3.269 -16.186 34.567 1.00 33.60 C ATOM 124 O ALA A 11 2.059 -16.394 34.458 1.00 34.31 O ATOM 125 CB ALA A 11 4.728 -17.830 33.321 1.00 32.31 C ATOM 126 HA ALA A 11 3.609 -16.246 32.489 1.00 0.00 H ATOM 127 HB1 ALA A 11 5.292 -17.962 32.398 1.00 0.00 H ATOM 128 HB2 ALA A 11 5.378 -18.019 34.175 1.00 0.00 H ATOM 129 HB3 ALA A 11 3.890 -18.527 33.340 1.00 0.00 H ATOM 130 H ALA A 11 6.272 -15.731 33.356 1.00 0.00 H ATOM 131 N GLN A 12 3.795 -15.713 35.682 1.00 34.04 N ATOM 132 CA GLN A 12 2.929 -15.397 36.819 1.00 34.15 C ATOM 133 C GLN A 12 2.220 -14.057 36.751 1.00 33.82 C ATOM 134 O GLN A 12 1.581 -13.678 37.755 1.00 33.75 O ATOM 135 CB GLN A 12 3.722 -15.453 38.139 1.00 35.09 C ATOM 136 CG GLN A 12 4.253 -16.830 38.553 1.00 37.05 C ATOM 137 CD GLN A 12 5.295 -17.443 37.585 1.00 37.64 C ATOM 138 OE1 GLN A 12 5.202 -18.628 37.213 1.00 38.38 O ATOM 139 NE2 GLN A 12 6.281 -16.656 37.200 1.00 37.50 N ATOM 140 HA GLN A 12 2.154 -16.162 36.776 1.00 0.00 H ATOM 141 HB2 GLN A 12 4.576 -14.782 38.043 1.00 0.00 H ATOM 142 HB3 GLN A 12 3.069 -15.095 38.935 1.00 0.00 H ATOM 143 HG2 GLN A 12 4.717 -16.734 39.534 1.00 0.00 H ATOM 144 HG3 GLN A 12 3.407 -17.514 38.618 1.00 0.00 H ATOM 145 HE22 GLN A 12 6.322 -15.672 37.534 1.00 0.00 H ATOM 146 HE21 GLN A 12 7.018 -17.020 36.562 1.00 0.00 H ATOM 147 H GLN A 12 4.822 -15.565 35.752 1.00 0.00 H ATOM 148 N GLY A 13 2.337 -13.315 35.622 1.00 33.04 N ATOM 149 CA GLY A 13 1.697 -11.964 35.482 1.00 31.49 C ATOM 150 C GLY A 13 2.372 -10.817 36.263 1.00 30.36 C ATOM 151 O GLY A 13 1.770 -9.759 36.577 1.00 31.10 O ATOM 152 HA3 GLY A 13 0.667 -12.044 35.829 1.00 0.00 H ATOM 153 HA2 GLY A 13 1.704 -11.698 34.425 1.00 0.00 H ATOM 154 H GLY A 13 2.889 -13.695 34.826 1.00 0.00 H ATOM 155 N VAL A 14 3.636 -11.018 36.565 1.00 29.91 N ATOM 156 CA VAL A 14 4.456 -10.058 37.315 1.00 28.54 C ATOM 157 C VAL A 14 5.303 -9.184 36.344 1.00 28.67 C ATOM 158 O VAL A 14 6.141 -9.692 35.594 1.00 27.91 O ATOM 159 CB VAL A 14 5.348 -10.811 38.383 1.00 28.56 C ATOM 160 CG1 VAL A 14 6.351 -9.847 39.181 1.00 25.96 C ATOM 161 CG2 VAL A 14 4.408 -11.626 39.364 1.00 28.20 C ATOM 162 HA VAL A 14 3.801 -9.380 37.863 1.00 0.00 H ATOM 163 HB VAL A 14 5.998 -11.499 37.843 1.00 0.00 H ATOM 164 HG11 VAL A 14 7.027 -9.364 38.475 1.00 0.00 H ATOM 165 HG12 VAL A 14 5.777 -9.089 39.714 1.00 0.00 H ATOM 166 HG13 VAL A 14 6.928 -10.435 39.894 1.00 0.00 H ATOM 167 HG21 VAL A 14 3.731 -10.939 39.871 1.00 0.00 H ATOM 168 HG22 VAL A 14 3.830 -12.352 38.792 1.00 0.00 H ATOM 169 HG23 VAL A 14 5.019 -12.146 40.102 1.00 0.00 H ATOM 170 H VAL A 14 4.080 -11.906 36.255 1.00 0.00 H ATOM 171 N PRO A 15 5.119 -7.847 36.415 1.00 29.15 N ATOM 172 CA PRO A 15 5.871 -6.927 35.505 1.00 29.33 C ATOM 173 C PRO A 15 7.393 -7.205 35.538 1.00 28.64 C ATOM 174 O PRO A 15 7.930 -7.288 36.599 1.00 30.69 O ATOM 175 CB PRO A 15 5.580 -5.534 36.076 1.00 28.63 C ATOM 176 CG PRO A 15 4.891 -5.710 37.378 1.00 29.39 C ATOM 177 CD PRO A 15 4.267 -7.118 37.382 1.00 28.63 C ATOM 178 HA PRO A 15 5.568 -7.046 34.465 1.00 0.00 H ATOM 179 HD3 PRO A 15 4.319 -7.570 38.373 1.00 0.00 H ATOM 180 HD2 PRO A 15 3.229 -7.090 37.051 1.00 0.00 H ATOM 181 HG3 PRO A 15 4.112 -4.956 37.492 1.00 0.00 H ATOM 182 HG2 PRO A 15 5.607 -5.617 38.194 1.00 0.00 H ATOM 183 HB2 PRO A 15 6.514 -4.990 36.221 1.00 0.00 H ATOM 184 HB3 PRO A 15 4.940 -4.978 35.390 1.00 0.00 H ATOM 185 N THR A 16 8.062 -7.418 34.406 1.00 27.93 N ATOM 186 CA THR A 16 9.518 -7.604 34.379 1.00 26.11 C ATOM 187 C THR A 16 10.286 -6.427 33.718 1.00 24.56 C ATOM 188 O THR A 16 11.524 -6.364 33.761 1.00 23.33 O ATOM 189 CB THR A 16 9.927 -8.938 33.668 1.00 27.86 C ATOM 190 OG1 THR A 16 9.365 -8.933 32.364 1.00 29.24 O ATOM 191 CG2 THR A 16 9.407 -10.211 34.430 1.00 24.53 C ATOM 192 HA THR A 16 9.806 -7.644 35.430 1.00 0.00 H ATOM 193 HB THR A 16 11.016 -8.988 33.646 1.00 0.00 H ATOM 194 HG1 THR A 16 9.612 -9.770 31.896 1.00 0.00 H ATOM 195 HG23 THR A 16 9.830 -10.230 35.434 1.00 0.00 H ATOM 196 HG21 THR A 16 8.319 -10.176 34.493 1.00 0.00 H ATOM 197 HG22 THR A 16 9.712 -11.107 33.889 1.00 0.00 H ATOM 198 H THR A 16 7.535 -7.454 33.510 1.00 0.00 H ATOM 199 N GLY A 17 9.556 -5.480 33.126 1.00 23.08 N ATOM 200 CA GLY A 17 10.167 -4.287 32.530 1.00 21.40 C ATOM 201 C GLY A 17 9.261 -3.755 31.445 1.00 21.68 C ATOM 202 O GLY A 17 8.076 -4.051 31.413 1.00 21.26 O ATOM 203 HA3 GLY A 17 11.135 -4.548 32.102 1.00 0.00 H ATOM 204 HA2 GLY A 17 10.304 -3.525 33.297 1.00 0.00 H ATOM 205 H GLY A 17 8.523 -5.591 33.086 1.00 0.00 H ATOM 206 N THR A 18 9.811 -2.991 30.517 1.00 22.19 N ATOM 207 CA THR A 18 9.019 -2.462 29.400 1.00 24.26 C ATOM 208 C THR A 18 9.780 -2.627 28.073 1.00 24.48 C ATOM 209 O THR A 18 10.991 -2.878 28.094 1.00 23.81 O ATOM 210 CB THR A 18 8.624 -1.014 29.641 1.00 24.21 C ATOM 211 OG1 THR A 18 9.805 -0.224 29.637 1.00 24.60 O ATOM 212 CG2 THR A 18 7.895 -0.887 30.974 1.00 24.74 C ATOM 213 HA THR A 18 8.097 -3.039 29.332 1.00 0.00 H ATOM 214 HB THR A 18 7.950 -0.669 28.857 1.00 0.00 H ATOM 215 HG1 THR A 18 9.567 0.724 29.793 1.00 0.00 H ATOM 216 HG23 THR A 18 6.994 -1.500 30.954 1.00 0.00 H ATOM 217 HG21 THR A 18 8.549 -1.226 31.778 1.00 0.00 H ATOM 218 HG22 THR A 18 7.623 0.155 31.140 1.00 0.00 H ATOM 219 H THR A 18 10.823 -2.761 30.579 1.00 0.00 H ATOM 220 N LEU A 19 9.072 -2.561 26.938 1.00 24.30 N ATOM 221 CA LEU A 19 9.727 -2.422 25.624 1.00 24.94 C ATOM 222 C LEU A 19 8.957 -1.423 24.793 1.00 25.83 C ATOM 223 O LEU A 19 7.748 -1.272 24.970 1.00 24.84 O ATOM 224 CB LEU A 19 9.801 -3.736 24.842 1.00 26.14 C ATOM 225 CG LEU A 19 10.576 -4.966 25.346 1.00 30.32 C ATOM 226 CD1 LEU A 19 10.147 -6.197 24.534 1.00 35.50 C ATOM 227 CD2 LEU A 19 12.118 -4.775 25.226 1.00 34.02 C ATOM 228 HA LEU A 19 10.748 -2.094 25.816 1.00 0.00 H ATOM 229 HB2 LEU A 19 8.770 -4.064 24.707 1.00 0.00 H ATOM 230 HB3 LEU A 19 10.231 -3.485 23.872 1.00 0.00 H ATOM 231 HG LEU A 19 10.342 -5.102 26.402 1.00 0.00 H ATOM 232 HD21 LEU A 19 12.382 -4.610 24.181 1.00 0.00 H ATOM 233 HD22 LEU A 19 12.423 -3.913 25.819 1.00 0.00 H ATOM 234 HD23 LEU A 19 12.623 -5.668 25.593 1.00 0.00 H ATOM 235 HD11 LEU A 19 9.077 -6.360 24.661 1.00 0.00 H ATOM 236 HD12 LEU A 19 10.368 -6.030 23.480 1.00 0.00 H ATOM 237 HD13 LEU A 19 10.693 -7.072 24.887 1.00 0.00 H ATOM 238 H LEU A 19 8.034 -2.609 26.984 1.00 0.00 H ATOM 239 N GLU A 20 9.662 -0.708 23.898 1.00 26.13 N ATOM 240 CA GLU A 20 9.004 0.187 22.935 1.00 26.12 C ATOM 241 C GLU A 20 7.867 -0.559 22.226 1.00 25.33 C ATOM 242 O GLU A 20 8.049 -1.651 21.708 1.00 25.98 O ATOM 243 CB GLU A 20 10.042 0.739 21.944 1.00 25.92 C ATOM 244 CG GLU A 20 9.576 1.976 21.134 1.00 28.13 C ATOM 245 CD GLU A 20 8.703 1.586 19.922 1.00 26.01 C ATOM 246 OE1 GLU A 20 7.706 2.293 19.666 1.00 31.11 O ATOM 247 OE2 GLU A 20 8.980 0.565 19.265 1.00 25.98 O ATOM 248 HA GLU A 20 8.564 1.037 23.457 1.00 0.00 H ATOM 249 HB2 GLU A 20 10.933 1.018 22.506 1.00 0.00 H ATOM 250 HB3 GLU A 20 10.292 -0.053 21.239 1.00 0.00 H ATOM 251 HG2 GLU A 20 8.997 2.627 21.789 1.00 0.00 H ATOM 252 HG3 GLU A 20 10.455 2.512 20.776 1.00 0.00 H ATOM 253 H GLU A 20 10.699 -0.790 23.887 1.00 0.00 H ATOM 254 N LYS A 21 6.692 0.038 22.213 1.00 27.18 N ATOM 255 CA LYS A 21 5.447 -0.613 21.681 1.00 27.58 C ATOM 256 C LYS A 21 5.531 -1.268 20.290 1.00 28.38 C ATOM 257 O LYS A 21 5.254 -2.458 20.145 1.00 29.09 O ATOM 258 CB LYS A 21 4.256 0.368 21.767 1.00 27.57 C ATOM 259 CG LYS A 21 2.884 -0.311 21.587 1.00 25.54 C ATOM 260 CD LYS A 21 1.732 0.722 21.725 1.00 28.01 C ATOM 261 CE LYS A 21 1.522 1.465 20.388 1.00 28.45 C ATOM 262 NZ LYS A 21 0.440 2.447 20.529 1.00 27.33 N ATOM 263 HA LYS A 21 5.297 -1.469 22.339 1.00 0.00 H ATOM 264 HB2 LYS A 21 4.277 0.851 22.744 1.00 0.00 H ATOM 265 HB3 LYS A 21 4.373 1.122 20.988 1.00 0.00 H ATOM 266 HG2 LYS A 21 2.838 -0.767 20.598 1.00 0.00 H ATOM 267 HG3 LYS A 21 2.765 -1.083 22.348 1.00 0.00 H ATOM 268 HD2 LYS A 21 0.813 0.203 21.998 1.00 0.00 H ATOM 269 HD3 LYS A 21 1.985 1.443 22.502 1.00 0.00 H ATOM 270 HE2 LYS A 21 1.260 0.746 19.612 1.00 0.00 H ATOM 271 HE3 LYS A 21 2.443 1.978 20.110 1.00 0.00 H ATOM 272 HZ1 LYS A 21 -0.439 1.957 20.792 1.00 0.00 H ATOM 273 HZ2 LYS A 21 0.691 3.134 21.269 1.00 0.00 H ATOM 274 HZ3 LYS A 21 0.304 2.943 19.625 1.00 0.00 H ATOM 275 H LYS A 21 6.624 1.005 22.589 1.00 0.00 H ATOM 276 N TYR A 22 5.903 -0.491 19.266 1.00 29.68 N ATOM 277 CA TYR A 22 6.059 -0.991 17.894 1.00 30.24 C ATOM 278 C TYR A 22 7.083 -2.148 17.819 1.00 29.83 C ATOM 279 O TYR A 22 6.814 -3.195 17.215 1.00 29.80 O ATOM 280 CB TYR A 22 6.462 0.171 16.958 1.00 32.99 C ATOM 281 CG TYR A 22 6.311 -0.196 15.505 1.00 38.65 C ATOM 282 CD1 TYR A 22 5.128 0.114 14.812 1.00 39.52 C ATOM 283 CD2 TYR A 22 7.332 -0.926 14.813 1.00 42.64 C ATOM 284 CE1 TYR A 22 4.965 -0.241 13.478 1.00 39.05 C ATOM 285 CE2 TYR A 22 7.169 -1.303 13.454 1.00 40.70 C ATOM 286 CZ TYR A 22 5.958 -0.955 12.816 1.00 41.03 C ATOM 287 OH TYR A 22 5.729 -1.302 11.494 1.00 41.78 O ATOM 288 HA TYR A 22 5.101 -1.395 17.565 1.00 0.00 H ATOM 289 HB3 TYR A 22 7.503 0.432 17.149 1.00 0.00 H ATOM 290 HB2 TYR A 22 5.828 1.031 17.172 1.00 0.00 H ATOM 291 HD2 TYR A 22 8.248 -1.196 15.338 1.00 0.00 H ATOM 292 HE2 TYR A 22 7.952 -1.843 12.921 1.00 0.00 H ATOM 293 HE1 TYR A 22 4.055 0.041 12.949 1.00 0.00 H ATOM 294 HD1 TYR A 22 4.326 0.641 15.329 1.00 0.00 H ATOM 295 HH TYR A 22 4.835 -0.978 11.219 1.00 0.00 H ATOM 296 H TYR A 22 6.091 0.515 19.451 1.00 0.00 H ATOM 297 N ALA A 23 8.257 -1.975 18.441 1.00 28.70 N ATOM 298 CA ALA A 23 9.295 -3.024 18.426 1.00 27.38 C ATOM 299 C ALA A 23 8.936 -4.298 19.195 1.00 27.06 C ATOM 300 O ALA A 23 9.422 -5.421 18.856 1.00 25.54 O ATOM 301 CB ALA A 23 10.573 -2.451 18.982 1.00 29.60 C ATOM 302 HA ALA A 23 9.401 -3.330 17.385 1.00 0.00 H ATOM 303 HB1 ALA A 23 10.890 -1.609 18.367 1.00 0.00 H ATOM 304 HB2 ALA A 23 10.404 -2.113 20.004 1.00 0.00 H ATOM 305 HB3 ALA A 23 11.347 -3.219 18.975 1.00 0.00 H ATOM 306 H ALA A 23 8.440 -1.084 18.944 1.00 0.00 H ATOM 307 N ALA A 24 8.088 -4.138 20.231 1.00 26.24 N ATOM 308 CA ALA A 24 7.644 -5.284 21.011 1.00 25.19 C ATOM 309 C ALA A 24 6.799 -6.309 20.217 1.00 25.32 C ATOM 310 O ALA A 24 6.723 -7.506 20.588 1.00 25.45 O ATOM 311 CB ALA A 24 6.882 -4.772 22.211 1.00 26.96 C ATOM 312 HA ALA A 24 8.533 -5.837 21.315 1.00 0.00 H ATOM 313 HB1 ALA A 24 7.535 -4.140 22.812 1.00 0.00 H ATOM 314 HB2 ALA A 24 6.023 -4.192 21.874 1.00 0.00 H ATOM 315 HB3 ALA A 24 6.540 -5.616 22.810 1.00 0.00 H ATOM 316 H ALA A 24 7.748 -3.186 20.475 1.00 0.00 H ATOM 317 N HIS A 25 6.136 -5.883 19.131 1.00 24.08 N ATOM 318 CA HIS A 25 5.228 -6.828 18.401 1.00 23.32 C ATOM 319 C HIS A 25 5.880 -7.414 17.191 1.00 23.74 C ATOM 320 O HIS A 25 6.170 -6.697 16.238 1.00 24.16 O ATOM 321 CB HIS A 25 3.901 -6.164 18.024 1.00 23.27 C ATOM 322 CG HIS A 25 3.117 -5.712 19.219 1.00 23.90 C ATOM 323 ND1 HIS A 25 3.346 -4.506 19.855 1.00 23.87 N ATOM 324 CD2 HIS A 25 2.164 -6.342 19.940 1.00 22.47 C ATOM 325 CE1 HIS A 25 2.534 -4.387 20.882 1.00 18.73 C ATOM 326 NE2 HIS A 25 1.806 -5.492 20.955 1.00 23.97 N ATOM 327 HA HIS A 25 5.016 -7.643 19.092 1.00 0.00 H ATOM 328 HB2 HIS A 25 4.111 -5.298 17.397 1.00 0.00 H ATOM 329 HB3 HIS A 25 3.300 -6.880 17.463 1.00 0.00 H ATOM 330 HD2 HIS A 25 1.757 -7.336 19.751 1.00 0.00 H ATOM 331 HE1 HIS A 25 2.471 -3.531 21.554 1.00 0.00 H ATOM 332 H HIS A 25 6.251 -4.905 18.798 1.00 0.00 H ATOM 333 N THR A 26 6.135 -8.708 17.247 1.00 24.28 N ATOM 334 CA THR A 26 7.007 -9.380 16.275 1.00 26.64 C ATOM 335 C THR A 26 6.478 -10.784 15.996 1.00 26.78 C ATOM 336 O THR A 26 5.349 -11.106 16.314 1.00 27.53 O ATOM 337 CB THR A 26 8.529 -9.545 16.805 1.00 26.03 C ATOM 338 OG1 THR A 26 8.530 -10.273 18.031 1.00 28.88 O ATOM 339 CG2 THR A 26 9.190 -8.221 17.053 1.00 23.84 C ATOM 340 HA THR A 26 7.008 -8.755 15.382 1.00 0.00 H ATOM 341 HB THR A 26 9.083 -10.072 16.028 1.00 0.00 H ATOM 342 HG1 THR A 26 9.461 -10.373 18.353 1.00 0.00 H ATOM 343 HG23 THR A 26 9.202 -7.644 16.129 1.00 0.00 H ATOM 344 HG21 THR A 26 8.634 -7.676 17.816 1.00 0.00 H ATOM 345 HG22 THR A 26 10.212 -8.385 17.394 1.00 0.00 H ATOM 346 H THR A 26 5.703 -9.272 18.007 1.00 0.00 H ATOM 347 N ALA A 27 7.339 -11.619 15.442 1.00 28.19 N ATOM 348 CA ALA A 27 7.044 -13.000 15.261 1.00 28.83 C ATOM 349 C ALA A 27 7.106 -13.750 16.573 1.00 29.28 C ATOM 350 O ALA A 27 6.786 -14.925 16.626 1.00 29.14 O ATOM 351 CB ALA A 27 8.028 -13.633 14.214 1.00 29.88 C ATOM 352 HA ALA A 27 6.026 -13.083 14.880 1.00 0.00 H ATOM 353 HB1 ALA A 27 7.922 -13.117 13.260 1.00 0.00 H ATOM 354 HB2 ALA A 27 9.052 -13.531 14.572 1.00 0.00 H ATOM 355 HB3 ALA A 27 7.790 -14.689 14.086 1.00 0.00 H ATOM 356 H ALA A 27 8.262 -11.256 15.128 1.00 0.00 H ATOM 357 N ASP A 28 7.508 -13.098 17.639 1.00 30.35 N ATOM 358 CA ASP A 28 7.653 -13.831 18.889 1.00 32.95 C ATOM 359 C ASP A 28 7.415 -12.951 20.098 1.00 33.09 C ATOM 360 O ASP A 28 8.077 -13.106 21.170 1.00 33.73 O ATOM 361 CB ASP A 28 9.039 -14.504 19.018 1.00 34.56 C ATOM 362 CG ASP A 28 8.978 -15.768 19.895 1.00 38.09 C ATOM 363 OD1 ASP A 28 7.992 -16.553 19.779 1.00 40.63 O ATOM 364 OD2 ASP A 28 9.905 -15.959 20.720 1.00 39.22 O ATOM 365 HA ASP A 28 6.888 -14.607 18.861 1.00 0.00 H ATOM 366 HB2 ASP A 28 9.392 -14.780 18.024 1.00 0.00 H ATOM 367 HB3 ASP A 28 9.736 -13.796 19.466 1.00 0.00 H ATOM 368 H ASP A 28 7.718 -12.081 17.592 1.00 0.00 H ATOM 369 N THR A 29 6.467 -12.039 19.910 1.00 30.77 N ATOM 370 CA THR A 29 6.013 -11.148 20.951 1.00 29.50 C ATOM 371 C THR A 29 6.033 -11.787 22.381 1.00 28.84 C ATOM 372 O THR A 29 5.474 -12.882 22.641 1.00 27.18 O ATOM 373 CB THR A 29 4.665 -10.546 20.534 1.00 29.19 C ATOM 374 OG1 THR A 29 4.826 -10.005 19.194 1.00 25.89 O ATOM 375 CG2 THR A 29 4.221 -9.421 21.502 1.00 27.95 C ATOM 376 HA THR A 29 6.726 -10.330 21.055 1.00 0.00 H ATOM 377 HB THR A 29 3.896 -11.318 20.561 1.00 0.00 H ATOM 378 HG1 THR A 29 3.970 -9.608 18.895 1.00 0.00 H ATOM 379 HG23 THR A 29 4.102 -9.832 22.504 1.00 0.00 H ATOM 380 HG21 THR A 29 4.978 -8.637 21.517 1.00 0.00 H ATOM 381 HG22 THR A 29 3.272 -9.005 21.163 1.00 0.00 H ATOM 382 H THR A 29 6.032 -11.964 18.969 1.00 0.00 H ATOM 383 N ARG A 30 6.756 -11.098 23.264 1.00 27.86 N ATOM 384 CA ARG A 30 6.847 -11.458 24.670 1.00 28.69 C ATOM 385 C ARG A 30 5.530 -11.024 25.302 1.00 26.57 C ATOM 386 O ARG A 30 4.935 -10.029 24.847 1.00 24.09 O ATOM 387 CB ARG A 30 8.055 -10.739 25.319 1.00 28.13 C ATOM 388 CG ARG A 30 9.397 -11.448 25.095 1.00 32.38 C ATOM 389 CD ARG A 30 10.555 -10.805 25.930 1.00 33.68 C ATOM 390 NE ARG A 30 11.593 -10.129 25.142 1.00 44.38 N ATOM 391 CZ ARG A 30 12.843 -10.596 24.942 1.00 51.18 C ATOM 392 NH1 ARG A 30 13.221 -11.775 25.488 1.00 51.97 N ATOM 393 NH2 ARG A 30 13.737 -9.888 24.195 1.00 49.23 N ATOM 394 HA ARG A 30 7.004 -12.527 24.813 1.00 0.00 H ATOM 395 HB2 ARG A 30 8.123 -9.735 24.899 1.00 0.00 H ATOM 396 HB3 ARG A 30 7.878 -10.671 26.392 1.00 0.00 H ATOM 397 HG2 ARG A 30 9.294 -12.494 25.385 1.00 0.00 H ATOM 398 HG3 ARG A 30 9.653 -11.389 24.037 1.00 0.00 H ATOM 399 HD2 ARG A 30 11.032 -11.595 26.510 1.00 0.00 H ATOM 400 HD3 ARG A 30 10.116 -10.073 26.608 1.00 0.00 H ATOM 401 HE ARG A 30 11.345 -9.219 24.704 1.00 0.00 H ATOM 402 HH12 ARG A 30 14.185 -12.134 25.333 1.00 0.00 H ATOM 403 HH11 ARG A 30 12.548 -12.322 26.062 1.00 0.00 H ATOM 404 HH22 ARG A 30 14.698 -10.257 24.047 1.00 0.00 H ATOM 405 HH21 ARG A 30 13.458 -8.979 23.773 1.00 0.00 H ATOM 406 H ARG A 30 7.280 -10.263 22.932 1.00 0.00 H ATOM 407 N LEU A 31 5.060 -11.816 26.282 1.00 24.86 N ATOM 408 CA LEU A 31 3.873 -11.532 27.063 1.00 22.62 C ATOM 409 C LEU A 31 3.836 -10.105 27.565 1.00 23.40 C ATOM 410 O LEU A 31 4.865 -9.573 28.013 1.00 24.16 O ATOM 411 CB LEU A 31 3.814 -12.501 28.226 1.00 21.75 C ATOM 412 CG LEU A 31 2.482 -12.499 28.988 1.00 17.75 C ATOM 413 CD1 LEU A 31 1.322 -12.789 28.036 1.00 14.89 C ATOM 414 CD2 LEU A 31 2.540 -13.528 30.096 1.00 20.78 C ATOM 415 HA LEU A 31 3.003 -11.656 26.418 1.00 0.00 H ATOM 416 HB2 LEU A 31 3.985 -13.506 27.841 1.00 0.00 H ATOM 417 HB3 LEU A 31 4.608 -12.242 28.926 1.00 0.00 H ATOM 418 HG LEU A 31 2.315 -11.515 29.426 1.00 0.00 H ATOM 419 HD21 LEU A 31 2.714 -14.514 29.666 1.00 0.00 H ATOM 420 HD22 LEU A 31 3.353 -13.280 30.779 1.00 0.00 H ATOM 421 HD23 LEU A 31 1.595 -13.529 30.639 1.00 0.00 H ATOM 422 HD11 LEU A 31 1.289 -12.023 27.261 1.00 0.00 H ATOM 423 HD12 LEU A 31 1.467 -13.767 27.576 1.00 0.00 H ATOM 424 HD13 LEU A 31 0.386 -12.784 28.594 1.00 0.00 H ATOM 425 H LEU A 31 5.583 -12.690 26.493 1.00 0.00 H ATOM 426 N HIS A 32 2.688 -9.432 27.469 1.00 22.43 N ATOM 427 CA HIS A 32 2.687 -8.041 27.955 1.00 21.85 C ATOM 428 C HIS A 32 1.288 -7.563 28.273 1.00 21.98 C ATOM 429 O HIS A 32 0.290 -8.284 27.999 1.00 21.20 O ATOM 430 CB HIS A 32 3.403 -7.099 26.964 1.00 21.31 C ATOM 431 CG HIS A 32 2.714 -6.986 25.633 1.00 22.48 C ATOM 432 ND1 HIS A 32 2.933 -7.879 24.599 1.00 22.27 N ATOM 433 CD2 HIS A 32 1.793 -6.105 25.177 1.00 20.77 C ATOM 434 CE1 HIS A 32 2.180 -7.553 23.566 1.00 20.68 C ATOM 435 NE2 HIS A 32 1.510 -6.462 23.876 1.00 24.58 N ATOM 436 HA HIS A 32 3.251 -8.019 28.888 1.00 0.00 H ATOM 437 HB2 HIS A 32 3.456 -6.106 27.410 1.00 0.00 H ATOM 438 HB3 HIS A 32 4.412 -7.476 26.799 1.00 0.00 H ATOM 439 HD2 HIS A 32 1.359 -5.273 25.732 1.00 0.00 H ATOM 440 HE1 HIS A 32 2.122 -8.092 22.621 1.00 0.00 H ATOM 441 H HIS A 32 1.833 -9.869 27.069 1.00 0.00 H ATOM 442 N LEU A 33 1.223 -6.352 28.842 1.00 21.66 N ATOM 443 CA LEU A 33 -0.055 -5.765 29.326 1.00 22.47 C ATOM 444 C LEU A 33 -0.844 -5.001 28.202 1.00 21.08 C ATOM 445 O LEU A 33 -0.281 -4.149 27.485 1.00 20.34 O ATOM 446 CB LEU A 33 0.202 -4.818 30.536 1.00 22.58 C ATOM 447 CG LEU A 33 -1.040 -4.426 31.365 1.00 24.88 C ATOM 448 CD1 LEU A 33 -1.781 -5.709 32.037 1.00 30.93 C ATOM 449 CD2 LEU A 33 -0.731 -3.361 32.404 1.00 23.91 C ATOM 450 HA LEU A 33 -0.679 -6.601 29.642 1.00 0.00 H ATOM 451 HB2 LEU A 33 0.906 -5.314 31.204 1.00 0.00 H ATOM 452 HB3 LEU A 33 0.650 -3.901 30.153 1.00 0.00 H ATOM 453 HG LEU A 33 -1.742 -3.992 30.653 1.00 0.00 H ATOM 454 HD21 LEU A 33 0.028 -3.735 33.091 1.00 0.00 H ATOM 455 HD22 LEU A 33 -0.362 -2.465 31.905 1.00 0.00 H ATOM 456 HD23 LEU A 33 -1.638 -3.122 32.959 1.00 0.00 H ATOM 457 HD11 LEU A 33 -2.106 -6.392 31.252 1.00 0.00 H ATOM 458 HD12 LEU A 33 -1.085 -6.222 32.701 1.00 0.00 H ATOM 459 HD13 LEU A 33 -2.646 -5.370 32.607 1.00 0.00 H ATOM 460 H LEU A 33 2.099 -5.802 28.949 1.00 0.00 H ATOM 461 N ALA A 34 -2.135 -5.333 28.062 1.00 20.34 N ATOM 462 CA ALA A 34 -3.013 -4.727 27.065 1.00 19.24 C ATOM 463 C ALA A 34 -4.366 -4.502 27.756 1.00 18.18 C ATOM 464 O ALA A 34 -4.487 -4.843 28.932 1.00 17.51 O ATOM 465 CB ALA A 34 -3.117 -5.646 25.863 1.00 17.22 C ATOM 466 HA ALA A 34 -2.634 -3.775 26.695 1.00 0.00 H ATOM 467 HB1 ALA A 34 -2.126 -5.795 25.435 1.00 0.00 H ATOM 468 HB2 ALA A 34 -3.527 -6.606 26.176 1.00 0.00 H ATOM 469 HB3 ALA A 34 -3.772 -5.195 25.118 1.00 0.00 H ATOM 470 H ALA A 34 -2.531 -6.058 28.694 1.00 0.00 H ATOM 471 N PHE A 35 -5.355 -3.909 27.057 1.00 18.03 N ATOM 472 CA PHE A 35 -6.802 -3.929 27.497 1.00 19.36 C ATOM 473 C PHE A 35 -7.662 -4.046 26.252 1.00 18.86 C ATOM 474 O PHE A 35 -7.215 -3.685 25.203 1.00 19.89 O ATOM 475 CB PHE A 35 -7.204 -2.639 28.260 1.00 17.61 C ATOM 476 CG PHE A 35 -7.177 -1.394 27.372 1.00 18.67 C ATOM 477 CD1 PHE A 35 -8.235 -1.092 26.540 1.00 16.61 C ATOM 478 CD2 PHE A 35 -6.051 -0.591 27.301 1.00 18.87 C ATOM 479 CE1 PHE A 35 -8.171 0.014 25.670 1.00 19.62 C ATOM 480 CE2 PHE A 35 -5.989 0.529 26.416 1.00 17.37 C ATOM 481 CZ PHE A 35 -7.023 0.809 25.619 1.00 14.84 C ATOM 482 HA PHE A 35 -6.945 -4.770 28.176 1.00 0.00 H ATOM 483 HB2 PHE A 35 -8.213 -2.766 28.652 1.00 0.00 H ATOM 484 HB3 PHE A 35 -6.510 -2.492 29.087 1.00 0.00 H ATOM 485 HD2 PHE A 35 -5.193 -0.818 27.934 1.00 0.00 H ATOM 486 HE2 PHE A 35 -5.097 1.155 26.391 1.00 0.00 H ATOM 487 HZ PHE A 35 -6.972 1.654 24.932 1.00 0.00 H ATOM 488 HE1 PHE A 35 -9.023 0.251 25.032 1.00 0.00 H ATOM 489 HD1 PHE A 35 -9.129 -1.715 26.556 1.00 0.00 H ATOM 490 H PHE A 35 -5.112 -3.415 26.175 1.00 0.00 H ATOM 491 N SER A 36 -8.906 -4.494 26.383 1.00 20.16 N ATOM 492 CA SER A 36 -9.938 -4.327 25.364 1.00 20.14 C ATOM 493 C SER A 36 -11.127 -3.721 26.026 1.00 20.32 C ATOM 494 O SER A 36 -11.364 -3.961 27.226 1.00 18.97 O ATOM 495 CB SER A 36 -10.367 -5.641 24.753 1.00 19.09 C ATOM 496 OG SER A 36 -9.233 -6.218 24.149 1.00 25.92 O ATOM 497 HA SER A 36 -9.533 -3.704 24.567 1.00 0.00 H ATOM 498 HB2 SER A 36 -11.140 -5.469 24.005 1.00 0.00 H ATOM 499 HB3 SER A 36 -10.754 -6.303 25.528 1.00 0.00 H ATOM 500 HG SER A 36 -8.886 -5.608 23.450 1.00 0.00 H ATOM 501 H SER A 36 -9.159 -4.992 27.261 1.00 0.00 H ATOM 502 N SER A 37 -11.877 -2.931 25.237 1.00 19.61 N ATOM 503 CA SER A 37 -13.082 -2.291 25.720 1.00 20.11 C ATOM 504 C SER A 37 -14.161 -2.410 24.640 1.00 19.24 C ATOM 505 O SER A 37 -13.856 -2.324 23.426 1.00 20.73 O ATOM 506 CB SER A 37 -12.762 -0.839 26.102 1.00 20.63 C ATOM 507 OG SER A 37 -12.680 0.003 24.935 1.00 24.04 O ATOM 508 HA SER A 37 -13.464 -2.775 26.618 1.00 0.00 H ATOM 509 HB2 SER A 37 -11.808 -0.812 26.628 1.00 0.00 H ATOM 510 HB3 SER A 37 -13.547 -0.463 26.758 1.00 0.00 H ATOM 511 HG SER A 37 -11.965 -0.331 24.338 1.00 0.00 H ATOM 512 H SER A 37 -11.583 -2.776 24.252 1.00 0.00 H ATOM 513 N TRP A 38 -15.381 -2.643 25.082 1.00 18.37 N ATOM 514 CA TRP A 38 -16.561 -2.780 24.251 1.00 18.11 C ATOM 515 C TRP A 38 -17.386 -1.558 24.576 1.00 18.53 C ATOM 516 O TRP A 38 -17.797 -1.389 25.732 1.00 17.48 O ATOM 517 CB TRP A 38 -17.288 -4.101 24.627 1.00 18.24 C ATOM 518 CG TRP A 38 -16.448 -5.385 24.207 1.00 18.75 C ATOM 519 CD1 TRP A 38 -15.176 -5.760 24.679 1.00 14.96 C ATOM 520 CD2 TRP A 38 -16.842 -6.413 23.253 1.00 16.40 C ATOM 521 NE1 TRP A 38 -14.786 -6.951 24.042 1.00 20.89 N ATOM 522 CE2 TRP A 38 -15.784 -7.373 23.195 1.00 17.96 C ATOM 523 CE3 TRP A 38 -17.988 -6.620 22.470 1.00 19.14 C ATOM 524 CZ2 TRP A 38 -15.809 -8.489 22.330 1.00 18.56 C ATOM 525 CZ3 TRP A 38 -18.039 -7.776 21.639 1.00 20.71 C ATOM 526 CH2 TRP A 38 -16.947 -8.721 21.623 1.00 17.98 C ATOM 527 HA TRP A 38 -16.353 -2.836 23.182 1.00 0.00 H ATOM 528 HB2 TRP A 38 -17.446 -4.121 25.705 1.00 0.00 H ATOM 529 HB3 TRP A 38 -18.252 -4.129 24.119 1.00 0.00 H ATOM 530 HE1 TRP A 38 -13.880 -7.439 24.189 1.00 0.00 H ATOM 531 HD1 TRP A 38 -14.589 -5.215 25.418 1.00 0.00 H ATOM 532 HZ2 TRP A 38 -14.943 -9.144 22.232 1.00 0.00 H ATOM 533 HH2 TRP A 38 -17.037 -9.634 21.035 1.00 0.00 H ATOM 534 HZ3 TRP A 38 -18.911 -7.949 21.009 1.00 0.00 H ATOM 535 HE3 TRP A 38 -18.818 -5.914 22.497 1.00 0.00 H ATOM 536 H TRP A 38 -15.507 -2.736 26.110 1.00 0.00 H ATOM 537 N LEU A 39 -17.574 -0.686 23.571 1.00 18.44 N ATOM 538 CA LEU A 39 -18.240 0.618 23.753 1.00 17.94 C ATOM 539 C LEU A 39 -19.671 0.550 23.290 1.00 17.81 C ATOM 540 O LEU A 39 -19.950 -0.050 22.242 1.00 17.76 O ATOM 541 CB LEU A 39 -17.492 1.713 22.993 1.00 15.86 C ATOM 542 CG LEU A 39 -16.087 1.958 23.500 1.00 19.42 C ATOM 543 CD1 LEU A 39 -15.499 3.215 22.793 1.00 19.67 C ATOM 544 CD2 LEU A 39 -15.947 2.021 25.046 1.00 16.96 C ATOM 545 HA LEU A 39 -18.229 0.861 24.815 1.00 0.00 H ATOM 546 HB2 LEU A 39 -17.434 1.425 21.943 1.00 0.00 H ATOM 547 HB3 LEU A 39 -18.057 2.641 23.083 1.00 0.00 H ATOM 548 HG LEU A 39 -15.497 1.080 23.236 1.00 0.00 H ATOM 549 HD21 LEU A 39 -16.564 2.832 25.433 1.00 0.00 H ATOM 550 HD22 LEU A 39 -16.274 1.075 25.478 1.00 0.00 H ATOM 551 HD23 LEU A 39 -14.904 2.200 25.308 1.00 0.00 H ATOM 552 HD11 LEU A 39 -15.476 3.047 21.716 1.00 0.00 H ATOM 553 HD12 LEU A 39 -16.124 4.080 23.014 1.00 0.00 H ATOM 554 HD13 LEU A 39 -14.487 3.394 23.156 1.00 0.00 H ATOM 555 H LEU A 39 -17.235 -0.942 22.622 1.00 0.00 H ATOM 556 N PHE A 40 -20.596 1.109 24.066 1.00 17.72 N ATOM 557 CA PHE A 40 -22.031 0.978 23.688 1.00 18.54 C ATOM 558 C PHE A 40 -22.689 2.370 23.599 1.00 18.96 C ATOM 559 O PHE A 40 -22.356 3.217 24.377 1.00 18.08 O ATOM 560 CB PHE A 40 -22.801 0.056 24.688 1.00 19.27 C ATOM 561 CG PHE A 40 -22.335 -1.365 24.645 1.00 16.95 C ATOM 562 CD1 PHE A 40 -21.231 -1.761 25.376 1.00 18.05 C ATOM 563 CD2 PHE A 40 -22.948 -2.274 23.817 1.00 19.05 C ATOM 564 CE1 PHE A 40 -20.768 -3.109 25.328 1.00 19.77 C ATOM 565 CE2 PHE A 40 -22.456 -3.635 23.743 1.00 21.50 C ATOM 566 CZ PHE A 40 -21.399 -4.027 24.522 1.00 14.36 C ATOM 567 HA PHE A 40 -22.083 0.507 22.706 1.00 0.00 H ATOM 568 HB2 PHE A 40 -22.656 0.440 25.698 1.00 0.00 H ATOM 569 HB3 PHE A 40 -23.862 0.082 24.440 1.00 0.00 H ATOM 570 HD2 PHE A 40 -23.805 -1.971 23.215 1.00 0.00 H ATOM 571 HE2 PHE A 40 -22.927 -4.348 23.067 1.00 0.00 H ATOM 572 HZ PHE A 40 -21.060 -5.063 24.503 1.00 0.00 H ATOM 573 HE1 PHE A 40 -19.912 -3.412 25.931 1.00 0.00 H ATOM 574 HD1 PHE A 40 -20.708 -1.034 25.997 1.00 0.00 H ATOM 575 H PHE A 40 -20.321 1.630 24.923 1.00 0.00 H ATOM 576 N ASN A 41 -23.568 2.636 22.633 1.00 19.72 N ATOM 577 CA ASN A 41 -24.191 3.991 22.610 1.00 21.10 C ATOM 578 C ASN A 41 -25.415 4.043 23.538 1.00 21.45 C ATOM 579 O ASN A 41 -25.753 3.037 24.167 1.00 19.59 O ATOM 580 CB ASN A 41 -24.522 4.439 21.170 1.00 20.13 C ATOM 581 CG ASN A 41 -25.536 3.528 20.504 1.00 20.07 C ATOM 582 OD1 ASN A 41 -26.252 2.736 21.162 1.00 19.92 O ATOM 583 ND2 ASN A 41 -25.652 3.664 19.212 1.00 21.93 N ATOM 584 HA ASN A 41 -23.464 4.707 22.994 1.00 0.00 H ATOM 585 HB2 ASN A 41 -24.926 5.451 21.201 1.00 0.00 H ATOM 586 HB3 ASN A 41 -23.605 4.434 20.581 1.00 0.00 H ATOM 587 HD22 ASN A 41 -25.039 4.332 18.702 1.00 0.00 H ATOM 588 HD21 ASN A 41 -26.357 3.105 18.691 1.00 0.00 H ATOM 589 H ASN A 41 -23.812 1.921 21.918 1.00 0.00 H ATOM 590 N ALA A 42 -26.101 5.186 23.579 1.00 24.05 N ATOM 591 CA ALA A 42 -27.363 5.359 24.352 1.00 25.40 C ATOM 592 C ALA A 42 -28.451 4.375 24.006 1.00 26.02 C ATOM 593 O ALA A 42 -29.320 4.085 24.829 1.00 28.21 O ATOM 594 CB ALA A 42 -27.912 6.822 24.190 1.00 26.40 C ATOM 595 HA ALA A 42 -27.090 5.161 25.389 1.00 0.00 H ATOM 596 HB1 ALA A 42 -27.170 7.530 24.559 1.00 0.00 H ATOM 597 HB2 ALA A 42 -28.112 7.019 23.137 1.00 0.00 H ATOM 598 HB3 ALA A 42 -28.834 6.928 24.762 1.00 0.00 H ATOM 599 H ALA A 42 -25.736 5.999 23.043 1.00 0.00 H ATOM 600 N LYS A 43 -28.404 3.837 22.795 1.00 26.85 N ATOM 601 CA LYS A 43 -29.412 2.880 22.299 1.00 25.83 C ATOM 602 C LYS A 43 -29.047 1.451 22.675 1.00 24.31 C ATOM 603 O LYS A 43 -29.760 0.562 22.277 1.00 24.40 O ATOM 604 CB LYS A 43 -29.505 2.896 20.738 1.00 26.48 C ATOM 605 CG LYS A 43 -30.134 4.100 20.012 1.00 29.64 C ATOM 606 CD LYS A 43 -31.076 4.880 20.913 1.00 36.86 C ATOM 607 CE LYS A 43 -30.939 6.430 20.754 1.00 42.29 C ATOM 608 NZ LYS A 43 -31.591 7.141 21.935 1.00 43.04 N ATOM 609 HA LYS A 43 -30.355 3.186 22.752 1.00 0.00 H ATOM 610 HB2 LYS A 43 -28.487 2.799 20.362 1.00 0.00 H ATOM 611 HB3 LYS A 43 -30.083 2.018 20.449 1.00 0.00 H ATOM 612 HG2 LYS A 43 -29.338 4.764 19.676 1.00 0.00 H ATOM 613 HG3 LYS A 43 -30.692 3.738 19.148 1.00 0.00 H ATOM 614 HD2 LYS A 43 -32.100 4.596 20.672 1.00 0.00 H ATOM 615 HD3 LYS A 43 -30.862 4.618 21.949 1.00 0.00 H ATOM 616 HE2 LYS A 43 -31.428 6.742 19.831 1.00 0.00 H ATOM 617 HE3 LYS A 43 -29.883 6.696 20.712 1.00 0.00 H ATOM 618 HZ1 LYS A 43 -32.600 6.890 21.975 1.00 0.00 H ATOM 619 HZ2 LYS A 43 -31.124 6.846 22.816 1.00 0.00 H ATOM 620 HZ3 LYS A 43 -31.493 8.169 21.816 1.00 0.00 H ATOM 621 H LYS A 43 -27.620 4.102 22.165 1.00 0.00 H ATOM 622 N GLY A 44 -27.856 1.234 23.268 1.00 23.06 N ATOM 623 CA GLY A 44 -27.322 -0.110 23.612 1.00 22.09 C ATOM 624 C GLY A 44 -26.568 -0.844 22.488 1.00 22.60 C ATOM 625 O GLY A 44 -26.223 -2.003 22.618 1.00 22.89 O ATOM 626 HA3 GLY A 44 -28.162 -0.736 23.915 1.00 0.00 H ATOM 627 HA2 GLY A 44 -26.637 0.008 24.452 1.00 0.00 H ATOM 628 H GLY A 44 -27.272 2.062 23.500 1.00 0.00 H ATOM 629 N GLN A 45 -26.378 -0.169 21.366 1.00 21.38 N ATOM 630 CA GLN A 45 -25.669 -0.697 20.256 1.00 21.55 C ATOM 631 C GLN A 45 -24.152 -0.665 20.529 1.00 21.54 C ATOM 632 O GLN A 45 -23.583 0.313 21.048 1.00 21.51 O ATOM 633 CB GLN A 45 -25.973 0.169 19.008 1.00 21.65 C ATOM 634 CG GLN A 45 -27.425 0.129 18.490 1.00 21.79 C ATOM 635 CD GLN A 45 -27.551 1.052 17.321 1.00 22.69 C ATOM 636 OE1 GLN A 45 -27.099 2.211 17.368 1.00 23.36 O ATOM 637 NE2 GLN A 45 -28.155 0.564 16.253 1.00 23.90 N ATOM 638 HA GLN A 45 -25.981 -1.728 20.090 1.00 0.00 H ATOM 639 HB2 GLN A 45 -25.736 1.204 19.255 1.00 0.00 H ATOM 640 HB3 GLN A 45 -25.322 -0.169 18.202 1.00 0.00 H ATOM 641 HG2 GLN A 45 -27.676 -0.886 18.183 1.00 0.00 H ATOM 642 HG3 GLN A 45 -28.104 0.446 19.281 1.00 0.00 H ATOM 643 HE22 GLN A 45 -28.517 -0.411 16.260 1.00 0.00 H ATOM 644 HE21 GLN A 45 -28.269 1.155 15.405 1.00 0.00 H ATOM 645 H GLN A 45 -26.766 0.793 21.294 1.00 0.00 H ATOM 646 N LEU A 46 -23.516 -1.758 20.134 1.00 21.48 N ATOM 647 CA LEU A 46 -22.082 -1.942 20.189 1.00 20.72 C ATOM 648 C LEU A 46 -21.443 -1.214 19.021 1.00 20.62 C ATOM 649 O LEU A 46 -21.922 -1.297 17.890 1.00 18.04 O ATOM 650 CB LEU A 46 -21.761 -3.461 20.136 1.00 19.35 C ATOM 651 CG LEU A 46 -20.323 -3.867 20.006 1.00 21.37 C ATOM 652 CD1 LEU A 46 -19.510 -3.402 21.281 1.00 18.14 C ATOM 653 CD2 LEU A 46 -20.346 -5.370 19.804 1.00 21.41 C ATOM 654 HA LEU A 46 -21.682 -1.533 21.117 1.00 0.00 H ATOM 655 HB2 LEU A 46 -22.143 -3.907 21.054 1.00 0.00 H ATOM 656 HB3 LEU A 46 -22.295 -3.877 19.282 1.00 0.00 H ATOM 657 HG LEU A 46 -19.814 -3.395 19.166 1.00 0.00 H ATOM 658 HD21 LEU A 46 -20.819 -5.844 20.664 1.00 0.00 H ATOM 659 HD22 LEU A 46 -20.911 -5.605 18.902 1.00 0.00 H ATOM 660 HD23 LEU A 46 -19.325 -5.737 19.701 1.00 0.00 H ATOM 661 HD11 LEU A 46 -19.569 -2.317 21.373 1.00 0.00 H ATOM 662 HD12 LEU A 46 -19.935 -3.867 22.171 1.00 0.00 H ATOM 663 HD13 LEU A 46 -18.468 -3.702 21.175 1.00 0.00 H ATOM 664 H LEU A 46 -24.089 -2.540 19.757 1.00 0.00 H ATOM 665 N LEU A 47 -20.327 -0.533 19.334 1.00 20.40 N ATOM 666 CA LEU A 47 -19.426 0.022 18.336 1.00 18.45 C ATOM 667 C LEU A 47 -18.405 -1.020 17.873 1.00 19.67 C ATOM 668 O LEU A 47 -17.522 -1.430 18.651 1.00 18.99 O ATOM 669 CB LEU A 47 -18.739 1.259 18.856 1.00 16.98 C ATOM 670 CG LEU A 47 -17.925 2.120 17.866 1.00 18.40 C ATOM 671 CD1 LEU A 47 -18.876 2.564 16.682 1.00 10.52 C ATOM 672 CD2 LEU A 47 -17.322 3.347 18.666 1.00 17.97 C ATOM 673 HA LEU A 47 -20.024 0.309 17.471 1.00 0.00 H ATOM 674 HB2 LEU A 47 -19.510 1.901 19.283 1.00 0.00 H ATOM 675 HB3 LEU A 47 -18.056 0.941 19.644 1.00 0.00 H ATOM 676 HG LEU A 47 -17.095 1.568 17.424 1.00 0.00 H ATOM 677 HD21 LEU A 47 -18.134 3.933 19.096 1.00 0.00 H ATOM 678 HD22 LEU A 47 -16.677 2.978 19.463 1.00 0.00 H ATOM 679 HD23 LEU A 47 -16.741 3.972 17.987 1.00 0.00 H ATOM 680 HD11 LEU A 47 -19.261 1.679 16.175 1.00 0.00 H ATOM 681 HD12 LEU A 47 -19.707 3.145 17.083 1.00 0.00 H ATOM 682 HD13 LEU A 47 -18.313 3.173 15.975 1.00 0.00 H ATOM 683 H LEU A 47 -20.097 -0.396 20.339 1.00 0.00 H ATOM 684 N VAL A 48 -18.533 -1.481 16.615 1.00 19.30 N ATOM 685 CA VAL A 48 -17.511 -2.380 16.064 1.00 19.40 C ATOM 686 C VAL A 48 -16.578 -1.581 15.148 1.00 18.52 C ATOM 687 O VAL A 48 -17.049 -0.719 14.399 1.00 18.28 O ATOM 688 CB VAL A 48 -18.108 -3.758 15.457 1.00 20.83 C ATOM 689 CG1 VAL A 48 -19.049 -4.351 16.445 1.00 20.97 C ATOM 690 CG2 VAL A 48 -18.929 -3.492 14.213 1.00 23.28 C ATOM 691 HA VAL A 48 -16.892 -2.764 16.875 1.00 0.00 H ATOM 692 HB VAL A 48 -17.267 -4.413 15.230 1.00 0.00 H ATOM 693 HG11 VAL A 48 -18.517 -4.557 17.374 1.00 0.00 H ATOM 694 HG12 VAL A 48 -19.861 -3.650 16.638 1.00 0.00 H ATOM 695 HG13 VAL A 48 -19.456 -5.280 16.045 1.00 0.00 H ATOM 696 HG21 VAL A 48 -19.759 -2.830 14.461 1.00 0.00 H ATOM 697 HG22 VAL A 48 -18.300 -3.020 13.458 1.00 0.00 H ATOM 698 HG23 VAL A 48 -19.317 -4.435 13.827 1.00 0.00 H ATOM 699 H VAL A 48 -19.351 -1.202 16.036 1.00 0.00 H ATOM 700 N THR A 49 -15.267 -1.817 15.210 1.00 17.19 N ATOM 701 CA THR A 49 -14.400 -0.971 14.460 1.00 18.32 C ATOM 702 C THR A 49 -13.545 -1.845 13.559 1.00 19.19 C ATOM 703 O THR A 49 -13.308 -3.004 13.876 1.00 19.12 O ATOM 704 CB THR A 49 -13.558 -0.104 15.354 1.00 18.58 C ATOM 705 OG1 THR A 49 -12.797 -0.960 16.233 1.00 20.31 O ATOM 706 CG2 THR A 49 -14.470 0.872 16.161 1.00 16.47 C ATOM 707 HA THR A 49 -14.993 -0.288 13.852 1.00 0.00 H ATOM 708 HB THR A 49 -12.871 0.502 14.763 1.00 0.00 H ATOM 709 HG1 THR A 49 -13.417 -1.507 16.777 1.00 0.00 H ATOM 710 HG23 THR A 49 -15.029 1.502 15.468 1.00 0.00 H ATOM 711 HG21 THR A 49 -15.165 0.296 16.772 1.00 0.00 H ATOM 712 HG22 THR A 49 -13.851 1.497 16.804 1.00 0.00 H ATOM 713 H THR A 49 -14.889 -2.595 15.788 1.00 0.00 H ATOM 714 N ARG A 50 -13.156 -1.291 12.419 1.00 18.58 N ATOM 715 CA ARG A 50 -12.194 -1.909 11.523 1.00 18.02 C ATOM 716 C ARG A 50 -10.882 -1.150 11.676 1.00 17.56 C ATOM 717 O ARG A 50 -10.754 0.060 11.387 1.00 17.20 O ATOM 718 CB ARG A 50 -12.698 -1.811 10.096 1.00 17.44 C ATOM 719 CG ARG A 50 -12.074 -2.759 9.169 1.00 16.55 C ATOM 720 CD ARG A 50 -12.641 -2.793 7.720 1.00 19.30 C ATOM 721 NE ARG A 50 -11.698 -3.637 6.940 1.00 15.16 N ATOM 722 CZ ARG A 50 -11.391 -3.460 5.664 1.00 18.37 C ATOM 723 NH1 ARG A 50 -12.067 -2.589 4.945 1.00 20.16 N ATOM 724 NH2 ARG A 50 -10.421 -4.173 5.112 1.00 16.40 N ATOM 725 HA ARG A 50 -12.052 -2.963 11.762 1.00 0.00 H ATOM 726 HB2 ARG A 50 -13.772 -1.994 10.100 1.00 0.00 H ATOM 727 HB3 ARG A 50 -12.504 -0.801 9.734 1.00 0.00 H ATOM 728 HG2 ARG A 50 -11.015 -2.510 9.104 1.00 0.00 H ATOM 729 HG3 ARG A 50 -12.186 -3.757 9.592 1.00 0.00 H ATOM 730 HD2 ARG A 50 -12.684 -1.786 7.304 1.00 0.00 H ATOM 731 HD3 ARG A 50 -13.639 -3.231 7.712 1.00 0.00 H ATOM 732 HE ARG A 50 -11.243 -4.430 7.436 1.00 0.00 H ATOM 733 HH12 ARG A 50 -11.830 -2.446 3.943 1.00 0.00 H ATOM 734 HH11 ARG A 50 -12.838 -2.043 5.379 1.00 0.00 H ATOM 735 HH22 ARG A 50 -10.179 -4.034 4.110 1.00 0.00 H ATOM 736 HH21 ARG A 50 -9.901 -4.871 5.681 1.00 0.00 H ATOM 737 H ARG A 50 -13.559 -0.370 12.153 1.00 0.00 H ATOM 738 N ARG A 51 -9.875 -1.852 12.127 1.00 18.66 N ATOM 739 CA ARG A 51 -8.556 -1.207 12.341 1.00 17.24 C ATOM 740 C ARG A 51 -7.965 -0.660 11.022 1.00 18.87 C ATOM 741 O ARG A 51 -8.164 -1.313 9.965 1.00 19.77 O ATOM 742 CB ARG A 51 -7.639 -2.246 12.866 1.00 16.99 C ATOM 743 CG ARG A 51 -8.161 -2.927 14.130 1.00 18.37 C ATOM 744 CD ARG A 51 -7.304 -4.146 14.565 1.00 13.19 C ATOM 745 NE ARG A 51 -5.813 -4.029 14.661 1.00 17.12 N ATOM 746 CZ ARG A 51 -5.160 -3.502 15.706 1.00 19.51 C ATOM 747 NH1 ARG A 51 -5.833 -2.981 16.741 1.00 19.71 N ATOM 748 NH2 ARG A 51 -3.832 -3.517 15.759 1.00 17.22 N ATOM 749 HA ARG A 51 -8.676 -0.370 13.029 1.00 0.00 H ATOM 750 HB2 ARG A 51 -7.498 -3.005 12.096 1.00 0.00 H ATOM 751 HB3 ARG A 51 -6.681 -1.779 13.094 1.00 0.00 H ATOM 752 HG2 ARG A 51 -8.164 -2.198 14.941 1.00 0.00 H ATOM 753 HG3 ARG A 51 -9.180 -3.267 13.945 1.00 0.00 H ATOM 754 HD2 ARG A 51 -7.510 -4.944 13.852 1.00 0.00 H ATOM 755 HD3 ARG A 51 -7.659 -4.442 15.552 1.00 0.00 H ATOM 756 HE ARG A 51 -5.247 -4.381 13.863 1.00 0.00 H ATOM 757 HH12 ARG A 51 -5.315 -2.575 17.546 1.00 0.00 H ATOM 758 HH11 ARG A 51 -6.873 -2.983 16.739 1.00 0.00 H ATOM 759 HH22 ARG A 51 -3.340 -3.104 16.577 1.00 0.00 H ATOM 760 HH21 ARG A 51 -3.285 -3.942 14.983 1.00 0.00 H ATOM 761 H ARG A 51 -9.999 -2.863 12.336 1.00 0.00 H ATOM 762 N ALA A 52 -7.273 0.509 11.051 1.00 17.60 N ATOM 763 CA ALA A 52 -6.668 1.080 9.825 1.00 19.80 C ATOM 764 C ALA A 52 -5.738 0.091 9.120 1.00 20.25 C ATOM 765 O ALA A 52 -5.284 -0.900 9.727 1.00 21.48 O ATOM 766 CB ALA A 52 -5.923 2.379 10.113 1.00 17.10 C ATOM 767 HA ALA A 52 -7.499 1.297 9.154 1.00 0.00 H ATOM 768 HB1 ALA A 52 -6.618 3.111 10.525 1.00 0.00 H ATOM 769 HB2 ALA A 52 -5.126 2.188 10.831 1.00 0.00 H ATOM 770 HB3 ALA A 52 -5.495 2.764 9.187 1.00 0.00 H ATOM 771 H ALA A 52 -7.166 1.014 11.954 1.00 0.00 H ATOM 772 N LEU A 53 -5.424 0.376 7.863 1.00 22.81 N ATOM 773 CA LEU A 53 -4.517 -0.478 7.057 1.00 25.37 C ATOM 774 C LEU A 53 -3.062 -0.298 7.425 1.00 26.73 C ATOM 775 O LEU A 53 -2.224 -1.203 7.152 1.00 27.06 O ATOM 776 CB LEU A 53 -4.699 -0.253 5.532 1.00 26.86 C ATOM 777 CG LEU A 53 -6.106 -0.614 5.020 1.00 26.76 C ATOM 778 CD1 LEU A 53 -6.285 -0.072 3.611 1.00 24.07 C ATOM 779 CD2 LEU A 53 -6.437 -2.154 5.185 1.00 22.39 C ATOM 780 HA LEU A 53 -4.803 -1.502 7.296 1.00 0.00 H ATOM 781 HB2 LEU A 53 -4.511 0.798 5.314 1.00 0.00 H ATOM 782 HB3 LEU A 53 -3.971 -0.868 5.003 1.00 0.00 H ATOM 783 HG LEU A 53 -6.855 -0.127 5.645 1.00 0.00 H ATOM 784 HD21 LEU A 53 -5.713 -2.742 4.621 1.00 0.00 H ATOM 785 HD22 LEU A 53 -6.384 -2.425 6.240 1.00 0.00 H ATOM 786 HD23 LEU A 53 -7.441 -2.351 4.808 1.00 0.00 H ATOM 787 HD11 LEU A 53 -6.168 1.012 3.622 1.00 0.00 H ATOM 788 HD12 LEU A 53 -5.534 -0.513 2.955 1.00 0.00 H ATOM 789 HD13 LEU A 53 -7.281 -0.327 3.249 1.00 0.00 H ATOM 790 H LEU A 53 -5.828 1.229 7.427 1.00 0.00 H ATOM 791 N SER A 54 -2.811 0.843 8.078 1.00 26.40 N ATOM 792 CA SER A 54 -1.524 1.175 8.678 1.00 28.17 C ATOM 793 C SER A 54 -1.198 0.477 9.993 1.00 27.90 C ATOM 794 O SER A 54 -0.069 0.548 10.424 1.00 28.26 O ATOM 795 CB SER A 54 -1.350 2.702 8.840 1.00 29.04 C ATOM 796 OG SER A 54 -2.296 3.312 9.732 1.00 30.93 O ATOM 797 HA SER A 54 -0.805 0.784 7.958 1.00 0.00 H ATOM 798 HB2 SER A 54 -1.458 3.164 7.859 1.00 0.00 H ATOM 799 HB3 SER A 54 -0.347 2.893 9.222 1.00 0.00 H ATOM 800 HG SER A 54 -2.120 4.285 9.782 1.00 0.00 H ATOM 801 H SER A 54 -3.582 1.536 8.163 1.00 0.00 H ATOM 802 N LYS A 55 -2.155 -0.198 10.653 1.00 27.42 N ATOM 803 CA LYS A 55 -1.809 -0.885 11.911 1.00 25.57 C ATOM 804 C LYS A 55 -0.866 -1.959 11.538 1.00 25.72 C ATOM 805 O LYS A 55 -1.028 -2.574 10.499 1.00 27.00 O ATOM 806 CB LYS A 55 -3.030 -1.470 12.677 1.00 24.15 C ATOM 807 CG LYS A 55 -4.136 -0.489 13.000 1.00 21.67 C ATOM 808 CD LYS A 55 -3.688 0.672 13.938 1.00 21.55 C ATOM 809 CE LYS A 55 -3.111 0.162 15.288 1.00 21.98 C ATOM 810 NZ LYS A 55 -2.864 1.337 16.234 1.00 20.20 N ATOM 811 HA LYS A 55 -1.378 -0.164 12.605 1.00 0.00 H ATOM 812 HB2 LYS A 55 -3.457 -2.267 12.068 1.00 0.00 H ATOM 813 HB3 LYS A 55 -2.667 -1.887 13.617 1.00 0.00 H ATOM 814 HG2 LYS A 55 -4.498 -0.058 12.067 1.00 0.00 H ATOM 815 HG3 LYS A 55 -4.947 -1.032 13.486 1.00 0.00 H ATOM 816 HD2 LYS A 55 -2.921 1.256 13.429 1.00 0.00 H ATOM 817 HD3 LYS A 55 -4.550 1.307 14.144 1.00 0.00 H ATOM 818 HE2 LYS A 55 -2.170 -0.357 15.105 1.00 0.00 H ATOM 819 HE3 LYS A 55 -3.821 -0.526 15.746 1.00 0.00 H ATOM 820 HZ1 LYS A 55 -2.185 1.994 15.799 1.00 0.00 H ATOM 821 HZ2 LYS A 55 -3.761 1.832 16.412 1.00 0.00 H ATOM 822 HZ3 LYS A 55 -2.478 0.982 17.132 1.00 0.00 H ATOM 823 H LYS A 55 -3.126 -0.235 10.282 1.00 0.00 H ATOM 824 N LYS A 56 0.090 -2.201 12.423 1.00 27.25 N ATOM 825 CA LYS A 56 1.137 -3.191 12.260 1.00 27.54 C ATOM 826 C LYS A 56 0.589 -4.619 12.448 1.00 26.66 C ATOM 827 O LYS A 56 0.937 -5.574 11.685 1.00 25.95 O ATOM 828 CB LYS A 56 2.229 -2.912 13.331 1.00 28.59 C ATOM 829 CG LYS A 56 3.577 -3.628 13.043 1.00 30.09 C ATOM 830 CD LYS A 56 4.381 -4.069 14.294 1.00 28.96 C ATOM 831 CE LYS A 56 5.747 -4.569 13.827 1.00 31.20 C ATOM 832 NZ LYS A 56 6.820 -4.354 14.882 1.00 33.73 N ATOM 833 HA LYS A 56 1.547 -3.121 11.252 1.00 0.00 H ATOM 834 HB2 LYS A 56 2.410 -1.838 13.368 1.00 0.00 H ATOM 835 HB3 LYS A 56 1.858 -3.250 14.298 1.00 0.00 H ATOM 836 HG2 LYS A 56 3.365 -4.517 12.449 1.00 0.00 H ATOM 837 HG3 LYS A 56 4.202 -2.947 12.465 1.00 0.00 H ATOM 838 HD2 LYS A 56 4.508 -3.223 14.969 1.00 0.00 H ATOM 839 HD3 LYS A 56 3.851 -4.869 14.811 1.00 0.00 H ATOM 840 HE2 LYS A 56 6.029 -4.031 12.922 1.00 0.00 H ATOM 841 HE3 LYS A 56 5.677 -5.634 13.608 1.00 0.00 H ATOM 842 HZ1 LYS A 56 6.899 -3.339 15.093 1.00 0.00 H ATOM 843 HZ2 LYS A 56 6.562 -4.870 15.747 1.00 0.00 H ATOM 844 HZ3 LYS A 56 7.731 -4.707 14.525 1.00 0.00 H ATOM 845 H LYS A 56 0.089 -1.640 13.299 1.00 0.00 H ATOM 846 N ALA A 57 -0.216 -4.791 13.493 1.00 24.10 N ATOM 847 CA ALA A 57 -0.808 -6.074 13.729 1.00 23.19 C ATOM 848 C ALA A 57 -2.335 -6.068 13.364 1.00 22.88 C ATOM 849 O ALA A 57 -3.085 -5.129 13.691 1.00 23.07 O ATOM 850 CB ALA A 57 -0.569 -6.530 15.159 1.00 24.00 C ATOM 851 HA ALA A 57 -0.323 -6.797 13.073 1.00 0.00 H ATOM 852 HB1 ALA A 57 0.503 -6.600 15.342 1.00 0.00 H ATOM 853 HB2 ALA A 57 -1.010 -5.809 15.847 1.00 0.00 H ATOM 854 HB3 ALA A 57 -1.029 -7.507 15.309 1.00 0.00 H ATOM 855 H ALA A 57 -0.415 -3.998 14.136 1.00 0.00 H ATOM 856 N TRP A 58 -2.776 -7.121 12.676 1.00 20.51 N ATOM 857 CA TRP A 58 -4.155 -7.192 12.155 1.00 18.71 C ATOM 858 C TRP A 58 -4.645 -5.952 11.444 1.00 18.35 C ATOM 859 O TRP A 58 -5.723 -5.490 11.697 1.00 21.12 O ATOM 860 CB TRP A 58 -5.164 -7.668 13.232 1.00 17.66 C ATOM 861 CG TRP A 58 -5.001 -9.076 13.607 1.00 16.40 C ATOM 862 CD1 TRP A 58 -5.662 -10.151 13.089 1.00 17.61 C ATOM 863 CD2 TRP A 58 -4.008 -9.627 14.528 1.00 19.46 C ATOM 864 NE1 TRP A 58 -5.168 -11.343 13.645 1.00 15.47 N ATOM 865 CE2 TRP A 58 -4.181 -11.047 14.542 1.00 15.39 C ATOM 866 CE3 TRP A 58 -3.018 -9.055 15.347 1.00 13.15 C ATOM 867 CZ2 TRP A 58 -3.401 -11.892 15.345 1.00 17.15 C ATOM 868 CZ3 TRP A 58 -2.229 -9.914 16.144 1.00 16.77 C ATOM 869 CH2 TRP A 58 -2.435 -11.297 16.143 1.00 16.29 C ATOM 870 HA TRP A 58 -4.100 -7.951 11.375 1.00 0.00 H ATOM 871 HB2 TRP A 58 -5.031 -7.056 14.124 1.00 0.00 H ATOM 872 HB3 TRP A 58 -6.173 -7.529 12.845 1.00 0.00 H ATOM 873 HE1 TRP A 58 -5.501 -12.300 13.411 1.00 0.00 H ATOM 874 HD1 TRP A 58 -6.460 -10.093 12.349 1.00 0.00 H ATOM 875 HZ2 TRP A 58 -3.548 -12.972 15.342 1.00 0.00 H ATOM 876 HH2 TRP A 58 -1.819 -11.925 16.787 1.00 0.00 H ATOM 877 HZ3 TRP A 58 -1.445 -9.491 16.772 1.00 0.00 H ATOM 878 HE3 TRP A 58 -2.863 -7.976 15.366 1.00 0.00 H ATOM 879 H TRP A 58 -2.129 -7.916 12.501 1.00 0.00 H ATOM 880 N PRO A 59 -3.880 -5.379 10.511 1.00 19.23 N ATOM 881 CA PRO A 59 -4.473 -4.206 9.821 1.00 17.85 C ATOM 882 C PRO A 59 -5.716 -4.535 8.994 1.00 18.52 C ATOM 883 O PRO A 59 -5.830 -5.636 8.465 1.00 19.17 O ATOM 884 CB PRO A 59 -3.361 -3.772 8.868 1.00 19.06 C ATOM 885 CG PRO A 59 -2.519 -5.073 8.641 1.00 19.85 C ATOM 886 CD PRO A 59 -2.522 -5.714 10.024 1.00 18.34 C ATOM 887 HA PRO A 59 -4.798 -3.460 10.546 1.00 0.00 H ATOM 888 HD3 PRO A 59 -2.377 -6.793 9.962 1.00 0.00 H ATOM 889 HD2 PRO A 59 -1.753 -5.282 10.664 1.00 0.00 H ATOM 890 HG3 PRO A 59 -1.505 -4.835 8.319 1.00 0.00 H ATOM 891 HG2 PRO A 59 -2.990 -5.724 7.904 1.00 0.00 H ATOM 892 HB2 PRO A 59 -3.777 -3.411 7.927 1.00 0.00 H ATOM 893 HB3 PRO A 59 -2.750 -2.989 9.318 1.00 0.00 H ATOM 894 N GLY A 60 -6.645 -3.607 8.842 1.00 19.24 N ATOM 895 CA GLY A 60 -7.840 -3.873 8.013 1.00 20.10 C ATOM 896 C GLY A 60 -8.832 -4.858 8.616 1.00 21.28 C ATOM 897 O GLY A 60 -9.737 -5.346 7.924 1.00 22.01 O ATOM 898 HA3 GLY A 60 -7.506 -4.272 7.055 1.00 0.00 H ATOM 899 HA2 GLY A 60 -8.357 -2.927 7.851 1.00 0.00 H ATOM 900 H GLY A 60 -6.535 -2.684 9.308 1.00 0.00 H ATOM 901 N VAL A 61 -8.679 -5.154 9.912 1.00 21.28 N ATOM 902 CA VAL A 61 -9.464 -6.209 10.585 1.00 19.70 C ATOM 903 C VAL A 61 -10.590 -5.687 11.465 1.00 20.05 C ATOM 904 O VAL A 61 -10.408 -4.702 12.216 1.00 22.56 O ATOM 905 CB VAL A 61 -8.553 -7.227 11.306 1.00 19.78 C ATOM 906 CG1 VAL A 61 -9.424 -8.299 12.176 1.00 17.23 C ATOM 907 CG2 VAL A 61 -7.604 -7.918 10.251 1.00 17.26 C ATOM 908 HA VAL A 61 -9.979 -6.747 9.789 1.00 0.00 H ATOM 909 HB VAL A 61 -7.926 -6.704 12.029 1.00 0.00 H ATOM 910 HG11 VAL A 61 -10.008 -7.767 12.926 1.00 0.00 H ATOM 911 HG12 VAL A 61 -10.094 -8.845 11.512 1.00 0.00 H ATOM 912 HG13 VAL A 61 -8.749 -8.999 12.669 1.00 0.00 H ATOM 913 HG21 VAL A 61 -8.208 -8.433 9.504 1.00 0.00 H ATOM 914 HG22 VAL A 61 -6.991 -7.160 9.764 1.00 0.00 H ATOM 915 HG23 VAL A 61 -6.961 -8.637 10.759 1.00 0.00 H ATOM 916 H VAL A 61 -7.980 -4.620 10.467 1.00 0.00 H ATOM 917 N TRP A 62 -11.761 -6.302 11.351 1.00 19.24 N ATOM 918 CA TRP A 62 -12.894 -5.978 12.230 1.00 20.35 C ATOM 919 C TRP A 62 -12.694 -6.495 13.651 1.00 20.11 C ATOM 920 O TRP A 62 -12.322 -7.638 13.887 1.00 19.36 O ATOM 921 CB TRP A 62 -14.254 -6.532 11.681 1.00 18.31 C ATOM 922 CG TRP A 62 -14.795 -5.712 10.474 1.00 17.59 C ATOM 923 CD1 TRP A 62 -14.664 -6.039 9.148 1.00 18.30 C ATOM 924 CD2 TRP A 62 -15.485 -4.418 10.499 1.00 13.68 C ATOM 925 NE1 TRP A 62 -15.241 -5.065 8.358 1.00 17.66 N ATOM 926 CE2 TRP A 62 -15.770 -4.074 9.168 1.00 17.80 C ATOM 927 CE3 TRP A 62 -15.900 -3.550 11.516 1.00 15.81 C ATOM 928 CZ2 TRP A 62 -16.490 -2.906 8.829 1.00 15.79 C ATOM 929 CZ3 TRP A 62 -16.584 -2.413 11.172 1.00 19.39 C ATOM 930 CH2 TRP A 62 -16.876 -2.097 9.843 1.00 17.94 C ATOM 931 HA TRP A 62 -12.935 -4.889 12.250 1.00 0.00 H ATOM 932 HB2 TRP A 62 -14.107 -7.564 11.364 1.00 0.00 H ATOM 933 HB3 TRP A 62 -14.992 -6.501 12.482 1.00 0.00 H ATOM 934 HE1 TRP A 62 -15.273 -5.074 7.319 1.00 0.00 H ATOM 935 HD1 TRP A 62 -14.175 -6.938 8.773 1.00 0.00 H ATOM 936 HZ2 TRP A 62 -16.725 -2.666 7.792 1.00 0.00 H ATOM 937 HH2 TRP A 62 -17.425 -1.182 9.619 1.00 0.00 H ATOM 938 HZ3 TRP A 62 -16.910 -1.734 11.960 1.00 0.00 H ATOM 939 HE3 TRP A 62 -15.684 -3.774 12.561 1.00 0.00 H ATOM 940 H TRP A 62 -11.880 -7.032 10.620 1.00 0.00 H ATOM 941 N THR A 63 -13.108 -5.663 14.584 1.00 20.96 N ATOM 942 CA THR A 63 -12.758 -5.846 15.982 1.00 20.75 C ATOM 943 C THR A 63 -13.709 -5.078 16.959 1.00 20.59 C ATOM 944 O THR A 63 -14.599 -4.326 16.543 1.00 19.62 O ATOM 945 CB THR A 63 -11.268 -5.446 16.162 1.00 19.85 C ATOM 946 OG1 THR A 63 -10.783 -5.937 17.392 1.00 18.66 O ATOM 947 CG2 THR A 63 -11.090 -3.927 16.078 1.00 19.69 C ATOM 948 HA THR A 63 -12.891 -6.895 16.248 1.00 0.00 H ATOM 949 HB THR A 63 -10.691 -5.892 15.352 1.00 0.00 H ATOM 950 HG1 THR A 63 -10.860 -6.924 17.406 1.00 0.00 H ATOM 951 HG23 THR A 63 -11.471 -3.570 15.121 1.00 0.00 H ATOM 952 HG21 THR A 63 -11.641 -3.452 16.890 1.00 0.00 H ATOM 953 HG22 THR A 63 -10.032 -3.681 16.164 1.00 0.00 H ATOM 954 H THR A 63 -13.701 -4.853 14.313 1.00 0.00 H ATOM 955 N ASN A 64 -13.541 -5.319 18.267 1.00 20.73 N ATOM 956 CA ASN A 64 -14.328 -4.608 19.286 1.00 20.58 C ATOM 957 C ASN A 64 -13.868 -3.155 19.334 1.00 19.15 C ATOM 958 O ASN A 64 -13.035 -2.740 18.562 1.00 21.45 O ATOM 959 CB ASN A 64 -14.295 -5.349 20.620 1.00 19.75 C ATOM 960 CG ASN A 64 -12.920 -5.423 21.154 1.00 21.39 C ATOM 961 OD1 ASN A 64 -12.421 -4.503 21.842 1.00 20.57 O ATOM 962 ND2 ASN A 64 -12.251 -6.437 20.759 1.00 19.65 N ATOM 963 HA ASN A 64 -15.386 -4.588 19.024 1.00 0.00 H ATOM 964 HB2 ASN A 64 -14.927 -4.823 21.335 1.00 0.00 H ATOM 965 HB3 ASN A 64 -14.676 -6.360 20.475 1.00 0.00 H ATOM 966 HD22 ASN A 64 -12.712 -7.175 20.189 1.00 0.00 H ATOM 967 HD21 ASN A 64 -11.245 -6.525 21.007 1.00 0.00 H ATOM 968 H ASN A 64 -12.839 -6.024 18.568 1.00 0.00 H ATOM 969 N SER A 65 -14.473 -2.334 20.148 1.00 20.47 N ATOM 970 CA SER A 65 -14.446 -0.885 19.923 1.00 19.89 C ATOM 971 C SER A 65 -13.059 -0.277 20.001 1.00 21.50 C ATOM 972 O SER A 65 -12.560 0.388 19.051 1.00 21.80 O ATOM 973 CB SER A 65 -15.324 -0.240 20.959 1.00 20.34 C ATOM 974 OG SER A 65 -16.586 -0.848 20.996 1.00 19.48 O ATOM 975 HA SER A 65 -14.801 -0.706 18.908 1.00 0.00 H ATOM 976 HB2 SER A 65 -15.444 0.816 20.718 1.00 0.00 H ATOM 977 HB3 SER A 65 -14.852 -0.337 21.937 1.00 0.00 H ATOM 978 HG SER A 65 -17.020 -0.759 20.111 1.00 0.00 H ATOM 979 H SER A 65 -14.983 -2.714 20.971 1.00 0.00 H ATOM 980 N VAL A 66 -12.432 -0.473 21.150 1.00 20.86 N ATOM 981 CA VAL A 66 -11.109 0.092 21.408 1.00 20.79 C ATOM 982 C VAL A 66 -10.270 -0.775 22.306 1.00 20.94 C ATOM 983 O VAL A 66 -10.731 -1.212 23.389 1.00 21.19 O ATOM 984 CB VAL A 66 -11.026 1.654 21.743 1.00 21.75 C ATOM 985 CG1 VAL A 66 -12.318 2.447 21.625 1.00 23.60 C ATOM 986 CG2 VAL A 66 -10.210 2.019 22.871 1.00 20.93 C ATOM 987 HA VAL A 66 -10.646 0.071 20.421 1.00 0.00 H ATOM 988 HB VAL A 66 -10.449 2.001 20.886 1.00 0.00 H ATOM 989 HG11 VAL A 66 -12.691 2.382 20.603 1.00 0.00 H ATOM 990 HG12 VAL A 66 -13.059 2.035 22.310 1.00 0.00 H ATOM 991 HG13 VAL A 66 -12.127 3.490 21.878 1.00 0.00 H ATOM 992 HG21 VAL A 66 -10.598 1.538 23.769 1.00 0.00 H ATOM 993 HG22 VAL A 66 -9.185 1.693 22.697 1.00 0.00 H ATOM 994 HG23 VAL A 66 -10.232 3.101 22.999 1.00 0.00 H ATOM 995 H VAL A 66 -12.892 -1.043 21.888 1.00 0.00 H ATOM 996 N CYS A 67 -9.058 -1.025 21.801 1.00 19.08 N ATOM 997 CA CYS A 67 -8.039 -1.820 22.466 1.00 20.81 C ATOM 998 C CYS A 67 -6.757 -1.043 22.420 1.00 18.87 C ATOM 999 O CYS A 67 -6.573 -0.134 21.557 1.00 18.64 O ATOM 1000 CB CYS A 67 -7.833 -3.163 21.751 1.00 21.26 C ATOM 1001 SG CYS A 67 -9.308 -4.180 21.600 1.00 29.35 S ATOM 1002 HA CYS A 67 -8.348 -2.025 23.491 1.00 0.00 H ATOM 1003 HB2 CYS A 67 -7.086 -3.731 22.306 1.00 0.00 H ATOM 1004 HB3 CYS A 67 -7.459 -2.958 20.748 1.00 0.00 H ATOM 1005 HG CYS A 67 -9.794 -4.472 22.858 1.00 0.00 H ATOM 1006 H CYS A 67 -8.829 -0.624 20.869 1.00 0.00 H ATOM 1007 N GLY A 68 -5.851 -1.415 23.320 1.00 17.67 N ATOM 1008 CA GLY A 68 -4.590 -0.694 23.504 1.00 15.54 C ATOM 1009 C GLY A 68 -3.749 -1.287 24.618 1.00 16.20 C ATOM 1010 O GLY A 68 -3.949 -2.444 25.051 1.00 15.64 O ATOM 1011 HA3 GLY A 68 -4.812 0.345 23.746 1.00 0.00 H ATOM 1012 HA2 GLY A 68 -4.022 -0.736 22.575 1.00 0.00 H ATOM 1013 H GLY A 68 -6.045 -2.247 23.913 1.00 0.00 H ATOM 1014 N HIS A 69 -2.780 -0.493 25.062 1.00 17.34 N ATOM 1015 CA HIS A 69 -1.622 -0.992 25.843 1.00 18.04 C ATOM 1016 C HIS A 69 -1.444 0.058 26.955 1.00 19.32 C ATOM 1017 O HIS A 69 -1.127 1.213 26.646 1.00 19.89 O ATOM 1018 CB HIS A 69 -0.346 -1.062 24.946 1.00 17.96 C ATOM 1019 CG HIS A 69 -0.337 -2.181 23.932 1.00 17.38 C ATOM 1020 ND1 HIS A 69 -0.510 -1.967 22.571 1.00 17.46 N ATOM 1021 CD2 HIS A 69 -0.162 -3.520 24.084 1.00 15.51 C ATOM 1022 CE1 HIS A 69 -0.461 -3.132 21.939 1.00 19.50 C ATOM 1023 NE2 HIS A 69 -0.196 -4.083 22.832 1.00 16.31 N ATOM 1024 HA HIS A 69 -1.779 -1.997 26.234 1.00 0.00 H ATOM 1025 HB2 HIS A 69 -0.259 -0.118 24.408 1.00 0.00 H ATOM 1026 HB3 HIS A 69 0.519 -1.189 25.597 1.00 0.00 H ATOM 1027 HD2 HIS A 69 -0.021 -4.050 25.026 1.00 0.00 H ATOM 1028 HE1 HIS A 69 -0.612 -3.285 20.870 1.00 0.00 H ATOM 1029 H HIS A 69 -2.836 0.524 24.852 1.00 0.00 H ATOM 1030 N PRO A 70 -1.689 -0.298 28.235 1.00 19.26 N ATOM 1031 CA PRO A 70 -1.471 0.701 29.296 1.00 20.65 C ATOM 1032 C PRO A 70 0.014 1.004 29.463 1.00 21.62 C ATOM 1033 O PRO A 70 0.876 0.091 29.232 1.00 20.98 O ATOM 1034 CB PRO A 70 -1.990 -0.019 30.582 1.00 21.55 C ATOM 1035 CG PRO A 70 -2.849 -1.127 30.071 1.00 19.41 C ATOM 1036 CD PRO A 70 -2.185 -1.562 28.794 1.00 19.67 C ATOM 1037 HA PRO A 70 -1.968 1.647 29.082 1.00 0.00 H ATOM 1038 HD3 PRO A 70 -1.365 -2.252 28.993 1.00 0.00 H ATOM 1039 HD2 PRO A 70 -2.900 -2.035 28.121 1.00 0.00 H ATOM 1040 HG3 PRO A 70 -3.861 -0.772 29.877 1.00 0.00 H ATOM 1041 HG2 PRO A 70 -2.884 -1.949 30.786 1.00 0.00 H ATOM 1042 HB2 PRO A 70 -1.158 -0.414 31.165 1.00 0.00 H ATOM 1043 HB3 PRO A 70 -2.571 0.666 31.199 1.00 0.00 H ATOM 1044 N GLN A 71 0.320 2.253 29.834 1.00 22.20 N ATOM 1045 CA GLN A 71 1.739 2.732 29.996 1.00 24.08 C ATOM 1046 C GLN A 71 2.184 2.690 31.478 1.00 24.90 C ATOM 1047 O GLN A 71 1.349 2.526 32.339 1.00 25.78 O ATOM 1048 CB GLN A 71 1.842 4.190 29.495 1.00 24.58 C ATOM 1049 CG GLN A 71 1.471 4.354 27.983 1.00 25.93 C ATOM 1050 CD GLN A 71 2.284 3.423 27.060 1.00 29.57 C ATOM 1051 OE1 GLN A 71 3.405 3.758 26.620 1.00 26.61 O ATOM 1052 NE2 GLN A 71 1.716 2.232 26.776 1.00 26.18 N ATOM 1053 HA GLN A 71 2.386 2.073 29.417 1.00 0.00 H ATOM 1054 HB2 GLN A 71 1.166 4.808 30.086 1.00 0.00 H ATOM 1055 HB3 GLN A 71 2.866 4.534 29.639 1.00 0.00 H ATOM 1056 HG2 GLN A 71 0.412 4.129 27.858 1.00 0.00 H ATOM 1057 HG3 GLN A 71 1.659 5.387 27.689 1.00 0.00 H ATOM 1058 HE22 GLN A 71 0.781 1.996 27.165 1.00 0.00 H ATOM 1059 HE21 GLN A 71 2.214 1.550 26.168 1.00 0.00 H ATOM 1060 H GLN A 71 -0.455 2.921 30.018 1.00 0.00 H ATOM 1061 N LEU A 72 3.465 2.836 31.804 1.00 25.73 N ATOM 1062 CA LEU A 72 3.845 2.878 33.243 1.00 27.28 C ATOM 1063 C LEU A 72 3.002 3.898 34.041 1.00 27.17 C ATOM 1064 O LEU A 72 2.823 5.019 33.583 1.00 28.14 O ATOM 1065 CB LEU A 72 5.327 3.277 33.396 1.00 26.55 C ATOM 1066 CG LEU A 72 6.506 2.288 33.221 1.00 28.95 C ATOM 1067 CD1 LEU A 72 6.267 0.816 33.674 1.00 26.88 C ATOM 1068 CD2 LEU A 72 6.995 2.299 31.815 1.00 30.94 C ATOM 1069 HA LEU A 72 3.665 1.878 33.637 1.00 0.00 H ATOM 1070 HB2 LEU A 72 5.497 4.073 32.671 1.00 0.00 H ATOM 1071 HB3 LEU A 72 5.424 3.679 34.404 1.00 0.00 H ATOM 1072 HG LEU A 72 7.256 2.670 33.913 1.00 0.00 H ATOM 1073 HD21 LEU A 72 6.185 2.005 31.148 1.00 0.00 H ATOM 1074 HD22 LEU A 72 7.334 3.302 31.557 1.00 0.00 H ATOM 1075 HD23 LEU A 72 7.823 1.597 31.714 1.00 0.00 H ATOM 1076 HD11 LEU A 72 6.024 0.799 34.737 1.00 0.00 H ATOM 1077 HD12 LEU A 72 5.440 0.392 33.104 1.00 0.00 H ATOM 1078 HD13 LEU A 72 7.170 0.232 33.497 1.00 0.00 H ATOM 1079 H LEU A 72 4.191 2.920 31.064 1.00 0.00 H ATOM 1080 N GLY A 73 2.479 3.523 35.205 1.00 26.75 N ATOM 1081 CA GLY A 73 1.878 4.501 36.080 1.00 26.29 C ATOM 1082 C GLY A 73 0.431 4.805 35.760 1.00 27.50 C ATOM 1083 O GLY A 73 -0.246 5.524 36.523 1.00 27.10 O ATOM 1084 HA3 GLY A 73 2.448 5.427 36.003 1.00 0.00 H ATOM 1085 HA2 GLY A 73 1.932 4.126 37.102 1.00 0.00 H ATOM 1086 H GLY A 73 2.503 2.522 35.486 1.00 0.00 H ATOM 1087 N GLU A 74 -0.062 4.217 34.663 1.00 26.65 N ATOM 1088 CA GLU A 74 -1.489 4.347 34.241 1.00 25.93 C ATOM 1089 C GLU A 74 -2.354 3.142 34.671 1.00 24.05 C ATOM 1090 O GLU A 74 -1.942 2.011 34.523 1.00 24.27 O ATOM 1091 CB GLU A 74 -1.482 4.498 32.705 1.00 26.26 C ATOM 1092 CG GLU A 74 -2.777 4.941 32.069 1.00 25.02 C ATOM 1093 CD GLU A 74 -2.619 5.093 30.547 1.00 26.06 C ATOM 1094 OE1 GLU A 74 -1.862 4.278 29.934 1.00 25.81 O ATOM 1095 OE2 GLU A 74 -3.259 6.026 29.955 1.00 28.12 O ATOM 1096 HA GLU A 74 -1.938 5.212 34.729 1.00 0.00 H ATOM 1097 HB2 GLU A 74 -0.718 5.231 32.447 1.00 0.00 H ATOM 1098 HB3 GLU A 74 -1.216 3.531 32.278 1.00 0.00 H ATOM 1099 HG2 GLU A 74 -3.548 4.199 32.275 1.00 0.00 H ATOM 1100 HG3 GLU A 74 -3.074 5.900 32.494 1.00 0.00 H ATOM 1101 H GLU A 74 0.578 3.643 34.078 1.00 0.00 H ATOM 1102 N SER A 75 -3.531 3.372 35.246 1.00 22.45 N ATOM 1103 CA SER A 75 -4.466 2.297 35.477 1.00 21.14 C ATOM 1104 C SER A 75 -5.032 1.799 34.124 1.00 21.45 C ATOM 1105 O SER A 75 -5.039 2.550 33.129 1.00 21.80 O ATOM 1106 CB SER A 75 -5.615 2.794 36.395 1.00 19.00 C ATOM 1107 OG SER A 75 -6.386 3.728 35.684 1.00 20.99 O ATOM 1108 HA SER A 75 -3.956 1.469 35.970 1.00 0.00 H ATOM 1109 HB2 SER A 75 -5.197 3.264 37.285 1.00 0.00 H ATOM 1110 HB3 SER A 75 -6.240 1.951 36.691 1.00 0.00 H ATOM 1111 HG SER A 75 -6.762 3.297 34.876 1.00 0.00 H ATOM 1112 H SER A 75 -3.781 4.340 35.533 1.00 0.00 H ATOM 1113 N ASN A 76 -5.584 0.589 34.104 1.00 21.40 N ATOM 1114 CA ASN A 76 -6.213 0.033 32.919 1.00 21.52 C ATOM 1115 C ASN A 76 -7.319 0.951 32.430 1.00 22.44 C ATOM 1116 O ASN A 76 -7.482 1.209 31.215 1.00 22.78 O ATOM 1117 CB ASN A 76 -6.778 -1.343 33.260 1.00 22.66 C ATOM 1118 CG ASN A 76 -5.686 -2.401 33.485 1.00 23.51 C ATOM 1119 OD1 ASN A 76 -5.808 -3.303 34.318 1.00 23.68 O ATOM 1120 ND2 ASN A 76 -4.638 -2.283 32.764 1.00 23.51 N ATOM 1121 HA ASN A 76 -5.474 -0.062 32.123 1.00 0.00 H ATOM 1122 HB2 ASN A 76 -7.373 -1.259 34.169 1.00 0.00 H ATOM 1123 HB3 ASN A 76 -7.416 -1.670 32.439 1.00 0.00 H ATOM 1124 HD22 ASN A 76 -4.568 -1.511 32.071 1.00 0.00 H ATOM 1125 HD21 ASN A 76 -3.855 -2.959 32.870 1.00 0.00 H ATOM 1126 H ASN A 76 -5.564 0.018 34.973 1.00 0.00 H ATOM 1127 N GLU A 77 -8.065 1.493 33.394 1.00 21.81 N ATOM 1128 CA GLU A 77 -9.292 2.227 33.111 1.00 21.29 C ATOM 1129 C GLU A 77 -8.937 3.595 32.468 1.00 20.83 C ATOM 1130 O GLU A 77 -9.680 4.097 31.604 1.00 19.21 O ATOM 1131 CB GLU A 77 -10.186 2.385 34.384 1.00 21.64 C ATOM 1132 CG GLU A 77 -10.829 1.061 34.889 1.00 22.59 C ATOM 1133 CD GLU A 77 -9.927 0.257 35.877 1.00 27.62 C ATOM 1134 OE1 GLU A 77 -8.750 0.559 36.028 1.00 22.30 O ATOM 1135 OE2 GLU A 77 -10.383 -0.712 36.494 1.00 32.23 O ATOM 1136 HA GLU A 77 -9.888 1.655 32.400 1.00 0.00 H ATOM 1137 HB2 GLU A 77 -9.569 2.792 35.185 1.00 0.00 H ATOM 1138 HB3 GLU A 77 -10.988 3.087 34.153 1.00 0.00 H ATOM 1139 HG2 GLU A 77 -11.763 1.304 35.396 1.00 0.00 H ATOM 1140 HG3 GLU A 77 -11.040 0.430 34.025 1.00 0.00 H ATOM 1141 H GLU A 77 -7.760 1.388 34.383 1.00 0.00 H ATOM 1142 N ASP A 78 -7.798 4.160 32.878 1.00 19.64 N ATOM 1143 CA ASP A 78 -7.335 5.389 32.283 1.00 20.64 C ATOM 1144 C ASP A 78 -6.764 5.119 30.915 1.00 19.45 C ATOM 1145 O ASP A 78 -6.829 5.948 30.053 1.00 22.37 O ATOM 1146 CB ASP A 78 -6.292 6.104 33.167 1.00 21.75 C ATOM 1147 CG ASP A 78 -6.957 6.869 34.359 1.00 26.43 C ATOM 1148 OD1 ASP A 78 -8.183 7.051 34.407 1.00 27.04 O ATOM 1149 OD2 ASP A 78 -6.237 7.257 35.285 1.00 34.03 O ATOM 1150 HA ASP A 78 -8.194 6.054 32.192 1.00 0.00 H ATOM 1151 HB2 ASP A 78 -5.601 5.362 33.567 1.00 0.00 H ATOM 1152 HB3 ASP A 78 -5.741 6.818 32.554 1.00 0.00 H ATOM 1153 H ASP A 78 -7.241 3.710 33.632 1.00 0.00 H ATOM 1154 N ALA A 79 -6.208 3.945 30.707 1.00 18.09 N ATOM 1155 CA ALA A 79 -5.768 3.543 29.391 1.00 17.59 C ATOM 1156 C ALA A 79 -6.980 3.492 28.435 1.00 17.04 C ATOM 1157 O ALA A 79 -6.923 4.107 27.373 1.00 18.32 O ATOM 1158 CB ALA A 79 -5.011 2.175 29.465 1.00 16.42 C ATOM 1159 HA ALA A 79 -5.063 4.275 28.996 1.00 0.00 H ATOM 1160 HB1 ALA A 79 -4.142 2.277 30.115 1.00 0.00 H ATOM 1161 HB2 ALA A 79 -5.679 1.413 29.866 1.00 0.00 H ATOM 1162 HB3 ALA A 79 -4.686 1.886 28.465 1.00 0.00 H ATOM 1163 H ALA A 79 -6.083 3.292 31.507 1.00 0.00 H ATOM 1164 N VAL A 80 -8.075 2.846 28.853 1.00 16.83 N ATOM 1165 CA VAL A 80 -9.357 2.823 28.082 1.00 16.64 C ATOM 1166 C VAL A 80 -9.793 4.250 27.672 1.00 18.86 C ATOM 1167 O VAL A 80 -9.961 4.503 26.494 1.00 20.68 O ATOM 1168 CB VAL A 80 -10.484 2.126 28.818 1.00 14.65 C ATOM 1169 CG1 VAL A 80 -11.719 2.157 27.986 1.00 14.43 C ATOM 1170 CG2 VAL A 80 -10.141 0.622 29.111 1.00 13.20 C ATOM 1171 HA VAL A 80 -9.152 2.240 27.184 1.00 0.00 H ATOM 1172 HB VAL A 80 -10.630 2.651 29.762 1.00 0.00 H ATOM 1173 HG11 VAL A 80 -11.999 3.192 27.791 1.00 0.00 H ATOM 1174 HG12 VAL A 80 -11.532 1.646 27.041 1.00 0.00 H ATOM 1175 HG13 VAL A 80 -12.527 1.655 28.518 1.00 0.00 H ATOM 1176 HG21 VAL A 80 -9.970 0.100 28.170 1.00 0.00 H ATOM 1177 HG22 VAL A 80 -9.243 0.569 29.726 1.00 0.00 H ATOM 1178 HG23 VAL A 80 -10.973 0.157 29.640 1.00 0.00 H ATOM 1179 H VAL A 80 -8.033 2.335 29.758 1.00 0.00 H ATOM 1180 N ILE A 81 -9.985 5.154 28.647 1.00 19.06 N ATOM 1181 CA ILE A 81 -10.321 6.541 28.432 1.00 19.30 C ATOM 1182 C ILE A 81 -9.411 7.236 27.414 1.00 20.25 C ATOM 1183 O ILE A 81 -9.901 7.885 26.491 1.00 19.71 O ATOM 1184 CB ILE A 81 -10.346 7.316 29.846 1.00 20.48 C ATOM 1185 CG1 ILE A 81 -11.494 6.785 30.730 1.00 20.96 C ATOM 1186 CG2 ILE A 81 -10.323 8.836 29.697 1.00 20.98 C ATOM 1187 CD1 ILE A 81 -11.371 6.995 32.296 1.00 18.99 C ATOM 1188 HA ILE A 81 -11.316 6.574 27.989 1.00 0.00 H ATOM 1189 HB ILE A 81 -9.416 7.094 30.369 1.00 0.00 H ATOM 1190 HG12 ILE A 81 -12.411 7.278 30.406 1.00 0.00 H ATOM 1191 HG13 ILE A 81 -11.576 5.713 30.550 1.00 0.00 H ATOM 1192 HD11 ILE A 81 -10.473 6.495 32.659 1.00 0.00 H ATOM 1193 HD12 ILE A 81 -11.308 8.061 32.515 1.00 0.00 H ATOM 1194 HD13 ILE A 81 -12.247 6.573 32.788 1.00 0.00 H ATOM 1195 HG21 ILE A 81 -9.416 9.135 29.172 1.00 0.00 H ATOM 1196 HG22 ILE A 81 -11.196 9.157 29.128 1.00 0.00 H ATOM 1197 HG23 ILE A 81 -10.341 9.297 30.685 1.00 0.00 H ATOM 1198 H ILE A 81 -9.884 4.830 29.630 1.00 0.00 H ATOM 1199 N ARG A 82 -8.082 7.116 27.577 1.00 21.27 N ATOM 1200 CA ARG A 82 -7.116 7.831 26.733 1.00 22.08 C ATOM 1201 C ARG A 82 -7.248 7.348 25.291 1.00 22.50 C ATOM 1202 O ARG A 82 -7.278 8.183 24.369 1.00 21.93 O ATOM 1203 CB ARG A 82 -5.678 7.642 27.276 1.00 23.09 C ATOM 1204 CG ARG A 82 -4.512 7.944 26.285 1.00 22.75 C ATOM 1205 CD ARG A 82 -3.104 7.790 26.950 1.00 23.83 C ATOM 1206 NE ARG A 82 -2.899 6.372 27.365 1.00 22.85 N ATOM 1207 CZ ARG A 82 -2.452 5.411 26.564 1.00 24.85 C ATOM 1208 NH1 ARG A 82 -2.312 4.183 27.028 1.00 25.07 N ATOM 1209 NH2 ARG A 82 -2.123 5.679 25.305 1.00 22.14 N ATOM 1210 HA ARG A 82 -7.329 8.900 26.755 1.00 0.00 H ATOM 1211 HB2 ARG A 82 -5.560 8.301 28.137 1.00 0.00 H ATOM 1212 HB3 ARG A 82 -5.579 6.605 27.597 1.00 0.00 H ATOM 1213 HG2 ARG A 82 -4.579 7.253 25.445 1.00 0.00 H ATOM 1214 HG3 ARG A 82 -4.617 8.966 25.922 1.00 0.00 H ATOM 1215 HD2 ARG A 82 -3.043 8.437 27.825 1.00 0.00 H ATOM 1216 HD3 ARG A 82 -2.332 8.074 26.235 1.00 0.00 H ATOM 1217 HE ARG A 82 -3.121 6.118 28.349 1.00 0.00 H ATOM 1218 HH12 ARG A 82 -1.962 3.428 26.404 1.00 0.00 H ATOM 1219 HH11 ARG A 82 -2.551 3.971 28.018 1.00 0.00 H ATOM 1220 HH22 ARG A 82 -1.774 4.920 24.686 1.00 0.00 H ATOM 1221 HH21 ARG A 82 -2.214 6.648 24.939 1.00 0.00 H ATOM 1222 H ARG A 82 -7.724 6.493 28.329 1.00 0.00 H ATOM 1223 N ARG A 83 -7.357 6.020 25.096 1.00 21.67 N ATOM 1224 CA ARG A 83 -7.457 5.477 23.712 1.00 21.35 C ATOM 1225 C ARG A 83 -8.802 5.804 23.011 1.00 20.71 C ATOM 1226 O ARG A 83 -8.813 6.019 21.805 1.00 21.11 O ATOM 1227 CB ARG A 83 -7.087 3.970 23.596 1.00 20.73 C ATOM 1228 CG ARG A 83 -5.598 3.627 23.867 1.00 21.67 C ATOM 1229 CD ARG A 83 -4.625 4.543 23.066 1.00 22.48 C ATOM 1230 NE ARG A 83 -4.466 4.046 21.687 1.00 24.54 N ATOM 1231 CZ ARG A 83 -3.447 4.355 20.877 1.00 22.99 C ATOM 1232 NH1 ARG A 83 -2.518 5.148 21.305 1.00 25.68 N ATOM 1233 NH2 ARG A 83 -3.370 3.885 19.654 1.00 19.31 N ATOM 1234 HA ARG A 83 -6.687 6.016 23.160 1.00 0.00 H ATOM 1235 HB2 ARG A 83 -7.695 3.418 24.313 1.00 0.00 H ATOM 1236 HB3 ARG A 83 -7.330 3.641 22.586 1.00 0.00 H ATOM 1237 HG2 ARG A 83 -5.398 3.749 24.932 1.00 0.00 H ATOM 1238 HG3 ARG A 83 -5.419 2.590 23.581 1.00 0.00 H ATOM 1239 HD2 ARG A 83 -3.653 4.552 23.559 1.00 0.00 H ATOM 1240 HD3 ARG A 83 -5.026 5.556 23.039 1.00 0.00 H ATOM 1241 HE ARG A 83 -5.200 3.409 21.317 1.00 0.00 H ATOM 1242 HH12 ARG A 83 -1.720 5.396 20.686 1.00 0.00 H ATOM 1243 HH11 ARG A 83 -2.569 5.537 22.268 1.00 0.00 H ATOM 1244 HH22 ARG A 83 -2.566 4.143 19.047 1.00 0.00 H ATOM 1245 HH21 ARG A 83 -4.113 3.255 19.291 1.00 0.00 H ATOM 1246 H ARG A 83 -7.371 5.374 25.911 1.00 0.00 H ATOM 1247 N CYS A 84 -9.903 5.805 23.753 1.00 19.11 N ATOM 1248 CA CYS A 84 -11.195 6.256 23.268 1.00 20.14 C ATOM 1249 C CYS A 84 -11.115 7.700 22.742 1.00 20.69 C ATOM 1250 O CYS A 84 -11.680 7.996 21.699 1.00 21.70 O ATOM 1251 CB CYS A 84 -12.284 6.122 24.381 1.00 18.23 C ATOM 1252 SG CYS A 84 -12.658 4.361 24.624 1.00 21.56 S ATOM 1253 HA CYS A 84 -11.485 5.615 22.435 1.00 0.00 H ATOM 1254 HB2 CYS A 84 -13.187 6.650 24.076 1.00 0.00 H ATOM 1255 HB3 CYS A 84 -11.912 6.550 25.312 1.00 0.00 H ATOM 1256 HG CYS A 84 -11.511 3.698 25.009 1.00 0.00 H ATOM 1257 H CYS A 84 -9.836 5.465 24.733 1.00 0.00 H ATOM 1258 N ARG A 85 -10.402 8.577 23.433 1.00 20.75 N ATOM 1259 CA ARG A 85 -10.284 9.956 23.009 1.00 22.78 C ATOM 1260 C ARG A 85 -9.349 10.055 21.819 1.00 23.11 C ATOM 1261 O ARG A 85 -9.647 10.741 20.796 1.00 22.28 O ATOM 1262 CB ARG A 85 -9.757 10.840 24.149 1.00 21.44 C ATOM 1263 CG ARG A 85 -10.794 11.118 25.159 1.00 22.76 C ATOM 1264 CD ARG A 85 -10.117 11.734 26.387 1.00 27.47 C ATOM 1265 NE ARG A 85 -11.118 12.258 27.284 1.00 27.60 N ATOM 1266 CZ ARG A 85 -10.912 12.514 28.584 1.00 30.22 C ATOM 1267 NH1 ARG A 85 -9.718 12.290 29.098 1.00 20.14 N ATOM 1268 NH2 ARG A 85 -11.914 12.995 29.346 1.00 25.72 N ATOM 1269 HA ARG A 85 -11.276 10.308 22.726 1.00 0.00 H ATOM 1270 HB2 ARG A 85 -8.923 10.331 24.632 1.00 0.00 H ATOM 1271 HB3 ARG A 85 -9.411 11.785 23.730 1.00 0.00 H ATOM 1272 HG2 ARG A 85 -11.527 11.815 24.753 1.00 0.00 H ATOM 1273 HG3 ARG A 85 -11.294 10.191 25.440 1.00 0.00 H ATOM 1274 HD2 ARG A 85 -9.456 12.541 26.070 1.00 0.00 H ATOM 1275 HD3 ARG A 85 -9.534 10.970 26.901 1.00 0.00 H ATOM 1276 HE ARG A 85 -12.064 12.450 26.896 1.00 0.00 H ATOM 1277 HH12 ARG A 85 -9.541 12.483 30.104 1.00 0.00 H ATOM 1278 HH11 ARG A 85 -8.954 11.920 28.497 1.00 0.00 H ATOM 1279 HH22 ARG A 85 -11.752 13.193 30.354 1.00 0.00 H ATOM 1280 HH21 ARG A 85 -12.849 13.168 28.926 1.00 0.00 H ATOM 1281 H ARG A 85 -9.916 8.268 24.299 1.00 0.00 H ATOM 1282 N TYR A 86 -8.236 9.326 21.958 1.00 23.55 N ATOM 1283 CA TYR A 86 -7.267 9.270 20.931 1.00 23.07 C ATOM 1284 C TYR A 86 -7.806 8.592 19.642 1.00 22.17 C ATOM 1285 O TYR A 86 -7.660 9.110 18.558 1.00 20.93 O ATOM 1286 CB TYR A 86 -5.987 8.586 21.426 1.00 25.91 C ATOM 1287 CG TYR A 86 -4.917 8.672 20.339 1.00 26.33 C ATOM 1288 CD1 TYR A 86 -4.347 9.884 20.024 1.00 29.55 C ATOM 1289 CD2 TYR A 86 -4.602 7.577 19.571 1.00 26.71 C ATOM 1290 CE1 TYR A 86 -3.465 9.974 19.029 1.00 31.61 C ATOM 1291 CE2 TYR A 86 -3.726 7.663 18.562 1.00 26.89 C ATOM 1292 CZ TYR A 86 -3.166 8.866 18.289 1.00 27.71 C ATOM 1293 OH TYR A 86 -2.220 8.980 17.304 1.00 30.47 O ATOM 1294 HA TYR A 86 -7.025 10.299 20.663 1.00 0.00 H ATOM 1295 HB3 TYR A 86 -6.196 7.540 21.650 1.00 0.00 H ATOM 1296 HB2 TYR A 86 -5.632 9.085 22.327 1.00 0.00 H ATOM 1297 HD2 TYR A 86 -5.075 6.619 19.788 1.00 0.00 H ATOM 1298 HE2 TYR A 86 -3.469 6.783 17.972 1.00 0.00 H ATOM 1299 HE1 TYR A 86 -2.985 10.927 18.807 1.00 0.00 H ATOM 1300 HD1 TYR A 86 -4.618 10.775 20.591 1.00 0.00 H ATOM 1301 HH TYR A 86 -1.922 9.922 17.241 1.00 0.00 H ATOM 1302 H TYR A 86 -8.081 8.792 22.837 1.00 0.00 H ATOM 1303 N GLU A 87 -8.425 7.435 19.742 1.00 21.41 N ATOM 1304 CA GLU A 87 -8.827 6.719 18.470 1.00 20.85 C ATOM 1305 C GLU A 87 -10.173 7.171 17.869 1.00 18.99 C ATOM 1306 O GLU A 87 -10.389 7.176 16.645 1.00 18.88 O ATOM 1307 CB GLU A 87 -8.807 5.196 18.661 1.00 19.90 C ATOM 1308 CG GLU A 87 -7.521 4.646 19.177 1.00 20.28 C ATOM 1309 CD GLU A 87 -7.583 3.091 19.404 1.00 22.95 C ATOM 1310 OE1 GLU A 87 -8.623 2.467 19.071 1.00 22.19 O ATOM 1311 OE2 GLU A 87 -6.587 2.469 19.875 1.00 20.84 O ATOM 1312 HA GLU A 87 -8.071 7.006 17.739 1.00 0.00 H ATOM 1313 HB2 GLU A 87 -9.596 4.932 19.366 1.00 0.00 H ATOM 1314 HB3 GLU A 87 -9.012 4.731 17.697 1.00 0.00 H ATOM 1315 HG2 GLU A 87 -6.732 4.864 18.457 1.00 0.00 H ATOM 1316 HG3 GLU A 87 -7.288 5.130 20.126 1.00 0.00 H ATOM 1317 H GLU A 87 -8.633 7.022 20.673 1.00 0.00 H ATOM 1318 N LEU A 88 -11.079 7.546 18.746 1.00 16.92 N ATOM 1319 CA LEU A 88 -12.459 7.694 18.374 1.00 17.55 C ATOM 1320 C LEU A 88 -12.982 9.081 18.718 1.00 18.60 C ATOM 1321 O LEU A 88 -14.093 9.397 18.381 1.00 18.12 O ATOM 1322 CB LEU A 88 -13.293 6.614 19.082 1.00 16.44 C ATOM 1323 CG LEU A 88 -13.101 5.139 18.675 1.00 17.22 C ATOM 1324 CD1 LEU A 88 -13.963 4.223 19.555 1.00 16.87 C ATOM 1325 CD2 LEU A 88 -13.479 4.880 17.200 1.00 18.46 C ATOM 1326 HA LEU A 88 -12.544 7.573 17.294 1.00 0.00 H ATOM 1327 HB2 LEU A 88 -13.070 6.684 20.147 1.00 0.00 H ATOM 1328 HB3 LEU A 88 -14.342 6.858 18.915 1.00 0.00 H ATOM 1329 HG LEU A 88 -12.042 4.920 18.809 1.00 0.00 H ATOM 1330 HD21 LEU A 88 -14.526 5.139 17.044 1.00 0.00 H ATOM 1331 HD22 LEU A 88 -12.851 5.492 16.553 1.00 0.00 H ATOM 1332 HD23 LEU A 88 -13.325 3.827 16.966 1.00 0.00 H ATOM 1333 HD11 LEU A 88 -13.672 4.344 20.598 1.00 0.00 H ATOM 1334 HD12 LEU A 88 -15.013 4.490 19.436 1.00 0.00 H ATOM 1335 HD13 LEU A 88 -13.814 3.186 19.253 1.00 0.00 H ATOM 1336 H LEU A 88 -10.791 7.739 19.727 1.00 0.00 H ATOM 1337 N GLY A 89 -12.205 9.890 19.428 1.00 18.99 N ATOM 1338 CA GLY A 89 -12.608 11.267 19.653 1.00 22.02 C ATOM 1339 C GLY A 89 -13.676 11.392 20.728 1.00 23.92 C ATOM 1340 O GLY A 89 -14.289 12.468 20.890 1.00 25.97 O ATOM 1341 HA3 GLY A 89 -13.000 11.674 18.721 1.00 0.00 H ATOM 1342 HA2 GLY A 89 -11.734 11.842 19.959 1.00 0.00 H ATOM 1343 H GLY A 89 -11.309 9.538 19.822 1.00 0.00 H ATOM 1344 N VAL A 90 -13.854 10.332 21.527 1.00 23.02 N ATOM 1345 CA VAL A 90 -15.122 10.133 22.236 1.00 21.94 C ATOM 1346 C VAL A 90 -14.937 10.008 23.733 1.00 22.65 C ATOM 1347 O VAL A 90 -13.959 9.374 24.189 1.00 21.86 O ATOM 1348 CB VAL A 90 -15.942 8.893 21.626 1.00 22.33 C ATOM 1349 CG1 VAL A 90 -15.404 7.516 22.076 1.00 20.37 C ATOM 1350 CG2 VAL A 90 -17.412 9.010 21.886 1.00 21.51 C ATOM 1351 HA VAL A 90 -15.718 11.032 22.078 1.00 0.00 H ATOM 1352 HB VAL A 90 -15.785 8.946 20.549 1.00 0.00 H ATOM 1353 HG11 VAL A 90 -14.367 7.411 21.757 1.00 0.00 H ATOM 1354 HG12 VAL A 90 -15.461 7.442 23.162 1.00 0.00 H ATOM 1355 HG13 VAL A 90 -16.006 6.727 21.625 1.00 0.00 H ATOM 1356 HG21 VAL A 90 -17.588 9.039 22.961 1.00 0.00 H ATOM 1357 HG22 VAL A 90 -17.789 9.925 21.430 1.00 0.00 H ATOM 1358 HG23 VAL A 90 -17.925 8.150 21.456 1.00 0.00 H ATOM 1359 H VAL A 90 -13.085 9.643 21.646 1.00 0.00 H ATOM 1360 N GLU A 91 -15.899 10.585 24.478 1.00 22.34 N ATOM 1361 CA GLU A 91 -15.955 10.505 25.935 1.00 22.00 C ATOM 1362 C GLU A 91 -16.753 9.275 26.342 1.00 21.84 C ATOM 1363 O GLU A 91 -17.694 8.890 25.647 1.00 22.21 O ATOM 1364 CB GLU A 91 -16.634 11.780 26.501 1.00 22.94 C ATOM 1365 CG GLU A 91 -15.878 13.077 26.175 1.00 24.63 C ATOM 1366 CD GLU A 91 -14.415 13.053 26.651 1.00 25.87 C ATOM 1367 OE1 GLU A 91 -14.160 12.718 27.818 1.00 27.39 O ATOM 1368 OE2 GLU A 91 -13.501 13.432 25.888 1.00 29.59 O ATOM 1369 HA GLU A 91 -14.944 10.430 26.335 1.00 0.00 H ATOM 1370 HB2 GLU A 91 -17.638 11.851 26.082 1.00 0.00 H ATOM 1371 HB3 GLU A 91 -16.701 11.683 27.585 1.00 0.00 H ATOM 1372 HG2 GLU A 91 -15.890 13.225 25.095 1.00 0.00 H ATOM 1373 HG3 GLU A 91 -16.388 13.909 26.660 1.00 0.00 H ATOM 1374 H GLU A 91 -16.645 11.118 23.987 1.00 0.00 H ATOM 1375 N ILE A 92 -16.452 8.711 27.504 1.00 20.73 N ATOM 1376 CA ILE A 92 -17.117 7.492 27.936 1.00 20.74 C ATOM 1377 C ILE A 92 -17.423 7.503 29.411 1.00 21.96 C ATOM 1378 O ILE A 92 -16.820 8.270 30.160 1.00 22.07 O ATOM 1379 CB ILE A 92 -16.266 6.209 27.605 1.00 22.32 C ATOM 1380 CG1 ILE A 92 -14.815 6.305 28.239 1.00 20.23 C ATOM 1381 CG2 ILE A 92 -16.219 6.020 26.120 1.00 18.65 C ATOM 1382 CD1 ILE A 92 -14.038 4.998 28.386 1.00 17.95 C ATOM 1383 HA ILE A 92 -18.054 7.456 27.380 1.00 0.00 H ATOM 1384 HB ILE A 92 -16.740 5.334 28.051 1.00 0.00 H ATOM 1385 HG12 ILE A 92 -14.224 6.971 27.610 1.00 0.00 H ATOM 1386 HG13 ILE A 92 -14.918 6.741 29.233 1.00 0.00 H ATOM 1387 HD11 ILE A 92 -14.596 4.315 29.027 1.00 0.00 H ATOM 1388 HD12 ILE A 92 -13.901 4.546 27.404 1.00 0.00 H ATOM 1389 HD13 ILE A 92 -13.065 5.204 28.831 1.00 0.00 H ATOM 1390 HG21 ILE A 92 -17.233 5.896 25.739 1.00 0.00 H ATOM 1391 HG22 ILE A 92 -15.760 6.894 25.658 1.00 0.00 H ATOM 1392 HG23 ILE A 92 -15.631 5.133 25.886 1.00 0.00 H ATOM 1393 H ILE A 92 -15.731 9.146 28.114 1.00 0.00 H ATOM 1394 N THR A 93 -18.348 6.636 29.822 1.00 22.40 N ATOM 1395 CA THR A 93 -18.598 6.435 31.237 1.00 23.36 C ATOM 1396 C THR A 93 -17.432 5.628 31.837 1.00 23.73 C ATOM 1397 O THR A 93 -16.659 5.063 31.051 1.00 23.69 O ATOM 1398 CB THR A 93 -19.916 5.743 31.438 1.00 23.50 C ATOM 1399 OG1 THR A 93 -19.860 4.454 30.795 1.00 20.98 O ATOM 1400 CG2 THR A 93 -21.061 6.643 30.825 1.00 20.56 C ATOM 1401 HA THR A 93 -18.657 7.395 31.750 1.00 0.00 H ATOM 1402 HB THR A 93 -20.126 5.594 32.497 1.00 0.00 H ATOM 1403 HG1 THR A 93 -20.724 3.986 30.920 1.00 0.00 H ATOM 1404 HG23 THR A 93 -21.075 7.607 31.333 1.00 0.00 H ATOM 1405 HG21 THR A 93 -20.873 6.794 29.762 1.00 0.00 H ATOM 1406 HG22 THR A 93 -22.022 6.147 30.959 1.00 0.00 H ATOM 1407 H THR A 93 -18.896 6.098 29.121 1.00 0.00 H ATOM 1408 N PRO A 94 -17.269 5.602 33.215 1.00 24.04 N ATOM 1409 CA PRO A 94 -16.157 4.805 33.834 1.00 23.09 C ATOM 1410 C PRO A 94 -16.091 3.329 33.315 1.00 21.77 C ATOM 1411 O PRO A 94 -17.053 2.626 33.370 1.00 21.19 O ATOM 1412 CB PRO A 94 -16.480 4.867 35.333 1.00 23.42 C ATOM 1413 CG PRO A 94 -17.212 6.220 35.493 1.00 23.61 C ATOM 1414 CD PRO A 94 -18.055 6.332 34.253 1.00 24.76 C ATOM 1415 HA PRO A 94 -15.175 5.206 33.582 1.00 0.00 H ATOM 1416 HD3 PRO A 94 -19.028 5.865 34.402 1.00 0.00 H ATOM 1417 HD2 PRO A 94 -18.194 7.376 33.971 1.00 0.00 H ATOM 1418 HG3 PRO A 94 -16.498 7.042 35.551 1.00 0.00 H ATOM 1419 HG2 PRO A 94 -17.836 6.219 36.387 1.00 0.00 H ATOM 1420 HB2 PRO A 94 -17.124 4.039 35.627 1.00 0.00 H ATOM 1421 HB3 PRO A 94 -15.568 4.845 35.929 1.00 0.00 H ATOM 1422 N PRO A 95 -14.984 2.898 32.709 1.00 21.55 N ATOM 1423 CA PRO A 95 -15.026 1.524 32.222 1.00 22.05 C ATOM 1424 C PRO A 95 -15.373 0.501 33.297 1.00 22.02 C ATOM 1425 O PRO A 95 -14.897 0.600 34.435 1.00 21.01 O ATOM 1426 CB PRO A 95 -13.611 1.284 31.705 1.00 21.32 C ATOM 1427 CG PRO A 95 -13.117 2.607 31.350 1.00 21.45 C ATOM 1428 CD PRO A 95 -13.759 3.596 32.305 1.00 21.92 C ATOM 1429 HA PRO A 95 -15.807 1.402 31.471 1.00 0.00 H ATOM 1430 HD3 PRO A 95 -13.115 3.791 33.163 1.00 0.00 H ATOM 1431 HD2 PRO A 95 -13.988 4.536 31.804 1.00 0.00 H ATOM 1432 HG3 PRO A 95 -13.393 2.846 30.323 1.00 0.00 H ATOM 1433 HG2 PRO A 95 -12.032 2.640 31.451 1.00 0.00 H ATOM 1434 HB2 PRO A 95 -12.989 0.836 32.480 1.00 0.00 H ATOM 1435 HB3 PRO A 95 -13.626 0.632 30.832 1.00 0.00 H ATOM 1436 N GLU A 96 -16.191 -0.474 32.931 1.00 23.12 N ATOM 1437 CA GLU A 96 -16.558 -1.579 33.834 1.00 23.75 C ATOM 1438 C GLU A 96 -15.801 -2.829 33.445 1.00 23.68 C ATOM 1439 O GLU A 96 -15.953 -3.271 32.316 1.00 24.80 O ATOM 1440 CB GLU A 96 -18.038 -1.971 33.617 1.00 24.82 C ATOM 1441 CG GLU A 96 -19.063 -1.715 34.747 1.00 29.30 C ATOM 1442 CD GLU A 96 -18.824 -2.641 35.874 1.00 35.54 C ATOM 1443 OE1 GLU A 96 -18.017 -2.259 36.766 1.00 37.88 O ATOM 1444 OE2 GLU A 96 -19.394 -3.772 35.848 1.00 40.91 O ATOM 1445 HA GLU A 96 -16.349 -1.247 34.851 1.00 0.00 H ATOM 1446 HB2 GLU A 96 -18.387 -1.424 32.741 1.00 0.00 H ATOM 1447 HB3 GLU A 96 -18.056 -3.040 33.407 1.00 0.00 H ATOM 1448 HG2 GLU A 96 -18.963 -0.688 35.098 1.00 0.00 H ATOM 1449 HG3 GLU A 96 -20.071 -1.870 34.361 1.00 0.00 H ATOM 1450 H GLU A 96 -16.589 -0.459 31.970 1.00 0.00 H ATOM 1451 N SER A 97 -15.162 -3.484 34.398 1.00 23.24 N ATOM 1452 CA SER A 97 -14.713 -4.894 34.241 1.00 25.52 C ATOM 1453 C SER A 97 -15.692 -5.931 33.664 1.00 25.33 C ATOM 1454 O SER A 97 -16.769 -6.169 34.203 1.00 26.35 O ATOM 1455 CB SER A 97 -14.143 -5.469 35.554 1.00 25.53 C ATOM 1456 OG SER A 97 -13.633 -6.775 35.301 1.00 26.77 O ATOM 1457 HA SER A 97 -13.957 -4.762 33.467 1.00 0.00 H ATOM 1458 HB2 SER A 97 -14.932 -5.523 36.304 1.00 0.00 H ATOM 1459 HB3 SER A 97 -13.341 -4.827 35.918 1.00 0.00 H ATOM 1460 HG SER A 97 -12.917 -6.722 34.619 1.00 0.00 H ATOM 1461 H SER A 97 -14.965 -2.994 35.294 1.00 0.00 H ATOM 1462 N ILE A 98 -15.271 -6.592 32.591 1.00 24.36 N ATOM 1463 CA ILE A 98 -16.040 -7.656 32.050 1.00 23.18 C ATOM 1464 C ILE A 98 -15.325 -9.037 32.046 1.00 22.71 C ATOM 1465 O ILE A 98 -15.966 -10.070 32.132 1.00 21.92 O ATOM 1466 CB ILE A 98 -16.676 -7.283 30.639 1.00 24.30 C ATOM 1467 CG1 ILE A 98 -16.122 -8.050 29.512 1.00 22.89 C ATOM 1468 CG2 ILE A 98 -16.782 -5.765 30.317 1.00 27.04 C ATOM 1469 CD1 ILE A 98 -17.075 -9.059 29.160 1.00 30.56 C ATOM 1470 HA ILE A 98 -16.867 -7.787 32.748 1.00 0.00 H ATOM 1471 HB ILE A 98 -17.710 -7.605 30.765 1.00 0.00 H ATOM 1472 HG12 ILE A 98 -15.950 -7.389 28.662 1.00 0.00 H ATOM 1473 HG13 ILE A 98 -15.181 -8.515 29.806 1.00 0.00 H ATOM 1474 HD11 ILE A 98 -17.244 -9.712 30.016 1.00 0.00 H ATOM 1475 HD12 ILE A 98 -18.014 -8.586 28.872 1.00 0.00 H ATOM 1476 HD13 ILE A 98 -16.690 -9.645 28.325 1.00 0.00 H ATOM 1477 HG21 ILE A 98 -17.404 -5.278 31.068 1.00 0.00 H ATOM 1478 HG22 ILE A 98 -15.786 -5.322 30.327 1.00 0.00 H ATOM 1479 HG23 ILE A 98 -17.230 -5.634 29.332 1.00 0.00 H ATOM 1480 H ILE A 98 -14.370 -6.328 32.143 1.00 0.00 H ATOM 1481 N TYR A 99 -14.002 -9.050 31.894 1.00 22.41 N ATOM 1482 CA TYR A 99 -13.248 -10.307 31.774 1.00 21.87 C ATOM 1483 C TYR A 99 -11.863 -9.938 32.168 1.00 22.18 C ATOM 1484 O TYR A 99 -11.101 -9.578 31.305 1.00 23.05 O ATOM 1485 CB TYR A 99 -13.306 -10.782 30.330 1.00 21.38 C ATOM 1486 CG TYR A 99 -12.798 -12.158 30.027 1.00 22.00 C ATOM 1487 CD1 TYR A 99 -12.073 -12.918 30.957 1.00 17.98 C ATOM 1488 CD2 TYR A 99 -13.025 -12.703 28.758 1.00 21.38 C ATOM 1489 CE1 TYR A 99 -11.610 -14.220 30.633 1.00 18.65 C ATOM 1490 CE2 TYR A 99 -12.557 -13.956 28.429 1.00 23.15 C ATOM 1491 CZ TYR A 99 -11.838 -14.722 29.359 1.00 22.24 C ATOM 1492 OH TYR A 99 -11.395 -15.984 28.942 1.00 23.06 O ATOM 1493 HA TYR A 99 -13.638 -11.117 32.391 1.00 0.00 H ATOM 1494 HB3 TYR A 99 -12.723 -10.081 29.733 1.00 0.00 H ATOM 1495 HB2 TYR A 99 -14.349 -10.744 30.016 1.00 0.00 H ATOM 1496 HD2 TYR A 99 -13.581 -12.127 28.018 1.00 0.00 H ATOM 1497 HE2 TYR A 99 -12.748 -14.357 27.434 1.00 0.00 H ATOM 1498 HE1 TYR A 99 -11.082 -14.818 31.375 1.00 0.00 H ATOM 1499 HD1 TYR A 99 -11.862 -12.503 31.942 1.00 0.00 H ATOM 1500 HH TYR A 99 -12.175 -16.539 28.688 1.00 0.00 H ATOM 1501 H TYR A 99 -13.488 -8.147 31.859 1.00 0.00 H ATOM 1502 N PRO A 100 -11.561 -9.933 33.497 1.00 23.43 N ATOM 1503 CA PRO A 100 -10.317 -9.385 34.126 1.00 23.08 C ATOM 1504 C PRO A 100 -9.080 -10.270 33.945 1.00 22.82 C ATOM 1505 O PRO A 100 -7.903 -9.783 33.979 1.00 20.79 O ATOM 1506 CB PRO A 100 -10.692 -9.307 35.659 1.00 23.02 C ATOM 1507 CG PRO A 100 -11.614 -10.488 35.838 1.00 23.44 C ATOM 1508 CD PRO A 100 -12.514 -10.404 34.540 1.00 22.10 C ATOM 1509 HA PRO A 100 -10.041 -8.436 33.667 1.00 0.00 H ATOM 1510 HD3 PRO A 100 -12.923 -11.381 34.284 1.00 0.00 H ATOM 1511 HD2 PRO A 100 -13.330 -9.694 34.674 1.00 0.00 H ATOM 1512 HG3 PRO A 100 -12.214 -10.389 36.743 1.00 0.00 H ATOM 1513 HG2 PRO A 100 -11.057 -11.424 35.874 1.00 0.00 H ATOM 1514 HB2 PRO A 100 -9.805 -9.402 36.286 1.00 0.00 H ATOM 1515 HB3 PRO A 100 -11.201 -8.372 35.892 1.00 0.00 H ATOM 1516 N ASP A 101 -9.355 -11.548 33.755 1.00 23.45 N ATOM 1517 CA ASP A 101 -8.305 -12.589 33.601 1.00 24.78 C ATOM 1518 C ASP A 101 -8.047 -13.095 32.145 1.00 24.33 C ATOM 1519 O ASP A 101 -7.364 -14.112 31.952 1.00 23.52 O ATOM 1520 CB ASP A 101 -8.574 -13.750 34.609 1.00 26.05 C ATOM 1521 CG ASP A 101 -9.971 -14.382 34.436 1.00 31.94 C ATOM 1522 OD1 ASP A 101 -10.912 -13.703 33.898 1.00 32.04 O ATOM 1523 OD2 ASP A 101 -10.135 -15.580 34.836 1.00 36.92 O ATOM 1524 HA ASP A 101 -7.360 -12.103 33.842 1.00 0.00 H ATOM 1525 HB2 ASP A 101 -7.821 -14.523 34.459 1.00 0.00 H ATOM 1526 HB3 ASP A 101 -8.492 -13.357 35.623 1.00 0.00 H ATOM 1527 H ASP A 101 -10.352 -11.839 33.711 1.00 0.00 H ATOM 1528 N PHE A 102 -8.549 -12.373 31.111 1.00 23.92 N ATOM 1529 CA PHE A 102 -8.306 -12.749 29.704 1.00 22.61 C ATOM 1530 C PHE A 102 -6.829 -12.616 29.360 1.00 24.32 C ATOM 1531 O PHE A 102 -6.197 -11.577 29.634 1.00 24.74 O ATOM 1532 CB PHE A 102 -9.173 -11.951 28.699 1.00 21.76 C ATOM 1533 CG PHE A 102 -8.977 -12.350 27.238 1.00 20.29 C ATOM 1534 CD1 PHE A 102 -9.265 -13.666 26.788 1.00 19.22 C ATOM 1535 CD2 PHE A 102 -8.540 -11.418 26.312 1.00 19.50 C ATOM 1536 CE1 PHE A 102 -9.074 -14.077 25.450 1.00 17.87 C ATOM 1537 CE2 PHE A 102 -8.334 -11.797 24.926 1.00 19.18 C ATOM 1538 CZ PHE A 102 -8.603 -13.112 24.476 1.00 19.29 C ATOM 1539 HA PHE A 102 -8.605 -13.793 29.609 1.00 0.00 H ATOM 1540 HB2 PHE A 102 -10.221 -12.104 28.956 1.00 0.00 H ATOM 1541 HB3 PHE A 102 -8.926 -10.894 28.800 1.00 0.00 H ATOM 1542 HD2 PHE A 102 -8.349 -10.392 26.626 1.00 0.00 H ATOM 1543 HE2 PHE A 102 -7.965 -11.055 24.218 1.00 0.00 H ATOM 1544 HZ PHE A 102 -8.461 -13.390 23.432 1.00 0.00 H ATOM 1545 HE1 PHE A 102 -9.278 -15.106 25.154 1.00 0.00 H ATOM 1546 HD1 PHE A 102 -9.650 -14.390 27.506 1.00 0.00 H ATOM 1547 H PHE A 102 -9.122 -11.530 31.316 1.00 0.00 H ATOM 1548 N ARG A 103 -6.294 -13.664 28.743 1.00 25.32 N ATOM 1549 CA ARG A 103 -4.926 -13.681 28.304 1.00 25.19 C ATOM 1550 C ARG A 103 -4.986 -14.585 27.079 1.00 23.78 C ATOM 1551 O ARG A 103 -5.683 -15.582 27.061 1.00 23.09 O ATOM 1552 CB ARG A 103 -4.055 -14.313 29.404 1.00 27.75 C ATOM 1553 CG ARG A 103 -2.473 -14.375 29.155 1.00 29.62 C ATOM 1554 CD ARG A 103 -1.995 -15.878 29.207 1.00 37.99 C ATOM 1555 NE ARG A 103 -0.539 -16.088 29.272 1.00 40.33 N ATOM 1556 CZ ARG A 103 0.059 -17.191 29.776 1.00 45.52 C ATOM 1557 NH1 ARG A 103 1.402 -17.298 29.758 1.00 43.34 N ATOM 1558 NH2 ARG A 103 -0.674 -18.209 30.287 1.00 45.15 N ATOM 1559 HA ARG A 103 -4.505 -12.699 28.090 1.00 0.00 H ATOM 1560 HB2 ARG A 103 -4.219 -13.743 30.318 1.00 0.00 H ATOM 1561 HB3 ARG A 103 -4.403 -15.336 29.548 1.00 0.00 H ATOM 1562 HG2 ARG A 103 -2.241 -13.953 28.177 1.00 0.00 H ATOM 1563 HG3 ARG A 103 -1.960 -13.803 29.928 1.00 0.00 H ATOM 1564 HD2 ARG A 103 -2.365 -16.378 28.312 1.00 0.00 H ATOM 1565 HD3 ARG A 103 -2.439 -16.340 30.089 1.00 0.00 H ATOM 1566 HE ARG A 103 0.074 -15.333 28.903 1.00 0.00 H ATOM 1567 HH12 ARG A 103 1.861 -18.147 30.146 1.00 0.00 H ATOM 1568 HH11 ARG A 103 1.979 -16.532 29.356 1.00 0.00 H ATOM 1569 HH22 ARG A 103 -0.199 -19.051 30.671 1.00 0.00 H ATOM 1570 HH21 ARG A 103 -1.712 -18.149 30.295 1.00 0.00 H ATOM 1571 H ARG A 103 -6.886 -14.502 28.572 1.00 0.00 H ATOM 1572 N TYR A 104 -4.283 -14.214 26.032 1.00 23.24 N ATOM 1573 CA TYR A 104 -4.299 -14.971 24.763 1.00 22.20 C ATOM 1574 C TYR A 104 -2.952 -14.731 24.058 1.00 23.25 C ATOM 1575 O TYR A 104 -2.188 -13.779 24.395 1.00 22.29 O ATOM 1576 CB TYR A 104 -5.459 -14.471 23.877 1.00 20.49 C ATOM 1577 CG TYR A 104 -5.126 -13.172 23.185 1.00 21.18 C ATOM 1578 CD1 TYR A 104 -4.726 -13.135 21.847 1.00 19.62 C ATOM 1579 CD2 TYR A 104 -5.165 -11.971 23.898 1.00 17.41 C ATOM 1580 CE1 TYR A 104 -4.391 -11.917 21.247 1.00 18.85 C ATOM 1581 CE2 TYR A 104 -4.865 -10.799 23.329 1.00 19.14 C ATOM 1582 CZ TYR A 104 -4.481 -10.741 22.008 1.00 20.44 C ATOM 1583 OH TYR A 104 -4.131 -9.490 21.529 1.00 19.45 O ATOM 1584 HA TYR A 104 -4.443 -16.035 24.949 1.00 0.00 H ATOM 1585 HB3 TYR A 104 -6.339 -14.321 24.502 1.00 0.00 H ATOM 1586 HB2 TYR A 104 -5.676 -15.226 23.122 1.00 0.00 H ATOM 1587 HD2 TYR A 104 -5.449 -11.990 24.950 1.00 0.00 H ATOM 1588 HE2 TYR A 104 -4.925 -9.882 23.915 1.00 0.00 H ATOM 1589 HE1 TYR A 104 -4.066 -11.882 20.207 1.00 0.00 H ATOM 1590 HD1 TYR A 104 -4.675 -14.058 21.269 1.00 0.00 H ATOM 1591 HH TYR A 104 -3.367 -9.139 22.052 1.00 0.00 H ATOM 1592 H TYR A 104 -3.695 -13.358 26.099 1.00 0.00 H ATOM 1593 N ARG A 105 -2.677 -15.586 23.072 1.00 23.88 N ATOM 1594 CA ARG A 105 -1.573 -15.384 22.145 1.00 24.87 C ATOM 1595 C ARG A 105 -2.093 -15.734 20.771 1.00 25.19 C ATOM 1596 O ARG A 105 -2.839 -16.710 20.660 1.00 24.20 O ATOM 1597 CB ARG A 105 -0.417 -16.337 22.442 1.00 25.62 C ATOM 1598 CG ARG A 105 0.891 -15.945 21.775 1.00 25.34 C ATOM 1599 CD ARG A 105 1.896 -17.104 21.943 1.00 31.25 C ATOM 1600 NE ARG A 105 3.069 -16.857 21.134 1.00 29.18 N ATOM 1601 CZ ARG A 105 3.236 -17.306 19.892 1.00 33.33 C ATOM 1602 NH1 ARG A 105 2.284 -18.020 19.294 1.00 29.53 N ATOM 1603 NH2 ARG A 105 4.354 -16.990 19.229 1.00 32.87 N ATOM 1604 HA ARG A 105 -1.216 -14.357 22.226 1.00 0.00 H ATOM 1605 HB2 ARG A 105 -0.259 -16.360 23.520 1.00 0.00 H ATOM 1606 HB3 ARG A 105 -0.695 -17.332 22.095 1.00 0.00 H ATOM 1607 HG2 ARG A 105 0.721 -15.757 20.715 1.00 0.00 H ATOM 1608 HG3 ARG A 105 1.287 -15.044 22.244 1.00 0.00 H ATOM 1609 HD2 ARG A 105 1.429 -18.037 21.628 1.00 0.00 H ATOM 1610 HD3 ARG A 105 2.188 -17.181 22.990 1.00 0.00 H ATOM 1611 HE ARG A 105 3.834 -16.290 21.551 1.00 0.00 H ATOM 1612 HH12 ARG A 105 2.425 -18.366 18.323 1.00 0.00 H ATOM 1613 HH11 ARG A 105 1.399 -18.232 19.798 1.00 0.00 H ATOM 1614 HH22 ARG A 105 4.498 -17.334 18.258 1.00 0.00 H ATOM 1615 HH21 ARG A 105 5.080 -16.400 19.684 1.00 0.00 H ATOM 1616 H ARG A 105 -3.275 -16.430 22.961 1.00 0.00 H ATOM 1617 N ALA A 106 -1.710 -14.956 19.740 1.00 24.93 N ATOM 1618 CA ALA A 106 -2.239 -15.215 18.396 1.00 25.36 C ATOM 1619 C ALA A 106 -1.331 -14.620 17.331 1.00 26.34 C ATOM 1620 O ALA A 106 -0.601 -13.686 17.596 1.00 25.31 O ATOM 1621 CB ALA A 106 -3.688 -14.685 18.245 1.00 25.64 C ATOM 1622 HA ALA A 106 -2.266 -16.296 18.256 1.00 0.00 H ATOM 1623 HB1 ALA A 106 -4.332 -15.180 18.972 1.00 0.00 H ATOM 1624 HB2 ALA A 106 -3.700 -13.609 18.420 1.00 0.00 H ATOM 1625 HB3 ALA A 106 -4.047 -14.894 17.237 1.00 0.00 H ATOM 1626 H ALA A 106 -1.042 -14.175 19.896 1.00 0.00 H ATOM 1627 N THR A 107 -1.403 -15.192 16.126 1.00 27.53 N ATOM 1628 CA THR A 107 -0.563 -14.788 14.972 1.00 27.65 C ATOM 1629 C THR A 107 -1.422 -14.221 13.859 1.00 28.48 C ATOM 1630 O THR A 107 -2.465 -14.796 13.496 1.00 28.62 O ATOM 1631 CB THR A 107 0.293 -15.990 14.438 1.00 28.37 C ATOM 1632 OG1 THR A 107 0.778 -16.764 15.559 1.00 27.04 O ATOM 1633 CG2 THR A 107 1.464 -15.482 13.632 1.00 25.96 C ATOM 1634 HA THR A 107 0.122 -14.014 15.318 1.00 0.00 H ATOM 1635 HB THR A 107 -0.330 -16.615 13.798 1.00 0.00 H ATOM 1636 HG1 THR A 107 1.319 -17.523 15.225 1.00 0.00 H ATOM 1637 HG23 THR A 107 1.097 -14.899 12.788 1.00 0.00 H ATOM 1638 HG21 THR A 107 2.093 -14.854 14.263 1.00 0.00 H ATOM 1639 HG22 THR A 107 2.045 -16.328 13.265 1.00 0.00 H ATOM 1640 H THR A 107 -2.086 -15.964 15.989 1.00 0.00 H ATOM 1641 N ASP A 108 -1.009 -13.062 13.374 1.00 27.95 N ATOM 1642 CA ASP A 108 -1.703 -12.386 12.310 1.00 27.53 C ATOM 1643 C ASP A 108 -1.257 -12.903 10.906 1.00 28.44 C ATOM 1644 O ASP A 108 -0.364 -13.748 10.813 1.00 27.36 O ATOM 1645 CB ASP A 108 -1.686 -10.845 12.543 1.00 25.87 C ATOM 1646 CG ASP A 108 -0.733 -10.104 11.654 1.00 25.59 C ATOM 1647 OD1 ASP A 108 0.312 -10.678 11.266 1.00 25.67 O ATOM 1648 OD2 ASP A 108 -1.009 -8.906 11.401 1.00 17.71 O ATOM 1649 HA ASP A 108 -2.763 -12.641 12.324 1.00 0.00 H ATOM 1650 HB2 ASP A 108 -2.690 -10.460 12.366 1.00 0.00 H ATOM 1651 HB3 ASP A 108 -1.404 -10.658 13.579 1.00 0.00 H ATOM 1652 H ASP A 108 -0.155 -12.625 13.775 1.00 0.00 H ATOM 1653 N PRO A 109 -1.938 -12.463 9.812 1.00 29.56 N ATOM 1654 CA PRO A 109 -1.723 -13.119 8.508 1.00 29.96 C ATOM 1655 C PRO A 109 -0.321 -12.966 7.952 1.00 29.97 C ATOM 1656 O PRO A 109 0.133 -13.817 7.175 1.00 30.48 O ATOM 1657 CB PRO A 109 -2.779 -12.447 7.621 1.00 30.91 C ATOM 1658 CG PRO A 109 -3.842 -12.034 8.609 1.00 30.09 C ATOM 1659 CD PRO A 109 -2.992 -11.451 9.697 1.00 29.16 C ATOM 1660 HA PRO A 109 -1.823 -14.202 8.575 1.00 0.00 H ATOM 1661 HD3 PRO A 109 -2.585 -10.482 9.410 1.00 0.00 H ATOM 1662 HD2 PRO A 109 -3.550 -11.348 10.628 1.00 0.00 H ATOM 1663 HG3 PRO A 109 -4.418 -12.889 8.962 1.00 0.00 H ATOM 1664 HG2 PRO A 109 -4.519 -11.292 8.186 1.00 0.00 H ATOM 1665 HB2 PRO A 109 -2.364 -11.580 7.106 1.00 0.00 H ATOM 1666 HB3 PRO A 109 -3.177 -13.147 6.887 1.00 0.00 H ATOM 1667 N SER A 110 0.379 -11.942 8.426 1.00 29.71 N ATOM 1668 CA SER A 110 1.767 -11.713 8.088 1.00 29.62 C ATOM 1669 C SER A 110 2.724 -12.237 9.202 1.00 30.37 C ATOM 1670 O SER A 110 3.962 -12.003 9.128 1.00 30.26 O ATOM 1671 CB SER A 110 2.014 -10.228 7.783 1.00 29.04 C ATOM 1672 OG SER A 110 2.100 -9.459 8.980 1.00 32.51 O ATOM 1673 HA SER A 110 1.990 -12.282 7.185 1.00 0.00 H ATOM 1674 HB2 SER A 110 1.192 -9.849 7.176 1.00 0.00 H ATOM 1675 HB3 SER A 110 2.948 -10.130 7.230 1.00 0.00 H ATOM 1676 HG SER A 110 1.252 -9.540 9.485 1.00 0.00 H ATOM 1677 H SER A 110 -0.092 -11.274 9.069 1.00 0.00 H ATOM 1678 N GLY A 111 2.168 -12.932 10.201 1.00 28.42 N ATOM 1679 CA GLY A 111 2.967 -13.549 11.281 1.00 28.44 C ATOM 1680 C GLY A 111 3.426 -12.688 12.472 1.00 27.99 C ATOM 1681 O GLY A 111 4.379 -13.009 13.177 1.00 27.05 O ATOM 1682 HA3 GLY A 111 3.866 -13.955 10.818 1.00 0.00 H ATOM 1683 HA2 GLY A 111 2.371 -14.365 11.690 1.00 0.00 H ATOM 1684 H GLY A 111 1.134 -13.042 10.218 1.00 0.00 H ATOM 1685 N ILE A 112 2.802 -11.538 12.651 1.00 27.92 N ATOM 1686 CA ILE A 112 2.995 -10.739 13.858 1.00 25.96 C ATOM 1687 C ILE A 112 2.098 -11.333 14.972 1.00 25.24 C ATOM 1688 O ILE A 112 0.909 -11.641 14.773 1.00 25.60 O ATOM 1689 CB ILE A 112 2.699 -9.282 13.554 1.00 26.25 C ATOM 1690 CG1 ILE A 112 3.807 -8.741 12.668 1.00 24.54 C ATOM 1691 CG2 ILE A 112 2.553 -8.396 14.850 1.00 26.80 C ATOM 1692 CD1 ILE A 112 3.308 -7.698 11.887 1.00 27.36 C ATOM 1693 HA ILE A 112 4.027 -10.772 14.208 1.00 0.00 H ATOM 1694 HB ILE A 112 1.736 -9.234 13.046 1.00 0.00 H ATOM 1695 HG12 ILE A 112 4.623 -8.372 13.290 1.00 0.00 H ATOM 1696 HG13 ILE A 112 4.176 -9.536 12.020 1.00 0.00 H ATOM 1697 HD11 ILE A 112 2.493 -8.069 11.266 1.00 0.00 H ATOM 1698 HD12 ILE A 112 2.940 -6.904 12.536 1.00 0.00 H ATOM 1699 HD13 ILE A 112 4.103 -7.309 11.251 1.00 0.00 H ATOM 1700 HG21 ILE A 112 1.735 -8.779 15.460 1.00 0.00 H ATOM 1701 HG22 ILE A 112 3.481 -8.433 15.420 1.00 0.00 H ATOM 1702 HG23 ILE A 112 2.342 -7.366 14.563 1.00 0.00 H ATOM 1703 H ILE A 112 2.156 -11.192 11.913 1.00 0.00 H ATOM 1704 N VAL A 113 2.722 -11.582 16.110 1.00 23.86 N ATOM 1705 CA VAL A 113 2.079 -12.204 17.252 1.00 22.82 C ATOM 1706 C VAL A 113 1.589 -11.079 18.219 1.00 22.69 C ATOM 1707 O VAL A 113 2.268 -10.045 18.401 1.00 21.66 O ATOM 1708 CB VAL A 113 3.059 -13.245 17.924 1.00 22.84 C ATOM 1709 CG1 VAL A 113 2.518 -13.876 19.227 1.00 22.73 C ATOM 1710 CG2 VAL A 113 3.453 -14.366 16.933 1.00 24.85 C ATOM 1711 HA VAL A 113 1.202 -12.777 16.951 1.00 0.00 H ATOM 1712 HB VAL A 113 3.939 -12.663 18.198 1.00 0.00 H ATOM 1713 HG11 VAL A 113 2.333 -13.091 19.960 1.00 0.00 H ATOM 1714 HG12 VAL A 113 1.588 -14.403 19.015 1.00 0.00 H ATOM 1715 HG13 VAL A 113 3.253 -14.578 19.622 1.00 0.00 H ATOM 1716 HG21 VAL A 113 2.556 -14.893 16.607 1.00 0.00 H ATOM 1717 HG22 VAL A 113 3.952 -13.927 16.069 1.00 0.00 H ATOM 1718 HG23 VAL A 113 4.128 -15.065 17.427 1.00 0.00 H ATOM 1719 H VAL A 113 3.725 -11.319 16.191 1.00 0.00 H ATOM 1720 N GLU A 114 0.379 -11.264 18.763 1.00 21.40 N ATOM 1721 CA GLU A 114 0.023 -10.628 19.992 1.00 20.41 C ATOM 1722 C GLU A 114 0.060 -11.682 21.090 1.00 21.95 C ATOM 1723 O GLU A 114 -0.296 -12.855 20.889 1.00 21.85 O ATOM 1724 CB GLU A 114 -1.299 -9.920 19.883 1.00 21.64 C ATOM 1725 CG GLU A 114 -1.196 -8.457 19.356 1.00 19.64 C ATOM 1726 CD GLU A 114 -0.797 -7.468 20.461 1.00 20.28 C ATOM 1727 OE1 GLU A 114 -1.207 -6.306 20.430 1.00 21.67 O ATOM 1728 OE2 GLU A 114 -0.084 -7.828 21.414 1.00 23.20 O ATOM 1729 HA GLU A 114 0.737 -9.843 20.241 1.00 0.00 H ATOM 1730 HB2 GLU A 114 -1.935 -10.485 19.202 1.00 0.00 H ATOM 1731 HB3 GLU A 114 -1.758 -9.897 20.872 1.00 0.00 H ATOM 1732 HG2 GLU A 114 -0.447 -8.421 18.565 1.00 0.00 H ATOM 1733 HG3 GLU A 114 -2.164 -8.160 18.952 1.00 0.00 H ATOM 1734 H GLU A 114 -0.310 -11.879 18.285 1.00 0.00 H ATOM 1735 N ASN A 115 0.620 -11.265 22.226 1.00 22.45 N ATOM 1736 CA ASN A 115 0.857 -12.153 23.375 1.00 21.84 C ATOM 1737 C ASN A 115 0.520 -11.297 24.574 1.00 19.91 C ATOM 1738 O ASN A 115 1.307 -10.469 24.977 1.00 20.18 O ATOM 1739 CB ASN A 115 2.321 -12.652 23.412 1.00 19.97 C ATOM 1740 CG ASN A 115 2.493 -13.902 24.257 1.00 22.96 C ATOM 1741 OD1 ASN A 115 1.505 -14.519 24.737 1.00 19.55 O ATOM 1742 ND2 ASN A 115 3.765 -14.285 24.470 1.00 19.57 N ATOM 1743 HA ASN A 115 0.255 -13.061 23.336 1.00 0.00 H ATOM 1744 HB2 ASN A 115 2.640 -12.873 22.393 1.00 0.00 H ATOM 1745 HB3 ASN A 115 2.949 -11.862 23.825 1.00 0.00 H ATOM 1746 HD22 ASN A 115 4.548 -13.743 24.052 1.00 0.00 H ATOM 1747 HD21 ASN A 115 3.965 -15.123 25.052 1.00 0.00 H ATOM 1748 H ASN A 115 0.902 -10.267 22.303 1.00 0.00 H ATOM 1749 N GLU A 116 -0.705 -11.411 25.071 1.00 19.22 N ATOM 1750 CA GLU A 116 -1.159 -10.388 26.018 1.00 19.32 C ATOM 1751 C GLU A 116 -1.935 -10.950 27.226 1.00 19.46 C ATOM 1752 O GLU A 116 -2.648 -11.932 27.105 1.00 18.21 O ATOM 1753 CB GLU A 116 -1.984 -9.286 25.335 1.00 18.30 C ATOM 1754 CG GLU A 116 -1.235 -8.542 24.271 1.00 16.90 C ATOM 1755 CD GLU A 116 -2.110 -7.549 23.567 1.00 22.52 C ATOM 1756 OE1 GLU A 116 -3.365 -7.780 23.437 1.00 15.10 O ATOM 1757 OE2 GLU A 116 -1.500 -6.534 23.167 1.00 19.89 O ATOM 1758 HA GLU A 116 -0.238 -9.953 26.405 1.00 0.00 H ATOM 1759 HB2 GLU A 116 -2.862 -9.745 24.881 1.00 0.00 H ATOM 1760 HB3 GLU A 116 -2.301 -8.572 26.095 1.00 0.00 H ATOM 1761 HG2 GLU A 116 -0.400 -8.014 24.731 1.00 0.00 H ATOM 1762 HG3 GLU A 116 -0.854 -9.257 23.542 1.00 0.00 H ATOM 1763 H GLU A 116 -1.324 -12.201 24.797 1.00 0.00 H ATOM 1764 N VAL A 117 -1.691 -10.318 28.377 1.00 18.90 N ATOM 1765 CA VAL A 117 -2.565 -10.372 29.497 1.00 18.71 C ATOM 1766 C VAL A 117 -3.472 -9.186 29.155 1.00 19.06 C ATOM 1767 O VAL A 117 -2.988 -8.047 29.007 1.00 20.36 O ATOM 1768 CB VAL A 117 -1.776 -10.198 30.837 1.00 18.66 C ATOM 1769 CG1 VAL A 117 -2.762 -9.845 32.036 1.00 19.28 C ATOM 1770 CG2 VAL A 117 -0.969 -11.507 31.192 1.00 14.45 C ATOM 1771 HA VAL A 117 -3.100 -11.309 29.654 1.00 0.00 H ATOM 1772 HB VAL A 117 -1.075 -9.375 30.698 1.00 0.00 H ATOM 1773 HG11 VAL A 117 -3.284 -8.915 31.813 1.00 0.00 H ATOM 1774 HG12 VAL A 117 -3.487 -10.650 32.158 1.00 0.00 H ATOM 1775 HG13 VAL A 117 -2.188 -9.730 32.955 1.00 0.00 H ATOM 1776 HG21 VAL A 117 -1.662 -12.342 31.299 1.00 0.00 H ATOM 1777 HG22 VAL A 117 -0.259 -11.723 30.393 1.00 0.00 H ATOM 1778 HG23 VAL A 117 -0.430 -11.358 32.128 1.00 0.00 H ATOM 1779 H VAL A 117 -0.818 -9.758 28.458 1.00 0.00 H ATOM 1780 N CYS A 118 -4.757 -9.449 28.941 1.00 17.95 N ATOM 1781 CA CYS A 118 -5.601 -8.463 28.298 1.00 17.07 C ATOM 1782 C CYS A 118 -6.964 -8.304 28.988 1.00 18.11 C ATOM 1783 O CYS A 118 -8.011 -8.642 28.379 1.00 19.09 O ATOM 1784 CB CYS A 118 -5.800 -8.835 26.798 1.00 17.63 C ATOM 1785 SG CYS A 118 -6.654 -7.551 25.737 1.00 18.08 S ATOM 1786 HA CYS A 118 -5.092 -7.503 28.380 1.00 0.00 H ATOM 1787 HB2 CYS A 118 -6.393 -9.749 26.757 1.00 0.00 H ATOM 1788 HB3 CYS A 118 -4.816 -9.022 26.368 1.00 0.00 H ATOM 1789 HG CYS A 118 -7.915 -7.305 26.241 1.00 0.00 H ATOM 1790 H CYS A 118 -5.157 -10.363 29.235 1.00 0.00 H ATOM 1791 N PRO A 119 -6.992 -7.675 30.202 1.00 16.78 N ATOM 1792 CA PRO A 119 -8.275 -7.333 30.811 1.00 17.47 C ATOM 1793 C PRO A 119 -9.275 -6.612 29.868 1.00 16.98 C ATOM 1794 O PRO A 119 -8.911 -5.737 29.086 1.00 16.46 O ATOM 1795 CB PRO A 119 -7.863 -6.519 32.097 1.00 15.81 C ATOM 1796 CG PRO A 119 -6.471 -6.030 31.742 1.00 15.92 C ATOM 1797 CD PRO A 119 -5.878 -7.218 31.047 1.00 17.89 C ATOM 1798 HA PRO A 119 -8.862 -8.218 31.058 1.00 0.00 H ATOM 1799 HD3 PRO A 119 -5.016 -6.933 30.444 1.00 0.00 H ATOM 1800 HD2 PRO A 119 -5.583 -7.987 31.761 1.00 0.00 H ATOM 1801 HG3 PRO A 119 -5.904 -5.772 32.636 1.00 0.00 H ATOM 1802 HG2 PRO A 119 -6.514 -5.166 31.079 1.00 0.00 H ATOM 1803 HB2 PRO A 119 -8.542 -5.684 32.270 1.00 0.00 H ATOM 1804 HB3 PRO A 119 -7.843 -7.159 32.979 1.00 0.00 H ATOM 1805 N VAL A 120 -10.547 -6.992 29.969 1.00 17.52 N ATOM 1806 CA VAL A 120 -11.633 -6.497 29.096 1.00 16.20 C ATOM 1807 C VAL A 120 -12.609 -5.623 29.894 1.00 16.20 C ATOM 1808 O VAL A 120 -12.960 -5.969 31.004 1.00 14.65 O ATOM 1809 CB VAL A 120 -12.455 -7.703 28.454 1.00 17.56 C ATOM 1810 CG1 VAL A 120 -13.554 -7.191 27.430 1.00 16.30 C ATOM 1811 CG2 VAL A 120 -11.472 -8.764 27.819 1.00 15.36 C ATOM 1812 HA VAL A 120 -11.166 -5.913 28.303 1.00 0.00 H ATOM 1813 HB VAL A 120 -13.005 -8.206 29.250 1.00 0.00 H ATOM 1814 HG11 VAL A 120 -14.255 -6.537 27.948 1.00 0.00 H ATOM 1815 HG12 VAL A 120 -13.069 -6.640 26.624 1.00 0.00 H ATOM 1816 HG13 VAL A 120 -14.090 -8.045 27.017 1.00 0.00 H ATOM 1817 HG21 VAL A 120 -10.877 -8.286 27.041 1.00 0.00 H ATOM 1818 HG22 VAL A 120 -10.813 -9.156 28.594 1.00 0.00 H ATOM 1819 HG23 VAL A 120 -12.051 -9.580 27.386 1.00 0.00 H ATOM 1820 H VAL A 120 -10.792 -7.681 30.709 1.00 0.00 H ATOM 1821 N PHE A 121 -13.028 -4.510 29.285 1.00 15.12 N ATOM 1822 CA PHE A 121 -13.873 -3.490 29.899 1.00 16.14 C ATOM 1823 C PHE A 121 -15.031 -3.193 28.958 1.00 16.57 C ATOM 1824 O PHE A 121 -15.016 -3.648 27.779 1.00 15.36 O ATOM 1825 CB PHE A 121 -13.091 -2.218 30.199 1.00 15.40 C ATOM 1826 CG PHE A 121 -11.951 -2.443 31.163 1.00 18.44 C ATOM 1827 CD1 PHE A 121 -10.661 -2.738 30.675 1.00 19.33 C ATOM 1828 CD2 PHE A 121 -12.161 -2.422 32.562 1.00 20.26 C ATOM 1829 CE1 PHE A 121 -9.580 -3.018 31.566 1.00 20.71 C ATOM 1830 CE2 PHE A 121 -11.056 -2.712 33.496 1.00 21.06 C ATOM 1831 CZ PHE A 121 -9.775 -3.007 32.948 1.00 19.58 C ATOM 1832 HA PHE A 121 -14.247 -3.865 30.851 1.00 0.00 H ATOM 1833 HB2 PHE A 121 -12.685 -1.830 29.265 1.00 0.00 H ATOM 1834 HB3 PHE A 121 -13.772 -1.484 30.630 1.00 0.00 H ATOM 1835 HD2 PHE A 121 -13.151 -2.189 32.955 1.00 0.00 H ATOM 1836 HE2 PHE A 121 -11.216 -2.701 34.574 1.00 0.00 H ATOM 1837 HZ PHE A 121 -8.940 -3.226 33.613 1.00 0.00 H ATOM 1838 HE1 PHE A 121 -8.593 -3.243 31.162 1.00 0.00 H ATOM 1839 HD1 PHE A 121 -10.486 -2.753 29.599 1.00 0.00 H ATOM 1840 H PHE A 121 -12.730 -4.359 28.300 1.00 0.00 H ATOM 1841 N ALA A 122 -16.033 -2.488 29.489 1.00 16.64 N ATOM 1842 CA ALA A 122 -17.208 -2.028 28.775 1.00 17.49 C ATOM 1843 C ALA A 122 -17.512 -0.600 29.275 1.00 18.82 C ATOM 1844 O ALA A 122 -17.220 -0.237 30.454 1.00 18.55 O ATOM 1845 CB ALA A 122 -18.419 -2.976 29.022 1.00 16.92 C ATOM 1846 HA ALA A 122 -17.027 -2.027 27.700 1.00 0.00 H ATOM 1847 HB1 ALA A 122 -18.170 -3.979 28.676 1.00 0.00 H ATOM 1848 HB2 ALA A 122 -18.646 -3.004 30.088 1.00 0.00 H ATOM 1849 HB3 ALA A 122 -19.286 -2.606 28.474 1.00 0.00 H ATOM 1850 H ALA A 122 -15.965 -2.249 30.499 1.00 0.00 H ATOM 1851 N ALA A 123 -18.069 0.222 28.386 1.00 18.34 N ATOM 1852 CA ALA A 123 -18.455 1.586 28.775 1.00 19.53 C ATOM 1853 C ALA A 123 -19.492 2.096 27.788 1.00 18.81 C ATOM 1854 O ALA A 123 -19.681 1.502 26.742 1.00 19.79 O ATOM 1855 CB ALA A 123 -17.187 2.555 28.853 1.00 17.47 C ATOM 1856 HA ALA A 123 -18.887 1.570 29.775 1.00 0.00 H ATOM 1857 HB1 ALA A 123 -16.483 2.172 29.592 1.00 0.00 H ATOM 1858 HB2 ALA A 123 -16.704 2.598 27.877 1.00 0.00 H ATOM 1859 HB3 ALA A 123 -17.512 3.554 29.143 1.00 0.00 H ATOM 1860 H ALA A 123 -18.231 -0.103 27.412 1.00 0.00 H ATOM 1861 N ARG A 124 -20.163 3.183 28.133 1.00 18.95 N ATOM 1862 CA ARG A 124 -21.055 3.846 27.227 1.00 19.18 C ATOM 1863 C ARG A 124 -20.466 5.155 26.750 1.00 19.11 C ATOM 1864 O ARG A 124 -19.758 5.877 27.485 1.00 19.62 O ATOM 1865 CB ARG A 124 -22.424 4.046 27.856 1.00 20.03 C ATOM 1866 CG ARG A 124 -22.838 2.827 28.712 1.00 26.82 C ATOM 1867 CD ARG A 124 -24.288 2.346 28.543 1.00 37.80 C ATOM 1868 NE ARG A 124 -24.534 1.775 27.213 1.00 41.87 N ATOM 1869 CZ ARG A 124 -25.741 1.487 26.687 1.00 44.11 C ATOM 1870 NH1 ARG A 124 -26.885 1.704 27.337 1.00 42.89 N ATOM 1871 NH2 ARG A 124 -25.804 0.972 25.462 1.00 45.57 N ATOM 1872 HA ARG A 124 -21.187 3.207 26.354 1.00 0.00 H ATOM 1873 HB2 ARG A 124 -22.397 4.932 28.491 1.00 0.00 H ATOM 1874 HB3 ARG A 124 -23.160 4.190 27.065 1.00 0.00 H ATOM 1875 HG2 ARG A 124 -22.179 1.998 28.453 1.00 0.00 H ATOM 1876 HG3 ARG A 124 -22.694 3.091 29.760 1.00 0.00 H ATOM 1877 HD2 ARG A 124 -24.958 3.193 28.691 1.00 0.00 H ATOM 1878 HD3 ARG A 124 -24.495 1.585 29.295 1.00 0.00 H ATOM 1879 HE ARG A 124 -23.701 1.575 26.623 1.00 0.00 H ATOM 1880 HH12 ARG A 124 -27.792 1.465 26.888 1.00 0.00 H ATOM 1881 HH11 ARG A 124 -26.870 2.113 28.293 1.00 0.00 H ATOM 1882 HH22 ARG A 124 -26.727 0.744 25.041 1.00 0.00 H ATOM 1883 HH21 ARG A 124 -24.930 0.798 24.926 1.00 0.00 H ATOM 1884 H ARG A 124 -20.040 3.568 29.091 1.00 0.00 H ATOM 1885 N THR A 125 -20.745 5.485 25.513 1.00 19.39 N ATOM 1886 CA THR A 125 -20.150 6.707 24.929 1.00 20.40 C ATOM 1887 C THR A 125 -21.030 7.836 25.373 1.00 21.10 C ATOM 1888 O THR A 125 -22.195 7.646 25.553 1.00 20.65 O ATOM 1889 CB THR A 125 -20.033 6.615 23.382 1.00 20.29 C ATOM 1890 OG1 THR A 125 -21.321 6.354 22.801 1.00 19.79 O ATOM 1891 CG2 THR A 125 -19.107 5.423 22.988 1.00 18.20 C ATOM 1892 HA THR A 125 -19.125 6.855 25.270 1.00 0.00 H ATOM 1893 HB THR A 125 -19.630 7.561 23.021 1.00 0.00 H ATOM 1894 HG1 THR A 125 -21.232 6.298 21.817 1.00 0.00 H ATOM 1895 HG23 THR A 125 -18.115 5.581 23.410 1.00 0.00 H ATOM 1896 HG21 THR A 125 -19.526 4.495 23.378 1.00 0.00 H ATOM 1897 HG22 THR A 125 -19.036 5.363 21.902 1.00 0.00 H ATOM 1898 H THR A 125 -21.382 4.891 24.945 1.00 0.00 H ATOM 1899 N THR A 126 -20.472 9.019 25.544 1.00 22.88 N ATOM 1900 CA THR A 126 -21.232 10.136 26.051 1.00 22.61 C ATOM 1901 C THR A 126 -21.054 11.376 25.138 1.00 23.42 C ATOM 1902 O THR A 126 -21.607 12.454 25.409 1.00 22.18 O ATOM 1903 CB THR A 126 -20.800 10.514 27.494 1.00 22.61 C ATOM 1904 OG1 THR A 126 -19.491 11.095 27.438 1.00 22.75 O ATOM 1905 CG2 THR A 126 -20.775 9.269 28.436 1.00 20.68 C ATOM 1906 HA THR A 126 -22.278 9.830 26.064 1.00 0.00 H ATOM 1907 HB THR A 126 -21.524 11.221 27.900 1.00 0.00 H ATOM 1908 HG1 THR A 126 -18.856 10.439 27.055 1.00 0.00 H ATOM 1909 HG23 THR A 126 -21.771 8.827 28.479 1.00 0.00 H ATOM 1910 HG21 THR A 126 -20.067 8.536 28.049 1.00 0.00 H ATOM 1911 HG22 THR A 126 -20.470 9.578 29.436 1.00 0.00 H ATOM 1912 H THR A 126 -19.467 9.149 25.309 1.00 0.00 H ATOM 1913 N SER A 127 -20.309 11.223 24.051 1.00 23.70 N ATOM 1914 CA SER A 127 -20.271 12.313 23.060 1.00 23.82 C ATOM 1915 C SER A 127 -20.311 11.672 21.689 1.00 24.57 C ATOM 1916 O SER A 127 -20.367 10.449 21.623 1.00 22.88 O ATOM 1917 CB SER A 127 -19.003 13.122 23.232 1.00 23.38 C ATOM 1918 OG SER A 127 -17.873 12.259 23.236 1.00 24.39 O ATOM 1919 HA SER A 127 -21.116 12.989 23.189 1.00 0.00 H ATOM 1920 HB2 SER A 127 -19.046 13.665 24.176 1.00 0.00 H ATOM 1921 HB3 SER A 127 -18.913 13.832 22.410 1.00 0.00 H ATOM 1922 HG SER A 127 -17.049 12.796 23.349 1.00 0.00 H ATOM 1923 H SER A 127 -19.763 10.351 23.901 1.00 0.00 H ATOM 1924 N ALA A 128 -20.229 12.495 20.617 1.00 24.11 N ATOM 1925 CA ALA A 128 -20.209 12.014 19.251 1.00 23.86 C ATOM 1926 C ALA A 128 -18.812 11.508 18.907 1.00 23.08 C ATOM 1927 O ALA A 128 -17.821 12.032 19.389 1.00 23.60 O ATOM 1928 CB ALA A 128 -20.631 13.176 18.298 1.00 24.39 C ATOM 1929 HA ALA A 128 -20.910 11.188 19.132 1.00 0.00 H ATOM 1930 HB1 ALA A 128 -21.636 13.509 18.557 1.00 0.00 H ATOM 1931 HB2 ALA A 128 -19.932 14.005 18.407 1.00 0.00 H ATOM 1932 HB3 ALA A 128 -20.618 12.822 17.267 1.00 0.00 H ATOM 1933 H ALA A 128 -20.178 13.521 20.782 1.00 0.00 H ATOM 1934 N LEU A 129 -18.725 10.504 18.049 1.00 22.25 N ATOM 1935 CA LEU A 129 -17.447 10.043 17.558 1.00 22.40 C ATOM 1936 C LEU A 129 -16.881 11.103 16.685 1.00 22.59 C ATOM 1937 O LEU A 129 -17.634 11.798 15.973 1.00 21.93 O ATOM 1938 CB LEU A 129 -17.609 8.793 16.682 1.00 21.87 C ATOM 1939 CG LEU A 129 -18.219 7.530 17.317 1.00 22.03 C ATOM 1940 CD1 LEU A 129 -18.288 6.494 16.238 1.00 21.53 C ATOM 1941 CD2 LEU A 129 -17.285 7.063 18.451 1.00 21.14 C ATOM 1942 HA LEU A 129 -16.811 9.815 18.413 1.00 0.00 H ATOM 1943 HB2 LEU A 129 -18.243 9.069 15.839 1.00 0.00 H ATOM 1944 HB3 LEU A 129 -16.618 8.524 16.317 1.00 0.00 H ATOM 1945 HG LEU A 129 -19.212 7.711 17.730 1.00 0.00 H ATOM 1946 HD21 LEU A 129 -16.301 6.839 18.040 1.00 0.00 H ATOM 1947 HD22 LEU A 129 -17.197 7.853 19.197 1.00 0.00 H ATOM 1948 HD23 LEU A 129 -17.699 6.168 18.915 1.00 0.00 H ATOM 1949 HD11 LEU A 129 -18.914 6.860 15.424 1.00 0.00 H ATOM 1950 HD12 LEU A 129 -17.284 6.294 15.864 1.00 0.00 H ATOM 1951 HD13 LEU A 129 -18.716 5.577 16.643 1.00 0.00 H ATOM 1952 H LEU A 129 -19.595 10.037 17.721 1.00 0.00 H ATOM 1953 N GLN A 130 -15.550 11.175 16.719 1.00 22.11 N ATOM 1954 CA GLN A 130 -14.750 11.955 15.823 1.00 23.27 C ATOM 1955 C GLN A 130 -13.559 11.089 15.480 1.00 22.36 C ATOM 1956 O GLN A 130 -12.598 10.997 16.227 1.00 24.16 O ATOM 1957 CB GLN A 130 -14.353 13.298 16.468 1.00 23.95 C ATOM 1958 CG GLN A 130 -13.873 14.314 15.424 1.00 29.93 C ATOM 1959 CD GLN A 130 -13.422 15.583 16.091 1.00 35.32 C ATOM 1960 OE1 GLN A 130 -14.109 16.102 16.956 1.00 36.43 O ATOM 1961 NE2 GLN A 130 -12.241 16.068 15.718 1.00 34.49 N ATOM 1962 HA GLN A 130 -15.290 12.228 14.916 1.00 0.00 H ATOM 1963 HB2 GLN A 130 -15.218 13.709 16.988 1.00 0.00 H ATOM 1964 HB3 GLN A 130 -13.550 13.122 17.184 1.00 0.00 H ATOM 1965 HG2 GLN A 130 -13.041 13.887 14.864 1.00 0.00 H ATOM 1966 HG3 GLN A 130 -14.691 14.539 14.740 1.00 0.00 H ATOM 1967 HE22 GLN A 130 -11.693 15.589 14.975 1.00 0.00 H ATOM 1968 HE21 GLN A 130 -11.865 16.927 16.169 1.00 0.00 H ATOM 1969 H GLN A 130 -15.056 10.624 17.450 1.00 0.00 H ATOM 1970 N ILE A 131 -13.653 10.402 14.361 1.00 22.81 N ATOM 1971 CA ILE A 131 -12.780 9.273 14.041 1.00 22.12 C ATOM 1972 C ILE A 131 -11.386 9.727 13.626 1.00 23.58 C ATOM 1973 O ILE A 131 -11.224 10.622 12.796 1.00 21.95 O ATOM 1974 CB ILE A 131 -13.416 8.409 12.939 1.00 23.37 C ATOM 1975 CG1 ILE A 131 -14.829 7.856 13.366 1.00 22.52 C ATOM 1976 CG2 ILE A 131 -12.442 7.303 12.458 1.00 23.01 C ATOM 1977 CD1 ILE A 131 -14.867 7.009 14.608 1.00 14.25 C ATOM 1978 HA ILE A 131 -12.668 8.676 14.946 1.00 0.00 H ATOM 1979 HB ILE A 131 -13.601 9.049 12.076 1.00 0.00 H ATOM 1980 HG12 ILE A 131 -15.486 8.711 13.527 1.00 0.00 H ATOM 1981 HG13 ILE A 131 -15.213 7.255 12.542 1.00 0.00 H ATOM 1982 HD11 ILE A 131 -14.232 6.134 14.469 1.00 0.00 H ATOM 1983 HD12 ILE A 131 -14.505 7.592 15.455 1.00 0.00 H ATOM 1984 HD13 ILE A 131 -15.892 6.689 14.797 1.00 0.00 H ATOM 1985 HG21 ILE A 131 -11.538 7.764 12.060 1.00 0.00 H ATOM 1986 HG22 ILE A 131 -12.182 6.659 13.298 1.00 0.00 H ATOM 1987 HG23 ILE A 131 -12.923 6.711 11.679 1.00 0.00 H ATOM 1988 H ILE A 131 -14.383 10.675 13.672 1.00 0.00 H ATOM 1989 N ASN A 132 -10.385 9.088 14.239 1.00 23.75 N ATOM 1990 CA ASN A 132 -9.004 9.185 13.871 1.00 25.71 C ATOM 1991 C ASN A 132 -8.667 8.123 12.842 1.00 25.65 C ATOM 1992 O ASN A 132 -8.547 6.941 13.173 1.00 26.54 O ATOM 1993 CB ASN A 132 -8.150 8.984 15.137 1.00 25.73 C ATOM 1994 CG ASN A 132 -6.684 9.179 14.886 1.00 27.47 C ATOM 1995 OD1 ASN A 132 -6.218 9.122 13.743 1.00 25.62 O ATOM 1996 ND2 ASN A 132 -5.940 9.437 15.959 1.00 25.54 N ATOM 1997 HA ASN A 132 -8.800 10.163 13.435 1.00 0.00 H ATOM 1998 HB2 ASN A 132 -8.473 9.700 15.893 1.00 0.00 H ATOM 1999 HB3 ASN A 132 -8.309 7.971 15.507 1.00 0.00 H ATOM 2000 HD22 ASN A 132 -6.380 9.474 16.900 1.00 0.00 H ATOM 2001 HD21 ASN A 132 -4.918 9.601 15.856 1.00 0.00 H ATOM 2002 H ASN A 132 -10.627 8.475 15.043 1.00 0.00 H ATOM 2003 N ASP A 133 -8.501 8.520 11.588 1.00 26.16 N ATOM 2004 CA ASP A 133 -8.372 7.506 10.530 1.00 26.39 C ATOM 2005 C ASP A 133 -6.985 6.915 10.453 1.00 24.44 C ATOM 2006 O ASP A 133 -6.774 6.023 9.680 1.00 24.14 O ATOM 2007 CB ASP A 133 -8.887 8.008 9.157 1.00 26.89 C ATOM 2008 CG ASP A 133 -8.097 9.220 8.638 1.00 30.81 C ATOM 2009 OD1 ASP A 133 -6.957 9.426 9.106 1.00 31.26 O ATOM 2010 OD2 ASP A 133 -8.596 9.953 7.749 1.00 34.08 O ATOM 2011 HA ASP A 133 -9.030 6.686 10.817 1.00 0.00 H ATOM 2012 HB2 ASP A 133 -8.800 7.198 8.433 1.00 0.00 H ATOM 2013 HB3 ASP A 133 -9.935 8.291 9.259 1.00 0.00 H ATOM 2014 H ASP A 133 -8.463 9.533 11.356 1.00 0.00 H ATOM 2015 N ASP A 134 -6.039 7.353 11.291 1.00 24.26 N ATOM 2016 CA ASP A 134 -4.818 6.565 11.474 1.00 23.76 C ATOM 2017 C ASP A 134 -5.070 5.302 12.283 1.00 22.30 C ATOM 2018 O ASP A 134 -4.222 4.422 12.308 1.00 21.44 O ATOM 2019 CB ASP A 134 -3.730 7.371 12.139 1.00 24.55 C ATOM 2020 CG ASP A 134 -3.249 8.516 11.244 1.00 32.44 C ATOM 2021 OD1 ASP A 134 -2.768 8.227 10.092 1.00 34.95 O ATOM 2022 OD2 ASP A 134 -3.383 9.692 11.684 1.00 34.62 O ATOM 2023 HA ASP A 134 -4.490 6.280 10.474 1.00 0.00 H ATOM 2024 HB2 ASP A 134 -4.116 7.787 13.069 1.00 0.00 H ATOM 2025 HB3 ASP A 134 -2.887 6.715 12.358 1.00 0.00 H ATOM 2026 H ASP A 134 -6.169 8.246 11.808 1.00 0.00 H ATOM 2027 N GLU A 135 -6.233 5.199 12.925 1.00 20.07 N ATOM 2028 CA GLU A 135 -6.456 4.048 13.818 1.00 19.94 C ATOM 2029 C GLU A 135 -7.595 3.225 13.319 1.00 17.93 C ATOM 2030 O GLU A 135 -7.568 1.996 13.365 1.00 19.05 O ATOM 2031 CB GLU A 135 -6.711 4.530 15.257 1.00 19.52 C ATOM 2032 CG GLU A 135 -5.534 5.282 15.930 1.00 20.04 C ATOM 2033 CD GLU A 135 -4.306 4.386 16.178 1.00 25.98 C ATOM 2034 OE1 GLU A 135 -4.453 3.163 16.493 1.00 27.27 O ATOM 2035 OE2 GLU A 135 -3.166 4.915 16.030 1.00 29.08 O ATOM 2036 HA GLU A 135 -5.562 3.425 13.824 1.00 0.00 H ATOM 2037 HB2 GLU A 135 -7.571 5.200 15.239 1.00 0.00 H ATOM 2038 HB3 GLU A 135 -6.944 3.657 15.867 1.00 0.00 H ATOM 2039 HG2 GLU A 135 -5.236 6.108 15.285 1.00 0.00 H ATOM 2040 HG3 GLU A 135 -5.876 5.675 16.887 1.00 0.00 H ATOM 2041 H GLU A 135 -6.972 5.920 12.798 1.00 0.00 H ATOM 2042 N VAL A 136 -8.618 3.913 12.836 1.00 18.39 N ATOM 2043 CA VAL A 136 -9.882 3.298 12.475 1.00 17.59 C ATOM 2044 C VAL A 136 -10.199 3.653 11.024 1.00 19.36 C ATOM 2045 O VAL A 136 -10.305 4.851 10.670 1.00 20.20 O ATOM 2046 CB VAL A 136 -11.033 3.782 13.450 1.00 17.51 C ATOM 2047 CG1 VAL A 136 -12.477 3.251 13.040 1.00 14.75 C ATOM 2048 CG2 VAL A 136 -10.713 3.398 14.894 1.00 14.01 C ATOM 2049 HA VAL A 136 -9.811 2.215 12.572 1.00 0.00 H ATOM 2050 HB VAL A 136 -11.068 4.868 13.362 1.00 0.00 H ATOM 2051 HG11 VAL A 136 -12.724 3.608 12.040 1.00 0.00 H ATOM 2052 HG12 VAL A 136 -12.478 2.161 13.048 1.00 0.00 H ATOM 2053 HG13 VAL A 136 -13.215 3.622 13.752 1.00 0.00 H ATOM 2054 HG21 VAL A 136 -10.619 2.315 14.968 1.00 0.00 H ATOM 2055 HG22 VAL A 136 -9.776 3.866 15.194 1.00 0.00 H ATOM 2056 HG23 VAL A 136 -11.517 3.740 15.546 1.00 0.00 H ATOM 2057 H VAL A 136 -8.511 4.940 12.710 1.00 0.00 H ATOM 2058 N MET A 137 -10.456 2.622 10.217 1.00 18.19 N ATOM 2059 CA MET A 137 -10.844 2.841 8.819 1.00 18.22 C ATOM 2060 C MET A 137 -12.358 2.698 8.573 1.00 18.00 C ATOM 2061 O MET A 137 -12.877 3.106 7.554 1.00 17.15 O ATOM 2062 CB MET A 137 -10.020 1.927 7.878 1.00 17.79 C ATOM 2063 CG MET A 137 -10.250 0.422 8.094 1.00 15.59 C ATOM 2064 SD MET A 137 -9.338 -0.592 6.905 1.00 19.87 S ATOM 2065 CE MET A 137 -9.746 0.163 5.337 1.00 17.74 C ATOM 2066 HA MET A 137 -10.611 3.880 8.587 1.00 0.00 H ATOM 2067 HB2 MET A 137 -10.286 2.169 6.849 1.00 0.00 H ATOM 2068 HB3 MET A 137 -8.962 2.137 8.038 1.00 0.00 H ATOM 2069 HG2 MET A 137 -11.314 0.212 7.990 1.00 0.00 H ATOM 2070 HG3 MET A 137 -9.925 0.159 9.101 1.00 0.00 H ATOM 2071 HE1 MET A 137 -10.824 0.121 5.184 1.00 0.00 H ATOM 2072 HE2 MET A 137 -9.419 1.203 5.340 1.00 0.00 H ATOM 2073 HE3 MET A 137 -9.243 -0.376 4.534 1.00 0.00 H ATOM 2074 H MET A 137 -10.380 1.652 10.583 1.00 0.00 H ATOM 2075 N ASP A 138 -13.095 2.140 9.508 1.00 18.63 N ATOM 2076 CA ASP A 138 -14.515 1.809 9.238 1.00 19.29 C ATOM 2077 C ASP A 138 -15.130 1.527 10.616 1.00 19.06 C ATOM 2078 O ASP A 138 -14.407 1.082 11.531 1.00 19.68 O ATOM 2079 CB ASP A 138 -14.684 0.571 8.253 1.00 18.07 C ATOM 2080 CG ASP A 138 -16.131 0.517 7.523 1.00 19.23 C ATOM 2081 OD1 ASP A 138 -17.034 1.291 7.897 1.00 20.35 O ATOM 2082 OD2 ASP A 138 -16.355 -0.263 6.550 1.00 20.15 O ATOM 2083 HA ASP A 138 -15.016 2.630 8.726 1.00 0.00 H ATOM 2084 HB2 ASP A 138 -13.912 0.633 7.486 1.00 0.00 H ATOM 2085 HB3 ASP A 138 -14.552 -0.347 8.826 1.00 0.00 H ATOM 2086 H ASP A 138 -12.681 1.930 10.439 1.00 0.00 H ATOM 2087 N TYR A 139 -16.395 1.867 10.800 1.00 17.73 N ATOM 2088 CA TYR A 139 -17.084 1.409 12.004 1.00 18.94 C ATOM 2089 C TYR A 139 -18.538 1.162 11.762 1.00 18.85 C ATOM 2090 O TYR A 139 -19.110 1.551 10.754 1.00 18.62 O ATOM 2091 CB TYR A 139 -16.901 2.382 13.177 1.00 18.73 C ATOM 2092 CG TYR A 139 -17.637 3.693 13.001 1.00 21.41 C ATOM 2093 CD1 TYR A 139 -18.973 3.806 13.380 1.00 21.41 C ATOM 2094 CD2 TYR A 139 -17.008 4.812 12.407 1.00 20.09 C ATOM 2095 CE1 TYR A 139 -19.647 4.970 13.256 1.00 19.69 C ATOM 2096 CE2 TYR A 139 -17.708 6.000 12.268 1.00 19.84 C ATOM 2097 CZ TYR A 139 -19.018 6.053 12.694 1.00 18.58 C ATOM 2098 OH TYR A 139 -19.747 7.194 12.566 1.00 21.71 O ATOM 2099 HA TYR A 139 -16.620 0.460 12.273 1.00 0.00 H ATOM 2100 HB3 TYR A 139 -15.838 2.596 13.284 1.00 0.00 H ATOM 2101 HB2 TYR A 139 -17.267 1.901 14.084 1.00 0.00 H ATOM 2102 HD2 TYR A 139 -15.977 4.740 12.060 1.00 0.00 H ATOM 2103 HE2 TYR A 139 -17.231 6.877 11.830 1.00 0.00 H ATOM 2104 HE1 TYR A 139 -20.679 5.048 13.598 1.00 0.00 H ATOM 2105 HD1 TYR A 139 -19.486 2.934 13.786 1.00 0.00 H ATOM 2106 HH TYR A 139 -20.658 7.044 12.924 1.00 0.00 H ATOM 2107 H TYR A 139 -16.892 2.452 10.098 1.00 0.00 H ATOM 2108 N GLN A 140 -19.148 0.491 12.708 1.00 19.64 N ATOM 2109 CA GLN A 140 -20.534 0.211 12.589 1.00 20.53 C ATOM 2110 C GLN A 140 -21.145 0.203 14.013 1.00 19.14 C ATOM 2111 O GLN A 140 -20.542 -0.288 14.949 1.00 17.42 O ATOM 2112 CB GLN A 140 -20.732 -1.133 11.833 1.00 21.43 C ATOM 2113 CG GLN A 140 -22.170 -1.699 11.948 1.00 28.10 C ATOM 2114 CD GLN A 140 -23.086 -1.312 10.773 1.00 33.87 C ATOM 2115 OE1 GLN A 140 -24.303 -1.576 10.803 1.00 36.54 O ATOM 2116 NE2 GLN A 140 -22.516 -0.691 9.755 1.00 32.83 N ATOM 2117 HA GLN A 140 -21.049 0.973 12.004 1.00 0.00 H ATOM 2118 HB2 GLN A 140 -20.507 -0.973 10.779 1.00 0.00 H ATOM 2119 HB3 GLN A 140 -20.038 -1.866 12.244 1.00 0.00 H ATOM 2120 HG2 GLN A 140 -22.109 -2.786 11.993 1.00 0.00 H ATOM 2121 HG3 GLN A 140 -22.615 -1.323 12.869 1.00 0.00 H ATOM 2122 HE22 GLN A 140 -21.496 -0.491 9.773 1.00 0.00 H ATOM 2123 HE21 GLN A 140 -23.088 -0.402 8.936 1.00 0.00 H ATOM 2124 H GLN A 140 -18.619 0.165 13.542 1.00 0.00 H ATOM 2125 N TRP A 141 -22.339 0.763 14.143 1.00 19.56 N ATOM 2126 CA TRP A 141 -23.198 0.563 15.366 1.00 20.66 C ATOM 2127 C TRP A 141 -24.095 -0.575 15.137 1.00 20.76 C ATOM 2128 O TRP A 141 -24.879 -0.557 14.159 1.00 21.46 O ATOM 2129 CB TRP A 141 -24.037 1.797 15.619 1.00 19.80 C ATOM 2130 CG TRP A 141 -23.217 3.002 16.055 1.00 22.00 C ATOM 2131 CD1 TRP A 141 -22.989 4.156 15.332 1.00 21.57 C ATOM 2132 CD2 TRP A 141 -22.601 3.199 17.341 1.00 23.00 C ATOM 2133 NE1 TRP A 141 -22.243 5.048 16.098 1.00 23.92 N ATOM 2134 CE2 TRP A 141 -21.991 4.479 17.329 1.00 25.34 C ATOM 2135 CE3 TRP A 141 -22.508 2.419 18.511 1.00 25.93 C ATOM 2136 CZ2 TRP A 141 -21.300 5.002 18.458 1.00 22.45 C ATOM 2137 CZ3 TRP A 141 -21.768 2.923 19.606 1.00 23.01 C ATOM 2138 CH2 TRP A 141 -21.189 4.204 19.562 1.00 21.38 C ATOM 2139 HA TRP A 141 -22.556 0.378 16.227 1.00 0.00 H ATOM 2140 HB2 TRP A 141 -24.565 2.051 14.700 1.00 0.00 H ATOM 2141 HB3 TRP A 141 -24.761 1.569 16.401 1.00 0.00 H ATOM 2142 HE1 TRP A 141 -21.927 5.990 15.792 1.00 0.00 H ATOM 2143 HD1 TRP A 141 -23.340 4.341 14.317 1.00 0.00 H ATOM 2144 HZ2 TRP A 141 -20.874 6.005 18.443 1.00 0.00 H ATOM 2145 HH2 TRP A 141 -20.639 4.569 20.429 1.00 0.00 H ATOM 2146 HZ3 TRP A 141 -21.645 2.309 20.498 1.00 0.00 H ATOM 2147 HE3 TRP A 141 -22.997 1.447 18.571 1.00 0.00 H ATOM 2148 H TRP A 141 -22.697 1.363 13.373 1.00 0.00 H ATOM 2149 N CYS A 142 -24.012 -1.576 15.985 1.00 21.11 N ATOM 2150 CA CYS A 142 -25.012 -2.622 15.865 1.00 24.44 C ATOM 2151 C CYS A 142 -25.532 -3.351 17.125 1.00 23.55 C ATOM 2152 O CYS A 142 -25.124 -3.109 18.249 1.00 23.15 O ATOM 2153 CB CYS A 142 -24.606 -3.647 14.791 1.00 26.97 C ATOM 2154 SG CYS A 142 -22.921 -3.877 14.658 1.00 35.14 S ATOM 2155 HA CYS A 142 -25.884 -2.032 15.582 1.00 0.00 H ATOM 2156 HB2 CYS A 142 -24.983 -3.303 13.828 1.00 0.00 H ATOM 2157 HB3 CYS A 142 -25.065 -4.604 15.039 1.00 0.00 H ATOM 2158 HG CYS A 142 -22.662 -4.809 13.674 1.00 0.00 H ATOM 2159 H CYS A 142 -23.265 -1.617 16.708 1.00 0.00 H ATOM 2160 N ASP A 143 -26.462 -4.245 16.880 1.00 22.74 N ATOM 2161 CA ASP A 143 -26.984 -5.131 17.886 1.00 23.42 C ATOM 2162 C ASP A 143 -25.878 -6.096 18.319 1.00 21.79 C ATOM 2163 O ASP A 143 -25.320 -6.834 17.503 1.00 20.66 O ATOM 2164 CB ASP A 143 -28.197 -5.878 17.297 1.00 24.13 C ATOM 2165 CG ASP A 143 -28.979 -6.633 18.353 1.00 30.40 C ATOM 2166 OD1 ASP A 143 -28.882 -6.213 19.517 1.00 34.85 O ATOM 2167 OD2 ASP A 143 -29.741 -7.620 18.050 1.00 35.46 O ATOM 2168 HA ASP A 143 -27.314 -4.580 18.767 1.00 0.00 H ATOM 2169 HB2 ASP A 143 -28.858 -5.153 16.823 1.00 0.00 H ATOM 2170 HB3 ASP A 143 -27.842 -6.588 16.550 1.00 0.00 H ATOM 2171 H ASP A 143 -26.839 -4.316 15.913 1.00 0.00 H ATOM 2172 N LEU A 144 -25.583 -6.093 19.613 1.00 21.55 N ATOM 2173 CA LEU A 144 -24.750 -7.116 20.250 1.00 22.10 C ATOM 2174 C LEU A 144 -24.988 -8.563 19.773 1.00 21.16 C ATOM 2175 O LEU A 144 -24.009 -9.256 19.483 1.00 22.41 O ATOM 2176 CB LEU A 144 -24.855 -7.046 21.802 1.00 20.81 C ATOM 2177 CG LEU A 144 -23.875 -7.970 22.547 1.00 23.32 C ATOM 2178 CD1 LEU A 144 -22.460 -7.765 22.027 1.00 17.26 C ATOM 2179 CD2 LEU A 144 -23.941 -7.901 24.145 1.00 21.00 C ATOM 2180 HA LEU A 144 -23.739 -6.867 19.927 1.00 0.00 H ATOM 2181 HB2 LEU A 144 -24.659 -6.019 22.111 1.00 0.00 H ATOM 2182 HB3 LEU A 144 -25.870 -7.323 22.088 1.00 0.00 H ATOM 2183 HG LEU A 144 -24.204 -8.985 22.322 1.00 0.00 H ATOM 2184 HD21 LEU A 144 -23.717 -6.886 24.473 1.00 0.00 H ATOM 2185 HD22 LEU A 144 -24.941 -8.180 24.478 1.00 0.00 H ATOM 2186 HD23 LEU A 144 -23.210 -8.591 24.568 1.00 0.00 H ATOM 2187 HD11 LEU A 144 -22.429 -7.995 20.962 1.00 0.00 H ATOM 2188 HD12 LEU A 144 -22.163 -6.728 22.185 1.00 0.00 H ATOM 2189 HD13 LEU A 144 -21.778 -8.425 22.563 1.00 0.00 H ATOM 2190 H LEU A 144 -25.962 -5.326 20.204 1.00 0.00 H ATOM 2191 N ALA A 145 -26.241 -9.012 19.763 1.00 20.46 N ATOM 2192 CA ALA A 145 -26.618 -10.405 19.418 1.00 22.28 C ATOM 2193 C ALA A 145 -26.245 -10.740 17.950 1.00 21.92 C ATOM 2194 O ALA A 145 -25.674 -11.773 17.686 1.00 22.19 O ATOM 2195 CB ALA A 145 -28.166 -10.676 19.657 1.00 21.95 C ATOM 2196 HA ALA A 145 -26.052 -11.057 20.083 1.00 0.00 H ATOM 2197 HB1 ALA A 145 -28.405 -10.507 20.707 1.00 0.00 H ATOM 2198 HB2 ALA A 145 -28.752 -9.999 19.036 1.00 0.00 H ATOM 2199 HB3 ALA A 145 -28.398 -11.707 19.392 1.00 0.00 H ATOM 2200 H ALA A 145 -27.001 -8.347 20.012 1.00 0.00 H ATOM 2201 N ASP A 146 -26.489 -9.795 17.040 1.00 21.15 N ATOM 2202 CA ASP A 146 -26.040 -9.880 15.656 1.00 20.15 C ATOM 2203 C ASP A 146 -24.537 -10.132 15.604 1.00 19.10 C ATOM 2204 O ASP A 146 -24.022 -11.024 14.887 1.00 19.90 O ATOM 2205 CB ASP A 146 -26.430 -8.563 14.931 1.00 19.91 C ATOM 2206 CG ASP A 146 -27.899 -8.541 14.484 1.00 21.17 C ATOM 2207 OD1 ASP A 146 -28.492 -9.623 14.420 1.00 21.05 O ATOM 2208 OD2 ASP A 146 -28.446 -7.452 14.146 1.00 22.36 O ATOM 2209 HA ASP A 146 -26.521 -10.717 15.150 1.00 0.00 H ATOM 2210 HB2 ASP A 146 -26.260 -7.728 15.610 1.00 0.00 H ATOM 2211 HB3 ASP A 146 -25.796 -8.449 14.051 1.00 0.00 H ATOM 2212 H ASP A 146 -27.027 -8.955 17.333 1.00 0.00 H ATOM 2213 N VAL A 147 -23.801 -9.369 16.387 1.00 18.74 N ATOM 2214 CA VAL A 147 -22.307 -9.467 16.356 1.00 18.49 C ATOM 2215 C VAL A 147 -21.825 -10.815 16.937 1.00 18.71 C ATOM 2216 O VAL A 147 -20.911 -11.424 16.402 1.00 20.52 O ATOM 2217 CB VAL A 147 -21.606 -8.213 17.095 1.00 18.57 C ATOM 2218 CG1 VAL A 147 -20.104 -8.402 17.219 1.00 15.26 C ATOM 2219 CG2 VAL A 147 -21.880 -6.941 16.367 1.00 18.08 C ATOM 2220 HA VAL A 147 -21.999 -9.429 15.311 1.00 0.00 H ATOM 2221 HB VAL A 147 -22.036 -8.158 18.095 1.00 0.00 H ATOM 2222 HG11 VAL A 147 -19.899 -9.302 17.799 1.00 0.00 H ATOM 2223 HG12 VAL A 147 -19.668 -8.502 16.225 1.00 0.00 H ATOM 2224 HG13 VAL A 147 -19.671 -7.537 17.721 1.00 0.00 H ATOM 2225 HG21 VAL A 147 -21.488 -7.013 15.352 1.00 0.00 H ATOM 2226 HG22 VAL A 147 -22.956 -6.769 16.331 1.00 0.00 H ATOM 2227 HG23 VAL A 147 -21.396 -6.115 16.887 1.00 0.00 H ATOM 2228 H VAL A 147 -24.261 -8.694 17.031 1.00 0.00 H ATOM 2229 N LEU A 148 -22.387 -11.226 18.076 1.00 18.85 N ATOM 2230 CA LEU A 148 -22.092 -12.577 18.643 1.00 18.38 C ATOM 2231 C LEU A 148 -22.479 -13.717 17.695 1.00 18.56 C ATOM 2232 O LEU A 148 -21.818 -14.744 17.721 1.00 20.15 O ATOM 2233 CB LEU A 148 -22.838 -12.791 19.956 1.00 16.20 C ATOM 2234 CG LEU A 148 -22.521 -11.725 21.016 1.00 18.46 C ATOM 2235 CD1 LEU A 148 -23.541 -11.812 22.190 1.00 13.52 C ATOM 2236 CD2 LEU A 148 -21.040 -11.744 21.535 1.00 17.13 C ATOM 2237 HA LEU A 148 -21.014 -12.600 18.801 1.00 0.00 H ATOM 2238 HB2 LEU A 148 -23.909 -12.770 19.753 1.00 0.00 H ATOM 2239 HB3 LEU A 148 -22.564 -13.768 20.355 1.00 0.00 H ATOM 2240 HG LEU A 148 -22.625 -10.762 20.517 1.00 0.00 H ATOM 2241 HD21 LEU A 148 -20.827 -12.713 21.985 1.00 0.00 H ATOM 2242 HD22 LEU A 148 -20.361 -11.573 20.699 1.00 0.00 H ATOM 2243 HD23 LEU A 148 -20.907 -10.959 22.279 1.00 0.00 H ATOM 2244 HD11 LEU A 148 -24.548 -11.647 21.808 1.00 0.00 H ATOM 2245 HD12 LEU A 148 -23.482 -12.799 22.648 1.00 0.00 H ATOM 2246 HD13 LEU A 148 -23.304 -11.051 22.933 1.00 0.00 H ATOM 2247 H LEU A 148 -23.043 -10.594 18.578 1.00 0.00 H ATOM 2248 N HIS A 149 -23.540 -13.555 16.895 1.00 18.56 N ATOM 2249 CA HIS A 149 -23.876 -14.562 15.834 1.00 20.79 C ATOM 2250 C HIS A 149 -22.864 -14.592 14.667 1.00 20.17 C ATOM 2251 O HIS A 149 -22.592 -15.663 14.182 1.00 21.58 O ATOM 2252 CB HIS A 149 -25.245 -14.340 15.152 1.00 20.54 C ATOM 2253 CG HIS A 149 -26.425 -14.375 16.058 1.00 27.12 C ATOM 2254 ND1 HIS A 149 -27.542 -13.585 15.827 1.00 28.26 N ATOM 2255 CD2 HIS A 149 -26.663 -15.064 17.200 1.00 28.24 C ATOM 2256 CE1 HIS A 149 -28.423 -13.807 16.787 1.00 31.10 C ATOM 2257 NE2 HIS A 149 -27.923 -14.715 17.614 1.00 33.30 N ATOM 2258 HA HIS A 149 -23.868 -15.490 16.406 1.00 0.00 H ATOM 2259 HB2 HIS A 149 -25.224 -13.365 14.665 1.00 0.00 H ATOM 2260 HB3 HIS A 149 -25.376 -15.118 14.400 1.00 0.00 H ATOM 2261 HD2 HIS A 149 -25.985 -15.760 17.694 1.00 0.00 H ATOM 2262 HE1 HIS A 149 -29.396 -13.325 16.883 1.00 0.00 H ATOM 2263 H HIS A 149 -24.143 -12.716 17.011 1.00 0.00 H ATOM 2264 N GLY A 150 -22.427 -13.423 14.158 1.00 20.18 N ATOM 2265 CA GLY A 150 -21.336 -13.339 13.195 1.00 19.69 C ATOM 2266 C GLY A 150 -20.058 -13.959 13.754 1.00 20.27 C ATOM 2267 O GLY A 150 -19.449 -14.839 13.138 1.00 18.88 O ATOM 2268 HA3 GLY A 150 -21.150 -12.291 12.959 1.00 0.00 H ATOM 2269 HA2 GLY A 150 -21.621 -13.870 12.287 1.00 0.00 H ATOM 2270 H GLY A 150 -22.888 -12.543 14.466 1.00 0.00 H ATOM 2271 N ILE A 151 -19.650 -13.530 14.946 1.00 19.66 N ATOM 2272 CA ILE A 151 -18.559 -14.192 15.612 1.00 18.90 C ATOM 2273 C ILE A 151 -18.656 -15.738 15.703 1.00 20.12 C ATOM 2274 O ILE A 151 -17.673 -16.387 15.437 1.00 19.38 O ATOM 2275 CB ILE A 151 -18.289 -13.581 17.041 1.00 19.23 C ATOM 2276 CG1 ILE A 151 -17.724 -12.144 16.926 1.00 19.95 C ATOM 2277 CG2 ILE A 151 -17.361 -14.511 17.904 1.00 15.40 C ATOM 2278 CD1 ILE A 151 -17.687 -11.329 18.272 1.00 19.11 C ATOM 2279 HA ILE A 151 -17.711 -13.997 14.956 1.00 0.00 H ATOM 2280 HB ILE A 151 -19.243 -13.519 17.565 1.00 0.00 H ATOM 2281 HG12 ILE A 151 -16.705 -12.211 16.544 1.00 0.00 H ATOM 2282 HG13 ILE A 151 -18.341 -11.594 16.215 1.00 0.00 H ATOM 2283 HD11 ILE A 151 -18.699 -11.235 18.666 1.00 0.00 H ATOM 2284 HD12 ILE A 151 -17.061 -11.852 18.995 1.00 0.00 H ATOM 2285 HD13 ILE A 151 -17.275 -10.337 18.084 1.00 0.00 H ATOM 2286 HG21 ILE A 151 -17.839 -15.483 18.030 1.00 0.00 H ATOM 2287 HG22 ILE A 151 -16.404 -14.638 17.398 1.00 0.00 H ATOM 2288 HG23 ILE A 151 -17.199 -14.055 18.881 1.00 0.00 H ATOM 2289 H ILE A 151 -20.119 -12.718 15.396 1.00 0.00 H ATOM 2290 N ASP A 152 -19.780 -16.315 16.172 1.00 21.57 N ATOM 2291 CA ASP A 152 -19.926 -17.806 16.261 1.00 22.93 C ATOM 2292 C ASP A 152 -19.985 -18.466 14.852 1.00 24.03 C ATOM 2293 O ASP A 152 -19.785 -19.653 14.722 1.00 23.52 O ATOM 2294 CB ASP A 152 -21.253 -18.219 17.023 1.00 23.30 C ATOM 2295 CG ASP A 152 -21.309 -17.648 18.442 1.00 24.75 C ATOM 2296 OD1 ASP A 152 -20.221 -17.329 19.026 1.00 23.05 O ATOM 2297 OD2 ASP A 152 -22.415 -17.497 18.968 1.00 21.95 O ATOM 2298 HA ASP A 152 -19.049 -18.154 16.806 1.00 0.00 H ATOM 2299 HB2 ASP A 152 -22.110 -17.848 16.461 1.00 0.00 H ATOM 2300 HB3 ASP A 152 -21.301 -19.306 17.080 1.00 0.00 H ATOM 2301 H ASP A 152 -20.568 -15.710 16.481 1.00 0.00 H ATOM 2302 N ALA A 153 -20.299 -17.691 13.815 1.00 23.53 N ATOM 2303 CA ALA A 153 -20.578 -18.315 12.506 1.00 23.70 C ATOM 2304 C ALA A 153 -19.365 -18.183 11.649 1.00 23.66 C ATOM 2305 O ALA A 153 -18.895 -19.156 10.991 1.00 25.63 O ATOM 2306 CB ALA A 153 -21.795 -17.628 11.842 1.00 23.47 C ATOM 2307 HA ALA A 153 -20.817 -19.371 12.636 1.00 0.00 H ATOM 2308 HB1 ALA A 153 -22.668 -17.737 12.486 1.00 0.00 H ATOM 2309 HB2 ALA A 153 -21.579 -16.570 11.697 1.00 0.00 H ATOM 2310 HB3 ALA A 153 -21.993 -18.095 10.877 1.00 0.00 H ATOM 2311 H ALA A 153 -20.347 -16.658 13.926 1.00 0.00 H ATOM 2312 N THR A 154 -18.805 -16.982 11.675 1.00 22.77 N ATOM 2313 CA THR A 154 -17.596 -16.687 10.903 1.00 22.33 C ATOM 2314 C THR A 154 -16.488 -16.012 11.762 1.00 22.42 C ATOM 2315 O THR A 154 -16.134 -14.823 11.529 1.00 22.05 O ATOM 2316 CB THR A 154 -17.928 -15.866 9.604 1.00 20.66 C ATOM 2317 OG1 THR A 154 -18.630 -14.693 9.984 1.00 22.62 O ATOM 2318 CG2 THR A 154 -18.859 -16.691 8.657 1.00 18.48 C ATOM 2319 HA THR A 154 -17.184 -17.644 10.582 1.00 0.00 H ATOM 2320 HB THR A 154 -16.998 -15.630 9.087 1.00 0.00 H ATOM 2321 HG1 THR A 154 -18.064 -14.153 10.591 1.00 0.00 H ATOM 2322 HG23 THR A 154 -18.345 -17.601 8.347 1.00 0.00 H ATOM 2323 HG21 THR A 154 -19.775 -16.952 9.187 1.00 0.00 H ATOM 2324 HG22 THR A 154 -19.103 -16.093 7.779 1.00 0.00 H ATOM 2325 H THR A 154 -19.233 -16.233 12.256 1.00 0.00 H ATOM 2326 N PRO A 155 -15.895 -16.786 12.718 1.00 22.47 N ATOM 2327 CA PRO A 155 -14.852 -16.167 13.584 1.00 21.54 C ATOM 2328 C PRO A 155 -13.654 -15.568 12.836 1.00 20.83 C ATOM 2329 O PRO A 155 -13.000 -14.655 13.320 1.00 20.23 O ATOM 2330 CB PRO A 155 -14.370 -17.341 14.469 1.00 21.32 C ATOM 2331 CG PRO A 155 -14.800 -18.571 13.774 1.00 20.97 C ATOM 2332 CD PRO A 155 -16.104 -18.210 13.061 1.00 22.01 C ATOM 2333 HA PRO A 155 -15.277 -15.319 14.121 1.00 0.00 H ATOM 2334 HD3 PRO A 155 -16.245 -18.815 12.165 1.00 0.00 H ATOM 2335 HD2 PRO A 155 -16.962 -18.335 13.721 1.00 0.00 H ATOM 2336 HG3 PRO A 155 -14.969 -19.374 14.492 1.00 0.00 H ATOM 2337 HG2 PRO A 155 -14.046 -18.883 13.052 1.00 0.00 H ATOM 2338 HB2 PRO A 155 -13.285 -17.321 14.569 1.00 0.00 H ATOM 2339 HB3 PRO A 155 -14.826 -17.284 15.457 1.00 0.00 H ATOM 2340 N TRP A 156 -13.310 -16.115 11.684 1.00 20.19 N ATOM 2341 CA TRP A 156 -12.148 -15.657 11.029 1.00 19.85 C ATOM 2342 C TRP A 156 -12.422 -14.292 10.432 1.00 20.45 C ATOM 2343 O TRP A 156 -11.482 -13.643 9.936 1.00 21.51 O ATOM 2344 CB TRP A 156 -11.752 -16.676 9.985 1.00 21.23 C ATOM 2345 CG TRP A 156 -12.945 -17.277 9.375 1.00 21.46 C ATOM 2346 CD1 TRP A 156 -13.540 -18.492 9.708 1.00 21.24 C ATOM 2347 CD2 TRP A 156 -13.768 -16.676 8.366 1.00 18.76 C ATOM 2348 NE1 TRP A 156 -14.699 -18.662 8.945 1.00 21.08 N ATOM 2349 CE2 TRP A 156 -14.836 -17.590 8.096 1.00 23.11 C ATOM 2350 CE3 TRP A 156 -13.686 -15.463 7.626 1.00 21.92 C ATOM 2351 CZ2 TRP A 156 -15.802 -17.341 7.105 1.00 22.15 C ATOM 2352 CZ3 TRP A 156 -14.650 -15.194 6.663 1.00 19.75 C ATOM 2353 CH2 TRP A 156 -15.714 -16.121 6.424 1.00 22.42 C ATOM 2354 HA TRP A 156 -11.316 -15.547 11.724 1.00 0.00 H ATOM 2355 HB2 TRP A 156 -11.161 -16.186 9.211 1.00 0.00 H ATOM 2356 HB3 TRP A 156 -11.156 -17.458 10.455 1.00 0.00 H ATOM 2357 HE1 TRP A 156 -15.352 -19.469 9.009 1.00 0.00 H ATOM 2358 HD1 TRP A 156 -13.162 -19.198 10.447 1.00 0.00 H ATOM 2359 HZ2 TRP A 156 -16.584 -18.065 6.877 1.00 0.00 H ATOM 2360 HH2 TRP A 156 -16.479 -15.869 5.689 1.00 0.00 H ATOM 2361 HZ3 TRP A 156 -14.596 -14.271 6.086 1.00 0.00 H ATOM 2362 HE3 TRP A 156 -12.878 -14.755 7.812 1.00 0.00 H ATOM 2363 H TRP A 156 -13.888 -16.872 11.266 1.00 0.00 H ATOM 2364 N ALA A 157 -13.676 -13.835 10.454 1.00 19.80 N ATOM 2365 CA ALA A 157 -13.921 -12.485 9.949 1.00 21.47 C ATOM 2366 C ALA A 157 -13.624 -11.362 10.927 1.00 21.57 C ATOM 2367 O ALA A 157 -13.689 -10.212 10.514 1.00 22.91 O ATOM 2368 CB ALA A 157 -15.254 -12.340 9.361 1.00 20.00 C ATOM 2369 HA ALA A 157 -13.182 -12.371 9.156 1.00 0.00 H ATOM 2370 HB1 ALA A 157 -15.360 -13.035 8.528 1.00 0.00 H ATOM 2371 HB2 ALA A 157 -16.009 -12.559 10.116 1.00 0.00 H ATOM 2372 HB3 ALA A 157 -15.382 -11.319 9.002 1.00 0.00 H ATOM 2373 H ALA A 157 -14.454 -14.421 10.819 1.00 0.00 H ATOM 2374 N PHE A 158 -13.185 -11.688 12.161 1.00 20.70 N ATOM 2375 CA PHE A 158 -12.981 -10.735 13.285 1.00 18.37 C ATOM 2376 C PHE A 158 -11.603 -10.971 13.925 1.00 19.53 C ATOM 2377 O PHE A 158 -10.923 -11.940 13.564 1.00 17.05 O ATOM 2378 CB PHE A 158 -14.096 -10.943 14.341 1.00 19.53 C ATOM 2379 CG PHE A 158 -15.480 -10.924 13.738 1.00 19.79 C ATOM 2380 CD1 PHE A 158 -16.058 -9.696 13.348 1.00 19.92 C ATOM 2381 CD2 PHE A 158 -16.169 -12.123 13.448 1.00 17.57 C ATOM 2382 CE1 PHE A 158 -17.302 -9.630 12.728 1.00 20.67 C ATOM 2383 CE2 PHE A 158 -17.447 -12.060 12.834 1.00 19.89 C ATOM 2384 CZ PHE A 158 -17.994 -10.771 12.455 1.00 21.40 C ATOM 2385 HA PHE A 158 -13.025 -9.713 12.908 1.00 0.00 H ATOM 2386 HB2 PHE A 158 -13.941 -11.906 14.828 1.00 0.00 H ATOM 2387 HB3 PHE A 158 -14.027 -10.147 15.083 1.00 0.00 H ATOM 2388 HD2 PHE A 158 -15.723 -13.087 13.693 1.00 0.00 H ATOM 2389 HE2 PHE A 158 -18.013 -12.973 12.649 1.00 0.00 H ATOM 2390 HZ PHE A 158 -18.959 -10.716 11.952 1.00 0.00 H ATOM 2391 HE1 PHE A 158 -17.724 -8.662 12.460 1.00 0.00 H ATOM 2392 HD1 PHE A 158 -15.513 -8.771 13.538 1.00 0.00 H ATOM 2393 H PHE A 158 -12.971 -12.690 12.341 1.00 0.00 H ATOM 2394 N SER A 159 -11.147 -10.068 14.821 1.00 18.49 N ATOM 2395 CA SER A 159 -9.826 -10.251 15.440 1.00 18.38 C ATOM 2396 C SER A 159 -9.877 -11.447 16.393 1.00 18.20 C ATOM 2397 O SER A 159 -10.894 -11.748 16.954 1.00 18.84 O ATOM 2398 CB SER A 159 -9.379 -8.997 16.229 1.00 18.70 C ATOM 2399 OG SER A 159 -10.300 -8.736 17.280 1.00 17.27 O ATOM 2400 HA SER A 159 -9.104 -10.423 14.641 1.00 0.00 H ATOM 2401 HB2 SER A 159 -9.344 -8.140 15.557 1.00 0.00 H ATOM 2402 HB3 SER A 159 -8.388 -9.168 16.650 1.00 0.00 H ATOM 2403 HG SER A 159 -10.009 -7.933 17.781 1.00 0.00 H ATOM 2404 H SER A 159 -11.730 -9.244 15.072 1.00 0.00 H ATOM 2405 N PRO A 160 -8.775 -12.166 16.530 1.00 19.40 N ATOM 2406 CA PRO A 160 -8.756 -13.290 17.453 1.00 19.83 C ATOM 2407 C PRO A 160 -9.082 -12.944 18.874 1.00 19.37 C ATOM 2408 O PRO A 160 -9.708 -13.754 19.515 1.00 19.03 O ATOM 2409 CB PRO A 160 -7.303 -13.788 17.376 1.00 20.49 C ATOM 2410 CG PRO A 160 -6.724 -13.122 16.129 1.00 16.77 C ATOM 2411 CD PRO A 160 -7.516 -12.018 15.735 1.00 18.75 C ATOM 2412 HA PRO A 160 -9.519 -14.016 17.171 1.00 0.00 H ATOM 2413 HD3 PRO A 160 -7.016 -11.079 15.973 1.00 0.00 H ATOM 2414 HD2 PRO A 160 -7.727 -12.055 14.666 1.00 0.00 H ATOM 2415 HG3 PRO A 160 -6.694 -13.848 15.317 1.00 0.00 H ATOM 2416 HG2 PRO A 160 -5.713 -12.778 16.344 1.00 0.00 H ATOM 2417 HB2 PRO A 160 -6.747 -13.488 18.264 1.00 0.00 H ATOM 2418 HB3 PRO A 160 -7.274 -14.873 17.280 1.00 0.00 H ATOM 2419 N TRP A 161 -8.715 -11.752 19.350 1.00 19.20 N ATOM 2420 CA TRP A 161 -9.073 -11.424 20.750 1.00 20.11 C ATOM 2421 C TRP A 161 -10.559 -11.104 20.885 1.00 20.22 C ATOM 2422 O TRP A 161 -11.206 -11.508 21.826 1.00 20.35 O ATOM 2423 CB TRP A 161 -8.235 -10.319 21.354 1.00 19.73 C ATOM 2424 CG TRP A 161 -8.243 -9.061 20.542 1.00 19.90 C ATOM 2425 CD1 TRP A 161 -9.103 -8.052 20.665 1.00 20.52 C ATOM 2426 CD2 TRP A 161 -7.382 -8.742 19.434 1.00 21.78 C ATOM 2427 NE1 TRP A 161 -8.818 -7.058 19.750 1.00 21.52 N ATOM 2428 CE2 TRP A 161 -7.758 -7.450 18.982 1.00 21.25 C ATOM 2429 CE3 TRP A 161 -6.266 -9.383 18.833 1.00 21.04 C ATOM 2430 CZ2 TRP A 161 -7.087 -6.777 17.922 1.00 19.10 C ATOM 2431 CZ3 TRP A 161 -5.620 -8.723 17.761 1.00 21.60 C ATOM 2432 CH2 TRP A 161 -6.058 -7.444 17.307 1.00 19.78 C ATOM 2433 HA TRP A 161 -8.850 -12.324 21.322 1.00 0.00 H ATOM 2434 HB2 TRP A 161 -8.623 -10.093 22.347 1.00 0.00 H ATOM 2435 HB3 TRP A 161 -7.207 -10.671 21.438 1.00 0.00 H ATOM 2436 HE1 TRP A 161 -9.328 -6.156 19.660 1.00 0.00 H ATOM 2437 HD1 TRP A 161 -9.918 -8.016 21.387 1.00 0.00 H ATOM 2438 HZ2 TRP A 161 -7.379 -5.774 17.612 1.00 0.00 H ATOM 2439 HH2 TRP A 161 -5.563 -6.985 16.451 1.00 0.00 H ATOM 2440 HZ3 TRP A 161 -4.771 -9.201 17.273 1.00 0.00 H ATOM 2441 HE3 TRP A 161 -5.918 -10.353 19.187 1.00 0.00 H ATOM 2442 H TRP A 161 -8.194 -11.075 18.757 1.00 0.00 H ATOM 2443 N MET A 162 -11.133 -10.472 19.889 1.00 20.25 N ATOM 2444 CA MET A 162 -12.606 -10.319 19.916 1.00 20.90 C ATOM 2445 C MET A 162 -13.408 -11.627 20.025 1.00 19.18 C ATOM 2446 O MET A 162 -14.356 -11.730 20.813 1.00 18.90 O ATOM 2447 CB MET A 162 -13.072 -9.457 18.731 1.00 19.37 C ATOM 2448 CG MET A 162 -14.581 -9.288 18.736 1.00 21.23 C ATOM 2449 SD MET A 162 -15.041 -8.596 17.155 1.00 25.21 S ATOM 2450 CE MET A 162 -16.528 -7.662 17.646 1.00 18.98 C ATOM 2451 HA MET A 162 -12.828 -9.807 20.852 1.00 0.00 H ATOM 2452 HB2 MET A 162 -12.604 -8.475 18.799 1.00 0.00 H ATOM 2453 HB3 MET A 162 -12.771 -9.938 17.801 1.00 0.00 H ATOM 2454 HG2 MET A 162 -14.879 -8.614 19.540 1.00 0.00 H ATOM 2455 HG3 MET A 162 -15.065 -10.255 18.876 1.00 0.00 H ATOM 2456 HE1 MET A 162 -17.265 -8.348 18.063 1.00 0.00 H ATOM 2457 HE2 MET A 162 -16.257 -6.918 18.395 1.00 0.00 H ATOM 2458 HE3 MET A 162 -16.947 -7.163 16.772 1.00 0.00 H ATOM 2459 H MET A 162 -10.570 -10.089 19.103 1.00 0.00 H ATOM 2460 N VAL A 163 -13.079 -12.589 19.157 1.00 19.52 N ATOM 2461 CA VAL A 163 -13.738 -13.898 19.105 1.00 18.95 C ATOM 2462 C VAL A 163 -13.544 -14.642 20.462 1.00 19.74 C ATOM 2463 O VAL A 163 -14.493 -15.198 21.017 1.00 19.19 O ATOM 2464 CB VAL A 163 -13.131 -14.791 17.985 1.00 19.48 C ATOM 2465 CG1 VAL A 163 -13.555 -16.264 18.161 1.00 20.04 C ATOM 2466 CG2 VAL A 163 -13.452 -14.219 16.600 1.00 17.95 C ATOM 2467 HA VAL A 163 -14.795 -13.724 18.902 1.00 0.00 H ATOM 2468 HB VAL A 163 -12.044 -14.782 18.072 1.00 0.00 H ATOM 2469 HG11 VAL A 163 -13.206 -16.628 19.127 1.00 0.00 H ATOM 2470 HG12 VAL A 163 -14.642 -16.336 18.116 1.00 0.00 H ATOM 2471 HG13 VAL A 163 -13.116 -16.865 17.364 1.00 0.00 H ATOM 2472 HG21 VAL A 163 -14.533 -14.175 16.468 1.00 0.00 H ATOM 2473 HG22 VAL A 163 -13.033 -13.216 16.517 1.00 0.00 H ATOM 2474 HG23 VAL A 163 -13.017 -14.861 15.834 1.00 0.00 H ATOM 2475 H VAL A 163 -12.312 -12.398 18.480 1.00 0.00 H ATOM 2476 N MET A 164 -12.313 -14.674 20.951 1.00 20.72 N ATOM 2477 CA MET A 164 -11.993 -15.398 22.229 1.00 23.47 C ATOM 2478 C MET A 164 -12.670 -14.715 23.440 1.00 21.42 C ATOM 2479 O MET A 164 -13.290 -15.355 24.257 1.00 21.17 O ATOM 2480 CB MET A 164 -10.447 -15.463 22.403 1.00 23.09 C ATOM 2481 CG MET A 164 -9.689 -16.378 21.401 1.00 23.33 C ATOM 2482 SD MET A 164 -7.884 -16.443 21.734 1.00 30.46 S ATOM 2483 CE MET A 164 -7.882 -17.047 23.409 1.00 30.37 C ATOM 2484 HA MET A 164 -12.387 -16.413 22.178 1.00 0.00 H ATOM 2485 HB2 MET A 164 -10.056 -14.452 22.294 1.00 0.00 H ATOM 2486 HB3 MET A 164 -10.239 -15.825 23.410 1.00 0.00 H ATOM 2487 HG2 MET A 164 -9.845 -15.996 20.392 1.00 0.00 H ATOM 2488 HG3 MET A 164 -10.095 -17.387 21.473 1.00 0.00 H ATOM 2489 HE1 MET A 164 -8.421 -16.347 24.047 1.00 0.00 H ATOM 2490 HE2 MET A 164 -8.370 -18.021 23.443 1.00 0.00 H ATOM 2491 HE3 MET A 164 -6.854 -17.142 23.759 1.00 0.00 H ATOM 2492 H MET A 164 -11.550 -14.187 20.439 1.00 0.00 H ATOM 2493 N GLN A 165 -12.640 -13.383 23.469 1.00 21.78 N ATOM 2494 CA GLN A 165 -13.379 -12.617 24.460 1.00 20.44 C ATOM 2495 C GLN A 165 -14.879 -12.937 24.453 1.00 22.08 C ATOM 2496 O GLN A 165 -15.451 -13.274 25.507 1.00 21.93 O ATOM 2497 CB GLN A 165 -13.151 -11.143 24.243 1.00 19.60 C ATOM 2498 CG GLN A 165 -11.810 -10.680 24.676 1.00 17.88 C ATOM 2499 CD GLN A 165 -11.552 -9.234 24.273 1.00 18.28 C ATOM 2500 OE1 GLN A 165 -12.469 -8.414 24.153 1.00 25.07 O ATOM 2501 NE2 GLN A 165 -10.316 -8.902 24.119 1.00 21.36 N ATOM 2502 HA GLN A 165 -13.002 -12.904 25.442 1.00 0.00 H ATOM 2503 HB2 GLN A 165 -13.263 -10.929 23.180 1.00 0.00 H ATOM 2504 HB3 GLN A 165 -13.905 -10.591 24.805 1.00 0.00 H ATOM 2505 HG2 GLN A 165 -11.742 -10.762 25.761 1.00 0.00 H ATOM 2506 HG3 GLN A 165 -11.052 -11.315 24.217 1.00 0.00 H ATOM 2507 HE22 GLN A 165 -9.568 -9.617 24.227 1.00 0.00 H ATOM 2508 HE21 GLN A 165 -10.067 -7.919 23.887 1.00 0.00 H ATOM 2509 H GLN A 165 -12.071 -12.876 22.761 1.00 0.00 H ATOM 2510 N ALA A 166 -15.487 -12.871 23.261 1.00 22.73 N ATOM 2511 CA ALA A 166 -16.939 -13.036 23.104 1.00 23.32 C ATOM 2512 C ALA A 166 -17.335 -14.492 23.249 1.00 24.00 C ATOM 2513 O ALA A 166 -18.514 -14.818 23.500 1.00 23.18 O ATOM 2514 CB ALA A 166 -17.418 -12.508 21.797 1.00 20.95 C ATOM 2515 HA ALA A 166 -17.414 -12.457 23.896 1.00 0.00 H ATOM 2516 HB1 ALA A 166 -17.185 -11.446 21.728 1.00 0.00 H ATOM 2517 HB2 ALA A 166 -16.923 -13.043 20.987 1.00 0.00 H ATOM 2518 HB3 ALA A 166 -18.496 -12.650 21.722 1.00 0.00 H ATOM 2519 H ALA A 166 -14.909 -12.696 22.414 1.00 0.00 H ATOM 2520 N THR A 167 -16.349 -15.374 23.155 1.00 25.10 N ATOM 2521 CA THR A 167 -16.717 -16.768 23.276 1.00 27.19 C ATOM 2522 C THR A 167 -16.610 -17.293 24.730 1.00 26.84 C ATOM 2523 O THR A 167 -16.997 -18.413 25.028 1.00 26.37 O ATOM 2524 CB THR A 167 -16.042 -17.635 22.140 1.00 28.07 C ATOM 2525 OG1 THR A 167 -14.628 -17.439 22.135 1.00 32.37 O ATOM 2526 CG2 THR A 167 -16.547 -17.142 20.796 1.00 27.40 C ATOM 2527 HA THR A 167 -17.784 -16.876 23.083 1.00 0.00 H ATOM 2528 HB THR A 167 -16.281 -18.684 22.316 1.00 0.00 H ATOM 2529 HG1 THR A 167 -14.429 -16.483 21.972 1.00 0.00 H ATOM 2530 HG23 THR A 167 -17.628 -17.270 20.747 1.00 0.00 H ATOM 2531 HG21 THR A 167 -16.299 -16.087 20.681 1.00 0.00 H ATOM 2532 HG22 THR A 167 -16.075 -17.717 19.999 1.00 0.00 H ATOM 2533 H THR A 167 -15.363 -15.079 23.002 1.00 0.00 H ATOM 2534 N ASN A 168 -16.116 -16.471 25.643 1.00 25.45 N ATOM 2535 CA ASN A 168 -16.081 -16.883 27.033 1.00 26.21 C ATOM 2536 C ASN A 168 -17.518 -16.760 27.557 1.00 26.44 C ATOM 2537 O ASN A 168 -18.108 -15.692 27.489 1.00 24.26 O ATOM 2538 CB ASN A 168 -15.060 -16.028 27.850 1.00 25.62 C ATOM 2539 CG ASN A 168 -14.998 -16.403 29.344 1.00 25.82 C ATOM 2540 OD1 ASN A 168 -14.327 -17.352 29.749 1.00 26.28 O ATOM 2541 ND2 ASN A 168 -15.657 -15.634 30.158 1.00 23.13 N ATOM 2542 HA ASN A 168 -15.735 -17.911 27.139 1.00 0.00 H ATOM 2543 HB2 ASN A 168 -14.069 -16.168 27.418 1.00 0.00 H ATOM 2544 HB3 ASN A 168 -15.346 -14.979 27.769 1.00 0.00 H ATOM 2545 HD22 ASN A 168 -16.215 -14.840 29.786 1.00 0.00 H ATOM 2546 HD21 ASN A 168 -15.626 -15.813 31.182 1.00 0.00 H ATOM 2547 H ASN A 168 -15.755 -15.536 25.365 1.00 0.00 H ATOM 2548 N ARG A 169 -18.075 -17.873 28.048 1.00 27.69 N ATOM 2549 CA ARG A 169 -19.421 -17.926 28.663 1.00 30.49 C ATOM 2550 C ARG A 169 -19.763 -16.740 29.561 1.00 28.47 C ATOM 2551 O ARG A 169 -20.778 -16.112 29.357 1.00 27.62 O ATOM 2552 CB ARG A 169 -19.659 -19.261 29.402 1.00 30.85 C ATOM 2553 CG ARG A 169 -18.595 -19.600 30.518 1.00 34.90 C ATOM 2554 CD ARG A 169 -18.452 -21.168 30.870 1.00 38.79 C ATOM 2555 NE ARG A 169 -17.302 -21.909 30.265 1.00 47.19 N ATOM 2556 CZ ARG A 169 -16.445 -21.494 29.286 1.00 48.96 C ATOM 2557 NH1 ARG A 169 -15.478 -22.315 28.890 1.00 48.99 N ATOM 2558 NH2 ARG A 169 -16.511 -20.313 28.673 1.00 41.56 N ATOM 2559 HA ARG A 169 -20.108 -17.859 27.820 1.00 0.00 H ATOM 2560 HB2 ARG A 169 -20.642 -19.218 29.872 1.00 0.00 H ATOM 2561 HB3 ARG A 169 -19.645 -20.064 28.665 1.00 0.00 H ATOM 2562 HG2 ARG A 169 -17.624 -19.239 30.180 1.00 0.00 H ATOM 2563 HG3 ARG A 169 -18.880 -19.073 31.429 1.00 0.00 H ATOM 2564 HD2 ARG A 169 -19.367 -21.661 30.543 1.00 0.00 H ATOM 2565 HD3 ARG A 169 -18.362 -21.253 31.953 1.00 0.00 H ATOM 2566 HE ARG A 169 -17.133 -22.865 30.639 1.00 0.00 H ATOM 2567 HH12 ARG A 169 -14.815 -22.017 28.146 1.00 0.00 H ATOM 2568 HH11 ARG A 169 -15.384 -23.255 29.324 1.00 0.00 H ATOM 2569 HH22 ARG A 169 -15.819 -20.071 27.935 1.00 0.00 H ATOM 2570 HH21 ARG A 169 -17.254 -19.633 28.932 1.00 0.00 H ATOM 2571 H ARG A 169 -17.528 -18.756 27.994 1.00 0.00 H ATOM 2572 N GLU A 170 -18.895 -16.420 30.522 1.00 27.91 N ATOM 2573 CA GLU A 170 -19.191 -15.358 31.503 1.00 27.25 C ATOM 2574 C GLU A 170 -19.017 -13.955 30.920 1.00 24.71 C ATOM 2575 O GLU A 170 -19.811 -13.037 31.200 1.00 24.50 O ATOM 2576 CB GLU A 170 -18.331 -15.526 32.767 1.00 27.82 C ATOM 2577 CG GLU A 170 -18.685 -16.753 33.625 1.00 33.44 C ATOM 2578 CD GLU A 170 -18.078 -18.037 33.045 1.00 39.93 C ATOM 2579 OE1 GLU A 170 -17.322 -17.959 32.047 1.00 43.67 O ATOM 2580 OE2 GLU A 170 -18.347 -19.139 33.559 1.00 41.53 O ATOM 2581 HA GLU A 170 -20.242 -15.465 31.773 1.00 0.00 H ATOM 2582 HB2 GLU A 170 -17.289 -15.615 32.460 1.00 0.00 H ATOM 2583 HB3 GLU A 170 -18.453 -14.634 33.382 1.00 0.00 H ATOM 2584 HG2 GLU A 170 -18.301 -16.603 34.634 1.00 0.00 H ATOM 2585 HG3 GLU A 170 -19.769 -16.859 33.663 1.00 0.00 H ATOM 2586 H GLU A 170 -17.990 -16.930 30.581 1.00 0.00 H ATOM 2587 N ALA A 171 -17.961 -13.796 30.154 1.00 21.69 N ATOM 2588 CA ALA A 171 -17.689 -12.558 29.417 1.00 23.29 C ATOM 2589 C ALA A 171 -18.879 -12.168 28.499 1.00 22.20 C ATOM 2590 O ALA A 171 -19.307 -11.028 28.525 1.00 21.29 O ATOM 2591 CB ALA A 171 -16.407 -12.705 28.607 1.00 23.02 C ATOM 2592 HA ALA A 171 -17.560 -11.753 30.141 1.00 0.00 H ATOM 2593 HB1 ALA A 171 -15.575 -12.913 29.280 1.00 0.00 H ATOM 2594 HB2 ALA A 171 -16.518 -13.527 27.900 1.00 0.00 H ATOM 2595 HB3 ALA A 171 -16.214 -11.780 28.063 1.00 0.00 H ATOM 2596 H ALA A 171 -17.288 -14.584 30.067 1.00 0.00 H ATOM 2597 N ARG A 172 -19.423 -13.154 27.762 1.00 22.04 N ATOM 2598 CA ARG A 172 -20.619 -12.970 26.927 1.00 22.81 C ATOM 2599 C ARG A 172 -21.829 -12.595 27.756 1.00 22.68 C ATOM 2600 O ARG A 172 -22.559 -11.728 27.353 1.00 20.55 O ATOM 2601 CB ARG A 172 -20.986 -14.203 26.096 1.00 22.27 C ATOM 2602 CG ARG A 172 -22.288 -14.017 25.265 1.00 20.94 C ATOM 2603 CD ARG A 172 -22.573 -15.214 24.274 1.00 23.32 C ATOM 2604 NE ARG A 172 -21.486 -15.372 23.317 1.00 24.19 N ATOM 2605 CZ ARG A 172 -21.542 -15.959 22.115 1.00 26.10 C ATOM 2606 NH1 ARG A 172 -22.662 -16.499 21.567 1.00 21.43 N ATOM 2607 NH2 ARG A 172 -20.429 -15.972 21.437 1.00 22.03 N ATOM 2608 HA ARG A 172 -20.352 -12.161 26.248 1.00 0.00 H ATOM 2609 HB2 ARG A 172 -20.165 -14.416 25.411 1.00 0.00 H ATOM 2610 HB3 ARG A 172 -21.123 -15.048 26.771 1.00 0.00 H ATOM 2611 HG2 ARG A 172 -23.129 -13.930 25.953 1.00 0.00 H ATOM 2612 HG3 ARG A 172 -22.199 -13.099 24.683 1.00 0.00 H ATOM 2613 HD2 ARG A 172 -23.498 -15.016 23.733 1.00 0.00 H ATOM 2614 HD3 ARG A 172 -22.679 -16.134 24.848 1.00 0.00 H ATOM 2615 HE ARG A 172 -20.563 -14.985 23.599 1.00 0.00 H ATOM 2616 HH12 ARG A 172 -22.620 -16.938 20.625 1.00 0.00 H ATOM 2617 HH11 ARG A 172 -23.561 -16.474 22.090 1.00 0.00 H ATOM 2618 HH22 ARG A 172 -20.399 -16.412 20.495 1.00 0.00 H ATOM 2619 HH21 ARG A 172 -19.571 -15.543 21.838 1.00 0.00 H ATOM 2620 H ARG A 172 -18.975 -14.092 27.784 1.00 0.00 H ATOM 2621 N LYS A 173 -22.023 -13.275 28.890 1.00 21.98 N ATOM 2622 CA LYS A 173 -23.161 -12.964 29.778 1.00 24.13 C ATOM 2623 C LYS A 173 -23.081 -11.532 30.374 1.00 20.53 C ATOM 2624 O LYS A 173 -24.056 -10.813 30.363 1.00 21.35 O ATOM 2625 CB LYS A 173 -23.387 -14.135 30.826 1.00 23.97 C ATOM 2626 CG LYS A 173 -24.212 -13.714 32.027 1.00 27.74 C ATOM 2627 CD LYS A 173 -25.145 -14.904 32.622 1.00 30.93 C ATOM 2628 CE LYS A 173 -26.645 -14.461 32.672 1.00 35.10 C ATOM 2629 NZ LYS A 173 -27.344 -15.098 33.816 1.00 42.14 N ATOM 2630 HA LYS A 173 -24.074 -12.929 29.184 1.00 0.00 H ATOM 2631 HB2 LYS A 173 -23.900 -14.955 30.324 1.00 0.00 H ATOM 2632 HB3 LYS A 173 -22.414 -14.478 31.177 1.00 0.00 H ATOM 2633 HG2 LYS A 173 -23.533 -13.382 32.813 1.00 0.00 H ATOM 2634 HG3 LYS A 173 -24.856 -12.886 31.730 1.00 0.00 H ATOM 2635 HD2 LYS A 173 -25.053 -15.783 31.985 1.00 0.00 H ATOM 2636 HD3 LYS A 173 -24.811 -15.151 33.630 1.00 0.00 H ATOM 2637 HE2 LYS A 173 -27.136 -14.755 31.744 1.00 0.00 H ATOM 2638 HE3 LYS A 173 -26.695 -13.378 32.781 1.00 0.00 H ATOM 2639 HZ1 LYS A 173 -27.302 -16.132 33.714 1.00 0.00 H ATOM 2640 HZ2 LYS A 173 -26.881 -14.817 34.704 1.00 0.00 H ATOM 2641 HZ3 LYS A 173 -28.337 -14.790 33.829 1.00 0.00 H ATOM 2642 H LYS A 173 -21.362 -14.035 29.151 1.00 0.00 H ATOM 2643 N ARG A 174 -21.922 -11.102 30.836 1.00 18.45 N ATOM 2644 CA ARG A 174 -21.670 -9.700 31.289 1.00 18.29 C ATOM 2645 C ARG A 174 -21.857 -8.576 30.241 1.00 18.95 C ATOM 2646 O ARG A 174 -22.454 -7.515 30.505 1.00 18.12 O ATOM 2647 CB ARG A 174 -20.268 -9.580 31.916 1.00 17.33 C ATOM 2648 CG ARG A 174 -20.101 -10.487 33.202 1.00 16.52 C ATOM 2649 CD ARG A 174 -18.682 -10.478 33.695 1.00 20.19 C ATOM 2650 NE ARG A 174 -18.512 -11.622 34.571 1.00 27.34 N ATOM 2651 CZ ARG A 174 -17.426 -12.362 34.672 1.00 29.70 C ATOM 2652 NH1 ARG A 174 -17.432 -13.401 35.514 1.00 29.32 N ATOM 2653 NH2 ARG A 174 -16.365 -12.088 33.924 1.00 28.98 N ATOM 2654 HA ARG A 174 -22.461 -9.529 32.019 1.00 0.00 H ATOM 2655 HB2 ARG A 174 -19.527 -9.882 31.176 1.00 0.00 H ATOM 2656 HB3 ARG A 174 -20.098 -8.541 32.196 1.00 0.00 H ATOM 2657 HG2 ARG A 174 -20.753 -10.110 33.990 1.00 0.00 H ATOM 2658 HG3 ARG A 174 -20.385 -11.510 32.955 1.00 0.00 H ATOM 2659 HD2 ARG A 174 -18.485 -9.557 34.244 1.00 0.00 H ATOM 2660 HD3 ARG A 174 -17.995 -10.550 32.852 1.00 0.00 H ATOM 2661 HE ARG A 174 -19.319 -11.881 35.173 1.00 0.00 H ATOM 2662 HH12 ARG A 174 -16.586 -13.998 35.609 1.00 0.00 H ATOM 2663 HH11 ARG A 174 -18.283 -13.612 36.074 1.00 0.00 H ATOM 2664 HH22 ARG A 174 -15.508 -12.672 34.003 1.00 0.00 H ATOM 2665 HH21 ARG A 174 -16.390 -11.289 33.258 1.00 0.00 H ATOM 2666 H ARG A 174 -21.135 -11.780 30.888 1.00 0.00 H ATOM 2667 N LEU A 175 -21.367 -8.839 29.028 1.00 20.49 N ATOM 2668 CA LEU A 175 -21.578 -7.946 27.863 1.00 20.28 C ATOM 2669 C LEU A 175 -23.068 -7.759 27.535 1.00 20.74 C ATOM 2670 O LEU A 175 -23.529 -6.621 27.322 1.00 19.47 O ATOM 2671 CB LEU A 175 -20.842 -8.514 26.645 1.00 19.86 C ATOM 2672 CG LEU A 175 -19.325 -8.354 26.561 1.00 18.94 C ATOM 2673 CD1 LEU A 175 -18.783 -9.032 25.282 1.00 11.86 C ATOM 2674 CD2 LEU A 175 -18.953 -6.865 26.580 1.00 16.15 C ATOM 2675 HA LEU A 175 -21.178 -6.965 28.120 1.00 0.00 H ATOM 2676 HB2 LEU A 175 -21.054 -9.583 26.612 1.00 0.00 H ATOM 2677 HB3 LEU A 175 -21.264 -8.034 25.762 1.00 0.00 H ATOM 2678 HG LEU A 175 -18.870 -8.839 27.425 1.00 0.00 H ATOM 2679 HD21 LEU A 175 -19.415 -6.366 25.728 1.00 0.00 H ATOM 2680 HD22 LEU A 175 -19.311 -6.414 27.505 1.00 0.00 H ATOM 2681 HD23 LEU A 175 -17.870 -6.762 26.520 1.00 0.00 H ATOM 2682 HD11 LEU A 175 -19.028 -10.094 25.303 1.00 0.00 H ATOM 2683 HD12 LEU A 175 -19.239 -8.570 24.406 1.00 0.00 H ATOM 2684 HD13 LEU A 175 -17.701 -8.909 25.238 1.00 0.00 H ATOM 2685 H LEU A 175 -20.813 -9.709 28.894 1.00 0.00 H ATOM 2686 N SER A 176 -23.810 -8.869 27.497 1.00 20.61 N ATOM 2687 CA SER A 176 -25.275 -8.802 27.423 1.00 22.39 C ATOM 2688 C SER A 176 -25.928 -7.990 28.493 1.00 21.53 C ATOM 2689 O SER A 176 -26.739 -7.108 28.205 1.00 21.20 O ATOM 2690 CB SER A 176 -25.935 -10.165 27.560 1.00 24.10 C ATOM 2691 OG SER A 176 -26.193 -10.719 26.304 1.00 26.79 O ATOM 2692 HA SER A 176 -25.420 -8.347 26.443 1.00 0.00 H ATOM 2693 HB2 SER A 176 -26.874 -10.055 28.102 1.00 0.00 H ATOM 2694 HB3 SER A 176 -25.272 -10.829 28.115 1.00 0.00 H ATOM 2695 HG SER A 176 -26.622 -11.604 26.417 1.00 0.00 H ATOM 2696 H SER A 176 -23.342 -9.797 27.520 1.00 0.00 H ATOM 2697 N ALA A 177 -25.673 -8.373 29.727 1.00 21.09 N ATOM 2698 CA ALA A 177 -26.231 -7.654 30.905 1.00 19.39 C ATOM 2699 C ALA A 177 -25.906 -6.187 30.807 1.00 19.50 C ATOM 2700 O ALA A 177 -26.742 -5.339 31.108 1.00 19.95 O ATOM 2701 CB ALA A 177 -25.631 -8.231 32.190 1.00 18.94 C ATOM 2702 HA ALA A 177 -27.314 -7.780 30.924 1.00 0.00 H ATOM 2703 HB1 ALA A 177 -25.878 -9.290 32.261 1.00 0.00 H ATOM 2704 HB2 ALA A 177 -24.548 -8.110 32.170 1.00 0.00 H ATOM 2705 HB3 ALA A 177 -26.042 -7.703 33.050 1.00 0.00 H ATOM 2706 H ALA A 177 -25.064 -9.202 29.883 1.00 0.00 H ATOM 2707 N PHE A 178 -24.659 -5.876 30.410 1.00 21.10 N ATOM 2708 CA PHE A 178 -24.229 -4.469 30.221 1.00 20.03 C ATOM 2709 C PHE A 178 -25.169 -3.613 29.354 1.00 21.59 C ATOM 2710 O PHE A 178 -25.465 -2.458 29.731 1.00 18.47 O ATOM 2711 CB PHE A 178 -22.761 -4.356 29.742 1.00 20.46 C ATOM 2712 CG PHE A 178 -22.175 -2.975 29.921 1.00 18.12 C ATOM 2713 CD1 PHE A 178 -21.618 -2.595 31.146 1.00 22.78 C ATOM 2714 CD2 PHE A 178 -22.207 -2.035 28.878 1.00 19.93 C ATOM 2715 CE1 PHE A 178 -21.043 -1.260 31.341 1.00 21.92 C ATOM 2716 CE2 PHE A 178 -21.674 -0.720 29.060 1.00 16.28 C ATOM 2717 CZ PHE A 178 -21.069 -0.351 30.287 1.00 18.57 C ATOM 2718 HA PHE A 178 -24.293 -4.041 31.221 1.00 0.00 H ATOM 2719 HB2 PHE A 178 -22.157 -5.064 30.309 1.00 0.00 H ATOM 2720 HB3 PHE A 178 -22.722 -4.613 28.684 1.00 0.00 H ATOM 2721 HD2 PHE A 178 -22.643 -2.311 27.918 1.00 0.00 H ATOM 2722 HE2 PHE A 178 -21.734 0.004 28.248 1.00 0.00 H ATOM 2723 HZ PHE A 178 -20.627 0.638 30.405 1.00 0.00 H ATOM 2724 HE1 PHE A 178 -20.601 -0.983 32.298 1.00 0.00 H ATOM 2725 HD1 PHE A 178 -21.611 -3.305 31.973 1.00 0.00 H ATOM 2726 H PHE A 178 -23.979 -6.642 30.231 1.00 0.00 H ATOM 2727 N THR A 179 -25.615 -4.177 28.215 1.00 21.66 N ATOM 2728 CA THR A 179 -26.498 -3.475 27.217 1.00 24.19 C ATOM 2729 C THR A 179 -27.881 -3.048 27.706 1.00 25.33 C ATOM 2730 O THR A 179 -28.435 -3.693 28.636 1.00 28.83 O ATOM 2731 CB THR A 179 -26.763 -4.335 25.948 1.00 22.92 C ATOM 2732 OG1 THR A 179 -27.383 -5.548 26.383 1.00 25.49 O ATOM 2733 CG2 THR A 179 -25.513 -4.626 25.184 1.00 22.10 C ATOM 2734 HA THR A 179 -25.907 -2.582 27.015 1.00 0.00 H ATOM 2735 HB THR A 179 -27.408 -3.784 25.264 1.00 0.00 H ATOM 2736 HG1 THR A 179 -26.777 -6.022 27.006 1.00 0.00 H ATOM 2737 HG23 THR A 179 -25.058 -3.689 24.863 1.00 0.00 H ATOM 2738 HG21 THR A 179 -24.816 -5.169 25.823 1.00 0.00 H ATOM 2739 HG22 THR A 179 -25.755 -5.232 24.311 1.00 0.00 H ATOM 2740 H THR A 179 -25.332 -5.157 28.012 1.00 0.00 H TER 2741 THR A 179 HETATM 2742 MN MN A 1 0.139 -6.007 22.261 1.00 17.44 MN HETATM 2743 MG MG A 2 -5.946 0.489 19.620 1.00 9.09 MG HETATM 2744 O HOH 3 -0.990 -13.992 41.059 1.00 48.09 O HETATM 2745 O HOH 4 9.851 -8.221 38.984 1.00 49.68 O HETATM 2746 O HOH 5 -9.776 -5.574 35.440 1.00 19.62 O HETATM 2747 O HOH 6 -8.476 -2.265 17.399 1.00 13.69 O HETATM 2748 O HOH 7 -6.663 2.434 6.529 1.00 17.23 O HETATM 2749 O HOH 8 3.203 1.356 36.261 1.00 27.75 O HETATM 2750 O HOH 9 -10.760 1.773 17.785 1.00 15.42 O HETATM 2751 O HOH 10 -8.013 -0.249 19.045 1.00 18.57 O HETATM 2752 O HOH 11 -13.956 14.459 23.443 1.00 30.97 O HETATM 2753 O HOH 12 -13.958 9.966 28.587 1.00 16.96 O HETATM 2754 O HOH 13 -24.128 4.214 31.231 1.00 35.93 O HETATM 2755 O HOH 14 -0.322 -10.022 5.066 1.00 34.83 O HETATM 2756 O HOH 15 -11.383 -6.540 33.390 1.00 21.49 O HETATM 2757 O HOH 16 -20.951 8.085 20.188 1.00 33.91 O HETATM 2758 O HOH 17 -11.084 10.185 7.683 1.00 34.34 O HETATM 2759 O HOH 18 -7.517 0.181 15.320 1.00 17.37 O HETATM 2760 O HOH 19 -5.965 1.083 17.256 1.00 24.14 O HETATM 2761 O HOH 20 -18.042 4.624 8.568 1.00 34.75 O HETATM 2762 O HOH 21 -15.022 -1.870 5.652 1.00 15.41 O HETATM 2763 O HOH 22 -23.656 2.303 11.799 1.00 20.69 O HETATM 2764 O HOH 23 -28.178 -12.010 13.682 1.00 36.21 O HETATM 2765 O HOH 24 -18.362 -21.589 13.083 1.00 34.62 O HETATM 2766 O HOH 25 -10.448 -14.641 14.610 1.00 27.00 O HETATM 2767 O HOH 26 -11.749 -8.514 9.471 1.00 16.00 O HETATM 2768 O HOH 27 -30.049 -8.191 29.284 1.00 21.27 O HETATM 2769 O HOH 28 -24.744 -0.066 30.514 1.00 19.79 O HETATM 2770 O HOH 29 -28.822 -2.223 30.840 1.00 24.17 O HETATM 2771 O HOH 30 -2.544 1.891 23.629 1.00 22.00 O HETATM 2772 O HOH 31 0.739 -0.783 18.079 1.00 35.28 O HETATM 2773 O1 DED A 32 -1.672 0.625 21.387 1.00 -0.59 O HETATM 2774 P4 DED A 32 -2.438 0.267 20.093 1.00 0.21 P HETATM 2775 O2 DED A 32 -3.721 1.069 19.963 1.00 -0.59 O HETATM 2776 O3 DED A 32 -1.547 0.295 18.909 1.00 -0.59 O HETATM 2777 O5 DED A 32 -2.733 -1.328 20.210 1.00 -0.15 O HETATM 2778 P8 DED A 32 -3.726 -2.300 19.389 1.00 0.33 P HETATM 2779 O6 DED A 32 -5.017 -1.514 19.203 1.00 -0.56 O HETATM 2780 O7 DED A 32 -3.050 -2.965 18.266 1.00 -0.56 O HETATM 2781 O9 DED A 32 -4.054 -3.527 20.416 1.00 -0.24 O HETATM 2782 C10 DED A 32 -4.459 -3.401 21.815 1.00 0.12 C HETATM 2783 C11 DED A 32 -4.404 -4.701 22.653 1.00 -0.00 C HETATM 2784 N12 DED A 32 -4.610 -5.926 21.822 1.00 0.23 N HETATM 2785 C13 DED A 32 -5.897 -6.573 22.107 1.00 -0.04 C HETATM 2786 H6 DED A 32 -6.006 -7.467 21.475 1.00 0.08 H HETATM 2787 H7 DED A 32 -6.716 -5.871 21.893 1.00 0.08 H HETATM 2788 H8 DED A 32 -5.933 -6.866 23.166 1.00 0.08 H HETATM 2789 C14 DED A 32 -4.375 -5.928 20.375 1.00 -0.04 C HETATM 2790 H9 DED A 32 -3.411 -5.444 20.159 1.00 0.08 H HETATM 2791 H10 DED A 32 -5.183 -5.377 19.872 1.00 0.08 H HETATM 2792 H11 DED A 32 -4.354 -6.965 20.008 1.00 0.08 H HETATM 2793 H5 DED A 32 -3.909 -6.558 22.174 1.00 0.20 H HETATM 2794 H3 DED A 32 -5.190 -4.659 23.421 1.00 0.08 H HETATM 2795 H4 DED A 32 -3.420 -4.766 23.139 1.00 0.08 H HETATM 2796 H1 DED A 32 -5.495 -3.031 21.834 1.00 0.07 H HETATM 2797 H2 DED A 32 -3.797 -2.664 22.293 1.00 0.07 H CONECT 1 2 15 16 17 CONECT 15 1 CONECT 16 1 CONECT 17 1 CONECT 326 324 325 2742 CONECT 435 433 434 2742 CONECT 999 998 2743 CONECT 1023 1021 1022 2742 CONECT 1311 1309 2743 CONECT 1727 1726 2742 CONECT 2742 326 435 1023 1727 CONECT 2743 999 1311 CONECT 2773 2774 CONECT 2774 2773 2775 2776 2777 CONECT 2775 2774 CONECT 2776 2774 CONECT 2777 2774 2778 CONECT 2778 2777 2779 2780 2781 CONECT 2779 2778 CONECT 2780 2778 CONECT 2781 2778 2782 CONECT 2782 2781 2783 2796 2797 CONECT 2783 2782 2784 2794 2795 CONECT 2784 2783 2785 2789 2793 CONECT 2785 2784 2786 2787 2788 CONECT 2786 2785 CONECT 2787 2785 CONECT 2788 2785 CONECT 2789 2784 2790 2791 2792 CONECT 2790 2789 CONECT 2791 2789 CONECT 2792 2789 CONECT 2793 2784 CONECT 2794 2783 CONECT 2795 2783 CONECT 2796 2782 CONECT 2797 2782 MASTER 0 0 0 0 0 0 0 0 2796 1 37 14 END
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Structure:
Ligand 2D
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Protein
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Related entries of code: 2vnp
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
1nfs
RCSB PDB
PDBbind
183aa, >1NFS_1|Chains... *
1ppw
RCSB PDB
PDBbind
183aa, >1PPW_1|Chains... at 100%
1q54
RCSB PDB
PDBbind
183aa, >1Q54_1|Chains... at 99%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
1nfs
RCSB PDB
PDBbind
DED
Entry Information
PDB ID
2vnp
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
IDI-1
Ligand Name
DED
EC.Number
E.C.5.3.3.2
Resolution
2.19(Å)
Affinity (Kd/Ki/IC50)
Ki=0.12nM
Release Year
2008
Protein/NA Sequence
Check fasta file
Primary Reference
(2008) Acta Crystallogr.,Sect.F Vol. 64: pp. 239-242
Ligand Properties
Formula
C
4
H
1
6
NO
7
P
2
Molecular Weight
252.120
Exact Mass
252.040
No. of atoms
30
No. of bonds
29
Polar Surface Area
151.23
LOGP Value
-5.13 (
Computed with XLOGP3
)
-2.52 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 5
No. of Rotatable Bonds: 5
No. of Nitrogen and Oxygen Atoms: 8
No. of Rings: 0
Canonical SMILES
OP(OP(O)(O)O)(OCC[NH+](C)C)O
InChI String
InChI=1S/C4H17NO7P2/c1-5(2)3-4-11-14(9,10)12-13(6,7)8/h6-10,13-14H,3-4H2,1-2H3/p+1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
Q46822
Entrez Gene ID
NCBI Entrez Gene ID:
949020
ASD
Information of known allosteric effects of PDB entries
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times since Nov 2007.
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