Browse entries in the PDBbind-CN Database
HEADER 1HI4_COMPLEX COMPND 1HI4_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 135 MET LYS PRO PRO GLN PHE THR TRP ALA GLN TRP PHE GLU SEQRES 2 A 135 THR GLN HIS ILE ASN MET THR SER GLN GLN CYS THR ASN SEQRES 3 A 135 ALA MET GLN VAL ILE ASN ASN TYR GLN ARG ARG CYS LYS SEQRES 4 A 135 ASN GLN ASN THR PHE LEU LEU THR THR PHE ALA ASN VAL SEQRES 5 A 135 VAL ASN VAL CYS GLY ASN PRO ASN MET THR CYS PRO SER SEQRES 6 A 135 ASN LYS THR ARG LYS ASN CYS HIS HIS SER GLY SER GLN SEQRES 7 A 135 VAL PRO LEU ILE HIS CYS ASN LEU THR THR PRO SER PRO SEQRES 8 A 135 GLN ASN ILE SER ASN CYS ARG TYR ALA GLN THR PRO ALA SEQRES 9 A 135 ASN MET PHE TYR ILE VAL ALA CYS ASP ASN ARG ASP GLN SEQRES 10 A 135 ARG ARG ASP PRO PRO GLN TYR PRO VAL VAL PRO VAL HIS SEQRES 11 A 135 LEU ASP ARG ILE ILE HET A A 3P 38 SSBOND 1 CYS A 62 CYS A 71 SSBOND 2 CYS A 23 CYS A 83 SSBOND 3 CYS A 37 CYS A 96 SSBOND 4 CYS A 55 CYS A 111 ATOM 1 N MET A 0 8.019 16.693 14.102 1.00 34.47 N ATOM 2 CA MET A 0 6.964 15.673 14.244 1.00 31.70 C ATOM 3 C MET A 0 7.557 14.366 14.694 1.00 29.67 C ATOM 4 O MET A 0 7.798 13.453 13.905 1.00 30.28 O ATOM 5 CB MET A 0 6.238 15.455 12.931 1.00 34.29 C ATOM 6 CG MET A 0 5.253 14.322 12.996 1.00 35.32 C ATOM 7 SD MET A 0 4.178 14.455 11.605 1.00 42.99 S ATOM 8 CE MET A 0 3.282 12.898 11.697 1.00 43.29 C ATOM 9 HA MET A 0 6.255 16.034 14.989 1.00 0.00 H ATOM 10 HB2 MET A 0 5.703 16.369 12.672 1.00 0.00 H ATOM 11 HB3 MET A 0 6.974 15.234 12.158 1.00 0.00 H ATOM 12 HG2 MET A 0 4.675 14.386 13.918 1.00 0.00 H ATOM 13 HG3 MET A 0 5.782 13.369 12.966 1.00 0.00 H ATOM 14 HE1 MET A 0 3.987 12.070 11.621 1.00 0.00 H ATOM 15 HE2 MET A 0 2.753 12.840 12.648 1.00 0.00 H ATOM 16 HE3 MET A 0 2.566 12.844 10.877 1.00 0.00 H ATOM 17 HN3 MET A 0 8.714 16.375 13.397 1.00 0.00 H ATOM 18 HN2 MET A 0 8.491 16.832 15.018 1.00 0.00 H ATOM 19 HN1 MET A 0 7.593 17.589 13.791 1.00 0.00 H ATOM 20 N LYS A 1 7.809 14.291 15.983 1.00 25.51 N ATOM 21 CA LYS A 1 8.328 13.091 16.563 1.00 21.46 C ATOM 22 C LYS A 1 7.488 12.880 17.800 1.00 19.74 C ATOM 23 O LYS A 1 6.927 13.831 18.337 1.00 17.35 O ATOM 24 CB LYS A 1 9.782 13.284 16.954 1.00 21.66 C ATOM 25 CG LYS A 1 10.027 14.462 17.857 1.00 18.66 C ATOM 26 CD LYS A 1 11.346 14.290 18.601 1.00 17.40 C ATOM 27 CE LYS A 1 11.655 15.504 19.472 1.00 15.78 C ATOM 28 NZ LYS A 1 10.947 15.420 20.780 1.00 11.79 N ATOM 29 HA LYS A 1 8.288 12.245 15.876 1.00 0.00 H ATOM 30 HB2 LYS A 1 10.121 12.384 17.467 1.00 0.00 H ATOM 31 HB3 LYS A 1 10.365 13.424 16.044 1.00 0.00 H ATOM 32 HG2 LYS A 1 10.067 15.372 17.259 1.00 0.00 H ATOM 33 HG3 LYS A 1 9.214 14.538 18.579 1.00 0.00 H ATOM 34 HD2 LYS A 1 11.284 13.405 19.234 1.00 0.00 H ATOM 35 HD3 LYS A 1 12.149 14.160 17.875 1.00 0.00 H ATOM 36 HE2 LYS A 1 11.335 16.407 18.951 1.00 0.00 H ATOM 37 HE3 LYS A 1 12.729 15.550 19.651 1.00 0.00 H ATOM 38 HZ1 LYS A 1 9.921 15.381 20.615 1.00 0.00 H ATOM 39 HZ2 LYS A 1 11.252 14.563 21.283 1.00 0.00 H ATOM 40 HZ3 LYS A 1 11.176 16.259 21.351 1.00 0.00 H ATOM 41 H LYS A 1 7.628 15.116 16.589 1.00 0.00 H ATOM 42 N PRO A 2 7.346 11.624 18.238 1.00 18.99 N ATOM 43 CA PRO A 2 6.561 11.350 19.447 1.00 17.52 C ATOM 44 C PRO A 2 7.260 12.055 20.626 1.00 14.52 C ATOM 45 O PRO A 2 8.479 12.301 20.595 1.00 13.99 O ATOM 46 CB PRO A 2 6.592 9.825 19.563 1.00 18.48 C ATOM 47 CG PRO A 2 6.991 9.334 18.190 1.00 20.11 C ATOM 48 CD PRO A 2 7.887 10.394 17.633 1.00 18.99 C ATOM 49 HA PRO A 2 5.532 11.710 19.430 1.00 0.00 H ATOM 50 HD3 PRO A 2 8.923 10.231 17.932 1.00 0.00 H ATOM 51 HD2 PRO A 2 7.825 10.430 16.545 1.00 0.00 H ATOM 52 HG3 PRO A 2 6.111 9.208 17.559 1.00 0.00 H ATOM 53 HG2 PRO A 2 7.522 8.385 18.264 1.00 0.00 H ATOM 54 HB2 PRO A 2 7.323 9.512 20.309 1.00 0.00 H ATOM 55 HB3 PRO A 2 5.609 9.442 19.836 1.00 0.00 H ATOM 56 N PRO A 3 6.508 12.359 21.693 1.00 13.51 N ATOM 57 CA PRO A 3 7.060 13.048 22.864 1.00 12.43 C ATOM 58 C PRO A 3 8.113 12.319 23.683 1.00 11.72 C ATOM 59 O PRO A 3 8.926 12.956 24.353 1.00 11.83 O ATOM 60 CB PRO A 3 5.819 13.371 23.693 1.00 11.79 C ATOM 61 CG PRO A 3 4.874 12.270 23.345 1.00 11.57 C ATOM 62 CD PRO A 3 5.083 12.028 21.879 1.00 11.31 C ATOM 63 HA PRO A 3 7.640 13.910 22.533 1.00 0.00 H ATOM 64 HD3 PRO A 3 4.884 10.988 21.620 1.00 0.00 H ATOM 65 HD2 PRO A 3 4.447 12.679 21.279 1.00 0.00 H ATOM 66 HG3 PRO A 3 3.845 12.572 23.541 1.00 0.00 H ATOM 67 HG2 PRO A 3 5.104 11.372 23.918 1.00 0.00 H ATOM 68 HB2 PRO A 3 6.049 13.366 24.758 1.00 0.00 H ATOM 69 HB3 PRO A 3 5.407 14.341 23.416 1.00 0.00 H ATOM 70 N GLN A 4 8.116 10.994 23.618 1.00 11.12 N ATOM 71 CA GLN A 4 9.055 10.198 24.394 1.00 12.91 C ATOM 72 C GLN A 4 10.488 10.215 23.887 1.00 13.07 C ATOM 73 O GLN A 4 11.400 9.754 24.568 1.00 13.97 O ATOM 74 CB GLN A 4 8.561 8.748 24.489 1.00 12.69 C ATOM 75 CG GLN A 4 8.606 7.970 23.179 1.00 13.67 C ATOM 76 CD GLN A 4 7.276 7.992 22.465 1.00 13.72 C ATOM 77 OE1 GLN A 4 6.552 8.984 22.522 1.00 14.94 O ATOM 78 NE2 GLN A 4 6.945 6.901 21.786 1.00 13.22 N ATOM 79 HA GLN A 4 9.085 10.670 25.376 1.00 0.00 H ATOM 80 HB2 GLN A 4 9.182 8.225 25.216 1.00 0.00 H ATOM 81 HB3 GLN A 4 7.529 8.763 24.839 1.00 0.00 H ATOM 82 HG2 GLN A 4 9.362 8.414 22.531 1.00 0.00 H ATOM 83 HG3 GLN A 4 8.875 6.935 23.392 1.00 0.00 H ATOM 84 HE22 GLN A 4 7.590 6.085 21.766 1.00 0.00 H ATOM 85 HE21 GLN A 4 6.041 6.862 21.274 1.00 0.00 H ATOM 86 H GLN A 4 7.432 10.514 22.999 1.00 0.00 H ATOM 87 N PHE A 5 10.695 10.755 22.697 1.00 14.58 N ATOM 88 CA PHE A 5 12.040 10.809 22.124 1.00 15.63 C ATOM 89 C PHE A 5 12.659 12.202 22.035 1.00 14.77 C ATOM 90 O PHE A 5 11.971 13.189 21.780 1.00 14.36 O ATOM 91 CB PHE A 5 12.033 10.214 20.709 1.00 16.66 C ATOM 92 CG PHE A 5 11.487 8.817 20.638 1.00 17.77 C ATOM 93 CD1 PHE A 5 10.383 8.537 19.838 1.00 16.53 C ATOM 94 CD2 PHE A 5 12.066 7.786 21.391 1.00 18.05 C ATOM 95 CE1 PHE A 5 9.856 7.259 19.784 1.00 17.60 C ATOM 96 CE2 PHE A 5 11.547 6.492 21.347 1.00 17.98 C ATOM 97 CZ PHE A 5 10.439 6.224 20.544 1.00 19.69 C ATOM 98 HA PHE A 5 12.652 10.233 22.818 1.00 0.00 H ATOM 99 HB2 PHE A 5 11.424 10.854 20.071 1.00 0.00 H ATOM 100 HB3 PHE A 5 13.057 10.202 20.337 1.00 0.00 H ATOM 101 HD2 PHE A 5 12.932 7.998 22.018 1.00 0.00 H ATOM 102 HE2 PHE A 5 12.004 5.697 21.936 1.00 0.00 H ATOM 103 HZ PHE A 5 10.024 5.217 20.504 1.00 0.00 H ATOM 104 HE1 PHE A 5 8.991 7.052 19.154 1.00 0.00 H ATOM 105 HD1 PHE A 5 9.929 9.333 19.248 1.00 0.00 H ATOM 106 H PHE A 5 9.893 11.145 22.163 1.00 0.00 H ATOM 107 N THR A 6 13.970 12.265 22.240 1.00 15.04 N ATOM 108 CA THR A 6 14.707 13.522 22.098 1.00 14.74 C ATOM 109 C THR A 6 14.960 13.565 20.586 1.00 12.73 C ATOM 110 O THR A 6 14.740 12.565 19.900 1.00 10.75 O ATOM 111 CB THR A 6 16.052 13.477 22.845 1.00 12.35 C ATOM 112 OG1 THR A 6 16.866 12.431 22.300 1.00 13.80 O ATOM 113 CG2 THR A 6 15.827 13.214 24.333 1.00 15.06 C ATOM 114 HA THR A 6 14.172 14.382 22.501 1.00 0.00 H ATOM 115 HB THR A 6 16.551 14.439 22.726 1.00 0.00 H ATOM 116 HG1 THR A 6 17.731 12.403 22.781 1.00 0.00 H ATOM 117 HG23 THR A 6 15.208 14.008 24.751 1.00 0.00 H ATOM 118 HG21 THR A 6 15.325 12.255 24.459 1.00 0.00 H ATOM 119 HG22 THR A 6 16.788 13.192 24.846 1.00 0.00 H ATOM 120 H THR A 6 14.485 11.402 22.507 1.00 0.00 H ATOM 121 N TRP A 7 15.392 14.698 20.049 1.00 12.49 N ATOM 122 CA TRP A 7 15.641 14.753 18.611 1.00 13.51 C ATOM 123 C TRP A 7 16.681 13.715 18.195 1.00 11.89 C ATOM 124 O TRP A 7 16.550 13.089 17.147 1.00 13.95 O ATOM 125 CB TRP A 7 16.082 16.153 18.190 1.00 12.81 C ATOM 126 CG TRP A 7 14.947 17.119 18.223 1.00 14.99 C ATOM 127 CD1 TRP A 7 14.731 18.093 19.146 1.00 15.82 C ATOM 128 CD2 TRP A 7 13.833 17.152 17.331 1.00 15.52 C ATOM 129 NE1 TRP A 7 13.544 18.735 18.889 1.00 15.70 N ATOM 130 CE2 TRP A 7 12.970 18.176 17.779 1.00 17.72 C ATOM 131 CE3 TRP A 7 13.475 16.411 16.194 1.00 19.28 C ATOM 132 CZ2 TRP A 7 11.766 18.484 17.128 1.00 17.61 C ATOM 133 CZ3 TRP A 7 12.273 16.714 15.540 1.00 20.81 C ATOM 134 CH2 TRP A 7 11.434 17.747 16.015 1.00 20.76 C ATOM 135 HA TRP A 7 14.707 14.520 18.101 1.00 0.00 H ATOM 136 HB2 TRP A 7 16.861 16.498 18.870 1.00 0.00 H ATOM 137 HB3 TRP A 7 16.480 16.109 17.176 1.00 0.00 H ATOM 138 HE1 TRP A 7 13.146 19.518 19.447 1.00 0.00 H ATOM 139 HD1 TRP A 7 15.403 18.330 19.971 1.00 0.00 H ATOM 140 HZ2 TRP A 7 11.116 19.280 17.492 1.00 0.00 H ATOM 141 HH2 TRP A 7 10.505 17.964 15.489 1.00 0.00 H ATOM 142 HZ3 TRP A 7 11.982 16.147 14.656 1.00 0.00 H ATOM 143 HE3 TRP A 7 14.121 15.614 15.826 1.00 0.00 H ATOM 144 H TRP A 7 15.551 15.536 20.644 1.00 0.00 H ATOM 145 N ALA A 8 17.704 13.519 19.020 1.00 11.97 N ATOM 146 CA ALA A 8 18.745 12.541 18.727 1.00 8.89 C ATOM 147 C ALA A 8 18.178 11.111 18.731 1.00 9.66 C ATOM 148 O ALA A 8 18.542 10.284 17.896 1.00 9.57 O ATOM 149 CB ALA A 8 19.847 12.660 19.744 1.00 7.42 C ATOM 150 HA ALA A 8 19.141 12.744 17.732 1.00 0.00 H ATOM 151 HB1 ALA A 8 20.270 13.664 19.704 1.00 0.00 H ATOM 152 HB2 ALA A 8 19.443 12.474 20.739 1.00 0.00 H ATOM 153 HB3 ALA A 8 20.624 11.928 19.523 1.00 0.00 H ATOM 154 H ALA A 8 17.764 14.077 19.896 1.00 0.00 H ATOM 155 N GLN A 9 17.282 10.812 19.668 1.00 9.92 N ATOM 156 CA GLN A 9 16.712 9.471 19.729 1.00 10.45 C ATOM 157 C GLN A 9 15.791 9.224 18.541 1.00 10.01 C ATOM 158 O GLN A 9 15.696 8.106 18.034 1.00 10.23 O ATOM 159 CB GLN A 9 15.978 9.265 21.048 1.00 11.81 C ATOM 160 CG GLN A 9 16.931 9.109 22.234 1.00 12.96 C ATOM 161 CD GLN A 9 16.230 9.282 23.563 1.00 16.20 C ATOM 162 OE1 GLN A 9 15.100 9.782 23.616 1.00 14.09 O ATOM 163 NE2 GLN A 9 16.891 8.862 24.654 1.00 15.26 N ATOM 164 HA GLN A 9 17.524 8.745 19.678 1.00 0.00 H ATOM 165 HB2 GLN A 9 15.335 10.126 21.228 1.00 0.00 H ATOM 166 HB3 GLN A 9 15.366 8.366 20.971 1.00 0.00 H ATOM 167 HG2 GLN A 9 17.374 8.114 22.199 1.00 0.00 H ATOM 168 HG3 GLN A 9 17.718 9.859 22.152 1.00 0.00 H ATOM 169 HE22 GLN A 9 17.840 8.448 24.560 1.00 0.00 H ATOM 170 HE21 GLN A 9 16.454 8.951 25.593 1.00 0.00 H ATOM 171 H GLN A 9 16.988 11.534 20.356 1.00 0.00 H ATOM 172 N TRP A 10 15.138 10.280 18.077 1.00 11.02 N ATOM 173 CA TRP A 10 14.254 10.183 16.929 1.00 10.29 C ATOM 174 C TRP A 10 15.102 10.042 15.654 1.00 11.23 C ATOM 175 O TRP A 10 14.740 9.320 14.730 1.00 9.35 O ATOM 176 CB TRP A 10 13.366 11.422 16.848 1.00 10.26 C ATOM 177 CG TRP A 10 12.346 11.358 15.734 1.00 12.36 C ATOM 178 CD1 TRP A 10 12.178 12.270 14.732 1.00 10.30 C ATOM 179 CD2 TRP A 10 11.353 10.336 15.521 1.00 11.56 C ATOM 180 NE1 TRP A 10 11.152 11.888 13.915 1.00 12.00 N ATOM 181 CE2 TRP A 10 10.623 10.707 14.368 1.00 12.98 C ATOM 182 CE3 TRP A 10 11.012 9.150 16.190 1.00 11.27 C ATOM 183 CZ2 TRP A 10 9.560 9.932 13.859 1.00 12.95 C ATOM 184 CZ3 TRP A 10 9.957 8.374 15.688 1.00 12.33 C ATOM 185 CH2 TRP A 10 9.244 8.773 14.530 1.00 11.12 C ATOM 186 HA TRP A 10 13.611 9.309 17.031 1.00 0.00 H ATOM 187 HB2 TRP A 10 12.837 11.531 17.795 1.00 0.00 H ATOM 188 HB3 TRP A 10 14.001 12.293 16.686 1.00 0.00 H ATOM 189 HE1 TRP A 10 10.823 12.412 13.079 1.00 0.00 H ATOM 190 HD1 TRP A 10 12.776 13.172 14.603 1.00 0.00 H ATOM 191 HZ2 TRP A 10 9.011 10.239 12.969 1.00 0.00 H ATOM 192 HH2 TRP A 10 8.429 8.149 14.163 1.00 0.00 H ATOM 193 HZ3 TRP A 10 9.681 7.450 16.196 1.00 0.00 H ATOM 194 HE3 TRP A 10 11.556 8.838 17.082 1.00 0.00 H ATOM 195 H TRP A 10 15.262 11.200 18.546 1.00 0.00 H ATOM 196 N PHE A 11 16.232 10.743 15.604 1.00 10.88 N ATOM 197 CA PHE A 11 17.112 10.647 14.453 1.00 10.67 C ATOM 198 C PHE A 11 17.573 9.190 14.327 1.00 10.93 C ATOM 199 O PHE A 11 17.610 8.609 13.237 1.00 11.53 O ATOM 200 CB PHE A 11 18.328 11.560 14.641 1.00 10.49 C ATOM 201 CG PHE A 11 19.388 11.365 13.598 1.00 10.22 C ATOM 202 CD1 PHE A 11 19.373 12.114 12.428 1.00 11.06 C ATOM 203 CD2 PHE A 11 20.394 10.416 13.777 1.00 11.31 C ATOM 204 CE1 PHE A 11 20.347 11.919 11.446 1.00 11.98 C ATOM 205 CE2 PHE A 11 21.373 10.213 12.803 1.00 11.60 C ATOM 206 CZ PHE A 11 21.351 10.964 11.636 1.00 10.00 C ATOM 207 HA PHE A 11 16.584 10.959 13.552 1.00 0.00 H ATOM 208 HB2 PHE A 11 17.991 12.596 14.602 1.00 0.00 H ATOM 209 HB3 PHE A 11 18.764 11.357 15.619 1.00 0.00 H ATOM 210 HD2 PHE A 11 20.416 9.824 14.692 1.00 0.00 H ATOM 211 HE2 PHE A 11 22.152 9.467 12.958 1.00 0.00 H ATOM 212 HZ PHE A 11 22.112 10.810 10.871 1.00 0.00 H ATOM 213 HE1 PHE A 11 20.325 12.511 10.531 1.00 0.00 H ATOM 214 HD1 PHE A 11 18.594 12.861 12.275 1.00 0.00 H ATOM 215 H PHE A 11 16.487 11.366 16.397 1.00 0.00 H ATOM 216 N GLU A 12 17.927 8.600 15.460 1.00 10.94 N ATOM 217 CA GLU A 12 18.394 7.220 15.499 1.00 12.56 C ATOM 218 C GLU A 12 17.295 6.259 15.031 1.00 12.20 C ATOM 219 O GLU A 12 17.559 5.307 14.292 1.00 11.98 O ATOM 220 CB GLU A 12 18.838 6.879 16.933 1.00 14.93 C ATOM 221 CG GLU A 12 19.534 5.537 17.071 1.00 18.35 C ATOM 222 CD GLU A 12 20.070 5.318 18.462 1.00 19.39 C ATOM 223 OE1 GLU A 12 19.459 5.859 19.409 1.00 19.06 O ATOM 224 OE2 GLU A 12 21.095 4.617 18.603 1.00 18.15 O ATOM 225 HA GLU A 12 19.240 7.109 14.821 1.00 0.00 H ATOM 226 HB2 GLU A 12 19.524 7.656 17.272 1.00 0.00 H ATOM 227 HB3 GLU A 12 17.955 6.873 17.571 1.00 0.00 H ATOM 228 HG2 GLU A 12 18.821 4.745 16.840 1.00 0.00 H ATOM 229 HG3 GLU A 12 20.363 5.496 16.364 1.00 0.00 H ATOM 230 H GLU A 12 17.870 9.138 16.348 1.00 0.00 H ATOM 231 N THR A 13 16.062 6.532 15.458 1.00 11.42 N ATOM 232 CA THR A 13 14.900 5.715 15.109 1.00 10.15 C ATOM 233 C THR A 13 14.608 5.800 13.611 1.00 10.47 C ATOM 234 O THR A 13 14.314 4.793 12.970 1.00 10.11 O ATOM 235 CB THR A 13 13.650 6.179 15.895 1.00 9.28 C ATOM 236 OG1 THR A 13 13.902 6.048 17.298 1.00 8.74 O ATOM 237 CG2 THR A 13 12.404 5.343 15.509 1.00 8.10 C ATOM 238 HA THR A 13 15.131 4.683 15.373 1.00 0.00 H ATOM 239 HB THR A 13 13.449 7.221 15.645 1.00 0.00 H ATOM 240 HG1 THR A 13 14.679 6.609 17.546 1.00 0.00 H ATOM 241 HG23 THR A 13 12.216 5.446 14.440 1.00 0.00 H ATOM 242 HG21 THR A 13 12.583 4.295 15.749 1.00 0.00 H ATOM 243 HG22 THR A 13 11.540 5.702 16.067 1.00 0.00 H ATOM 244 H THR A 13 15.920 7.363 16.067 1.00 0.00 H ATOM 245 N GLN A 14 14.724 7.007 13.060 1.00 10.63 N ATOM 246 CA GLN A 14 14.449 7.253 11.649 1.00 11.77 C ATOM 247 C GLN A 14 15.547 6.929 10.638 1.00 11.05 C ATOM 248 O GLN A 14 15.257 6.425 9.559 1.00 10.63 O ATOM 249 CB GLN A 14 14.081 8.725 11.428 1.00 13.02 C ATOM 250 CG GLN A 14 12.707 9.167 11.895 1.00 12.83 C ATOM 251 CD GLN A 14 12.266 10.439 11.175 1.00 13.03 C ATOM 252 OE1 GLN A 14 11.268 10.442 10.456 1.00 14.80 O ATOM 253 NE2 GLN A 14 13.027 11.519 11.352 1.00 11.63 N ATOM 254 HA GLN A 14 13.639 6.550 11.453 1.00 0.00 H ATOM 255 HB2 GLN A 14 14.819 9.332 11.954 1.00 0.00 H ATOM 256 HB3 GLN A 14 14.145 8.924 10.358 1.00 0.00 H ATOM 257 HG2 GLN A 14 11.988 8.374 11.690 1.00 0.00 H ATOM 258 HG3 GLN A 14 12.739 9.357 12.968 1.00 0.00 H ATOM 259 HE22 GLN A 14 13.862 11.471 11.970 1.00 0.00 H ATOM 260 HE21 GLN A 14 12.785 12.410 10.873 1.00 0.00 H ATOM 261 H GLN A 14 15.022 7.804 13.658 1.00 0.00 H ATOM 262 N HIS A 15 16.798 7.221 10.985 1.00 11.90 N ATOM 263 CA HIS A 15 17.893 7.049 10.043 1.00 10.59 C ATOM 264 C HIS A 15 19.055 6.151 10.391 1.00 10.98 C ATOM 265 O HIS A 15 20.004 6.085 9.615 1.00 14.41 O ATOM 266 CB HIS A 15 18.450 8.423 9.676 1.00 11.09 C ATOM 267 CG HIS A 15 17.394 9.437 9.360 1.00 10.62 C ATOM 268 ND1 HIS A 15 16.676 9.420 8.185 1.00 11.83 N ATOM 269 CD2 HIS A 15 16.925 10.489 10.072 1.00 11.47 C ATOM 270 CE1 HIS A 15 15.809 10.417 8.184 1.00 11.64 C ATOM 271 NE2 HIS A 15 15.940 11.081 9.318 1.00 10.74 N ATOM 272 HA HIS A 15 17.406 6.510 9.230 1.00 0.00 H ATOM 273 HB2 HIS A 15 19.040 8.791 10.515 1.00 0.00 H ATOM 274 HB3 HIS A 15 19.093 8.312 8.803 1.00 0.00 H ATOM 275 HD2 HIS A 15 17.265 10.807 11.058 1.00 0.00 H ATOM 276 HE1 HIS A 15 15.106 10.651 7.384 1.00 0.00 H ATOM 277 H HIS A 15 16.995 7.577 11.942 1.00 0.00 H ATOM 278 N ILE A 16 19.015 5.470 11.532 1.00 10.69 N ATOM 279 CA ILE A 16 20.126 4.585 11.900 1.00 11.55 C ATOM 280 C ILE A 16 19.697 3.165 12.250 1.00 13.73 C ATOM 281 O ILE A 16 20.309 2.190 11.798 1.00 14.98 O ATOM 282 CB ILE A 16 20.944 5.127 13.105 1.00 10.23 C ATOM 283 CG1 ILE A 16 21.567 6.490 12.757 1.00 10.17 C ATOM 284 CG2 ILE A 16 22.019 4.102 13.500 1.00 10.48 C ATOM 285 CD1 ILE A 16 22.634 6.439 11.679 1.00 9.27 C ATOM 286 HA ILE A 16 20.738 4.561 10.999 1.00 0.00 H ATOM 287 HB ILE A 16 20.282 5.276 13.958 1.00 0.00 H ATOM 288 HG12 ILE A 16 20.770 7.152 12.417 1.00 0.00 H ATOM 289 HG13 ILE A 16 22.016 6.900 13.662 1.00 0.00 H ATOM 290 HD11 ILE A 16 23.448 5.792 12.006 1.00 0.00 H ATOM 291 HD12 ILE A 16 22.201 6.044 10.760 1.00 0.00 H ATOM 292 HD13 ILE A 16 23.016 7.444 11.500 1.00 0.00 H ATOM 293 HG21 ILE A 16 21.539 3.164 13.779 1.00 0.00 H ATOM 294 HG22 ILE A 16 22.686 3.933 12.655 1.00 0.00 H ATOM 295 HG23 ILE A 16 22.591 4.485 14.345 1.00 0.00 H ATOM 296 H ILE A 16 18.195 5.565 12.165 1.00 0.00 H ATOM 297 N ASN A 17 18.662 3.036 13.069 1.00 12.95 N ATOM 298 CA ASN A 17 18.210 1.705 13.451 1.00 13.02 C ATOM 299 C ASN A 17 17.177 1.139 12.489 1.00 12.61 C ATOM 300 O ASN A 17 15.972 1.248 12.724 1.00 11.90 O ATOM 301 CB ASN A 17 17.654 1.730 14.868 1.00 13.75 C ATOM 302 CG ASN A 17 18.745 1.915 15.913 1.00 15.29 C ATOM 303 OD1 ASN A 17 19.929 1.641 15.658 1.00 13.47 O ATOM 304 ND2 ASN A 17 18.356 2.384 17.089 1.00 15.06 N ATOM 305 HA ASN A 17 19.077 1.046 13.409 1.00 0.00 H ATOM 306 HB2 ASN A 17 16.944 2.553 14.952 1.00 0.00 H ATOM 307 HB3 ASN A 17 17.140 0.788 15.060 1.00 0.00 H ATOM 308 HD22 ASN A 17 17.352 2.599 17.257 1.00 0.00 H ATOM 309 HD21 ASN A 17 19.054 2.537 17.845 1.00 0.00 H ATOM 310 H ASN A 17 18.176 3.879 13.436 1.00 0.00 H ATOM 311 N MET A 18 17.647 0.556 11.385 1.00 11.13 N ATOM 312 CA MET A 18 16.719 -0.044 10.439 1.00 11.30 C ATOM 313 C MET A 18 16.408 -1.434 11.004 1.00 11.55 C ATOM 314 O MET A 18 17.179 -2.388 10.835 1.00 11.57 O ATOM 315 CB MET A 18 17.343 -0.124 9.043 1.00 12.24 C ATOM 316 CG MET A 18 16.299 -0.138 7.951 1.00 11.89 C ATOM 317 SD MET A 18 17.001 -0.222 6.315 1.00 13.55 S ATOM 318 CE MET A 18 15.523 -0.731 5.333 1.00 9.26 C ATOM 319 HA MET A 18 15.810 0.546 10.323 1.00 0.00 H ATOM 320 HB2 MET A 18 17.991 0.740 8.898 1.00 0.00 H ATOM 321 HB3 MET A 18 17.935 -1.037 8.975 1.00 0.00 H ATOM 322 HG2 MET A 18 15.704 0.772 8.027 1.00 0.00 H ATOM 323 HG3 MET A 18 15.655 -1.005 8.097 1.00 0.00 H ATOM 324 HE1 MET A 18 15.156 -1.689 5.702 1.00 0.00 H ATOM 325 HE2 MET A 18 14.743 0.023 5.436 1.00 0.00 H ATOM 326 HE3 MET A 18 15.801 -0.827 4.283 1.00 0.00 H ATOM 327 H MET A 18 18.670 0.531 11.202 1.00 0.00 H ATOM 328 N THR A 19 15.267 -1.531 11.682 1.00 10.67 N ATOM 329 CA THR A 19 14.866 -2.765 12.359 1.00 11.40 C ATOM 330 C THR A 19 14.682 -4.004 11.475 1.00 11.33 C ATOM 331 O THR A 19 14.551 -5.108 11.982 1.00 10.70 O ATOM 332 CB THR A 19 13.600 -2.513 13.216 1.00 11.06 C ATOM 333 OG1 THR A 19 12.522 -2.050 12.381 1.00 10.86 O ATOM 334 CG2 THR A 19 13.907 -1.446 14.298 1.00 9.90 C ATOM 335 HA THR A 19 15.721 -3.020 12.986 1.00 0.00 H ATOM 336 HB THR A 19 13.306 -3.447 13.696 1.00 0.00 H ATOM 337 HG1 THR A 19 12.789 -1.206 11.938 1.00 0.00 H ATOM 338 HG23 THR A 19 14.723 -1.796 14.930 1.00 0.00 H ATOM 339 HG21 THR A 19 14.195 -0.513 13.815 1.00 0.00 H ATOM 340 HG22 THR A 19 13.018 -1.282 14.907 1.00 0.00 H ATOM 341 H THR A 19 14.640 -0.703 11.732 1.00 0.00 H ATOM 342 N SER A 20 14.697 -3.797 10.161 1.00 11.51 N ATOM 343 CA SER A 20 14.567 -4.852 9.165 1.00 12.77 C ATOM 344 C SER A 20 15.186 -4.302 7.882 1.00 12.07 C ATOM 345 O SER A 20 15.029 -3.122 7.573 1.00 11.80 O ATOM 346 CB SER A 20 13.093 -5.195 8.911 1.00 11.58 C ATOM 347 OG SER A 20 12.935 -5.890 7.684 1.00 11.17 O ATOM 348 HA SER A 20 15.060 -5.763 9.506 1.00 0.00 H ATOM 349 HB2 SER A 20 12.513 -4.273 8.875 1.00 0.00 H ATOM 350 HB3 SER A 20 12.727 -5.821 9.725 1.00 0.00 H ATOM 351 HG SER A 20 13.456 -6.731 7.713 1.00 0.00 H ATOM 352 H SER A 20 14.809 -2.820 9.823 1.00 0.00 H ATOM 353 N GLN A 21 15.891 -5.153 7.145 1.00 11.47 N ATOM 354 CA GLN A 21 16.520 -4.741 5.898 1.00 11.06 C ATOM 355 C GLN A 21 15.467 -4.497 4.815 1.00 11.21 C ATOM 356 O GLN A 21 15.777 -4.002 3.734 1.00 12.46 O ATOM 357 CB GLN A 21 17.521 -5.808 5.440 1.00 11.89 C ATOM 358 CG GLN A 21 18.787 -5.888 6.284 1.00 9.59 C ATOM 359 CD GLN A 21 19.883 -6.689 5.598 1.00 11.79 C ATOM 360 OE1 GLN A 21 20.188 -6.461 4.428 1.00 11.86 O ATOM 361 NE2 GLN A 21 20.473 -7.636 6.320 1.00 9.38 N ATOM 362 HA GLN A 21 17.053 -3.806 6.069 1.00 0.00 H ATOM 363 HB2 GLN A 21 17.025 -6.778 5.476 1.00 0.00 H ATOM 364 HB3 GLN A 21 17.810 -5.586 4.413 1.00 0.00 H ATOM 365 HG2 GLN A 21 19.152 -4.877 6.467 1.00 0.00 H ATOM 366 HG3 GLN A 21 18.546 -6.364 7.235 1.00 0.00 H ATOM 367 HE22 GLN A 21 20.183 -7.794 7.306 1.00 0.00 H ATOM 368 HE21 GLN A 21 21.224 -8.219 5.899 1.00 0.00 H ATOM 369 H GLN A 21 15.996 -6.137 7.466 1.00 0.00 H ATOM 370 N GLN A 22 14.224 -4.854 5.115 1.00 12.52 N ATOM 371 CA GLN A 22 13.101 -4.659 4.202 1.00 14.54 C ATOM 372 C GLN A 22 12.452 -3.333 4.600 1.00 11.56 C ATOM 373 O GLN A 22 12.087 -3.165 5.754 1.00 13.37 O ATOM 374 CB GLN A 22 12.084 -5.787 4.384 1.00 19.02 C ATOM 375 CG GLN A 22 12.011 -6.767 3.239 1.00 30.35 C ATOM 376 CD GLN A 22 11.377 -6.159 2.002 1.00 34.96 C ATOM 377 OE1 GLN A 22 10.172 -6.323 1.743 1.00 39.86 O ATOM 378 NE2 GLN A 22 12.183 -5.444 1.231 1.00 38.30 N ATOM 379 HA GLN A 22 13.432 -4.655 3.164 1.00 0.00 H ATOM 380 HB2 GLN A 22 12.348 -6.339 5.286 1.00 0.00 H ATOM 381 HB3 GLN A 22 11.099 -5.338 4.509 1.00 0.00 H ATOM 382 HG2 GLN A 22 13.021 -7.094 2.991 1.00 0.00 H ATOM 383 HG3 GLN A 22 11.419 -7.627 3.550 1.00 0.00 H ATOM 384 HE22 GLN A 22 13.185 -5.334 1.487 1.00 0.00 H ATOM 385 HE21 GLN A 22 11.814 -4.993 0.370 1.00 0.00 H ATOM 386 H GLN A 22 14.042 -5.292 6.041 1.00 0.00 H ATOM 387 N CYS A 23 12.283 -2.409 3.660 1.00 10.42 N ATOM 388 CA CYS A 23 11.699 -1.093 3.971 1.00 11.24 C ATOM 389 C CYS A 23 10.274 -1.127 4.533 1.00 11.93 C ATOM 390 O CYS A 23 9.943 -0.367 5.441 1.00 11.26 O ATOM 391 CB CYS A 23 11.729 -0.189 2.730 1.00 9.93 C ATOM 392 SG CYS A 23 13.295 0.720 2.514 1.00 11.72 S ATOM 393 HA CYS A 23 12.327 -0.694 4.768 1.00 0.00 H ATOM 394 HB2 CYS A 23 10.920 0.536 2.814 1.00 0.00 H ATOM 395 HB3 CYS A 23 11.568 -0.810 1.849 1.00 0.00 H ATOM 396 H CYS A 23 12.570 -2.620 2.683 1.00 0.00 H ATOM 397 N THR A 24 9.425 -1.995 3.987 1.00 13.60 N ATOM 398 CA THR A 24 8.056 -2.086 4.470 1.00 14.04 C ATOM 399 C THR A 24 8.003 -2.349 5.978 1.00 13.44 C ATOM 400 O THR A 24 7.251 -1.691 6.700 1.00 14.16 O ATOM 401 CB THR A 24 7.280 -3.171 3.709 1.00 15.70 C ATOM 402 OG1 THR A 24 6.974 -2.688 2.397 1.00 15.83 O ATOM 403 CG2 THR A 24 5.972 -3.507 4.428 1.00 17.60 C ATOM 404 HA THR A 24 7.582 -1.122 4.285 1.00 0.00 H ATOM 405 HB THR A 24 7.894 -4.070 3.656 1.00 0.00 H ATOM 406 HG1 THR A 24 7.815 -2.480 1.919 1.00 0.00 H ATOM 407 HG23 THR A 24 6.194 -3.876 5.429 1.00 0.00 H ATOM 408 HG21 THR A 24 5.357 -2.610 4.498 1.00 0.00 H ATOM 409 HG22 THR A 24 5.437 -4.273 3.867 1.00 0.00 H ATOM 410 H THR A 24 9.742 -2.611 3.211 1.00 0.00 H ATOM 411 N ASN A 25 8.804 -3.292 6.462 1.00 13.09 N ATOM 412 CA ASN A 25 8.827 -3.595 7.887 1.00 12.79 C ATOM 413 C ASN A 25 9.540 -2.509 8.685 1.00 12.75 C ATOM 414 O ASN A 25 9.082 -2.119 9.752 1.00 14.70 O ATOM 415 CB ASN A 25 9.502 -4.943 8.125 1.00 14.95 C ATOM 416 CG ASN A 25 8.810 -6.069 7.390 1.00 19.92 C ATOM 417 OD1 ASN A 25 7.590 -6.048 7.205 1.00 23.97 O ATOM 418 ND2 ASN A 25 9.580 -7.050 6.952 1.00 23.11 N ATOM 419 HA ASN A 25 7.794 -3.638 8.232 1.00 0.00 H ATOM 420 HB2 ASN A 25 10.535 -4.883 7.783 1.00 0.00 H ATOM 421 HB3 ASN A 25 9.486 -5.159 9.193 1.00 0.00 H ATOM 422 HD22 ASN A 25 10.604 -7.027 7.131 1.00 0.00 H ATOM 423 HD21 ASN A 25 9.162 -7.845 6.429 1.00 0.00 H ATOM 424 H ASN A 25 9.423 -3.821 5.815 1.00 0.00 H ATOM 425 N ALA A 26 10.662 -2.024 8.167 1.00 11.44 N ATOM 426 CA ALA A 26 11.430 -0.985 8.838 1.00 10.87 C ATOM 427 C ALA A 26 10.578 0.270 9.038 1.00 10.86 C ATOM 428 O ALA A 26 10.633 0.905 10.096 1.00 10.79 O ATOM 429 CB ALA A 26 12.668 -0.642 8.013 1.00 9.02 C ATOM 430 HA ALA A 26 11.737 -1.357 9.815 1.00 0.00 H ATOM 431 HB1 ALA A 26 13.287 -1.532 7.901 1.00 0.00 H ATOM 432 HB2 ALA A 26 12.361 -0.286 7.030 1.00 0.00 H ATOM 433 HB3 ALA A 26 13.238 0.136 8.521 1.00 0.00 H ATOM 434 H ALA A 26 11.002 -2.396 7.257 1.00 0.00 H ATOM 435 N MET A 27 9.794 0.622 8.018 1.00 11.01 N ATOM 436 CA MET A 27 8.949 1.817 8.082 1.00 11.38 C ATOM 437 C MET A 27 7.779 1.719 9.054 1.00 11.53 C ATOM 438 O MET A 27 7.289 2.738 9.526 1.00 11.03 O ATOM 439 CB MET A 27 8.422 2.187 6.691 1.00 10.50 C ATOM 440 CG MET A 27 9.467 2.805 5.757 1.00 12.82 C ATOM 441 SD MET A 27 10.527 4.084 6.469 1.00 11.31 S ATOM 442 CE MET A 27 9.364 5.423 6.614 1.00 13.05 C ATOM 443 HA MET A 27 9.604 2.599 8.466 1.00 0.00 H ATOM 444 HB2 MET A 27 8.038 1.282 6.221 1.00 0.00 H ATOM 445 HB3 MET A 27 7.610 2.903 6.814 1.00 0.00 H ATOM 446 HG2 MET A 27 8.938 3.245 4.912 1.00 0.00 H ATOM 447 HG3 MET A 27 10.111 2.001 5.401 1.00 0.00 H ATOM 448 HE1 MET A 27 8.975 5.673 5.627 1.00 0.00 H ATOM 449 HE2 MET A 27 8.543 5.120 7.264 1.00 0.00 H ATOM 450 HE3 MET A 27 9.864 6.293 7.040 1.00 0.00 H ATOM 451 H MET A 27 9.782 0.036 7.159 1.00 0.00 H ATOM 452 N GLN A 28 7.312 0.514 9.357 1.00 12.31 N ATOM 453 CA GLN A 28 6.209 0.403 10.300 1.00 14.30 C ATOM 454 C GLN A 28 6.588 1.027 11.646 1.00 12.48 C ATOM 455 O GLN A 28 5.745 1.559 12.346 1.00 12.87 O ATOM 456 CB GLN A 28 5.827 -1.054 10.510 1.00 15.79 C ATOM 457 CG GLN A 28 5.254 -1.699 9.281 1.00 21.28 C ATOM 458 CD GLN A 28 4.974 -3.175 9.493 1.00 25.80 C ATOM 459 OE1 GLN A 28 5.827 -3.924 9.974 1.00 28.54 O ATOM 460 NE2 GLN A 28 3.769 -3.602 9.133 1.00 30.49 N ATOM 461 HA GLN A 28 5.357 0.939 9.883 1.00 0.00 H ATOM 462 HB2 GLN A 28 6.718 -1.606 10.808 1.00 0.00 H ATOM 463 HB3 GLN A 28 5.085 -1.106 11.307 1.00 0.00 H ATOM 464 HG2 GLN A 28 4.322 -1.197 9.022 1.00 0.00 H ATOM 465 HG3 GLN A 28 5.964 -1.589 8.462 1.00 0.00 H ATOM 466 HE22 GLN A 28 3.080 -2.935 8.731 1.00 0.00 H ATOM 467 HE21 GLN A 28 3.515 -4.603 9.253 1.00 0.00 H ATOM 468 H GLN A 28 7.728 -0.337 8.927 1.00 0.00 H ATOM 469 N VAL A 29 7.856 0.960 12.013 1.00 11.78 N ATOM 470 CA VAL A 29 8.276 1.527 13.282 1.00 12.37 C ATOM 471 C VAL A 29 8.089 3.044 13.258 1.00 12.26 C ATOM 472 O VAL A 29 7.501 3.629 14.169 1.00 11.16 O ATOM 473 CB VAL A 29 9.752 1.197 13.574 1.00 12.72 C ATOM 474 CG1 VAL A 29 10.222 1.988 14.788 1.00 9.74 C ATOM 475 CG2 VAL A 29 9.916 -0.311 13.797 1.00 10.00 C ATOM 476 HA VAL A 29 7.661 1.091 14.069 1.00 0.00 H ATOM 477 HB VAL A 29 10.367 1.481 12.720 1.00 0.00 H ATOM 478 HG11 VAL A 29 10.122 3.054 14.586 1.00 0.00 H ATOM 479 HG12 VAL A 29 9.613 1.721 15.652 1.00 0.00 H ATOM 480 HG13 VAL A 29 11.266 1.752 14.992 1.00 0.00 H ATOM 481 HG21 VAL A 29 9.304 -0.620 14.644 1.00 0.00 H ATOM 482 HG22 VAL A 29 9.598 -0.846 12.902 1.00 0.00 H ATOM 483 HG23 VAL A 29 10.963 -0.535 14.003 1.00 0.00 H ATOM 484 H VAL A 29 8.553 0.501 11.393 1.00 0.00 H ATOM 485 N ILE A 30 8.585 3.673 12.200 1.00 11.35 N ATOM 486 CA ILE A 30 8.478 5.119 12.054 1.00 12.91 C ATOM 487 C ILE A 30 7.013 5.548 11.945 1.00 13.11 C ATOM 488 O ILE A 30 6.573 6.489 12.617 1.00 11.82 O ATOM 489 CB ILE A 30 9.238 5.594 10.790 1.00 13.09 C ATOM 490 CG1 ILE A 30 10.748 5.402 10.993 1.00 12.47 C ATOM 491 CG2 ILE A 30 8.880 7.034 10.479 1.00 11.96 C ATOM 492 CD1 ILE A 30 11.603 5.748 9.767 1.00 12.27 C ATOM 493 HA ILE A 30 8.921 5.575 12.939 1.00 0.00 H ATOM 494 HB ILE A 30 8.941 4.994 9.930 1.00 0.00 H ATOM 495 HG12 ILE A 30 11.064 6.038 11.820 1.00 0.00 H ATOM 496 HG13 ILE A 30 10.927 4.358 11.250 1.00 0.00 H ATOM 497 HD11 ILE A 30 11.311 5.112 8.931 1.00 0.00 H ATOM 498 HD12 ILE A 30 11.448 6.794 9.501 1.00 0.00 H ATOM 499 HD13 ILE A 30 12.655 5.583 10.001 1.00 0.00 H ATOM 500 HG21 ILE A 30 7.807 7.110 10.302 1.00 0.00 H ATOM 501 HG22 ILE A 30 9.157 7.666 11.323 1.00 0.00 H ATOM 502 HG23 ILE A 30 9.420 7.357 9.589 1.00 0.00 H ATOM 503 H ILE A 30 9.061 3.121 11.458 1.00 0.00 H ATOM 504 N ASN A 31 6.277 4.825 11.101 1.00 12.57 N ATOM 505 CA ASN A 31 4.868 5.091 10.823 1.00 13.99 C ATOM 506 C ASN A 31 3.976 4.908 12.028 1.00 14.14 C ATOM 507 O ASN A 31 3.059 5.701 12.253 1.00 16.32 O ATOM 508 CB ASN A 31 4.376 4.189 9.688 1.00 13.41 C ATOM 509 CG ASN A 31 5.035 4.508 8.373 1.00 12.90 C ATOM 510 OD1 ASN A 31 5.646 5.568 8.216 1.00 16.16 O ATOM 511 ND2 ASN A 31 4.921 3.595 7.415 1.00 14.14 N ATOM 512 HA ASN A 31 4.806 6.140 10.533 1.00 0.00 H ATOM 513 HB2 ASN A 31 4.593 3.152 9.946 1.00 0.00 H ATOM 514 HB3 ASN A 31 3.299 4.318 9.580 1.00 0.00 H ATOM 515 HD22 ASN A 31 4.396 2.716 7.595 1.00 0.00 H ATOM 516 HD21 ASN A 31 5.357 3.759 6.485 1.00 0.00 H ATOM 517 H ASN A 31 6.731 4.027 10.613 1.00 0.00 H ATOM 518 N ASN A 32 4.240 3.864 12.798 1.00 14.06 N ATOM 519 CA ASN A 32 3.464 3.594 13.996 1.00 16.22 C ATOM 520 C ASN A 32 3.722 4.672 15.036 1.00 17.64 C ATOM 521 O ASN A 32 2.874 4.956 15.877 1.00 17.93 O ATOM 522 CB ASN A 32 3.840 2.230 14.573 1.00 17.40 C ATOM 523 CG ASN A 32 3.128 1.093 13.873 1.00 22.33 C ATOM 524 OD1 ASN A 32 2.006 1.262 13.380 1.00 23.39 O ATOM 525 ND2 ASN A 32 3.773 -0.075 13.819 1.00 25.46 N ATOM 526 HA ASN A 32 2.406 3.591 13.732 1.00 0.00 H ATOM 527 HB2 ASN A 32 4.916 2.089 14.467 1.00 0.00 H ATOM 528 HB3 ASN A 32 3.575 2.211 15.630 1.00 0.00 H ATOM 529 HD22 ASN A 32 4.716 -0.169 14.248 1.00 0.00 H ATOM 530 HD21 ASN A 32 3.333 -0.891 13.348 1.00 0.00 H ATOM 531 H ASN A 32 5.018 3.224 12.540 1.00 0.00 H ATOM 532 N TYR A 33 4.899 5.277 14.979 1.00 18.11 N ATOM 533 CA TYR A 33 5.240 6.301 15.940 1.00 17.36 C ATOM 534 C TYR A 33 4.699 7.677 15.557 1.00 18.60 C ATOM 535 O TYR A 33 4.210 8.410 16.416 1.00 18.55 O ATOM 536 CB TYR A 33 6.761 6.346 16.136 1.00 15.45 C ATOM 537 CG TYR A 33 7.274 5.380 17.204 1.00 13.57 C ATOM 538 CD1 TYR A 33 6.642 5.283 18.445 1.00 13.53 C ATOM 539 CD2 TYR A 33 8.416 4.598 16.987 1.00 13.29 C ATOM 540 CE1 TYR A 33 7.130 4.445 19.444 1.00 13.16 C ATOM 541 CE2 TYR A 33 8.918 3.749 17.980 1.00 11.39 C ATOM 542 CZ TYR A 33 8.271 3.683 19.210 1.00 13.92 C ATOM 543 OH TYR A 33 8.766 2.886 20.226 1.00 16.16 O ATOM 544 HA TYR A 33 4.760 6.036 16.882 1.00 0.00 H ATOM 545 HB3 TYR A 33 7.041 7.359 16.425 1.00 0.00 H ATOM 546 HB2 TYR A 33 7.238 6.096 15.188 1.00 0.00 H ATOM 547 HD2 TYR A 33 8.924 4.652 16.024 1.00 0.00 H ATOM 548 HE2 TYR A 33 9.806 3.146 17.792 1.00 0.00 H ATOM 549 HE1 TYR A 33 6.620 4.386 20.406 1.00 0.00 H ATOM 550 HD1 TYR A 33 5.748 5.876 18.636 1.00 0.00 H ATOM 551 HH TYR A 33 8.180 2.964 21.020 1.00 0.00 H ATOM 552 H TYR A 33 5.581 5.014 14.239 1.00 0.00 H ATOM 553 N GLN A 34 4.762 8.033 14.281 1.00 18.38 N ATOM 554 CA GLN A 34 4.272 9.348 13.874 1.00 20.85 C ATOM 555 C GLN A 34 2.824 9.369 13.367 1.00 21.16 C ATOM 556 O GLN A 34 2.338 10.406 12.910 1.00 21.48 O ATOM 557 CB GLN A 34 5.215 9.970 12.837 1.00 21.44 C ATOM 558 CG GLN A 34 4.972 9.536 11.410 1.00 26.68 C ATOM 559 CD GLN A 34 6.016 10.103 10.451 1.00 30.51 C ATOM 560 OE1 GLN A 34 5.851 10.043 9.226 1.00 32.67 O ATOM 561 NE2 GLN A 34 7.096 10.657 11.006 1.00 29.43 N ATOM 562 HA GLN A 34 4.264 9.948 14.784 1.00 0.00 H ATOM 563 HB2 GLN A 34 5.103 11.053 12.885 1.00 0.00 H ATOM 564 HB3 GLN A 34 6.237 9.699 13.104 1.00 0.00 H ATOM 565 HG2 GLN A 34 5.006 8.448 11.363 1.00 0.00 H ATOM 566 HG3 GLN A 34 3.986 9.882 11.100 1.00 0.00 H ATOM 567 HE22 GLN A 34 7.192 10.685 12.041 1.00 0.00 H ATOM 568 HE21 GLN A 34 7.841 11.061 10.403 1.00 0.00 H ATOM 569 H GLN A 34 5.158 7.380 13.575 1.00 0.00 H ATOM 570 N ARG A 35 2.137 8.229 13.468 1.00 20.95 N ATOM 571 CA ARG A 35 0.738 8.108 13.049 1.00 21.97 C ATOM 572 C ARG A 35 0.461 8.595 11.640 1.00 23.28 C ATOM 573 O ARG A 35 -0.415 9.428 11.423 1.00 23.24 O ATOM 574 CB ARG A 35 -0.169 8.868 14.018 1.00 20.94 C ATOM 575 CG ARG A 35 0.128 8.574 15.465 1.00 19.86 C ATOM 576 CD ARG A 35 0.241 7.087 15.697 1.00 18.78 C ATOM 577 NE ARG A 35 -1.022 6.404 15.431 1.00 18.69 N ATOM 578 CZ ARG A 35 -1.115 5.111 15.149 1.00 17.92 C ATOM 579 NH1 ARG A 35 -0.019 4.371 15.096 1.00 16.61 N ATOM 580 NH2 ARG A 35 -2.297 4.555 14.931 1.00 17.20 N ATOM 581 HA ARG A 35 0.526 7.039 13.061 1.00 0.00 H ATOM 582 HB2 ARG A 35 -0.039 9.937 13.848 1.00 0.00 H ATOM 583 HB3 ARG A 35 -1.203 8.592 13.813 1.00 0.00 H ATOM 584 HG2 ARG A 35 1.068 9.052 15.742 1.00 0.00 H ATOM 585 HG3 ARG A 35 -0.676 8.972 16.083 1.00 0.00 H ATOM 586 HD2 ARG A 35 0.527 6.911 16.734 1.00 0.00 H ATOM 587 HD3 ARG A 35 1.008 6.683 15.036 1.00 0.00 H ATOM 588 HE ARG A 35 -1.898 6.963 15.465 1.00 0.00 H ATOM 589 HH12 ARG A 35 -0.086 3.357 14.875 1.00 0.00 H ATOM 590 HH11 ARG A 35 0.910 4.804 15.275 1.00 0.00 H ATOM 591 HH22 ARG A 35 -2.362 3.541 14.710 1.00 0.00 H ATOM 592 HH21 ARG A 35 -3.160 5.133 14.980 1.00 0.00 H ATOM 593 H ARG A 35 2.614 7.392 13.860 1.00 0.00 H ATOM 594 N ARG A 36 1.217 8.070 10.688 1.00 24.61 N ATOM 595 CA ARG A 36 1.070 8.423 9.285 1.00 24.75 C ATOM 596 C ARG A 36 2.175 7.675 8.565 1.00 24.23 C ATOM 597 O ARG A 36 3.224 7.403 9.146 1.00 22.93 O ATOM 598 CB ARG A 36 1.258 9.929 9.072 1.00 27.65 C ATOM 599 CG ARG A 36 2.680 10.322 8.681 1.00 29.93 C ATOM 600 CD ARG A 36 2.871 11.822 8.551 1.00 33.14 C ATOM 601 NE ARG A 36 4.281 12.172 8.714 1.00 35.61 N ATOM 602 CZ ARG A 36 5.061 12.636 7.741 1.00 36.88 C ATOM 603 NH1 ARG A 36 6.333 12.926 7.984 1.00 36.86 N ATOM 604 NH2 ARG A 36 4.571 12.815 6.524 1.00 37.97 N ATOM 605 HA ARG A 36 0.076 8.166 8.919 1.00 0.00 H ATOM 606 HB2 ARG A 36 0.582 10.252 8.280 1.00 0.00 H ATOM 607 HB3 ARG A 36 1.002 10.442 9.999 1.00 0.00 H ATOM 608 HG2 ARG A 36 3.365 9.950 9.443 1.00 0.00 H ATOM 609 HG3 ARG A 36 2.917 9.858 7.724 1.00 0.00 H ATOM 610 HD2 ARG A 36 2.284 12.327 9.318 1.00 0.00 H ATOM 611 HD3 ARG A 36 2.532 12.144 7.566 1.00 0.00 H ATOM 612 HE ARG A 36 4.704 12.050 9.656 1.00 0.00 H ATOM 613 HH12 ARG A 36 6.939 13.288 7.220 1.00 0.00 H ATOM 614 HH11 ARG A 36 6.724 12.791 8.938 1.00 0.00 H ATOM 615 HH22 ARG A 36 5.183 13.178 5.765 1.00 0.00 H ATOM 616 HH21 ARG A 36 3.574 12.593 6.327 1.00 0.00 H ATOM 617 H ARG A 36 1.945 7.377 10.955 1.00 0.00 H ATOM 618 N CYS A 37 1.935 7.344 7.305 1.00 23.24 N ATOM 619 CA CYS A 37 2.928 6.647 6.505 1.00 22.22 C ATOM 620 C CYS A 37 3.799 7.650 5.777 1.00 21.03 C ATOM 621 O CYS A 37 3.388 8.237 4.777 1.00 21.38 O ATOM 622 CB CYS A 37 2.240 5.735 5.505 1.00 22.23 C ATOM 623 SG CYS A 37 1.328 4.414 6.349 1.00 21.96 S ATOM 624 HA CYS A 37 3.554 6.043 7.162 1.00 0.00 H ATOM 625 HB2 CYS A 37 2.991 5.289 4.853 1.00 0.00 H ATOM 626 HB3 CYS A 37 1.544 6.323 4.906 1.00 0.00 H ATOM 627 H CYS A 37 1.018 7.588 6.880 1.00 0.00 H ATOM 628 N LYS A 38 5.004 7.849 6.298 1.00 19.47 N ATOM 629 CA LYS A 38 5.953 8.774 5.711 1.00 19.36 C ATOM 630 C LYS A 38 6.166 8.429 4.234 1.00 19.60 C ATOM 631 O LYS A 38 6.331 7.266 3.883 1.00 20.14 O ATOM 632 CB LYS A 38 7.271 8.685 6.469 1.00 18.68 C ATOM 633 CG LYS A 38 7.922 10.004 6.714 1.00 18.23 C ATOM 634 CD LYS A 38 9.256 9.794 7.360 1.00 14.81 C ATOM 635 CE LYS A 38 10.234 10.854 6.913 1.00 17.21 C ATOM 636 NZ LYS A 38 11.464 10.813 7.742 1.00 17.22 N ATOM 637 HA LYS A 38 5.567 9.791 5.779 1.00 0.00 H ATOM 638 HB2 LYS A 38 7.081 8.212 7.433 1.00 0.00 H ATOM 639 HB3 LYS A 38 7.957 8.066 5.891 1.00 0.00 H ATOM 640 HG2 LYS A 38 8.056 10.524 5.766 1.00 0.00 H ATOM 641 HG3 LYS A 38 7.291 10.604 7.370 1.00 0.00 H ATOM 642 HD2 LYS A 38 9.142 9.845 8.443 1.00 0.00 H ATOM 643 HD3 LYS A 38 9.639 8.812 7.082 1.00 0.00 H ATOM 644 HE2 LYS A 38 9.769 11.835 7.010 1.00 0.00 H ATOM 645 HE3 LYS A 38 10.499 10.681 5.870 1.00 0.00 H ATOM 646 HZ1 LYS A 38 11.215 10.982 8.738 1.00 0.00 H ATOM 647 HZ2 LYS A 38 11.912 9.879 7.649 1.00 0.00 H ATOM 648 HZ3 LYS A 38 12.123 11.549 7.419 1.00 0.00 H ATOM 649 H LYS A 38 5.275 7.325 7.154 1.00 0.00 H ATOM 650 N ASN A 39 6.179 9.439 3.377 1.00 18.83 N ATOM 651 CA ASN A 39 6.354 9.209 1.946 1.00 21.29 C ATOM 652 C ASN A 39 7.763 8.727 1.566 1.00 20.81 C ATOM 653 O ASN A 39 7.919 7.821 0.744 1.00 17.89 O ATOM 654 CB ASN A 39 6.025 10.487 1.174 1.00 22.06 C ATOM 655 CG ASN A 39 5.998 10.270 -0.323 1.00 22.92 C ATOM 656 OD1 ASN A 39 6.688 10.961 -1.072 1.00 25.16 O ATOM 657 ND2 ASN A 39 5.198 9.304 -0.769 1.00 22.75 N ATOM 658 HA ASN A 39 5.667 8.406 1.677 1.00 0.00 H ATOM 659 HB2 ASN A 39 5.047 10.846 1.493 1.00 0.00 H ATOM 660 HB3 ASN A 39 6.780 11.239 1.405 1.00 0.00 H ATOM 661 HD22 ASN A 39 4.633 8.745 -0.098 1.00 0.00 H ATOM 662 HD21 ASN A 39 5.138 9.108 -1.789 1.00 0.00 H ATOM 663 H ASN A 39 6.063 10.411 3.729 1.00 0.00 H ATOM 664 N GLN A 40 8.774 9.331 2.179 1.00 21.05 N ATOM 665 CA GLN A 40 10.158 8.980 1.895 1.00 21.76 C ATOM 666 C GLN A 40 11.014 8.998 3.157 1.00 19.45 C ATOM 667 O GLN A 40 10.828 9.843 4.024 1.00 21.06 O ATOM 668 CB GLN A 40 10.745 9.970 0.895 1.00 23.72 C ATOM 669 CG GLN A 40 10.660 9.512 -0.537 1.00 32.37 C ATOM 670 CD GLN A 40 11.222 10.535 -1.500 1.00 35.68 C ATOM 671 OE1 GLN A 40 12.416 10.515 -1.822 1.00 37.79 O ATOM 672 NE2 GLN A 40 10.362 11.442 -1.971 1.00 39.01 N ATOM 673 HA GLN A 40 10.163 7.970 1.485 1.00 0.00 H ATOM 674 HB2 GLN A 40 10.205 10.912 0.987 1.00 0.00 H ATOM 675 HB3 GLN A 40 11.794 10.128 1.144 1.00 0.00 H ATOM 676 HG2 GLN A 40 11.222 8.584 -0.643 1.00 0.00 H ATOM 677 HG3 GLN A 40 9.614 9.332 -0.787 1.00 0.00 H ATOM 678 HE22 GLN A 40 9.366 11.419 -1.671 1.00 0.00 H ATOM 679 HE21 GLN A 40 10.688 12.171 -2.637 1.00 0.00 H ATOM 680 H GLN A 40 8.572 10.073 2.879 1.00 0.00 H ATOM 681 N ASN A 41 11.956 8.068 3.255 1.00 16.08 N ATOM 682 CA ASN A 41 12.836 8.015 4.410 1.00 13.12 C ATOM 683 C ASN A 41 14.110 7.219 4.113 1.00 12.78 C ATOM 684 O ASN A 41 14.051 6.109 3.567 1.00 11.90 O ATOM 685 CB ASN A 41 12.111 7.406 5.609 1.00 11.85 C ATOM 686 CG ASN A 41 12.924 7.512 6.879 1.00 12.15 C ATOM 687 OD1 ASN A 41 13.060 8.598 7.459 1.00 10.76 O ATOM 688 ND2 ASN A 41 13.489 6.385 7.314 1.00 13.74 N ATOM 689 HA ASN A 41 13.124 9.039 4.647 1.00 0.00 H ATOM 690 HB2 ASN A 41 11.166 7.930 5.752 1.00 0.00 H ATOM 691 HB3 ASN A 41 11.915 6.354 5.404 1.00 0.00 H ATOM 692 HD22 ASN A 41 13.346 5.497 6.793 1.00 0.00 H ATOM 693 HD21 ASN A 41 14.073 6.395 8.175 1.00 0.00 H ATOM 694 H ASN A 41 12.066 7.367 2.494 1.00 0.00 H ATOM 695 N THR A 42 15.255 7.794 4.481 1.00 10.83 N ATOM 696 CA THR A 42 16.562 7.178 4.257 1.00 11.09 C ATOM 697 C THR A 42 17.182 6.613 5.530 1.00 9.43 C ATOM 698 O THR A 42 17.242 7.282 6.560 1.00 9.62 O ATOM 699 CB THR A 42 17.574 8.219 3.656 1.00 12.47 C ATOM 700 OG1 THR A 42 17.010 8.812 2.488 1.00 13.25 O ATOM 701 CG2 THR A 42 18.900 7.571 3.300 1.00 9.39 C ATOM 702 HA THR A 42 16.382 6.359 3.561 1.00 0.00 H ATOM 703 HB THR A 42 17.762 8.980 4.414 1.00 0.00 H ATOM 704 HG1 THR A 42 16.825 8.107 1.818 1.00 0.00 H ATOM 705 HG23 THR A 42 19.332 7.117 4.192 1.00 0.00 H ATOM 706 HG21 THR A 42 18.736 6.804 2.543 1.00 0.00 H ATOM 707 HG22 THR A 42 19.580 8.328 2.910 1.00 0.00 H ATOM 708 H THR A 42 15.217 8.722 4.948 1.00 0.00 H ATOM 709 N PHE A 43 17.650 5.375 5.452 1.00 8.90 N ATOM 710 CA PHE A 43 18.323 4.745 6.574 1.00 9.72 C ATOM 711 C PHE A 43 19.805 4.707 6.187 1.00 9.25 C ATOM 712 O PHE A 43 20.143 4.231 5.108 1.00 11.45 O ATOM 713 CB PHE A 43 17.823 3.301 6.790 1.00 10.21 C ATOM 714 CG PHE A 43 16.466 3.203 7.446 1.00 10.83 C ATOM 715 CD1 PHE A 43 16.334 3.291 8.833 1.00 11.19 C ATOM 716 CD2 PHE A 43 15.320 2.989 6.677 1.00 9.15 C ATOM 717 CE1 PHE A 43 15.070 3.167 9.442 1.00 10.08 C ATOM 718 CE2 PHE A 43 14.066 2.864 7.273 1.00 9.40 C ATOM 719 CZ PHE A 43 13.937 2.954 8.652 1.00 9.12 C ATOM 720 HA PHE A 43 18.136 5.294 7.497 1.00 0.00 H ATOM 721 HB2 PHE A 43 17.769 2.810 5.819 1.00 0.00 H ATOM 722 HB3 PHE A 43 18.545 2.780 7.419 1.00 0.00 H ATOM 723 HD2 PHE A 43 15.408 2.919 5.593 1.00 0.00 H ATOM 724 HE2 PHE A 43 13.185 2.695 6.654 1.00 0.00 H ATOM 725 HZ PHE A 43 12.956 2.859 9.117 1.00 0.00 H ATOM 726 HE1 PHE A 43 14.976 3.237 10.526 1.00 0.00 H ATOM 727 HD1 PHE A 43 17.217 3.457 9.450 1.00 0.00 H ATOM 728 H PHE A 43 17.532 4.843 4.566 1.00 0.00 H ATOM 729 N LEU A 44 20.681 5.221 7.050 1.00 10.63 N ATOM 730 CA LEU A 44 22.127 5.210 6.798 1.00 11.44 C ATOM 731 C LEU A 44 22.728 3.936 7.403 1.00 12.71 C ATOM 732 O LEU A 44 22.562 3.670 8.594 1.00 12.07 O ATOM 733 CB LEU A 44 22.805 6.412 7.451 1.00 10.09 C ATOM 734 CG LEU A 44 22.240 7.793 7.123 1.00 8.08 C ATOM 735 CD1 LEU A 44 23.015 8.862 7.918 1.00 12.38 C ATOM 736 CD2 LEU A 44 22.340 8.020 5.631 1.00 8.83 C ATOM 737 HA LEU A 44 22.288 5.249 5.721 1.00 0.00 H ATOM 738 HB2 LEU A 44 22.741 6.279 8.531 1.00 0.00 H ATOM 739 HB3 LEU A 44 23.852 6.404 7.147 1.00 0.00 H ATOM 740 HG LEU A 44 21.190 7.860 7.409 1.00 0.00 H ATOM 741 HD21 LEU A 44 23.385 7.966 5.326 1.00 0.00 H ATOM 742 HD22 LEU A 44 21.768 7.253 5.109 1.00 0.00 H ATOM 743 HD23 LEU A 44 21.939 9.004 5.387 1.00 0.00 H ATOM 744 HD11 LEU A 44 22.909 8.667 8.985 1.00 0.00 H ATOM 745 HD12 LEU A 44 24.069 8.824 7.644 1.00 0.00 H ATOM 746 HD13 LEU A 44 22.613 9.848 7.685 1.00 0.00 H ATOM 747 H LEU A 44 20.328 5.644 7.932 1.00 0.00 H ATOM 748 N LEU A 45 23.424 3.154 6.582 1.00 12.56 N ATOM 749 CA LEU A 45 24.035 1.929 7.065 1.00 12.78 C ATOM 750 C LEU A 45 25.364 2.288 7.722 1.00 12.69 C ATOM 751 O LEU A 45 26.445 2.022 7.195 1.00 12.68 O ATOM 752 CB LEU A 45 24.208 0.940 5.900 1.00 15.16 C ATOM 753 CG LEU A 45 22.869 0.648 5.191 1.00 15.36 C ATOM 754 CD1 LEU A 45 23.050 -0.463 4.182 1.00 16.44 C ATOM 755 CD2 LEU A 45 21.800 0.274 6.215 1.00 15.41 C ATOM 756 HA LEU A 45 23.403 1.439 7.806 1.00 0.00 H ATOM 757 HB2 LEU A 45 24.905 1.364 5.177 1.00 0.00 H ATOM 758 HB3 LEU A 45 24.613 0.005 6.288 1.00 0.00 H ATOM 759 HG LEU A 45 22.543 1.546 4.666 1.00 0.00 H ATOM 760 HD21 LEU A 45 22.117 -0.615 6.761 1.00 0.00 H ATOM 761 HD22 LEU A 45 21.662 1.100 6.913 1.00 0.00 H ATOM 762 HD23 LEU A 45 20.861 0.071 5.700 1.00 0.00 H ATOM 763 HD11 LEU A 45 23.791 -0.162 3.441 1.00 0.00 H ATOM 764 HD12 LEU A 45 23.390 -1.364 4.693 1.00 0.00 H ATOM 765 HD13 LEU A 45 22.099 -0.661 3.687 1.00 0.00 H ATOM 766 H LEU A 45 23.532 3.423 5.583 1.00 0.00 H ATOM 767 N THR A 46 25.252 2.917 8.885 1.00 11.94 N ATOM 768 CA THR A 46 26.401 3.356 9.652 1.00 13.46 C ATOM 769 C THR A 46 26.014 3.316 11.116 1.00 14.90 C ATOM 770 O THR A 46 24.856 3.040 11.452 1.00 15.16 O ATOM 771 CB THR A 46 26.834 4.807 9.261 1.00 14.79 C ATOM 772 OG1 THR A 46 28.100 5.102 9.865 1.00 14.58 O ATOM 773 CG2 THR A 46 25.790 5.849 9.706 1.00 9.37 C ATOM 774 HA THR A 46 27.247 2.700 9.447 1.00 0.00 H ATOM 775 HB THR A 46 26.915 4.859 8.175 1.00 0.00 H ATOM 776 HG1 THR A 46 28.376 6.020 9.619 1.00 0.00 H ATOM 777 HG23 THR A 46 24.830 5.620 9.244 1.00 0.00 H ATOM 778 HG21 THR A 46 25.689 5.820 10.791 1.00 0.00 H ATOM 779 HG22 THR A 46 26.115 6.842 9.397 1.00 0.00 H ATOM 780 H THR A 46 24.301 3.103 9.262 1.00 0.00 H ATOM 781 N THR A 47 26.986 3.581 11.983 1.00 13.58 N ATOM 782 CA THR A 47 26.750 3.568 13.419 1.00 13.77 C ATOM 783 C THR A 47 26.440 4.953 13.990 1.00 14.03 C ATOM 784 O THR A 47 26.816 5.990 13.423 1.00 13.42 O ATOM 785 CB THR A 47 27.970 2.995 14.181 1.00 12.15 C ATOM 786 OG1 THR A 47 29.055 3.934 14.127 1.00 10.64 O ATOM 787 CG2 THR A 47 28.417 1.674 13.563 1.00 13.07 C ATOM 788 HA THR A 47 25.876 2.932 13.561 1.00 0.00 H ATOM 789 HB THR A 47 27.681 2.820 15.217 1.00 0.00 H ATOM 790 HG1 THR A 47 28.774 4.786 14.547 1.00 0.00 H ATOM 791 HG23 THR A 47 27.595 0.959 13.603 1.00 0.00 H ATOM 792 HG21 THR A 47 28.707 1.839 12.525 1.00 0.00 H ATOM 793 HG22 THR A 47 29.268 1.283 14.121 1.00 0.00 H ATOM 794 H THR A 47 27.938 3.803 11.627 1.00 0.00 H ATOM 795 N PHE A 48 25.737 4.951 15.118 1.00 13.26 N ATOM 796 CA PHE A 48 25.394 6.183 15.805 1.00 12.98 C ATOM 797 C PHE A 48 26.688 6.929 16.134 1.00 13.51 C ATOM 798 O PHE A 48 26.792 8.152 15.945 1.00 12.55 O ATOM 799 CB PHE A 48 24.645 5.872 17.099 1.00 11.85 C ATOM 800 CG PHE A 48 24.115 7.086 17.769 1.00 12.79 C ATOM 801 CD1 PHE A 48 23.020 7.749 17.242 1.00 13.27 C ATOM 802 CD2 PHE A 48 24.743 7.604 18.899 1.00 13.95 C ATOM 803 CE1 PHE A 48 22.551 8.921 17.826 1.00 15.92 C ATOM 804 CE2 PHE A 48 24.288 8.766 19.488 1.00 12.00 C ATOM 805 CZ PHE A 48 23.191 9.430 18.953 1.00 14.60 C ATOM 806 HA PHE A 48 24.754 6.793 15.168 1.00 0.00 H ATOM 807 HB2 PHE A 48 23.810 5.211 16.867 1.00 0.00 H ATOM 808 HB3 PHE A 48 25.327 5.367 17.783 1.00 0.00 H ATOM 809 HD2 PHE A 48 25.603 7.086 19.323 1.00 0.00 H ATOM 810 HE2 PHE A 48 24.788 9.162 20.372 1.00 0.00 H ATOM 811 HZ PHE A 48 22.831 10.349 19.415 1.00 0.00 H ATOM 812 HE1 PHE A 48 21.689 9.437 17.404 1.00 0.00 H ATOM 813 HD1 PHE A 48 22.520 7.348 16.360 1.00 0.00 H ATOM 814 H PHE A 48 25.425 4.044 15.519 1.00 0.00 H ATOM 815 N ALA A 49 27.669 6.179 16.635 1.00 12.59 N ATOM 816 CA ALA A 49 28.979 6.735 16.975 1.00 12.66 C ATOM 817 C ALA A 49 29.632 7.393 15.736 1.00 13.04 C ATOM 818 O ALA A 49 30.266 8.441 15.846 1.00 12.57 O ATOM 819 CB ALA A 49 29.882 5.627 17.516 1.00 13.67 C ATOM 820 HA ALA A 49 28.847 7.500 17.740 1.00 0.00 H ATOM 821 HB1 ALA A 49 29.429 5.194 18.408 1.00 0.00 H ATOM 822 HB2 ALA A 49 30.002 4.854 16.756 1.00 0.00 H ATOM 823 HB3 ALA A 49 30.857 6.045 17.768 1.00 0.00 H ATOM 824 H ALA A 49 27.498 5.165 16.789 1.00 0.00 H ATOM 825 N ASN A 50 29.477 6.776 14.566 1.00 11.73 N ATOM 826 CA ASN A 50 30.038 7.316 13.330 1.00 11.41 C ATOM 827 C ASN A 50 29.398 8.662 12.983 1.00 10.71 C ATOM 828 O ASN A 50 30.089 9.601 12.593 1.00 9.83 O ATOM 829 CB ASN A 50 29.818 6.351 12.162 1.00 13.48 C ATOM 830 CG ASN A 50 30.848 5.231 12.113 1.00 14.63 C ATOM 831 OD1 ASN A 50 31.746 5.160 12.943 1.00 15.92 O ATOM 832 ND2 ASN A 50 30.709 4.346 11.135 1.00 12.69 N ATOM 833 HA ASN A 50 31.107 7.452 13.492 1.00 0.00 H ATOM 834 HB2 ASN A 50 28.827 5.908 12.259 1.00 0.00 H ATOM 835 HB3 ASN A 50 29.873 6.915 11.231 1.00 0.00 H ATOM 836 HD22 ASN A 50 29.931 4.444 10.451 1.00 0.00 H ATOM 837 HD21 ASN A 50 31.378 3.554 11.052 1.00 0.00 H ATOM 838 H ASN A 50 28.942 5.885 14.531 1.00 0.00 H ATOM 839 N VAL A 51 28.081 8.758 13.122 1.00 10.26 N ATOM 840 CA VAL A 51 27.382 10.007 12.808 1.00 10.51 C ATOM 841 C VAL A 51 27.743 11.111 13.806 1.00 9.66 C ATOM 842 O VAL A 51 27.955 12.261 13.430 1.00 10.89 O ATOM 843 CB VAL A 51 25.846 9.799 12.780 1.00 8.76 C ATOM 844 CG1 VAL A 51 25.138 11.133 12.512 1.00 8.54 C ATOM 845 CG2 VAL A 51 25.497 8.778 11.700 1.00 10.49 C ATOM 846 HA VAL A 51 27.708 10.318 11.815 1.00 0.00 H ATOM 847 HB VAL A 51 25.510 9.424 13.747 1.00 0.00 H ATOM 848 HG11 VAL A 51 25.389 11.841 13.302 1.00 0.00 H ATOM 849 HG12 VAL A 51 25.464 11.529 11.550 1.00 0.00 H ATOM 850 HG13 VAL A 51 24.060 10.974 12.495 1.00 0.00 H ATOM 851 HG21 VAL A 51 25.835 9.146 10.731 1.00 0.00 H ATOM 852 HG22 VAL A 51 25.991 7.832 11.923 1.00 0.00 H ATOM 853 HG23 VAL A 51 24.417 8.629 11.678 1.00 0.00 H ATOM 854 H VAL A 51 27.539 7.937 13.458 1.00 0.00 H ATOM 855 N VAL A 52 27.822 10.758 15.082 1.00 10.92 N ATOM 856 CA VAL A 52 28.196 11.736 16.102 1.00 10.89 C ATOM 857 C VAL A 52 29.564 12.334 15.737 1.00 10.78 C ATOM 858 O VAL A 52 29.771 13.540 15.835 1.00 10.37 O ATOM 859 CB VAL A 52 28.229 11.070 17.497 1.00 9.47 C ATOM 860 CG1 VAL A 52 28.976 11.941 18.488 1.00 9.69 C ATOM 861 CG2 VAL A 52 26.798 10.821 17.969 1.00 8.54 C ATOM 862 HA VAL A 52 27.457 12.537 16.139 1.00 0.00 H ATOM 863 HB VAL A 52 28.755 10.118 17.429 1.00 0.00 H ATOM 864 HG11 VAL A 52 29.999 12.087 18.142 1.00 0.00 H ATOM 865 HG12 VAL A 52 28.477 12.907 18.569 1.00 0.00 H ATOM 866 HG13 VAL A 52 28.987 11.453 19.463 1.00 0.00 H ATOM 867 HG21 VAL A 52 26.266 11.771 18.029 1.00 0.00 H ATOM 868 HG22 VAL A 52 26.292 10.164 17.261 1.00 0.00 H ATOM 869 HG23 VAL A 52 26.818 10.351 18.952 1.00 0.00 H ATOM 870 H VAL A 52 27.616 9.777 15.359 1.00 0.00 H ATOM 871 N ASN A 53 30.490 11.498 15.278 1.00 10.00 N ATOM 872 CA ASN A 53 31.800 12.000 14.895 1.00 11.57 C ATOM 873 C ASN A 53 31.753 12.909 13.666 1.00 10.76 C ATOM 874 O ASN A 53 32.545 13.847 13.551 1.00 11.70 O ATOM 875 CB ASN A 53 32.766 10.832 14.713 1.00 12.34 C ATOM 876 CG ASN A 53 33.353 10.376 16.055 1.00 14.65 C ATOM 877 OD1 ASN A 53 33.733 11.207 16.889 1.00 16.92 O ATOM 878 ND2 ASN A 53 33.410 9.074 16.272 1.00 16.72 N ATOM 879 HA ASN A 53 32.166 12.633 15.704 1.00 0.00 H ATOM 880 HB2 ASN A 53 32.232 9.998 14.257 1.00 0.00 H ATOM 881 HB3 ASN A 53 33.579 11.143 14.057 1.00 0.00 H ATOM 882 HD22 ASN A 53 33.079 8.410 15.543 1.00 0.00 H ATOM 883 HD21 ASN A 53 33.785 8.713 17.172 1.00 0.00 H ATOM 884 H ASN A 53 30.277 10.484 15.193 1.00 0.00 H ATOM 885 N VAL A 54 30.815 12.645 12.759 1.00 9.46 N ATOM 886 CA VAL A 54 30.654 13.490 11.581 1.00 9.18 C ATOM 887 C VAL A 54 30.165 14.853 12.094 1.00 10.00 C ATOM 888 O VAL A 54 30.412 15.889 11.479 1.00 11.41 O ATOM 889 CB VAL A 54 29.617 12.897 10.587 1.00 9.02 C ATOM 890 CG1 VAL A 54 29.126 13.986 9.611 1.00 7.01 C ATOM 891 CG2 VAL A 54 30.251 11.736 9.818 1.00 7.92 C ATOM 892 HA VAL A 54 31.597 13.569 11.040 1.00 0.00 H ATOM 893 HB VAL A 54 28.757 12.527 11.145 1.00 0.00 H ATOM 894 HG11 VAL A 54 28.658 14.793 10.175 1.00 0.00 H ATOM 895 HG12 VAL A 54 29.974 14.378 9.049 1.00 0.00 H ATOM 896 HG13 VAL A 54 28.400 13.554 8.922 1.00 0.00 H ATOM 897 HG21 VAL A 54 31.118 12.098 9.265 1.00 0.00 H ATOM 898 HG22 VAL A 54 30.563 10.964 10.521 1.00 0.00 H ATOM 899 HG23 VAL A 54 29.522 11.322 9.122 1.00 0.00 H ATOM 900 H VAL A 54 30.189 11.825 12.892 1.00 0.00 H ATOM 901 N CYS A 55 29.471 14.847 13.228 1.00 9.55 N ATOM 902 CA CYS A 55 29.007 16.092 13.826 1.00 9.53 C ATOM 903 C CYS A 55 30.241 16.916 14.203 1.00 9.41 C ATOM 904 O CYS A 55 30.147 18.127 14.435 1.00 9.42 O ATOM 905 CB CYS A 55 28.190 15.820 15.089 1.00 8.25 C ATOM 906 SG CYS A 55 26.515 15.153 14.809 1.00 13.13 S ATOM 907 HA CYS A 55 28.374 16.623 13.115 1.00 0.00 H ATOM 908 HB2 CYS A 55 28.092 16.758 15.635 1.00 0.00 H ATOM 909 HB3 CYS A 55 28.740 15.103 15.698 1.00 0.00 H ATOM 910 H CYS A 55 29.257 13.942 13.694 1.00 0.00 H ATOM 911 N GLY A 56 31.386 16.245 14.276 1.00 8.53 N ATOM 912 CA GLY A 56 32.635 16.906 14.620 1.00 10.16 C ATOM 913 C GLY A 56 33.335 17.505 13.412 1.00 10.50 C ATOM 914 O GLY A 56 34.356 18.189 13.545 1.00 10.20 O ATOM 915 HA3 GLY A 56 33.300 16.176 15.082 1.00 0.00 H ATOM 916 HA2 GLY A 56 32.423 17.704 15.331 1.00 0.00 H ATOM 917 H GLY A 56 31.389 15.223 14.083 1.00 0.00 H ATOM 918 N ASN A 57 32.786 17.261 12.224 1.00 10.72 N ATOM 919 CA ASN A 57 33.369 17.809 11.007 1.00 11.33 C ATOM 920 C ASN A 57 32.975 19.291 10.936 1.00 12.41 C ATOM 921 O ASN A 57 32.057 19.726 11.631 1.00 12.12 O ATOM 922 CB ASN A 57 32.872 17.035 9.781 1.00 12.27 C ATOM 923 CG ASN A 57 33.523 15.664 9.653 1.00 12.76 C ATOM 924 OD1 ASN A 57 34.449 15.342 10.386 1.00 13.02 O ATOM 925 ND2 ASN A 57 33.035 14.850 8.720 1.00 15.85 N ATOM 926 HA ASN A 57 34.455 17.716 11.019 1.00 0.00 H ATOM 927 HB2 ASN A 57 31.793 16.904 9.864 1.00 0.00 H ATOM 928 HB3 ASN A 57 33.098 17.615 8.886 1.00 0.00 H ATOM 929 HD22 ASN A 57 32.247 15.163 8.118 1.00 0.00 H ATOM 930 HD21 ASN A 57 33.442 13.901 8.593 1.00 0.00 H ATOM 931 H ASN A 57 31.931 16.672 12.164 1.00 0.00 H ATOM 932 N PRO A 58 33.645 20.078 10.077 1.00 13.09 N ATOM 933 CA PRO A 58 33.328 21.507 9.976 1.00 13.36 C ATOM 934 C PRO A 58 31.856 21.807 9.768 1.00 15.26 C ATOM 935 O PRO A 58 31.159 21.097 9.036 1.00 16.14 O ATOM 936 CB PRO A 58 34.180 21.984 8.798 1.00 11.67 C ATOM 937 CG PRO A 58 35.293 21.032 8.752 1.00 11.27 C ATOM 938 CD PRO A 58 34.686 19.698 9.111 1.00 11.68 C ATOM 939 HA PRO A 58 33.548 22.024 10.910 1.00 0.00 H ATOM 940 HD3 PRO A 58 34.255 19.212 8.236 1.00 0.00 H ATOM 941 HD2 PRO A 58 35.424 19.037 9.565 1.00 0.00 H ATOM 942 HG3 PRO A 58 36.063 21.308 9.472 1.00 0.00 H ATOM 943 HG2 PRO A 58 35.727 20.999 7.753 1.00 0.00 H ATOM 944 HB2 PRO A 58 33.608 21.956 7.870 1.00 0.00 H ATOM 945 HB3 PRO A 58 34.544 22.997 8.969 1.00 0.00 H ATOM 946 N ASN A 59 31.385 22.856 10.429 1.00 14.09 N ATOM 947 CA ASN A 59 30.007 23.276 10.281 1.00 14.95 C ATOM 948 C ASN A 59 29.834 23.782 8.861 1.00 15.67 C ATOM 949 O ASN A 59 30.748 24.380 8.287 1.00 17.61 O ATOM 950 CB ASN A 59 29.699 24.410 11.243 1.00 15.02 C ATOM 951 CG ASN A 59 29.517 23.933 12.642 1.00 14.44 C ATOM 952 OD1 ASN A 59 30.418 23.348 13.231 1.00 15.33 O ATOM 953 ND2 ASN A 59 28.346 24.178 13.193 1.00 16.67 N ATOM 954 HA ASN A 59 29.337 22.442 10.492 1.00 0.00 H ATOM 955 HB2 ASN A 59 30.523 25.123 11.220 1.00 0.00 H ATOM 956 HB3 ASN A 59 28.783 24.905 10.920 1.00 0.00 H ATOM 957 HD22 ASN A 59 27.612 24.678 12.653 1.00 0.00 H ATOM 958 HD21 ASN A 59 28.156 23.871 14.168 1.00 0.00 H ATOM 959 H ASN A 59 32.016 23.386 11.064 1.00 0.00 H ATOM 960 N MET A 60 28.668 23.532 8.287 1.00 15.16 N ATOM 961 CA MET A 60 28.375 23.996 6.946 1.00 14.04 C ATOM 962 C MET A 60 26.901 24.376 6.873 1.00 14.96 C ATOM 963 O MET A 60 26.109 24.023 7.747 1.00 14.00 O ATOM 964 CB MET A 60 28.702 22.910 5.916 1.00 16.25 C ATOM 965 CG MET A 60 27.635 21.835 5.732 1.00 16.26 C ATOM 966 SD MET A 60 28.059 20.724 4.385 1.00 23.60 S ATOM 967 CE MET A 60 27.280 21.454 3.025 1.00 22.87 C ATOM 968 HA MET A 60 28.990 24.866 6.717 1.00 0.00 H ATOM 969 HB2 MET A 60 28.858 23.396 4.953 1.00 0.00 H ATOM 970 HB3 MET A 60 29.624 22.419 6.227 1.00 0.00 H ATOM 971 HG2 MET A 60 26.681 22.314 5.511 1.00 0.00 H ATOM 972 HG3 MET A 60 27.547 21.260 6.654 1.00 0.00 H ATOM 973 HE1 MET A 60 26.206 21.504 3.207 1.00 0.00 H ATOM 974 HE2 MET A 60 27.673 22.460 2.880 1.00 0.00 H ATOM 975 HE3 MET A 60 27.471 20.856 2.134 1.00 0.00 H ATOM 976 H MET A 60 27.948 22.992 8.809 1.00 0.00 H ATOM 977 N THR A 61 26.541 25.117 5.837 1.00 14.25 N ATOM 978 CA THR A 61 25.160 25.523 5.637 1.00 14.87 C ATOM 979 C THR A 61 24.315 24.308 5.258 1.00 15.99 C ATOM 980 O THR A 61 24.725 23.486 4.434 1.00 17.20 O ATOM 981 CB THR A 61 25.060 26.554 4.518 1.00 14.35 C ATOM 982 OG1 THR A 61 25.839 27.704 4.874 1.00 15.68 O ATOM 983 CG2 THR A 61 23.603 26.956 4.293 1.00 15.92 C ATOM 984 HA THR A 61 24.795 25.961 6.566 1.00 0.00 H ATOM 985 HB THR A 61 25.442 26.123 3.593 1.00 0.00 H ATOM 986 HG1 THR A 61 25.779 28.378 4.152 1.00 0.00 H ATOM 987 HG23 THR A 61 23.022 26.074 4.023 1.00 0.00 H ATOM 988 HG21 THR A 61 23.202 27.391 5.208 1.00 0.00 H ATOM 989 HG22 THR A 61 23.550 27.688 3.487 1.00 0.00 H ATOM 990 H THR A 61 27.263 25.415 5.150 1.00 0.00 H ATOM 991 N CYS A 62 23.135 24.201 5.859 1.00 15.71 N ATOM 992 CA CYS A 62 22.232 23.085 5.575 1.00 17.21 C ATOM 993 C CYS A 62 21.551 23.236 4.219 1.00 18.37 C ATOM 994 O CYS A 62 20.755 24.158 4.024 1.00 18.81 O ATOM 995 CB CYS A 62 21.149 23.000 6.647 1.00 14.65 C ATOM 996 SG CYS A 62 21.763 22.579 8.296 1.00 13.14 S ATOM 997 HA CYS A 62 22.838 22.179 5.567 1.00 0.00 H ATOM 998 HB2 CYS A 62 20.430 22.239 6.346 1.00 0.00 H ATOM 999 HB3 CYS A 62 20.650 23.967 6.705 1.00 0.00 H ATOM 1000 H CYS A 62 22.847 24.926 6.546 1.00 0.00 H ATOM 1001 N PRO A 63 21.830 22.323 3.270 1.00 19.58 N ATOM 1002 CA PRO A 63 21.186 22.437 1.949 1.00 20.97 C ATOM 1003 C PRO A 63 19.674 22.706 2.033 1.00 22.84 C ATOM 1004 O PRO A 63 19.141 23.518 1.284 1.00 23.50 O ATOM 1005 CB PRO A 63 21.504 21.104 1.271 1.00 19.78 C ATOM 1006 CG PRO A 63 22.752 20.633 1.938 1.00 20.23 C ATOM 1007 CD PRO A 63 22.738 21.162 3.356 1.00 17.57 C ATOM 1008 HA PRO A 63 21.560 23.293 1.388 1.00 0.00 H ATOM 1009 HD3 PRO A 63 22.353 20.414 4.049 1.00 0.00 H ATOM 1010 HD2 PRO A 63 23.736 21.468 3.670 1.00 0.00 H ATOM 1011 HG3 PRO A 63 23.624 21.014 1.407 1.00 0.00 H ATOM 1012 HG2 PRO A 63 22.781 19.543 1.947 1.00 0.00 H ATOM 1013 HB2 PRO A 63 20.693 20.391 1.423 1.00 0.00 H ATOM 1014 HB3 PRO A 63 21.667 21.244 0.203 1.00 0.00 H ATOM 1015 N SER A 64 18.987 22.037 2.952 1.00 24.74 N ATOM 1016 CA SER A 64 17.547 22.226 3.122 1.00 27.88 C ATOM 1017 C SER A 64 17.178 23.606 3.679 1.00 28.85 C ATOM 1018 O SER A 64 16.124 24.148 3.353 1.00 30.03 O ATOM 1019 CB SER A 64 16.987 21.161 4.056 1.00 29.04 C ATOM 1020 OG SER A 64 16.716 21.724 5.331 1.00 31.98 O ATOM 1021 HA SER A 64 17.111 22.143 2.126 1.00 0.00 H ATOM 1022 HB2 SER A 64 17.715 20.357 4.164 1.00 0.00 H ATOM 1023 HB3 SER A 64 16.065 20.761 3.635 1.00 0.00 H ATOM 1024 HG SER A 64 17.553 22.086 5.715 1.00 0.00 H ATOM 1025 H SER A 64 19.486 21.362 3.566 1.00 0.00 H ATOM 1026 N ASN A 65 18.033 24.160 4.536 1.00 30.06 N ATOM 1027 CA ASN A 65 17.790 25.478 5.126 1.00 28.87 C ATOM 1028 C ASN A 65 19.038 26.367 5.121 1.00 27.96 C ATOM 1029 O ASN A 65 19.968 26.188 5.911 1.00 27.41 O ATOM 1030 CB ASN A 65 17.276 25.347 6.559 1.00 28.94 C ATOM 1031 CG ASN A 65 16.480 26.574 7.012 1.00 28.84 C ATOM 1032 OD1 ASN A 65 16.832 27.723 6.705 1.00 26.14 O ATOM 1033 ND2 ASN A 65 15.405 26.330 7.753 1.00 28.51 N ATOM 1034 HA ASN A 65 17.034 25.954 4.502 1.00 0.00 H ATOM 1035 HB2 ASN A 65 16.632 24.470 6.621 1.00 0.00 H ATOM 1036 HB3 ASN A 65 18.128 25.218 7.226 1.00 0.00 H ATOM 1037 HD22 ASN A 65 15.146 25.350 7.987 1.00 0.00 H ATOM 1038 HD21 ASN A 65 14.822 27.119 8.099 1.00 0.00 H ATOM 1039 H ASN A 65 18.897 23.642 4.794 1.00 0.00 H ATOM 1040 N LYS A 66 19.018 27.341 4.222 1.00 27.62 N ATOM 1041 CA LYS A 66 20.100 28.292 4.056 1.00 26.18 C ATOM 1042 C LYS A 66 20.336 29.133 5.309 1.00 23.00 C ATOM 1043 O LYS A 66 21.388 29.741 5.457 1.00 23.54 O ATOM 1044 CB LYS A 66 19.791 29.190 2.856 1.00 27.33 C ATOM 1045 CG LYS A 66 19.291 28.415 1.639 1.00 30.51 C ATOM 1046 CD LYS A 66 19.807 26.956 1.624 1.00 31.53 C ATOM 1047 CE LYS A 66 20.726 26.683 0.438 1.00 32.76 C ATOM 1048 NZ LYS A 66 22.159 26.933 0.784 1.00 32.75 N ATOM 1049 HA LYS A 66 21.020 27.734 3.881 1.00 0.00 H ATOM 1050 HB2 LYS A 66 19.025 29.908 3.148 1.00 0.00 H ATOM 1051 HB3 LYS A 66 20.700 29.723 2.578 1.00 0.00 H ATOM 1052 HG2 LYS A 66 18.201 28.402 1.654 1.00 0.00 H ATOM 1053 HG3 LYS A 66 19.635 28.919 0.736 1.00 0.00 H ATOM 1054 HD2 LYS A 66 20.358 26.768 2.546 1.00 0.00 H ATOM 1055 HD3 LYS A 66 18.953 26.282 1.569 1.00 0.00 H ATOM 1056 HE2 LYS A 66 20.442 27.335 -0.388 1.00 0.00 H ATOM 1057 HE3 LYS A 66 20.611 25.643 0.133 1.00 0.00 H ATOM 1058 HZ1 LYS A 66 22.277 27.926 1.070 1.00 0.00 H ATOM 1059 HZ2 LYS A 66 22.439 26.309 1.568 1.00 0.00 H ATOM 1060 HZ3 LYS A 66 22.754 26.737 -0.046 1.00 0.00 H ATOM 1061 H LYS A 66 18.185 27.427 3.605 1.00 0.00 H ATOM 1062 N THR A 67 19.368 29.168 6.215 1.00 19.65 N ATOM 1063 CA THR A 67 19.547 29.951 7.425 1.00 17.00 C ATOM 1064 C THR A 67 20.239 29.159 8.525 1.00 14.18 C ATOM 1065 O THR A 67 20.577 29.713 9.555 1.00 12.32 O ATOM 1066 CB THR A 67 18.214 30.444 7.983 1.00 17.19 C ATOM 1067 OG1 THR A 67 17.497 29.340 8.547 1.00 17.60 O ATOM 1068 CG2 THR A 67 17.394 31.100 6.892 1.00 17.38 C ATOM 1069 HA THR A 67 20.169 30.797 7.132 1.00 0.00 H ATOM 1070 HB THR A 67 18.404 31.185 8.759 1.00 0.00 H ATOM 1071 HG1 THR A 67 17.332 28.662 7.845 1.00 0.00 H ATOM 1072 HG23 THR A 67 17.952 31.937 6.473 1.00 0.00 H ATOM 1073 HG21 THR A 67 17.186 30.372 6.108 1.00 0.00 H ATOM 1074 HG22 THR A 67 16.455 31.461 7.312 1.00 0.00 H ATOM 1075 H THR A 67 18.487 28.638 6.060 1.00 0.00 H ATOM 1076 N ARG A 68 20.451 27.866 8.291 1.00 15.36 N ATOM 1077 CA ARG A 68 21.083 26.991 9.274 1.00 15.97 C ATOM 1078 C ARG A 68 22.551 26.659 9.032 1.00 13.46 C ATOM 1079 O ARG A 68 22.945 26.269 7.939 1.00 13.53 O ATOM 1080 CB ARG A 68 20.293 25.703 9.362 1.00 17.00 C ATOM 1081 CG ARG A 68 18.862 25.947 9.710 1.00 23.84 C ATOM 1082 CD ARG A 68 18.754 26.477 11.121 1.00 26.83 C ATOM 1083 NE ARG A 68 18.167 25.493 12.028 1.00 34.10 N ATOM 1084 CZ ARG A 68 16.932 25.006 11.916 1.00 36.76 C ATOM 1085 NH1 ARG A 68 16.136 25.409 10.927 1.00 38.97 N ATOM 1086 NH2 ARG A 68 16.487 24.131 12.809 1.00 36.99 N ATOM 1087 HA ARG A 68 21.073 27.556 10.206 1.00 0.00 H ATOM 1088 HB2 ARG A 68 20.339 25.195 8.399 1.00 0.00 H ATOM 1089 HB3 ARG A 68 20.738 25.068 10.128 1.00 0.00 H ATOM 1090 HG2 ARG A 68 18.441 26.676 9.017 1.00 0.00 H ATOM 1091 HG3 ARG A 68 18.307 25.012 9.632 1.00 0.00 H ATOM 1092 HD2 ARG A 68 18.128 27.370 11.116 1.00 0.00 H ATOM 1093 HD3 ARG A 68 19.751 26.736 11.478 1.00 0.00 H ATOM 1094 HE ARG A 68 18.754 25.149 12.815 1.00 0.00 H ATOM 1095 HH12 ARG A 68 15.173 25.025 10.845 1.00 0.00 H ATOM 1096 HH11 ARG A 68 16.477 26.108 10.237 1.00 0.00 H ATOM 1097 HH22 ARG A 68 15.524 23.748 12.726 1.00 0.00 H ATOM 1098 HH21 ARG A 68 17.102 23.829 13.592 1.00 0.00 H ATOM 1099 H ARG A 68 20.157 27.466 7.377 1.00 0.00 H ATOM 1100 N LYS A 69 23.350 26.797 10.080 1.00 13.32 N ATOM 1101 CA LYS A 69 24.774 26.512 9.985 1.00 13.27 C ATOM 1102 C LYS A 69 25.172 25.334 10.872 1.00 13.58 C ATOM 1103 O LYS A 69 26.353 25.145 11.166 1.00 13.29 O ATOM 1104 CB LYS A 69 25.585 27.750 10.383 1.00 14.03 C ATOM 1105 CG LYS A 69 27.076 27.642 10.119 1.00 14.41 C ATOM 1106 CD LYS A 69 27.333 27.335 8.661 1.00 15.77 C ATOM 1107 CE LYS A 69 28.791 27.569 8.309 1.00 19.76 C ATOM 1108 NZ LYS A 69 29.222 28.992 8.500 1.00 16.34 N ATOM 1109 HA LYS A 69 24.990 26.246 8.950 1.00 0.00 H ATOM 1110 HB2 LYS A 69 25.201 28.602 9.823 1.00 0.00 H ATOM 1111 HB3 LYS A 69 25.440 27.923 11.449 1.00 0.00 H ATOM 1112 HG2 LYS A 69 27.556 28.586 10.377 1.00 0.00 H ATOM 1113 HG3 LYS A 69 27.493 26.844 10.733 1.00 0.00 H ATOM 1114 HD2 LYS A 69 27.081 26.293 8.465 1.00 0.00 H ATOM 1115 HD3 LYS A 69 26.708 27.981 8.044 1.00 0.00 H ATOM 1116 HE2 LYS A 69 28.944 27.297 7.264 1.00 0.00 H ATOM 1117 HE3 LYS A 69 29.408 26.932 8.943 1.00 0.00 H ATOM 1118 HZ1 LYS A 69 28.648 29.611 7.893 1.00 0.00 H ATOM 1119 HZ2 LYS A 69 29.091 29.262 9.496 1.00 0.00 H ATOM 1120 HZ3 LYS A 69 30.225 29.086 8.243 1.00 0.00 H ATOM 1121 H LYS A 69 22.952 27.115 10.987 1.00 0.00 H ATOM 1122 N ASN A 70 24.197 24.533 11.299 1.00 13.80 N ATOM 1123 CA ASN A 70 24.518 23.399 12.165 1.00 12.93 C ATOM 1124 C ASN A 70 24.643 22.072 11.434 1.00 12.54 C ATOM 1125 O ASN A 70 24.570 21.012 12.054 1.00 13.58 O ATOM 1126 CB ASN A 70 23.490 23.273 13.305 1.00 11.88 C ATOM 1127 CG ASN A 70 22.083 23.004 12.805 1.00 13.17 C ATOM 1128 OD1 ASN A 70 21.745 23.308 11.655 1.00 12.89 O ATOM 1129 ND2 ASN A 70 21.246 22.430 13.674 1.00 11.60 N ATOM 1130 HA ASN A 70 25.505 23.619 12.573 1.00 0.00 H ATOM 1131 HB2 ASN A 70 23.791 22.452 13.956 1.00 0.00 H ATOM 1132 HB3 ASN A 70 23.485 24.203 13.874 1.00 0.00 H ATOM 1133 HD22 ASN A 70 21.574 22.191 14.632 1.00 0.00 H ATOM 1134 HD21 ASN A 70 20.267 22.222 13.393 1.00 0.00 H ATOM 1135 H ASN A 70 23.212 24.713 11.018 1.00 0.00 H ATOM 1136 N CYS A 71 24.851 22.123 10.122 1.00 11.96 N ATOM 1137 CA CYS A 71 24.998 20.901 9.350 1.00 12.09 C ATOM 1138 C CYS A 71 26.447 20.448 9.198 1.00 12.20 C ATOM 1139 O CYS A 71 27.389 21.237 9.332 1.00 11.59 O ATOM 1140 CB CYS A 71 24.354 21.063 7.976 1.00 11.69 C ATOM 1141 SG CYS A 71 22.572 20.740 8.032 1.00 12.64 S ATOM 1142 HA CYS A 71 24.486 20.120 9.913 1.00 0.00 H ATOM 1143 HB2 CYS A 71 24.819 20.363 7.282 1.00 0.00 H ATOM 1144 HB3 CYS A 71 24.518 22.082 7.626 1.00 0.00 H ATOM 1145 H CYS A 71 24.909 23.045 9.644 1.00 0.00 H ATOM 1146 N HIS A 72 26.619 19.164 8.917 1.00 12.61 N ATOM 1147 CA HIS A 72 27.952 18.591 8.756 1.00 12.96 C ATOM 1148 C HIS A 72 27.963 17.516 7.673 1.00 13.11 C ATOM 1149 O HIS A 72 27.072 16.669 7.598 1.00 13.21 O ATOM 1150 CB HIS A 72 28.425 18.011 10.093 1.00 11.86 C ATOM 1151 CG HIS A 72 28.227 18.944 11.241 1.00 12.47 C ATOM 1152 ND1 HIS A 72 29.242 19.731 11.741 1.00 12.29 N ATOM 1153 CD2 HIS A 72 27.107 19.303 11.916 1.00 13.61 C ATOM 1154 CE1 HIS A 72 28.756 20.535 12.669 1.00 13.49 C ATOM 1155 NE2 HIS A 72 27.463 20.295 12.795 1.00 14.79 N ATOM 1156 HA HIS A 72 28.635 19.381 8.444 1.00 0.00 H ATOM 1157 HB2 HIS A 72 27.868 17.095 10.290 1.00 0.00 H ATOM 1158 HB3 HIS A 72 29.487 17.779 10.014 1.00 0.00 H ATOM 1159 HD2 HIS A 72 26.110 18.882 11.785 1.00 0.00 H ATOM 1160 HE1 HIS A 72 29.325 21.272 13.235 1.00 0.00 H ATOM 1161 H HIS A 72 25.786 18.551 8.809 1.00 0.00 H ATOM 1162 N HIS A 73 28.991 17.572 6.839 1.00 13.63 N ATOM 1163 CA HIS A 73 29.167 16.649 5.725 1.00 15.01 C ATOM 1164 C HIS A 73 29.980 15.434 6.184 1.00 13.74 C ATOM 1165 O HIS A 73 31.004 15.575 6.854 1.00 13.25 O ATOM 1166 CB HIS A 73 29.878 17.390 4.583 1.00 14.66 C ATOM 1167 CG HIS A 73 29.647 16.800 3.226 1.00 15.38 C ATOM 1168 ND1 HIS A 73 30.391 15.748 2.738 1.00 17.23 N ATOM 1169 CD2 HIS A 73 28.806 17.160 2.230 1.00 16.82 C ATOM 1170 CE1 HIS A 73 30.021 15.487 1.498 1.00 16.94 C ATOM 1171 NE2 HIS A 73 29.060 16.330 1.165 1.00 17.78 N ATOM 1172 HA HIS A 73 28.200 16.291 5.370 1.00 0.00 H ATOM 1173 HB2 HIS A 73 29.524 18.421 4.572 1.00 0.00 H ATOM 1174 HB3 HIS A 73 30.949 17.378 4.783 1.00 0.00 H ATOM 1175 HD2 HIS A 73 28.065 17.959 2.266 1.00 0.00 H ATOM 1176 HE1 HIS A 73 30.437 14.709 0.858 1.00 0.00 H ATOM 1177 H HIS A 73 29.708 18.311 6.987 1.00 0.00 H ATOM 1178 N SER A 74 29.516 14.248 5.809 1.00 13.86 N ATOM 1179 CA SER A 74 30.161 12.997 6.183 1.00 16.39 C ATOM 1180 C SER A 74 31.612 12.798 5.716 1.00 20.00 C ATOM 1181 O SER A 74 32.362 12.047 6.343 1.00 21.78 O ATOM 1182 CB SER A 74 29.310 11.813 5.708 1.00 14.80 C ATOM 1183 OG SER A 74 29.294 11.686 4.293 1.00 14.67 O ATOM 1184 HA SER A 74 30.228 13.050 7.270 1.00 0.00 H ATOM 1185 HB2 SER A 74 28.287 11.955 6.058 1.00 0.00 H ATOM 1186 HB3 SER A 74 29.716 10.897 6.137 1.00 0.00 H ATOM 1187 HG SER A 74 30.218 11.549 3.965 1.00 0.00 H ATOM 1188 H SER A 74 28.657 14.211 5.224 1.00 0.00 H ATOM 1189 N GLY A 75 32.013 13.442 4.624 1.00 20.44 N ATOM 1190 CA GLY A 75 33.386 13.264 4.167 1.00 23.87 C ATOM 1191 C GLY A 75 33.648 11.951 3.435 1.00 24.83 C ATOM 1192 O GLY A 75 34.514 11.894 2.568 1.00 25.47 O ATOM 1193 HA3 GLY A 75 34.042 13.305 5.037 1.00 0.00 H ATOM 1194 HA2 GLY A 75 33.629 14.084 3.491 1.00 0.00 H ATOM 1195 H GLY A 75 31.359 14.062 4.105 1.00 0.00 H ATOM 1196 N SER A 76 32.913 10.896 3.792 1.00 24.18 N ATOM 1197 CA SER A 76 33.038 9.577 3.154 1.00 22.75 C ATOM 1198 C SER A 76 31.636 9.097 2.769 1.00 22.66 C ATOM 1199 O SER A 76 30.654 9.442 3.435 1.00 21.23 O ATOM 1200 CB SER A 76 33.643 8.558 4.118 1.00 21.81 C ATOM 1201 OG SER A 76 35.042 8.472 3.980 1.00 21.61 O ATOM 1202 HA SER A 76 33.686 9.667 2.282 1.00 0.00 H ATOM 1203 HB2 SER A 76 33.208 7.579 3.916 1.00 0.00 H ATOM 1204 HB3 SER A 76 33.407 8.855 5.140 1.00 0.00 H ATOM 1205 HG SER A 76 35.446 9.356 4.168 1.00 0.00 H ATOM 1206 H SER A 76 32.219 11.012 4.558 1.00 0.00 H ATOM 1207 N GLN A 77 31.542 8.308 1.700 1.00 22.18 N ATOM 1208 CA GLN A 77 30.252 7.783 1.265 1.00 21.89 C ATOM 1209 C GLN A 77 29.899 6.588 2.125 1.00 20.02 C ATOM 1210 O GLN A 77 30.784 5.852 2.568 1.00 20.22 O ATOM 1211 CB GLN A 77 30.307 7.350 -0.199 1.00 23.31 C ATOM 1212 CG GLN A 77 29.988 8.457 -1.176 1.00 26.71 C ATOM 1213 CD GLN A 77 30.065 7.988 -2.610 1.00 28.95 C ATOM 1214 OE1 GLN A 77 30.982 7.256 -2.991 1.00 30.18 O ATOM 1215 NE2 GLN A 77 29.096 8.400 -3.418 1.00 30.10 N ATOM 1216 HA GLN A 77 29.499 8.565 1.366 1.00 0.00 H ATOM 1217 HB2 GLN A 77 31.311 6.983 -0.411 1.00 0.00 H ATOM 1218 HB3 GLN A 77 29.588 6.544 -0.346 1.00 0.00 H ATOM 1219 HG2 GLN A 77 28.980 8.821 -0.978 1.00 0.00 H ATOM 1220 HG3 GLN A 77 30.701 9.269 -1.033 1.00 0.00 H ATOM 1221 HE22 GLN A 77 28.342 9.017 -3.054 1.00 0.00 H ATOM 1222 HE21 GLN A 77 29.090 8.106 -4.416 1.00 0.00 H ATOM 1223 H GLN A 77 32.401 8.062 1.167 1.00 0.00 H ATOM 1224 N VAL A 78 28.610 6.402 2.383 1.00 18.18 N ATOM 1225 CA VAL A 78 28.179 5.261 3.166 1.00 16.32 C ATOM 1226 C VAL A 78 27.062 4.530 2.432 1.00 17.40 C ATOM 1227 O VAL A 78 26.363 5.113 1.587 1.00 17.61 O ATOM 1228 CB VAL A 78 27.643 5.656 4.594 1.00 14.15 C ATOM 1229 CG1 VAL A 78 28.745 6.273 5.433 1.00 12.34 C ATOM 1230 CG2 VAL A 78 26.454 6.599 4.472 1.00 14.86 C ATOM 1231 HA VAL A 78 29.058 4.629 3.297 1.00 0.00 H ATOM 1232 HB VAL A 78 27.309 4.750 5.100 1.00 0.00 H ATOM 1233 HG11 VAL A 78 29.557 5.555 5.549 1.00 0.00 H ATOM 1234 HG12 VAL A 78 29.119 7.169 4.938 1.00 0.00 H ATOM 1235 HG13 VAL A 78 28.349 6.537 6.414 1.00 0.00 H ATOM 1236 HG21 VAL A 78 26.761 7.502 3.945 1.00 0.00 H ATOM 1237 HG22 VAL A 78 25.656 6.106 3.916 1.00 0.00 H ATOM 1238 HG23 VAL A 78 26.096 6.862 5.468 1.00 0.00 H ATOM 1239 H VAL A 78 27.907 7.078 2.022 1.00 0.00 H ATOM 1240 N PRO A 79 26.921 3.219 2.693 1.00 17.37 N ATOM 1241 CA PRO A 79 25.844 2.485 2.032 1.00 14.64 C ATOM 1242 C PRO A 79 24.606 2.982 2.745 1.00 14.89 C ATOM 1243 O PRO A 79 24.667 3.326 3.921 1.00 14.58 O ATOM 1244 CB PRO A 79 26.116 1.028 2.382 1.00 16.03 C ATOM 1245 CG PRO A 79 27.500 1.015 2.988 1.00 17.66 C ATOM 1246 CD PRO A 79 27.733 2.353 3.561 1.00 15.05 C ATOM 1247 HA PRO A 79 25.753 2.603 0.952 1.00 0.00 H ATOM 1248 HD3 PRO A 79 27.394 2.403 4.596 1.00 0.00 H ATOM 1249 HD2 PRO A 79 28.788 2.624 3.512 1.00 0.00 H ATOM 1250 HG3 PRO A 79 28.243 0.802 2.220 1.00 0.00 H ATOM 1251 HG2 PRO A 79 27.560 0.257 3.769 1.00 0.00 H ATOM 1252 HB2 PRO A 79 25.381 0.664 3.100 1.00 0.00 H ATOM 1253 HB3 PRO A 79 26.085 0.408 1.486 1.00 0.00 H ATOM 1254 N LEU A 80 23.489 3.056 2.041 1.00 14.52 N ATOM 1255 CA LEU A 80 22.250 3.491 2.664 1.00 12.40 C ATOM 1256 C LEU A 80 21.068 2.856 1.943 1.00 11.82 C ATOM 1257 O LEU A 80 21.211 2.299 0.850 1.00 13.25 O ATOM 1258 CB LEU A 80 22.140 5.022 2.619 1.00 11.71 C ATOM 1259 CG LEU A 80 22.272 5.719 1.261 1.00 12.26 C ATOM 1260 CD1 LEU A 80 20.971 5.582 0.487 1.00 12.77 C ATOM 1261 CD2 LEU A 80 22.616 7.181 1.465 1.00 10.72 C ATOM 1262 HA LEU A 80 22.245 3.176 3.708 1.00 0.00 H ATOM 1263 HB2 LEU A 80 21.164 5.288 3.025 1.00 0.00 H ATOM 1264 HB3 LEU A 80 22.922 5.421 3.265 1.00 0.00 H ATOM 1265 HG LEU A 80 23.072 5.250 0.688 1.00 0.00 H ATOM 1266 HD21 LEU A 80 21.826 7.662 2.042 1.00 0.00 H ATOM 1267 HD22 LEU A 80 23.560 7.259 2.004 1.00 0.00 H ATOM 1268 HD23 LEU A 80 22.708 7.670 0.495 1.00 0.00 H ATOM 1269 HD11 LEU A 80 20.751 4.526 0.332 1.00 0.00 H ATOM 1270 HD12 LEU A 80 20.162 6.043 1.054 1.00 0.00 H ATOM 1271 HD13 LEU A 80 21.070 6.079 -0.478 1.00 0.00 H ATOM 1272 H LEU A 80 23.497 2.801 1.033 1.00 0.00 H ATOM 1273 N ILE A 81 19.907 2.903 2.574 1.00 11.98 N ATOM 1274 CA ILE A 81 18.704 2.388 1.947 1.00 12.13 C ATOM 1275 C ILE A 81 17.660 3.500 1.956 1.00 12.44 C ATOM 1276 O ILE A 81 17.374 4.093 3.001 1.00 11.52 O ATOM 1277 CB ILE A 81 18.134 1.159 2.680 1.00 10.86 C ATOM 1278 CG1 ILE A 81 19.048 -0.046 2.451 1.00 12.13 C ATOM 1279 CG2 ILE A 81 16.733 0.843 2.149 1.00 9.25 C ATOM 1280 CD1 ILE A 81 19.001 -1.053 3.567 1.00 14.39 C ATOM 1281 HA ILE A 81 18.954 2.071 0.934 1.00 0.00 H ATOM 1282 HB ILE A 81 18.076 1.374 3.747 1.00 0.00 H ATOM 1283 HG12 ILE A 81 18.745 -0.539 1.527 1.00 0.00 H ATOM 1284 HG13 ILE A 81 20.073 0.312 2.351 1.00 0.00 H ATOM 1285 HD11 ILE A 81 19.312 -0.578 4.497 1.00 0.00 H ATOM 1286 HD12 ILE A 81 17.983 -1.429 3.673 1.00 0.00 H ATOM 1287 HD13 ILE A 81 19.673 -1.880 3.337 1.00 0.00 H ATOM 1288 HG21 ILE A 81 16.080 1.699 2.318 1.00 0.00 H ATOM 1289 HG22 ILE A 81 16.790 0.633 1.081 1.00 0.00 H ATOM 1290 HG23 ILE A 81 16.336 -0.027 2.671 1.00 0.00 H ATOM 1291 H ILE A 81 19.856 3.313 3.528 1.00 0.00 H ATOM 1292 N HIS A 82 17.134 3.826 0.780 1.00 11.16 N ATOM 1293 CA HIS A 82 16.088 4.822 0.710 1.00 13.43 C ATOM 1294 C HIS A 82 14.736 4.098 0.562 1.00 12.30 C ATOM 1295 O HIS A 82 14.555 3.278 -0.335 1.00 12.38 O ATOM 1296 CB HIS A 82 16.319 5.782 -0.461 1.00 18.20 C ATOM 1297 CG HIS A 82 15.464 7.010 -0.393 1.00 22.45 C ATOM 1298 ND1 HIS A 82 15.563 7.926 0.633 1.00 25.10 N ATOM 1299 CD2 HIS A 82 14.450 7.439 -1.183 1.00 24.40 C ATOM 1300 CE1 HIS A 82 14.647 8.865 0.474 1.00 24.96 C ATOM 1301 NE2 HIS A 82 13.958 8.594 -0.621 1.00 25.32 N ATOM 1302 HA HIS A 82 16.092 5.419 1.622 1.00 0.00 H ATOM 1303 HB2 HIS A 82 17.365 6.087 -0.458 1.00 0.00 H ATOM 1304 HB3 HIS A 82 16.098 5.256 -1.390 1.00 0.00 H ATOM 1305 HD2 HIS A 82 14.091 6.959 -2.093 1.00 0.00 H ATOM 1306 HE1 HIS A 82 14.487 9.718 1.134 1.00 0.00 H ATOM 1307 H HIS A 82 17.474 3.366 -0.088 1.00 0.00 H ATOM 1308 N CYS A 83 13.811 4.385 1.470 1.00 12.36 N ATOM 1309 CA CYS A 83 12.484 3.779 1.458 1.00 13.53 C ATOM 1310 C CYS A 83 11.499 4.752 0.830 1.00 13.94 C ATOM 1311 O CYS A 83 11.461 5.927 1.196 1.00 14.24 O ATOM 1312 CB CYS A 83 12.022 3.445 2.882 1.00 12.46 C ATOM 1313 SG CYS A 83 13.091 2.281 3.788 1.00 12.63 S ATOM 1314 HA CYS A 83 12.528 2.855 0.881 1.00 0.00 H ATOM 1315 HB2 CYS A 83 11.025 3.010 2.820 1.00 0.00 H ATOM 1316 HB3 CYS A 83 11.977 4.375 3.450 1.00 0.00 H ATOM 1317 H CYS A 83 14.041 5.069 2.219 1.00 0.00 H ATOM 1318 N ASN A 84 10.710 4.256 -0.116 1.00 14.48 N ATOM 1319 CA ASN A 84 9.722 5.073 -0.813 1.00 15.95 C ATOM 1320 C ASN A 84 8.340 4.421 -0.720 1.00 16.39 C ATOM 1321 O ASN A 84 8.186 3.233 -1.014 1.00 15.49 O ATOM 1322 CB ASN A 84 10.122 5.229 -2.279 1.00 17.27 C ATOM 1323 CG ASN A 84 11.312 6.151 -2.462 1.00 20.24 C ATOM 1324 OD1 ASN A 84 11.166 7.381 -2.489 1.00 22.98 O ATOM 1325 ND2 ASN A 84 12.502 5.567 -2.591 1.00 19.88 N ATOM 1326 HA ASN A 84 9.682 6.056 -0.344 1.00 0.00 H ATOM 1327 HB2 ASN A 84 10.376 4.247 -2.679 1.00 0.00 H ATOM 1328 HB3 ASN A 84 9.275 5.637 -2.831 1.00 0.00 H ATOM 1329 HD22 ASN A 84 12.578 4.530 -2.562 1.00 0.00 H ATOM 1330 HD21 ASN A 84 13.355 6.148 -2.720 1.00 0.00 H ATOM 1331 H ASN A 84 10.799 3.251 -0.369 1.00 0.00 H ATOM 1332 N LEU A 85 7.343 5.200 -0.305 1.00 17.23 N ATOM 1333 CA LEU A 85 5.971 4.713 -0.155 1.00 17.35 C ATOM 1334 C LEU A 85 5.376 4.223 -1.494 1.00 17.82 C ATOM 1335 O LEU A 85 5.313 4.971 -2.463 1.00 18.21 O ATOM 1336 CB LEU A 85 5.099 5.834 0.435 1.00 16.17 C ATOM 1337 CG LEU A 85 3.648 5.507 0.790 1.00 15.34 C ATOM 1338 CD1 LEU A 85 3.562 4.253 1.618 1.00 14.74 C ATOM 1339 CD2 LEU A 85 3.062 6.687 1.545 1.00 16.71 C ATOM 1340 HA LEU A 85 5.988 3.856 0.519 1.00 0.00 H ATOM 1341 HB2 LEU A 85 5.586 6.177 1.348 1.00 0.00 H ATOM 1342 HB3 LEU A 85 5.079 6.646 -0.292 1.00 0.00 H ATOM 1343 HG LEU A 85 3.081 5.330 -0.124 1.00 0.00 H ATOM 1344 HD21 LEU A 85 3.639 6.858 2.453 1.00 0.00 H ATOM 1345 HD22 LEU A 85 3.101 7.576 0.915 1.00 0.00 H ATOM 1346 HD23 LEU A 85 2.026 6.471 1.807 1.00 0.00 H ATOM 1347 HD11 LEU A 85 3.981 3.418 1.056 1.00 0.00 H ATOM 1348 HD12 LEU A 85 4.125 4.389 2.541 1.00 0.00 H ATOM 1349 HD13 LEU A 85 2.518 4.046 1.855 1.00 0.00 H ATOM 1350 H LEU A 85 7.547 6.194 -0.078 1.00 0.00 H ATOM 1351 N THR A 86 4.947 2.963 -1.539 1.00 18.80 N ATOM 1352 CA THR A 86 4.365 2.394 -2.753 1.00 19.87 C ATOM 1353 C THR A 86 2.864 2.135 -2.607 1.00 22.39 C ATOM 1354 O THR A 86 2.107 2.213 -3.581 1.00 22.71 O ATOM 1355 CB THR A 86 5.071 1.069 -3.138 1.00 19.12 C ATOM 1356 OG1 THR A 86 4.861 0.078 -2.123 1.00 17.68 O ATOM 1357 CG2 THR A 86 6.557 1.297 -3.297 1.00 18.82 C ATOM 1358 HA THR A 86 4.513 3.132 -3.541 1.00 0.00 H ATOM 1359 HB THR A 86 4.649 0.721 -4.081 1.00 0.00 H ATOM 1360 HG1 THR A 86 5.231 0.403 -1.264 1.00 0.00 H ATOM 1361 HG23 THR A 86 6.728 2.049 -4.067 1.00 0.00 H ATOM 1362 HG21 THR A 86 6.974 1.643 -2.351 1.00 0.00 H ATOM 1363 HG22 THR A 86 7.038 0.363 -3.587 1.00 0.00 H ATOM 1364 H THR A 86 5.028 2.369 -0.689 1.00 0.00 H ATOM 1365 N THR A 87 2.441 1.848 -1.380 1.00 24.44 N ATOM 1366 CA THR A 87 1.055 1.559 -1.084 1.00 25.74 C ATOM 1367 C THR A 87 0.614 2.254 0.190 1.00 28.70 C ATOM 1368 O THR A 87 0.864 1.748 1.284 1.00 28.88 O ATOM 1369 CB THR A 87 0.846 0.061 -0.871 1.00 26.37 C ATOM 1370 OG1 THR A 87 1.448 -0.675 -1.942 1.00 28.32 O ATOM 1371 CG2 THR A 87 -0.631 -0.258 -0.802 1.00 27.95 C ATOM 1372 HA THR A 87 0.472 1.913 -1.934 1.00 0.00 H ATOM 1373 HB THR A 87 1.315 -0.225 0.070 1.00 0.00 H ATOM 1374 HG1 THR A 87 2.419 -0.482 -1.969 1.00 0.00 H ATOM 1375 HG23 THR A 87 -1.085 0.304 0.014 1.00 0.00 H ATOM 1376 HG21 THR A 87 -1.106 0.019 -1.743 1.00 0.00 H ATOM 1377 HG22 THR A 87 -0.763 -1.326 -0.627 1.00 0.00 H ATOM 1378 H THR A 87 3.133 1.831 -0.604 1.00 0.00 H ATOM 1379 N PRO A 88 -0.009 3.445 0.071 1.00 32.20 N ATOM 1380 CA PRO A 88 -0.510 4.243 1.202 1.00 34.28 C ATOM 1381 C PRO A 88 -1.878 3.798 1.735 1.00 35.82 C ATOM 1382 O PRO A 88 -2.737 3.354 0.973 1.00 37.01 O ATOM 1383 CB PRO A 88 -0.568 5.659 0.642 1.00 34.22 C ATOM 1384 CG PRO A 88 -0.828 5.465 -0.803 1.00 34.32 C ATOM 1385 CD PRO A 88 -0.193 4.155 -1.209 1.00 33.24 C ATOM 1386 HA PRO A 88 0.140 4.136 2.071 1.00 0.00 H ATOM 1387 HD3 PRO A 88 -0.849 3.594 -1.874 1.00 0.00 H ATOM 1388 HD2 PRO A 88 0.765 4.323 -1.702 1.00 0.00 H ATOM 1389 HG3 PRO A 88 -0.389 6.284 -1.373 1.00 0.00 H ATOM 1390 HG2 PRO A 88 -1.902 5.431 -0.987 1.00 0.00 H ATOM 1391 HB2 PRO A 88 -1.373 6.227 1.108 1.00 0.00 H ATOM 1392 HB3 PRO A 88 0.378 6.177 0.799 1.00 0.00 H ATOM 1393 N SER A 89 -2.066 3.930 3.049 1.00 36.69 N ATOM 1394 CA SER A 89 -3.316 3.568 3.725 1.00 37.40 C ATOM 1395 C SER A 89 -3.540 4.503 4.909 1.00 38.07 C ATOM 1396 O SER A 89 -3.250 4.144 6.046 1.00 38.05 O ATOM 1397 CB SER A 89 -3.272 2.126 4.248 1.00 35.16 C ATOM 1398 OG SER A 89 -2.251 1.379 3.626 1.00 36.01 O ATOM 1399 HA SER A 89 -4.126 3.656 3.001 1.00 0.00 H ATOM 1400 HB2 SER A 89 -4.231 1.648 4.050 1.00 0.00 H ATOM 1401 HB3 SER A 89 -3.092 2.145 5.323 1.00 0.00 H ATOM 1402 HG SER A 89 -2.252 0.457 3.986 1.00 0.00 H ATOM 1403 H SER A 89 -1.286 4.309 3.623 1.00 0.00 H ATOM 1404 N PRO A 90 -4.047 5.720 4.658 1.00 39.94 N ATOM 1405 CA PRO A 90 -4.286 6.671 5.752 1.00 40.94 C ATOM 1406 C PRO A 90 -5.268 6.196 6.827 1.00 41.03 C ATOM 1407 O PRO A 90 -5.464 6.876 7.832 1.00 41.71 O ATOM 1408 CB PRO A 90 -4.780 7.939 5.038 1.00 41.65 C ATOM 1409 CG PRO A 90 -4.338 7.778 3.611 1.00 40.94 C ATOM 1410 CD PRO A 90 -4.393 6.297 3.347 1.00 40.30 C ATOM 1411 HA PRO A 90 -3.374 6.822 6.330 1.00 0.00 H ATOM 1412 HD3 PRO A 90 -5.391 5.990 3.033 1.00 0.00 H ATOM 1413 HD2 PRO A 90 -3.669 6.006 2.586 1.00 0.00 H ATOM 1414 HG3 PRO A 90 -3.323 8.153 3.480 1.00 0.00 H ATOM 1415 HG2 PRO A 90 -5.010 8.312 2.939 1.00 0.00 H ATOM 1416 HB2 PRO A 90 -5.866 8.014 5.097 1.00 0.00 H ATOM 1417 HB3 PRO A 90 -4.331 8.828 5.481 1.00 0.00 H ATOM 1418 N GLN A 91 -5.878 5.035 6.624 1.00 40.88 N ATOM 1419 CA GLN A 91 -6.825 4.501 7.603 1.00 42.00 C ATOM 1420 C GLN A 91 -6.272 3.259 8.313 1.00 41.16 C ATOM 1421 O GLN A 91 -6.850 2.780 9.294 1.00 41.69 O ATOM 1422 CB GLN A 91 -8.171 4.170 6.937 1.00 43.50 C ATOM 1423 CG GLN A 91 -8.187 4.282 5.411 1.00 45.41 C ATOM 1424 CD GLN A 91 -6.973 3.627 4.750 1.00 45.98 C ATOM 1425 OE1 GLN A 91 -6.191 4.300 4.071 1.00 45.14 O ATOM 1426 NE2 GLN A 91 -6.808 2.313 4.951 1.00 45.35 N ATOM 1427 HA GLN A 91 -6.981 5.276 8.354 1.00 0.00 H ATOM 1428 HB2 GLN A 91 -8.437 3.147 7.203 1.00 0.00 H ATOM 1429 HB3 GLN A 91 -8.921 4.854 7.334 1.00 0.00 H ATOM 1430 HG2 GLN A 91 -9.089 3.799 5.037 1.00 0.00 H ATOM 1431 HG3 GLN A 91 -8.203 5.338 5.140 1.00 0.00 H ATOM 1432 HE22 GLN A 91 -7.492 1.786 5.530 1.00 0.00 H ATOM 1433 HE21 GLN A 91 -5.996 1.820 4.528 1.00 0.00 H ATOM 1434 H GLN A 91 -5.680 4.497 5.756 1.00 0.00 H ATOM 1435 N ASN A 92 -5.156 2.737 7.808 1.00 39.43 N ATOM 1436 CA ASN A 92 -4.513 1.573 8.408 1.00 37.81 C ATOM 1437 C ASN A 92 -3.017 1.541 8.094 1.00 36.64 C ATOM 1438 O ASN A 92 -2.572 0.822 7.200 1.00 36.76 O ATOM 1439 CB ASN A 92 -5.166 0.293 7.917 1.00 38.78 C ATOM 1440 CG ASN A 92 -4.873 -0.875 8.820 1.00 38.53 C ATOM 1441 OD1 ASN A 92 -5.564 -1.885 8.780 1.00 40.91 O ATOM 1442 ND2 ASN A 92 -3.840 -0.743 9.648 1.00 36.67 N ATOM 1443 HA ASN A 92 -4.637 1.649 9.488 1.00 0.00 H ATOM 1444 HB2 ASN A 92 -6.245 0.443 7.874 1.00 0.00 H ATOM 1445 HB3 ASN A 92 -4.792 0.068 6.918 1.00 0.00 H ATOM 1446 HD22 ASN A 92 -3.281 0.134 9.647 1.00 0.00 H ATOM 1447 HD21 ASN A 92 -3.591 -1.517 10.297 1.00 0.00 H ATOM 1448 H ASN A 92 -4.731 3.171 6.963 1.00 0.00 H ATOM 1449 N ILE A 93 -2.255 2.321 8.857 1.00 33.85 N ATOM 1450 CA ILE A 93 -0.805 2.469 8.699 1.00 30.51 C ATOM 1451 C ILE A 93 0.031 1.208 8.524 1.00 27.27 C ATOM 1452 O ILE A 93 0.920 1.158 7.688 1.00 24.79 O ATOM 1453 CB ILE A 93 -0.202 3.232 9.900 1.00 32.12 C ATOM 1454 CG1 ILE A 93 -0.888 4.589 10.074 1.00 32.32 C ATOM 1455 CG2 ILE A 93 1.296 3.414 9.701 1.00 33.03 C ATOM 1456 CD1 ILE A 93 -0.557 5.255 11.412 1.00 32.80 C ATOM 1457 HA ILE A 93 -0.744 3.004 7.752 1.00 0.00 H ATOM 1458 HB ILE A 93 -0.368 2.648 10.805 1.00 0.00 H ATOM 1459 HG12 ILE A 93 -0.566 5.248 9.268 1.00 0.00 H ATOM 1460 HG13 ILE A 93 -1.967 4.444 10.014 1.00 0.00 H ATOM 1461 HD11 ILE A 93 -0.883 4.610 12.228 1.00 0.00 H ATOM 1462 HD12 ILE A 93 0.519 5.414 11.481 1.00 0.00 H ATOM 1463 HD13 ILE A 93 -1.072 6.213 11.477 1.00 0.00 H ATOM 1464 HG21 ILE A 93 1.772 2.437 9.620 1.00 0.00 H ATOM 1465 HG22 ILE A 93 1.474 3.982 8.788 1.00 0.00 H ATOM 1466 HG23 ILE A 93 1.712 3.953 10.553 1.00 0.00 H ATOM 1467 H ILE A 93 -2.719 2.861 9.615 1.00 0.00 H ATOM 1468 N SER A 94 -0.234 0.203 9.338 1.00 26.51 N ATOM 1469 CA SER A 94 0.524 -1.029 9.280 1.00 27.39 C ATOM 1470 C SER A 94 0.407 -1.711 7.927 1.00 26.69 C ATOM 1471 O SER A 94 1.153 -2.635 7.635 1.00 26.50 O ATOM 1472 CB SER A 94 0.050 -1.970 10.381 1.00 29.13 C ATOM 1473 OG SER A 94 -1.316 -1.734 10.678 1.00 34.59 O ATOM 1474 HA SER A 94 1.575 -0.781 9.427 1.00 0.00 H ATOM 1475 HB2 SER A 94 0.647 -1.804 11.278 1.00 0.00 H ATOM 1476 HB3 SER A 94 0.173 -3.001 10.050 1.00 0.00 H ATOM 1477 HG SER A 94 -1.608 -2.352 11.394 1.00 0.00 H ATOM 1478 H SER A 94 -1.001 0.298 10.034 1.00 0.00 H ATOM 1479 N ASN A 95 -0.528 -1.251 7.105 1.00 26.42 N ATOM 1480 CA ASN A 95 -0.730 -1.827 5.778 1.00 27.71 C ATOM 1481 C ASN A 95 0.115 -1.161 4.691 1.00 26.93 C ATOM 1482 O ASN A 95 0.179 -1.641 3.549 1.00 27.73 O ATOM 1483 CB ASN A 95 -2.206 -1.756 5.390 1.00 29.31 C ATOM 1484 CG ASN A 95 -2.949 -3.023 5.743 1.00 30.75 C ATOM 1485 OD1 ASN A 95 -2.398 -3.908 6.406 1.00 33.31 O ATOM 1486 ND2 ASN A 95 -4.207 -3.122 5.309 1.00 32.70 N ATOM 1487 HA ASN A 95 -0.404 -2.865 5.845 1.00 0.00 H ATOM 1488 HB2 ASN A 95 -2.668 -0.920 5.915 1.00 0.00 H ATOM 1489 HB3 ASN A 95 -2.279 -1.593 4.315 1.00 0.00 H ATOM 1490 HD22 ASN A 95 -4.628 -2.350 4.754 1.00 0.00 H ATOM 1491 HD21 ASN A 95 -4.767 -3.971 5.526 1.00 0.00 H ATOM 1492 H ASN A 95 -1.131 -0.462 7.413 1.00 0.00 H ATOM 1493 N CYS A 96 0.758 -0.055 5.044 1.00 23.57 N ATOM 1494 CA CYS A 96 1.605 0.658 4.105 1.00 22.19 C ATOM 1495 C CYS A 96 2.765 -0.200 3.631 1.00 20.59 C ATOM 1496 O CYS A 96 3.406 -0.882 4.425 1.00 20.82 O ATOM 1497 CB CYS A 96 2.116 1.928 4.761 1.00 21.57 C ATOM 1498 SG CYS A 96 0.778 3.143 4.876 1.00 21.85 S ATOM 1499 HA CYS A 96 1.012 0.910 3.226 1.00 0.00 H ATOM 1500 HB2 CYS A 96 2.930 2.341 4.165 1.00 0.00 H ATOM 1501 HB3 CYS A 96 2.482 1.697 5.761 1.00 0.00 H ATOM 1502 H CYS A 96 0.653 0.308 6.013 1.00 0.00 H ATOM 1503 N ARG A 97 3.017 -0.171 2.324 1.00 20.53 N ATOM 1504 CA ARG A 97 4.094 -0.941 1.716 1.00 17.65 C ATOM 1505 C ARG A 97 5.095 0.042 1.135 1.00 16.54 C ATOM 1506 O ARG A 97 4.730 1.157 0.757 1.00 15.44 O ATOM 1507 CB ARG A 97 3.536 -1.861 0.628 1.00 17.75 C ATOM 1508 CG ARG A 97 2.634 -2.958 1.187 1.00 19.11 C ATOM 1509 CD ARG A 97 2.338 -4.083 0.183 1.00 19.08 C ATOM 1510 NE ARG A 97 3.337 -5.155 0.196 1.00 19.82 N ATOM 1511 CZ ARG A 97 3.262 -6.261 0.935 1.00 21.13 C ATOM 1512 NH1 ARG A 97 2.232 -6.461 1.739 1.00 24.15 N ATOM 1513 NH2 ARG A 97 4.218 -7.176 0.872 1.00 22.15 N ATOM 1514 HA ARG A 97 4.582 -1.572 2.459 1.00 0.00 H ATOM 1515 HB2 ARG A 97 2.959 -1.260 -0.075 1.00 0.00 H ATOM 1516 HB3 ARG A 97 4.370 -2.328 0.105 1.00 0.00 H ATOM 1517 HG2 ARG A 97 3.121 -3.394 2.059 1.00 0.00 H ATOM 1518 HG3 ARG A 97 1.688 -2.507 1.488 1.00 0.00 H ATOM 1519 HD2 ARG A 97 2.306 -3.653 -0.818 1.00 0.00 H ATOM 1520 HD3 ARG A 97 1.366 -4.514 0.423 1.00 0.00 H ATOM 1521 HE ARG A 97 4.168 -5.044 -0.419 1.00 0.00 H ATOM 1522 HH12 ARG A 97 2.181 -7.327 2.313 1.00 0.00 H ATOM 1523 HH11 ARG A 97 1.473 -5.752 1.798 1.00 0.00 H ATOM 1524 HH22 ARG A 97 4.153 -8.037 1.452 1.00 0.00 H ATOM 1525 HH21 ARG A 97 5.034 -7.033 0.243 1.00 0.00 H ATOM 1526 H ARG A 97 2.422 0.424 1.713 1.00 0.00 H ATOM 1527 N TYR A 98 6.361 -0.362 1.082 1.00 15.97 N ATOM 1528 CA TYR A 98 7.430 0.507 0.579 1.00 14.39 C ATOM 1529 C TYR A 98 8.370 -0.224 -0.359 1.00 14.25 C ATOM 1530 O TYR A 98 8.410 -1.451 -0.382 1.00 12.63 O ATOM 1531 CB TYR A 98 8.295 1.029 1.732 1.00 13.38 C ATOM 1532 CG TYR A 98 7.658 2.088 2.586 1.00 12.78 C ATOM 1533 CD1 TYR A 98 6.656 1.763 3.491 1.00 11.01 C ATOM 1534 CD2 TYR A 98 8.046 3.419 2.471 1.00 13.42 C ATOM 1535 CE1 TYR A 98 6.057 2.737 4.254 1.00 14.48 C ATOM 1536 CE2 TYR A 98 7.455 4.408 3.229 1.00 12.18 C ATOM 1537 CZ TYR A 98 6.459 4.062 4.119 1.00 13.99 C ATOM 1538 OH TYR A 98 5.860 5.039 4.875 1.00 17.28 O ATOM 1539 HA TYR A 98 6.927 1.318 0.053 1.00 0.00 H ATOM 1540 HB3 TYR A 98 9.209 1.444 1.306 1.00 0.00 H ATOM 1541 HB2 TYR A 98 8.546 0.185 2.374 1.00 0.00 H ATOM 1542 HD2 TYR A 98 8.834 3.686 1.767 1.00 0.00 H ATOM 1543 HE2 TYR A 98 7.770 5.447 3.127 1.00 0.00 H ATOM 1544 HE1 TYR A 98 5.271 2.472 4.961 1.00 0.00 H ATOM 1545 HD1 TYR A 98 6.341 0.725 3.597 1.00 0.00 H ATOM 1546 HH TYR A 98 5.434 5.703 4.277 1.00 0.00 H ATOM 1547 H TYR A 98 6.600 -1.321 1.406 1.00 0.00 H ATOM 1548 N ALA A 99 9.139 0.556 -1.116 1.00 12.66 N ATOM 1549 CA ALA A 99 10.144 0.020 -2.017 1.00 12.91 C ATOM 1550 C ALA A 99 11.439 0.360 -1.296 1.00 12.57 C ATOM 1551 O ALA A 99 11.439 1.248 -0.444 1.00 11.83 O ATOM 1552 CB ALA A 99 10.085 0.738 -3.358 1.00 11.06 C ATOM 1553 HA ALA A 99 10.023 -1.042 -2.230 1.00 0.00 H ATOM 1554 HB1 ALA A 99 9.098 0.599 -3.800 1.00 0.00 H ATOM 1555 HB2 ALA A 99 10.271 1.802 -3.208 1.00 0.00 H ATOM 1556 HB3 ALA A 99 10.844 0.326 -4.023 1.00 0.00 H ATOM 1557 H ALA A 99 9.015 1.587 -1.060 1.00 0.00 H ATOM 1558 N GLN A 100 12.520 -0.355 -1.604 1.00 13.68 N ATOM 1559 CA GLN A 100 13.830 -0.077 -1.004 1.00 12.83 C ATOM 1560 C GLN A 100 14.797 0.179 -2.130 1.00 12.09 C ATOM 1561 O GLN A 100 14.841 -0.572 -3.107 1.00 13.58 O ATOM 1562 CB GLN A 100 14.360 -1.249 -0.169 1.00 12.60 C ATOM 1563 CG GLN A 100 14.219 -2.612 -0.812 1.00 16.69 C ATOM 1564 CD GLN A 100 12.965 -3.318 -0.334 1.00 17.97 C ATOM 1565 OE1 GLN A 100 12.458 -3.027 0.751 1.00 17.43 O ATOM 1566 NE2 GLN A 100 12.447 -4.231 -1.147 1.00 17.03 N ATOM 1567 HA GLN A 100 13.726 0.778 -0.336 1.00 0.00 H ATOM 1568 HB2 GLN A 100 15.418 -1.075 0.024 1.00 0.00 H ATOM 1569 HB3 GLN A 100 13.817 -1.263 0.776 1.00 0.00 H ATOM 1570 HG2 GLN A 100 14.169 -2.491 -1.894 1.00 0.00 H ATOM 1571 HG3 GLN A 100 15.088 -3.218 -0.555 1.00 0.00 H ATOM 1572 HE22 GLN A 100 12.911 -4.443 -2.053 1.00 0.00 H ATOM 1573 HE21 GLN A 100 11.578 -4.734 -0.877 1.00 0.00 H ATOM 1574 H GLN A 100 12.433 -1.132 -2.289 1.00 0.00 H ATOM 1575 N THR A 101 15.576 1.240 -1.993 1.00 11.79 N ATOM 1576 CA THR A 101 16.547 1.589 -3.014 1.00 12.73 C ATOM 1577 C THR A 101 17.930 1.728 -2.394 1.00 12.54 C ATOM 1578 O THR A 101 18.196 2.691 -1.699 1.00 13.21 O ATOM 1579 CB THR A 101 16.162 2.917 -3.695 1.00 13.22 C ATOM 1580 OG1 THR A 101 14.910 2.753 -4.371 1.00 15.71 O ATOM 1581 CG2 THR A 101 17.250 3.353 -4.692 1.00 15.01 C ATOM 1582 HA THR A 101 16.558 0.794 -3.760 1.00 0.00 H ATOM 1583 HB THR A 101 16.069 3.693 -2.935 1.00 0.00 H ATOM 1584 HG1 THR A 101 14.659 3.604 -4.810 1.00 0.00 H ATOM 1585 HG23 THR A 101 18.196 3.474 -4.165 1.00 0.00 H ATOM 1586 HG21 THR A 101 17.358 2.593 -5.465 1.00 0.00 H ATOM 1587 HG22 THR A 101 16.964 4.300 -5.149 1.00 0.00 H ATOM 1588 H THR A 101 15.491 1.832 -1.142 1.00 0.00 H ATOM 1589 N PRO A 102 18.820 0.753 -2.632 1.00 13.12 N ATOM 1590 CA PRO A 102 20.185 0.772 -2.096 1.00 14.05 C ATOM 1591 C PRO A 102 21.110 1.716 -2.847 1.00 14.95 C ATOM 1592 O PRO A 102 21.042 1.824 -4.068 1.00 14.99 O ATOM 1593 CB PRO A 102 20.643 -0.680 -2.225 1.00 15.92 C ATOM 1594 CG PRO A 102 19.874 -1.203 -3.395 1.00 14.21 C ATOM 1595 CD PRO A 102 18.550 -0.467 -3.417 1.00 13.33 C ATOM 1596 HA PRO A 102 20.209 1.143 -1.072 1.00 0.00 H ATOM 1597 HD3 PRO A 102 18.260 -0.218 -4.438 1.00 0.00 H ATOM 1598 HD2 PRO A 102 17.765 -1.063 -2.953 1.00 0.00 H ATOM 1599 HG3 PRO A 102 19.706 -2.274 -3.285 1.00 0.00 H ATOM 1600 HG2 PRO A 102 20.422 -1.016 -4.318 1.00 0.00 H ATOM 1601 HB2 PRO A 102 21.716 -0.732 -2.412 1.00 0.00 H ATOM 1602 HB3 PRO A 102 20.405 -1.243 -1.322 1.00 0.00 H ATOM 1603 N ALA A 103 21.976 2.403 -2.114 1.00 13.98 N ATOM 1604 CA ALA A 103 22.916 3.329 -2.737 1.00 15.61 C ATOM 1605 C ALA A 103 24.103 3.592 -1.831 1.00 15.51 C ATOM 1606 O ALA A 103 24.152 3.133 -0.703 1.00 17.24 O ATOM 1607 CB ALA A 103 22.216 4.651 -3.083 1.00 13.65 C ATOM 1608 HA ALA A 103 23.281 2.869 -3.656 1.00 0.00 H ATOM 1609 HB1 ALA A 103 21.397 4.457 -3.775 1.00 0.00 H ATOM 1610 HB2 ALA A 103 21.824 5.102 -2.172 1.00 0.00 H ATOM 1611 HB3 ALA A 103 22.932 5.329 -3.547 1.00 0.00 H ATOM 1612 H ALA A 103 21.985 2.280 -1.081 1.00 0.00 H ATOM 1613 N ASN A 104 25.075 4.319 -2.350 1.00 17.55 N ATOM 1614 CA ASN A 104 26.260 4.679 -1.591 1.00 18.35 C ATOM 1615 C ASN A 104 26.431 6.175 -1.795 1.00 18.64 C ATOM 1616 O ASN A 104 26.828 6.616 -2.870 1.00 18.37 O ATOM 1617 CB ASN A 104 27.487 3.948 -2.129 1.00 20.83 C ATOM 1618 CG ASN A 104 27.907 2.816 -1.243 1.00 25.25 C ATOM 1619 OD1 ASN A 104 27.428 1.692 -1.388 1.00 27.40 O ATOM 1620 ND2 ASN A 104 28.804 3.101 -0.302 1.00 28.61 N ATOM 1621 HA ASN A 104 26.155 4.411 -0.540 1.00 0.00 H ATOM 1622 HB2 ASN A 104 27.254 3.552 -3.118 1.00 0.00 H ATOM 1623 HB3 ASN A 104 28.311 4.657 -2.208 1.00 0.00 H ATOM 1624 HD22 ASN A 104 29.181 4.067 -0.218 1.00 0.00 H ATOM 1625 HD21 ASN A 104 29.128 2.358 0.349 1.00 0.00 H ATOM 1626 H ASN A 104 24.990 4.644 -3.334 1.00 0.00 H ATOM 1627 N MET A 105 26.104 6.969 -0.786 1.00 16.78 N ATOM 1628 CA MET A 105 26.246 8.403 -0.950 1.00 18.14 C ATOM 1629 C MET A 105 26.732 9.074 0.316 1.00 17.36 C ATOM 1630 O MET A 105 26.879 8.434 1.362 1.00 15.07 O ATOM 1631 CB MET A 105 24.916 9.039 -1.366 1.00 19.48 C ATOM 1632 CG MET A 105 23.976 8.130 -2.151 1.00 23.79 C ATOM 1633 SD MET A 105 22.370 8.939 -2.516 1.00 30.55 S ATOM 1634 CE MET A 105 21.878 8.103 -4.058 1.00 32.87 C ATOM 1635 HA MET A 105 26.990 8.553 -1.732 1.00 0.00 H ATOM 1636 HB2 MET A 105 24.398 9.359 -0.462 1.00 0.00 H ATOM 1637 HB3 MET A 105 25.137 9.909 -1.984 1.00 0.00 H ATOM 1638 HG2 MET A 105 23.790 7.229 -1.567 1.00 0.00 H ATOM 1639 HG3 MET A 105 24.454 7.859 -3.092 1.00 0.00 H ATOM 1640 HE1 MET A 105 22.633 8.281 -4.823 1.00 0.00 H ATOM 1641 HE2 MET A 105 21.789 7.032 -3.877 1.00 0.00 H ATOM 1642 HE3 MET A 105 20.919 8.497 -4.393 1.00 0.00 H ATOM 1643 H MET A 105 25.752 6.571 0.108 1.00 0.00 H ATOM 1644 N PHE A 106 26.996 10.369 0.189 1.00 16.44 N ATOM 1645 CA PHE A 106 27.427 11.188 1.303 1.00 16.58 C ATOM 1646 C PHE A 106 26.155 11.605 2.011 1.00 14.50 C ATOM 1647 O PHE A 106 25.063 11.506 1.458 1.00 13.89 O ATOM 1648 CB PHE A 106 28.118 12.471 0.817 1.00 19.36 C ATOM 1649 CG PHE A 106 29.452 12.247 0.177 1.00 20.80 C ATOM 1650 CD1 PHE A 106 30.584 12.023 0.958 1.00 21.97 C ATOM 1651 CD2 PHE A 106 29.585 12.288 -1.202 1.00 22.97 C ATOM 1652 CE1 PHE A 106 31.827 11.843 0.373 1.00 23.72 C ATOM 1653 CE2 PHE A 106 30.835 12.108 -1.802 1.00 23.31 C ATOM 1654 CZ PHE A 106 31.951 11.886 -1.017 1.00 22.91 C ATOM 1655 HA PHE A 106 28.125 10.634 1.931 1.00 0.00 H ATOM 1656 HB2 PHE A 106 27.467 12.955 0.089 1.00 0.00 H ATOM 1657 HB3 PHE A 106 28.256 13.130 1.674 1.00 0.00 H ATOM 1658 HD2 PHE A 106 28.707 12.462 -1.824 1.00 0.00 H ATOM 1659 HE2 PHE A 106 30.929 12.143 -2.887 1.00 0.00 H ATOM 1660 HZ PHE A 106 32.926 11.745 -1.483 1.00 0.00 H ATOM 1661 HE1 PHE A 106 32.705 11.669 0.995 1.00 0.00 H ATOM 1662 HD1 PHE A 106 30.490 11.989 2.043 1.00 0.00 H ATOM 1663 H PHE A 106 26.889 10.812 -0.746 1.00 0.00 H ATOM 1664 N TYR A 107 26.295 12.072 3.239 1.00 13.82 N ATOM 1665 CA TYR A 107 25.144 12.565 3.953 1.00 12.84 C ATOM 1666 C TYR A 107 25.550 13.819 4.685 1.00 13.32 C ATOM 1667 O TYR A 107 26.724 14.020 5.021 1.00 13.28 O ATOM 1668 CB TYR A 107 24.570 11.529 4.936 1.00 13.25 C ATOM 1669 CG TYR A 107 25.498 11.041 6.030 1.00 11.81 C ATOM 1670 CD1 TYR A 107 26.231 9.876 5.861 1.00 11.18 C ATOM 1671 CD2 TYR A 107 25.604 11.717 7.252 1.00 12.14 C ATOM 1672 CE1 TYR A 107 27.046 9.382 6.869 1.00 14.76 C ATOM 1673 CE2 TYR A 107 26.423 11.229 8.279 1.00 15.08 C ATOM 1674 CZ TYR A 107 27.141 10.054 8.076 1.00 15.33 C ATOM 1675 OH TYR A 107 27.953 9.520 9.063 1.00 18.23 O ATOM 1676 HA TYR A 107 24.351 12.774 3.235 1.00 0.00 H ATOM 1677 HB3 TYR A 107 24.258 10.661 4.356 1.00 0.00 H ATOM 1678 HB2 TYR A 107 23.699 11.976 5.416 1.00 0.00 H ATOM 1679 HD2 TYR A 107 25.041 12.637 7.407 1.00 0.00 H ATOM 1680 HE2 TYR A 107 26.497 11.763 9.226 1.00 0.00 H ATOM 1681 HE1 TYR A 107 27.612 8.464 6.711 1.00 0.00 H ATOM 1682 HD1 TYR A 107 26.165 9.337 4.916 1.00 0.00 H ATOM 1683 HH TYR A 107 28.375 8.689 8.728 1.00 0.00 H ATOM 1684 H TYR A 107 27.233 12.084 3.689 1.00 0.00 H ATOM 1685 N ILE A 108 24.565 14.680 4.889 1.00 11.97 N ATOM 1686 CA ILE A 108 24.753 15.920 5.609 1.00 11.84 C ATOM 1687 C ILE A 108 23.743 15.847 6.741 1.00 11.24 C ATOM 1688 O ILE A 108 22.556 15.629 6.515 1.00 11.50 O ATOM 1689 CB ILE A 108 24.474 17.141 4.701 1.00 13.07 C ATOM 1690 CG1 ILE A 108 25.520 17.188 3.580 1.00 13.01 C ATOM 1691 CG2 ILE A 108 24.508 18.445 5.527 1.00 12.52 C ATOM 1692 CD1 ILE A 108 25.149 18.084 2.447 1.00 14.58 C ATOM 1693 HA ILE A 108 25.776 16.042 5.965 1.00 0.00 H ATOM 1694 HB ILE A 108 23.481 17.045 4.262 1.00 0.00 H ATOM 1695 HG12 ILE A 108 26.461 17.540 4.003 1.00 0.00 H ATOM 1696 HG13 ILE A 108 25.653 16.178 3.191 1.00 0.00 H ATOM 1697 HD11 ILE A 108 24.215 17.740 2.004 1.00 0.00 H ATOM 1698 HD12 ILE A 108 25.024 19.102 2.816 1.00 0.00 H ATOM 1699 HD13 ILE A 108 25.938 18.063 1.696 1.00 0.00 H ATOM 1700 HG21 ILE A 108 23.747 18.400 6.306 1.00 0.00 H ATOM 1701 HG22 ILE A 108 25.491 18.559 5.984 1.00 0.00 H ATOM 1702 HG23 ILE A 108 24.310 19.294 4.872 1.00 0.00 H ATOM 1703 H ILE A 108 23.620 14.456 4.517 1.00 0.00 H ATOM 1704 N VAL A 109 24.240 15.976 7.962 1.00 10.69 N ATOM 1705 CA VAL A 109 23.409 15.925 9.157 1.00 12.08 C ATOM 1706 C VAL A 109 23.538 17.218 9.940 1.00 11.88 C ATOM 1707 O VAL A 109 24.609 17.829 9.981 1.00 11.87 O ATOM 1708 CB VAL A 109 23.841 14.787 10.130 1.00 12.06 C ATOM 1709 CG1 VAL A 109 23.387 13.447 9.597 1.00 13.84 C ATOM 1710 CG2 VAL A 109 25.376 14.814 10.342 1.00 11.54 C ATOM 1711 HA VAL A 109 22.391 15.754 8.808 1.00 0.00 H ATOM 1712 HB VAL A 109 23.365 14.947 11.098 1.00 0.00 H ATOM 1713 HG11 VAL A 109 22.301 13.444 9.502 1.00 0.00 H ATOM 1714 HG12 VAL A 109 23.839 13.274 8.620 1.00 0.00 H ATOM 1715 HG13 VAL A 109 23.695 12.660 10.286 1.00 0.00 H ATOM 1716 HG21 VAL A 109 25.876 14.673 9.384 1.00 0.00 H ATOM 1717 HG22 VAL A 109 25.666 15.775 10.767 1.00 0.00 H ATOM 1718 HG23 VAL A 109 25.661 14.013 11.024 1.00 0.00 H ATOM 1719 H VAL A 109 25.264 16.119 8.072 1.00 0.00 H ATOM 1720 N ALA A 110 22.432 17.625 10.547 1.00 11.02 N ATOM 1721 CA ALA A 110 22.410 18.796 11.394 1.00 9.87 C ATOM 1722 C ALA A 110 22.599 18.205 12.787 1.00 9.54 C ATOM 1723 O ALA A 110 21.987 17.183 13.128 1.00 11.07 O ATOM 1724 CB ALA A 110 21.075 19.493 11.296 1.00 9.76 C ATOM 1725 HA ALA A 110 23.162 19.539 11.129 1.00 0.00 H ATOM 1726 HB1 ALA A 110 20.901 19.798 10.264 1.00 0.00 H ATOM 1727 HB2 ALA A 110 20.286 18.811 11.613 1.00 0.00 H ATOM 1728 HB3 ALA A 110 21.077 20.372 11.940 1.00 0.00 H ATOM 1729 H ALA A 110 21.554 17.085 10.410 1.00 0.00 H ATOM 1730 N CYS A 111 23.466 18.825 13.574 1.00 8.90 N ATOM 1731 CA CYS A 111 23.757 18.379 14.924 1.00 9.80 C ATOM 1732 C CYS A 111 23.549 19.509 15.910 1.00 11.74 C ATOM 1733 O CYS A 111 23.665 20.697 15.556 1.00 11.47 O ATOM 1734 CB CYS A 111 25.193 17.876 15.014 1.00 10.82 C ATOM 1735 SG CYS A 111 25.525 16.594 13.775 1.00 11.00 S ATOM 1736 HA CYS A 111 23.077 17.564 15.172 1.00 0.00 H ATOM 1737 HB2 CYS A 111 25.362 17.461 16.008 1.00 0.00 H ATOM 1738 HB3 CYS A 111 25.873 18.712 14.850 1.00 0.00 H ATOM 1739 H CYS A 111 23.958 19.666 13.209 1.00 0.00 H ATOM 1740 N ASP A 112 23.233 19.140 17.145 1.00 10.62 N ATOM 1741 CA ASP A 112 22.992 20.115 18.191 1.00 12.98 C ATOM 1742 C ASP A 112 23.463 19.553 19.520 1.00 12.79 C ATOM 1743 O ASP A 112 23.794 18.372 19.640 1.00 10.75 O ATOM 1744 CB ASP A 112 21.486 20.403 18.312 1.00 16.20 C ATOM 1745 CG ASP A 112 20.993 21.444 17.321 1.00 20.06 C ATOM 1746 OD1 ASP A 112 21.772 22.341 16.941 1.00 25.75 O ATOM 1747 OD2 ASP A 112 19.813 21.376 16.919 1.00 22.80 O ATOM 1748 HA ASP A 112 23.530 21.030 17.942 1.00 0.00 H ATOM 1749 HB2 ASP A 112 20.941 19.475 18.140 1.00 0.00 H ATOM 1750 HB3 ASP A 112 21.282 20.761 19.321 1.00 0.00 H ATOM 1751 H ASP A 112 23.156 18.127 17.368 1.00 0.00 H ATOM 1752 N ASN A 113 23.482 20.409 20.527 1.00 12.40 N ATOM 1753 CA ASN A 113 23.824 19.951 21.859 1.00 13.73 C ATOM 1754 C ASN A 113 22.714 18.985 22.272 1.00 13.82 C ATOM 1755 O ASN A 113 21.554 19.166 21.886 1.00 14.65 O ATOM 1756 CB ASN A 113 23.852 21.129 22.813 1.00 14.66 C ATOM 1757 CG ASN A 113 25.099 21.923 22.672 1.00 17.74 C ATOM 1758 OD1 ASN A 113 26.167 21.378 22.355 1.00 18.05 O ATOM 1759 ND2 ASN A 113 24.993 23.215 22.897 1.00 14.90 N ATOM 1760 HA ASN A 113 24.803 19.473 21.879 1.00 0.00 H ATOM 1761 HB2 ASN A 113 22.998 21.773 22.604 1.00 0.00 H ATOM 1762 HB3 ASN A 113 23.784 20.757 23.835 1.00 0.00 H ATOM 1763 HD22 ASN A 113 24.073 23.623 23.160 1.00 0.00 H ATOM 1764 HD21 ASN A 113 25.829 23.828 22.811 1.00 0.00 H ATOM 1765 H ASN A 113 23.252 21.410 20.364 1.00 0.00 H ATOM 1766 N ARG A 114 23.061 17.981 23.064 1.00 12.85 N ATOM 1767 CA ARG A 114 22.089 16.981 23.505 1.00 13.95 C ATOM 1768 C ARG A 114 20.975 17.541 24.399 1.00 14.82 C ATOM 1769 O ARG A 114 21.098 18.642 24.944 1.00 14.58 O ATOM 1770 CB ARG A 114 22.812 15.861 24.254 1.00 11.04 C ATOM 1771 CG ARG A 114 23.295 16.281 25.632 1.00 10.59 C ATOM 1772 CD ARG A 114 23.757 15.122 26.445 1.00 13.12 C ATOM 1773 NE ARG A 114 24.362 15.583 27.692 1.00 16.63 N ATOM 1774 CZ ARG A 114 23.748 15.575 28.875 1.00 17.55 C ATOM 1775 NH1 ARG A 114 22.504 15.132 28.988 1.00 17.35 N ATOM 1776 NH2 ARG A 114 24.381 16.016 29.949 1.00 17.52 N ATOM 1777 HA ARG A 114 21.607 16.610 22.601 1.00 0.00 H ATOM 1778 HB2 ARG A 114 22.127 15.021 24.367 1.00 0.00 H ATOM 1779 HB3 ARG A 114 23.674 15.549 23.664 1.00 0.00 H ATOM 1780 HG2 ARG A 114 24.123 16.981 25.516 1.00 0.00 H ATOM 1781 HG3 ARG A 114 22.476 16.773 26.156 1.00 0.00 H ATOM 1782 HD2 ARG A 114 24.494 14.555 25.876 1.00 0.00 H ATOM 1783 HD3 ARG A 114 22.905 14.481 26.674 1.00 0.00 H ATOM 1784 HE ARG A 114 25.337 15.942 27.654 1.00 0.00 H ATOM 1785 HH12 ARG A 114 22.035 15.130 29.916 1.00 0.00 H ATOM 1786 HH11 ARG A 114 21.997 14.786 28.148 1.00 0.00 H ATOM 1787 HH22 ARG A 114 23.904 16.011 30.873 1.00 0.00 H ATOM 1788 HH21 ARG A 114 25.356 16.368 29.870 1.00 0.00 H ATOM 1789 H ARG A 114 24.049 17.902 23.380 1.00 0.00 H ATOM 1790 N ASP A 115 19.885 16.781 24.524 1.00 15.82 N ATOM 1791 CA ASP A 115 18.775 17.153 25.405 1.00 18.13 C ATOM 1792 C ASP A 115 19.359 16.952 26.811 1.00 17.24 C ATOM 1793 O ASP A 115 19.659 15.831 27.214 1.00 15.84 O ATOM 1794 CB ASP A 115 17.578 16.218 25.179 1.00 18.53 C ATOM 1795 CG ASP A 115 16.369 16.572 26.050 1.00 20.39 C ATOM 1796 OD1 ASP A 115 16.460 16.463 27.288 1.00 18.97 O ATOM 1797 OD2 ASP A 115 15.317 16.946 25.486 1.00 23.02 O ATOM 1798 HA ASP A 115 18.410 18.166 25.235 1.00 0.00 H ATOM 1799 HB2 ASP A 115 17.282 16.279 24.132 1.00 0.00 H ATOM 1800 HB3 ASP A 115 17.885 15.198 25.409 1.00 0.00 H ATOM 1801 H ASP A 115 19.822 15.897 23.979 1.00 0.00 H ATOM 1802 N GLN A 116 19.544 18.046 27.536 1.00 18.81 N ATOM 1803 CA GLN A 116 20.134 17.989 28.868 1.00 21.47 C ATOM 1804 C GLN A 116 19.475 16.982 29.782 1.00 21.46 C ATOM 1805 O GLN A 116 20.144 16.221 30.475 1.00 22.17 O ATOM 1806 CB GLN A 116 20.093 19.374 29.530 1.00 25.01 C ATOM 1807 CG GLN A 116 20.790 20.486 28.731 1.00 30.98 C ATOM 1808 CD GLN A 116 22.229 20.140 28.369 1.00 32.31 C ATOM 1809 OE1 GLN A 116 22.950 19.553 29.175 1.00 31.57 O ATOM 1810 NE2 GLN A 116 22.649 20.498 27.143 1.00 34.66 N ATOM 1811 HA GLN A 116 21.164 17.663 28.723 1.00 0.00 H ATOM 1812 HB2 GLN A 116 19.049 19.656 29.665 1.00 0.00 H ATOM 1813 HB3 GLN A 116 20.577 19.300 30.504 1.00 0.00 H ATOM 1814 HG2 GLN A 116 20.231 20.657 27.811 1.00 0.00 H ATOM 1815 HG3 GLN A 116 20.791 21.397 29.329 1.00 0.00 H ATOM 1816 HE22 GLN A 116 22.003 20.993 26.496 1.00 0.00 H ATOM 1817 HE21 GLN A 116 23.620 20.280 26.842 1.00 0.00 H ATOM 1818 H GLN A 116 19.261 18.967 27.145 1.00 0.00 H ATOM 1819 N ARG A 117 18.154 16.960 29.756 1.00 22.56 N ATOM 1820 CA ARG A 117 17.385 16.086 30.622 1.00 23.48 C ATOM 1821 C ARG A 117 17.256 14.629 30.225 1.00 22.48 C ATOM 1822 O ARG A 117 17.313 13.751 31.087 1.00 22.19 O ATOM 1823 CB ARG A 117 15.976 16.666 30.788 1.00 26.36 C ATOM 1824 CG ARG A 117 15.753 17.424 32.084 1.00 32.01 C ATOM 1825 CD ARG A 117 15.138 16.520 33.153 1.00 37.66 C ATOM 1826 NE ARG A 117 13.835 16.002 32.735 1.00 43.71 N ATOM 1827 CZ ARG A 117 13.614 14.758 32.308 1.00 44.34 C ATOM 1828 NH1 ARG A 117 12.387 14.388 31.950 1.00 41.95 N ATOM 1829 NH2 ARG A 117 14.616 13.881 32.242 1.00 45.43 N ATOM 1830 HA ARG A 117 17.967 16.062 31.543 1.00 0.00 H ATOM 1831 HB2 ARG A 117 15.789 17.348 29.959 1.00 0.00 H ATOM 1832 HB3 ARG A 117 15.262 15.843 30.748 1.00 0.00 H ATOM 1833 HG2 ARG A 117 16.710 17.802 32.445 1.00 0.00 H ATOM 1834 HG3 ARG A 117 15.081 18.261 31.896 1.00 0.00 H ATOM 1835 HD2 ARG A 117 15.013 17.093 34.072 1.00 0.00 H ATOM 1836 HD3 ARG A 117 15.810 15.682 33.337 1.00 0.00 H ATOM 1837 HE ARG A 117 13.023 16.650 32.774 1.00 0.00 H ATOM 1838 HH12 ARG A 117 12.213 13.418 31.617 1.00 0.00 H ATOM 1839 HH11 ARG A 117 11.602 15.068 32.003 1.00 0.00 H ATOM 1840 HH22 ARG A 117 14.438 12.912 31.908 1.00 0.00 H ATOM 1841 HH21 ARG A 117 15.576 14.166 32.524 1.00 0.00 H ATOM 1842 H ARG A 117 17.651 17.587 29.096 1.00 0.00 H ATOM 1843 N ARG A 118 17.090 14.368 28.930 1.00 20.75 N ATOM 1844 CA ARG A 118 16.857 13.009 28.454 1.00 19.16 C ATOM 1845 C ARG A 118 17.909 12.295 27.620 1.00 18.12 C ATOM 1846 O ARG A 118 17.897 11.065 27.526 1.00 16.97 O ATOM 1847 CB ARG A 118 15.531 12.992 27.710 1.00 18.26 C ATOM 1848 CG ARG A 118 14.357 13.303 28.623 1.00 18.55 C ATOM 1849 CD ARG A 118 13.047 13.393 27.855 1.00 18.25 C ATOM 1850 NE ARG A 118 13.067 14.409 26.795 1.00 15.28 N ATOM 1851 CZ ARG A 118 12.261 14.396 25.732 1.00 16.10 C ATOM 1852 NH1 ARG A 118 11.367 13.420 25.585 1.00 14.51 N ATOM 1853 NH2 ARG A 118 12.345 15.350 24.816 1.00 12.67 N ATOM 1854 HA ARG A 118 16.883 12.426 29.374 1.00 0.00 H ATOM 1855 HB2 ARG A 118 15.565 13.737 26.915 1.00 0.00 H ATOM 1856 HB3 ARG A 118 15.385 12.004 27.274 1.00 0.00 H ATOM 1857 HG2 ARG A 118 14.274 12.514 29.371 1.00 0.00 H ATOM 1858 HG3 ARG A 118 14.540 14.256 29.120 1.00 0.00 H ATOM 1859 HD2 ARG A 118 12.250 13.639 28.557 1.00 0.00 H ATOM 1860 HD3 ARG A 118 12.843 12.423 27.402 1.00 0.00 H ATOM 1861 HE ARG A 118 13.752 15.187 26.878 1.00 0.00 H ATOM 1862 HH12 ARG A 118 10.739 13.411 24.756 1.00 0.00 H ATOM 1863 HH11 ARG A 118 11.297 12.667 26.299 1.00 0.00 H ATOM 1864 HH22 ARG A 118 11.714 15.334 23.990 1.00 0.00 H ATOM 1865 HH21 ARG A 118 13.042 16.114 24.924 1.00 0.00 H ATOM 1866 H ARG A 118 17.127 15.149 28.244 1.00 0.00 H ATOM 1867 N ASP A 119 18.803 13.049 26.995 1.00 17.64 N ATOM 1868 CA ASP A 119 19.850 12.428 26.204 1.00 16.55 C ATOM 1869 C ASP A 119 20.999 12.040 27.118 1.00 17.82 C ATOM 1870 O ASP A 119 21.341 12.768 28.056 1.00 18.93 O ATOM 1871 CB ASP A 119 20.368 13.389 25.145 1.00 14.00 C ATOM 1872 CG ASP A 119 19.569 13.334 23.867 1.00 12.53 C ATOM 1873 OD1 ASP A 119 19.056 12.246 23.511 1.00 13.68 O ATOM 1874 OD2 ASP A 119 19.464 14.392 23.219 1.00 13.22 O ATOM 1875 HA ASP A 119 19.438 11.547 25.711 1.00 0.00 H ATOM 1876 HB2 ASP A 119 20.322 14.403 25.542 1.00 0.00 H ATOM 1877 HB3 ASP A 119 21.404 13.135 24.920 1.00 0.00 H ATOM 1878 H ASP A 119 18.754 14.085 27.071 1.00 0.00 H ATOM 1879 N PRO A 120 21.595 10.869 26.877 1.00 18.89 N ATOM 1880 CA PRO A 120 22.717 10.429 27.707 1.00 19.21 C ATOM 1881 C PRO A 120 23.904 11.392 27.630 1.00 19.31 C ATOM 1882 O PRO A 120 24.249 11.902 26.556 1.00 14.46 O ATOM 1883 CB PRO A 120 23.062 9.046 27.153 1.00 20.90 C ATOM 1884 CG PRO A 120 22.449 9.002 25.791 1.00 21.28 C ATOM 1885 CD PRO A 120 21.221 9.860 25.874 1.00 21.23 C ATOM 1886 HA PRO A 120 22.463 10.401 28.767 1.00 0.00 H ATOM 1887 HD3 PRO A 120 21.000 10.324 24.913 1.00 0.00 H ATOM 1888 HD2 PRO A 120 20.358 9.280 26.203 1.00 0.00 H ATOM 1889 HG3 PRO A 120 22.182 7.979 25.526 1.00 0.00 H ATOM 1890 HG2 PRO A 120 23.141 9.399 25.049 1.00 0.00 H ATOM 1891 HB2 PRO A 120 24.143 8.918 27.090 1.00 0.00 H ATOM 1892 HB3 PRO A 120 22.642 8.265 27.787 1.00 0.00 H ATOM 1893 N PRO A 121 24.548 11.641 28.781 1.00 18.67 N ATOM 1894 CA PRO A 121 25.703 12.538 28.889 1.00 17.18 C ATOM 1895 C PRO A 121 26.915 12.083 28.086 1.00 16.99 C ATOM 1896 O PRO A 121 27.813 12.878 27.808 1.00 17.39 O ATOM 1897 CB PRO A 121 25.985 12.587 30.386 1.00 19.16 C ATOM 1898 CG PRO A 121 25.349 11.356 30.946 1.00 20.68 C ATOM 1899 CD PRO A 121 24.170 11.053 30.077 1.00 19.67 C ATOM 1900 HA PRO A 121 25.488 13.518 28.463 1.00 0.00 H ATOM 1901 HD3 PRO A 121 24.015 9.978 29.989 1.00 0.00 H ATOM 1902 HD2 PRO A 121 23.265 11.518 30.469 1.00 0.00 H ATOM 1903 HG3 PRO A 121 25.025 11.532 31.972 1.00 0.00 H ATOM 1904 HG2 PRO A 121 26.055 10.525 30.927 1.00 0.00 H ATOM 1905 HB2 PRO A 121 27.059 12.582 30.573 1.00 0.00 H ATOM 1906 HB3 PRO A 121 25.545 13.480 30.829 1.00 0.00 H ATOM 1907 N GLN A 122 26.941 10.805 27.716 1.00 17.89 N ATOM 1908 CA GLN A 122 28.048 10.259 26.926 1.00 18.27 C ATOM 1909 C GLN A 122 28.310 11.075 25.656 1.00 16.85 C ATOM 1910 O GLN A 122 29.461 11.281 25.267 1.00 15.32 O ATOM 1911 CB GLN A 122 27.756 8.807 26.530 1.00 19.73 C ATOM 1912 CG GLN A 122 28.783 8.192 25.576 1.00 20.59 C ATOM 1913 CD GLN A 122 28.366 6.820 25.061 1.00 24.10 C ATOM 1914 OE1 GLN A 122 27.224 6.387 25.256 1.00 24.28 O ATOM 1915 NE2 GLN A 122 29.292 6.127 24.399 1.00 24.98 N ATOM 1916 HA GLN A 122 28.937 10.307 27.555 1.00 0.00 H ATOM 1917 HB2 GLN A 122 27.730 8.204 27.438 1.00 0.00 H ATOM 1918 HB3 GLN A 122 26.780 8.775 26.047 1.00 0.00 H ATOM 1919 HG2 GLN A 122 28.910 8.860 24.724 1.00 0.00 H ATOM 1920 HG3 GLN A 122 29.732 8.092 26.103 1.00 0.00 H ATOM 1921 HE22 GLN A 122 30.241 6.529 24.258 1.00 0.00 H ATOM 1922 HE21 GLN A 122 29.066 5.184 24.024 1.00 0.00 H ATOM 1923 H GLN A 122 26.158 10.179 27.994 1.00 0.00 H ATOM 1924 N TYR A 123 27.237 11.528 25.009 1.00 15.24 N ATOM 1925 CA TYR A 123 27.359 12.300 23.782 1.00 13.24 C ATOM 1926 C TYR A 123 26.863 13.740 23.886 1.00 12.40 C ATOM 1927 O TYR A 123 25.685 14.016 23.664 1.00 12.60 O ATOM 1928 CB TYR A 123 26.608 11.600 22.649 1.00 14.83 C ATOM 1929 CG TYR A 123 27.207 10.277 22.210 1.00 14.46 C ATOM 1930 CD1 TYR A 123 28.460 10.220 21.611 1.00 13.49 C ATOM 1931 CD2 TYR A 123 26.494 9.086 22.353 1.00 15.05 C ATOM 1932 CE1 TYR A 123 28.994 9.013 21.154 1.00 14.15 C ATOM 1933 CE2 TYR A 123 27.025 7.870 21.897 1.00 13.88 C ATOM 1934 CZ TYR A 123 28.268 7.844 21.297 1.00 13.88 C ATOM 1935 OH TYR A 123 28.771 6.658 20.811 1.00 14.88 O ATOM 1936 HA TYR A 123 28.429 12.354 23.579 1.00 0.00 H ATOM 1937 HB3 TYR A 123 26.593 12.268 21.788 1.00 0.00 H ATOM 1938 HB2 TYR A 123 25.586 11.416 22.982 1.00 0.00 H ATOM 1939 HD2 TYR A 123 25.512 9.101 22.825 1.00 0.00 H ATOM 1940 HE2 TYR A 123 26.457 6.947 22.016 1.00 0.00 H ATOM 1941 HE1 TYR A 123 29.979 8.992 20.687 1.00 0.00 H ATOM 1942 HD1 TYR A 123 29.038 11.137 21.495 1.00 0.00 H ATOM 1943 HH TYR A 123 29.665 6.817 20.416 1.00 0.00 H ATOM 1944 H TYR A 123 26.291 11.325 25.390 1.00 0.00 H ATOM 1945 N PRO A 124 27.755 14.679 24.229 1.00 12.26 N ATOM 1946 CA PRO A 124 27.348 16.088 24.338 1.00 13.42 C ATOM 1947 C PRO A 124 26.730 16.675 23.059 1.00 13.34 C ATOM 1948 O PRO A 124 25.850 17.541 23.131 1.00 13.21 O ATOM 1949 CB PRO A 124 28.643 16.816 24.714 1.00 13.72 C ATOM 1950 CG PRO A 124 29.751 15.856 24.415 1.00 13.01 C ATOM 1951 CD PRO A 124 29.170 14.486 24.583 1.00 11.75 C ATOM 1952 HA PRO A 124 26.549 16.200 25.071 1.00 0.00 H ATOM 1953 HD3 PRO A 124 29.648 13.773 23.912 1.00 0.00 H ATOM 1954 HD2 PRO A 124 29.273 14.140 25.612 1.00 0.00 H ATOM 1955 HG3 PRO A 124 30.578 16.004 25.109 1.00 0.00 H ATOM 1956 HG2 PRO A 124 30.106 15.994 23.394 1.00 0.00 H ATOM 1957 HB2 PRO A 124 28.755 17.723 24.120 1.00 0.00 H ATOM 1958 HB3 PRO A 124 28.640 17.075 25.773 1.00 0.00 H ATOM 1959 N VAL A 125 27.207 16.216 21.901 1.00 12.49 N ATOM 1960 CA VAL A 125 26.723 16.691 20.595 1.00 11.05 C ATOM 1961 C VAL A 125 26.114 15.512 19.843 1.00 9.89 C ATOM 1962 O VAL A 125 26.729 14.462 19.713 1.00 10.44 O ATOM 1963 CB VAL A 125 27.880 17.299 19.756 1.00 11.84 C ATOM 1964 CG1 VAL A 125 27.373 17.709 18.377 1.00 9.74 C ATOM 1965 CG2 VAL A 125 28.490 18.482 20.503 1.00 9.89 C ATOM 1966 HA VAL A 125 25.977 17.470 20.756 1.00 0.00 H ATOM 1967 HB VAL A 125 28.658 16.550 19.612 1.00 0.00 H ATOM 1968 HG11 VAL A 125 26.980 16.833 17.861 1.00 0.00 H ATOM 1969 HG12 VAL A 125 26.583 18.452 18.488 1.00 0.00 H ATOM 1970 HG13 VAL A 125 28.195 18.133 17.800 1.00 0.00 H ATOM 1971 HG21 VAL A 125 27.724 19.240 20.667 1.00 0.00 H ATOM 1972 HG22 VAL A 125 28.879 18.142 21.463 1.00 0.00 H ATOM 1973 HG23 VAL A 125 29.301 18.905 19.910 1.00 0.00 H ATOM 1974 H VAL A 125 27.953 15.491 21.922 1.00 0.00 H ATOM 1975 N VAL A 126 24.905 15.692 19.338 1.00 11.29 N ATOM 1976 CA VAL A 126 24.212 14.596 18.665 1.00 12.15 C ATOM 1977 C VAL A 126 23.515 14.995 17.370 1.00 10.39 C ATOM 1978 O VAL A 126 23.139 16.141 17.188 1.00 9.56 O ATOM 1979 CB VAL A 126 23.132 13.972 19.607 1.00 12.94 C ATOM 1980 CG1 VAL A 126 23.791 13.232 20.757 1.00 10.40 C ATOM 1981 CG2 VAL A 126 22.215 15.069 20.155 1.00 12.23 C ATOM 1982 HA VAL A 126 24.997 13.882 18.416 1.00 0.00 H ATOM 1983 HB VAL A 126 22.539 13.264 19.029 1.00 0.00 H ATOM 1984 HG11 VAL A 126 24.419 12.434 20.361 1.00 0.00 H ATOM 1985 HG12 VAL A 126 24.403 13.927 21.332 1.00 0.00 H ATOM 1986 HG13 VAL A 126 23.022 12.805 21.401 1.00 0.00 H ATOM 1987 HG21 VAL A 126 22.809 15.789 20.718 1.00 0.00 H ATOM 1988 HG22 VAL A 126 21.719 15.574 19.326 1.00 0.00 H ATOM 1989 HG23 VAL A 126 21.467 14.622 20.810 1.00 0.00 H ATOM 1990 H VAL A 126 24.444 16.621 19.421 1.00 0.00 H ATOM 1991 N PRO A 127 23.358 14.039 16.439 1.00 11.11 N ATOM 1992 CA PRO A 127 22.680 14.360 15.177 1.00 10.55 C ATOM 1993 C PRO A 127 21.214 14.534 15.510 1.00 10.01 C ATOM 1994 O PRO A 127 20.681 13.795 16.335 1.00 10.23 O ATOM 1995 CB PRO A 127 22.921 13.126 14.308 1.00 10.33 C ATOM 1996 CG PRO A 127 23.161 12.010 15.292 1.00 10.48 C ATOM 1997 CD PRO A 127 23.831 12.644 16.488 1.00 9.07 C ATOM 1998 HA PRO A 127 23.026 15.262 14.671 1.00 0.00 H ATOM 1999 HD3 PRO A 127 23.521 12.158 17.413 1.00 0.00 H ATOM 2000 HD2 PRO A 127 24.916 12.596 16.400 1.00 0.00 H ATOM 2001 HG3 PRO A 127 23.809 11.251 14.853 1.00 0.00 H ATOM 2002 HG2 PRO A 127 22.216 11.554 15.585 1.00 0.00 H ATOM 2003 HB2 PRO A 127 22.049 12.914 13.690 1.00 0.00 H ATOM 2004 HB3 PRO A 127 23.792 13.269 13.668 1.00 0.00 H ATOM 2005 N VAL A 128 20.557 15.507 14.892 1.00 10.68 N ATOM 2006 CA VAL A 128 19.147 15.730 15.181 1.00 11.04 C ATOM 2007 C VAL A 128 18.289 15.736 13.921 1.00 11.87 C ATOM 2008 O VAL A 128 17.063 15.692 14.004 1.00 11.78 O ATOM 2009 CB VAL A 128 18.933 17.067 15.939 1.00 9.62 C ATOM 2010 CG1 VAL A 128 19.521 16.974 17.367 1.00 9.10 C ATOM 2011 CG2 VAL A 128 19.564 18.206 15.167 1.00 9.77 C ATOM 2012 HA VAL A 128 18.834 14.896 15.809 1.00 0.00 H ATOM 2013 HB VAL A 128 17.864 17.261 16.025 1.00 0.00 H ATOM 2014 HG11 VAL A 128 19.024 16.172 17.912 1.00 0.00 H ATOM 2015 HG12 VAL A 128 20.589 16.766 17.306 1.00 0.00 H ATOM 2016 HG13 VAL A 128 19.363 17.919 17.886 1.00 0.00 H ATOM 2017 HG21 VAL A 128 20.633 18.021 15.058 1.00 0.00 H ATOM 2018 HG22 VAL A 128 19.104 18.274 14.181 1.00 0.00 H ATOM 2019 HG23 VAL A 128 19.408 19.140 15.707 1.00 0.00 H ATOM 2020 H VAL A 128 21.048 16.110 14.202 1.00 0.00 H ATOM 2021 N HIS A 129 18.929 15.749 12.754 1.00 12.00 N ATOM 2022 CA HIS A 129 18.187 15.793 11.503 1.00 13.08 C ATOM 2023 C HIS A 129 19.072 15.360 10.339 1.00 13.99 C ATOM 2024 O HIS A 129 20.258 15.678 10.303 1.00 14.36 O ATOM 2025 CB HIS A 129 17.658 17.233 11.323 1.00 15.83 C ATOM 2026 CG HIS A 129 17.459 17.663 9.902 1.00 24.02 C ATOM 2027 ND1 HIS A 129 16.286 17.439 9.211 1.00 25.94 N ATOM 2028 CD2 HIS A 129 18.257 18.370 9.063 1.00 27.15 C ATOM 2029 CE1 HIS A 129 16.369 17.986 8.010 1.00 26.00 C ATOM 2030 NE2 HIS A 129 17.554 18.559 7.895 1.00 27.48 N ATOM 2031 HA HIS A 129 17.347 15.099 11.526 1.00 0.00 H ATOM 2032 HB2 HIS A 129 16.699 17.308 11.836 1.00 0.00 H ATOM 2033 HB3 HIS A 129 18.371 17.915 11.786 1.00 0.00 H ATOM 2034 HD2 HIS A 129 19.266 18.723 9.274 1.00 0.00 H ATOM 2035 HE1 HIS A 129 15.592 17.967 7.245 1.00 0.00 H ATOM 2036 H HIS A 129 19.969 15.728 12.736 1.00 0.00 H ATOM 2037 N LEU A 130 18.506 14.600 9.406 1.00 14.05 N ATOM 2038 CA LEU A 130 19.243 14.169 8.225 1.00 14.53 C ATOM 2039 C LEU A 130 18.849 15.177 7.155 1.00 16.53 C ATOM 2040 O LEU A 130 17.750 15.116 6.611 1.00 16.18 O ATOM 2041 CB LEU A 130 18.829 12.760 7.800 1.00 12.94 C ATOM 2042 CG LEU A 130 19.527 12.245 6.525 1.00 12.32 C ATOM 2043 CD1 LEU A 130 21.026 12.520 6.605 1.00 10.80 C ATOM 2044 CD2 LEU A 130 19.286 10.740 6.365 1.00 13.62 C ATOM 2045 HA LEU A 130 20.318 14.131 8.402 1.00 0.00 H ATOM 2046 HB2 LEU A 130 19.062 12.076 8.616 1.00 0.00 H ATOM 2047 HB3 LEU A 130 17.753 12.760 7.623 1.00 0.00 H ATOM 2048 HG LEU A 130 19.112 12.766 5.662 1.00 0.00 H ATOM 2049 HD21 LEU A 130 19.688 10.215 7.231 1.00 0.00 H ATOM 2050 HD22 LEU A 130 18.215 10.551 6.289 1.00 0.00 H ATOM 2051 HD23 LEU A 130 19.784 10.388 5.461 1.00 0.00 H ATOM 2052 HD11 LEU A 130 21.193 13.593 6.698 1.00 0.00 H ATOM 2053 HD12 LEU A 130 21.442 12.010 7.474 1.00 0.00 H ATOM 2054 HD13 LEU A 130 21.510 12.153 5.700 1.00 0.00 H ATOM 2055 H LEU A 130 17.515 14.307 9.522 1.00 0.00 H ATOM 2056 N ASP A 131 19.738 16.117 6.858 1.00 17.71 N ATOM 2057 CA ASP A 131 19.418 17.153 5.883 1.00 20.82 C ATOM 2058 C ASP A 131 19.416 16.695 4.433 1.00 22.83 C ATOM 2059 O ASP A 131 18.499 17.011 3.665 1.00 23.35 O ATOM 2060 CB ASP A 131 20.372 18.344 6.045 1.00 20.58 C ATOM 2061 CG ASP A 131 19.777 19.642 5.514 1.00 22.71 C ATOM 2062 OD1 ASP A 131 20.105 20.025 4.371 1.00 22.69 O ATOM 2063 OD2 ASP A 131 18.980 20.280 6.238 1.00 23.49 O ATOM 2064 HA ASP A 131 18.390 17.441 6.103 1.00 0.00 H ATOM 2065 HB2 ASP A 131 20.598 18.470 7.104 1.00 0.00 H ATOM 2066 HB3 ASP A 131 21.292 18.132 5.501 1.00 0.00 H ATOM 2067 H ASP A 131 20.668 16.115 7.323 1.00 0.00 H ATOM 2068 N ARG A 132 20.435 15.938 4.056 1.00 24.67 N ATOM 2069 CA ARG A 132 20.531 15.484 2.686 1.00 26.85 C ATOM 2070 C ARG A 132 21.463 14.312 2.488 1.00 27.00 C ATOM 2071 O ARG A 132 22.314 13.999 3.325 1.00 25.58 O ATOM 2072 CB ARG A 132 21.005 16.632 1.797 1.00 28.71 C ATOM 2073 CG ARG A 132 19.957 17.138 0.830 1.00 34.58 C ATOM 2074 CD ARG A 132 20.592 18.040 -0.208 1.00 37.22 C ATOM 2075 NE ARG A 132 19.736 18.226 -1.374 1.00 40.80 N ATOM 2076 CZ ARG A 132 18.630 18.966 -1.380 1.00 45.21 C ATOM 2077 NH1 ARG A 132 18.232 19.597 -0.276 1.00 45.35 N ATOM 2078 NH2 ARG A 132 17.924 19.087 -2.501 1.00 47.65 N ATOM 2079 HA ARG A 132 19.531 15.148 2.414 1.00 0.00 H ATOM 2080 HB2 ARG A 132 21.307 17.460 2.439 1.00 0.00 H ATOM 2081 HB3 ARG A 132 21.864 16.287 1.222 1.00 0.00 H ATOM 2082 HG2 ARG A 132 19.488 16.290 0.331 1.00 0.00 H ATOM 2083 HG3 ARG A 132 19.201 17.698 1.380 1.00 0.00 H ATOM 2084 HD2 ARG A 132 21.534 17.596 -0.531 1.00 0.00 H ATOM 2085 HD3 ARG A 132 20.787 19.013 0.244 1.00 0.00 H ATOM 2086 HE ARG A 132 20.007 17.750 -2.258 1.00 0.00 H ATOM 2087 HH12 ARG A 132 17.366 20.173 -0.290 1.00 0.00 H ATOM 2088 HH11 ARG A 132 18.787 19.513 0.600 1.00 0.00 H ATOM 2089 HH22 ARG A 132 17.059 19.664 -2.511 1.00 0.00 H ATOM 2090 HH21 ARG A 132 18.237 18.604 -3.367 1.00 0.00 H ATOM 2091 H ARG A 132 21.166 15.670 4.745 1.00 0.00 H ATOM 2092 N ILE A 133 21.265 13.663 1.355 1.00 27.45 N ATOM 2093 CA ILE A 133 22.082 12.547 0.935 1.00 29.80 C ATOM 2094 C ILE A 133 22.480 13.030 -0.462 1.00 31.67 C ATOM 2095 O ILE A 133 21.619 13.335 -1.300 1.00 31.16 O ATOM 2096 CB ILE A 133 21.267 11.220 0.881 1.00 28.59 C ATOM 2097 CG1 ILE A 133 19.844 11.481 0.390 1.00 29.80 C ATOM 2098 CG2 ILE A 133 21.198 10.609 2.262 1.00 26.04 C ATOM 2099 CD1 ILE A 133 19.153 10.245 -0.150 1.00 31.71 C ATOM 2100 HA ILE A 133 22.916 12.309 1.596 1.00 0.00 H ATOM 2101 HB ILE A 133 21.767 10.540 0.191 1.00 0.00 H ATOM 2102 HG12 ILE A 133 19.257 11.868 1.223 1.00 0.00 H ATOM 2103 HG13 ILE A 133 19.884 12.228 -0.403 1.00 0.00 H ATOM 2104 HD11 ILE A 133 19.722 9.851 -0.992 1.00 0.00 H ATOM 2105 HD12 ILE A 133 19.094 9.491 0.635 1.00 0.00 H ATOM 2106 HD13 ILE A 133 18.148 10.507 -0.480 1.00 0.00 H ATOM 2107 HG21 ILE A 133 22.207 10.400 2.616 1.00 0.00 H ATOM 2108 HG22 ILE A 133 20.710 11.307 2.943 1.00 0.00 H ATOM 2109 HG23 ILE A 133 20.627 9.681 2.219 1.00 0.00 H ATOM 2110 H ILE A 133 20.486 13.969 0.737 1.00 0.00 H ATOM 2111 N ILE A 134 23.781 13.147 -0.693 1.00 32.82 N ATOM 2112 CA ILE A 134 24.269 13.634 -1.972 1.00 34.08 C ATOM 2113 C ILE A 134 25.018 12.565 -2.753 1.00 35.42 C ATOM 2114 O ILE A 134 24.844 12.542 -3.993 1.00 36.97 O ATOM 2115 CB ILE A 134 25.175 14.875 -1.771 1.00 33.98 C ATOM 2116 CG1 ILE A 134 26.199 14.615 -0.652 1.00 35.58 C ATOM 2117 CG2 ILE A 134 24.313 16.085 -1.441 1.00 32.67 C ATOM 2118 CD1 ILE A 134 25.822 15.171 0.737 1.00 33.21 C ATOM 2119 HA ILE A 134 23.394 13.914 -2.558 1.00 0.00 H ATOM 2120 OXT ILE A 134 25.749 11.763 -2.124 1.00 35.90 O ATOM 2121 HB ILE A 134 25.724 15.073 -2.692 1.00 0.00 H ATOM 2122 HG12 ILE A 134 26.328 13.537 -0.559 1.00 0.00 H ATOM 2123 HG13 ILE A 134 27.144 15.068 -0.950 1.00 0.00 H ATOM 2124 HD11 ILE A 134 25.703 16.253 0.674 1.00 0.00 H ATOM 2125 HD12 ILE A 134 24.886 14.720 1.066 1.00 0.00 H ATOM 2126 HD13 ILE A 134 26.612 14.932 1.449 1.00 0.00 H ATOM 2127 HG21 ILE A 134 23.619 16.270 -2.261 1.00 0.00 H ATOM 2128 HG22 ILE A 134 23.753 15.892 -0.526 1.00 0.00 H ATOM 2129 HG23 ILE A 134 24.952 16.957 -1.300 1.00 0.00 H ATOM 2130 H ILE A 134 24.460 12.887 0.051 1.00 0.00 H TER 2131 ILE A 134 HETATM 2132 O HOH 1 5.065 18.678 13.129 1.00 37.33 O HETATM 2133 O HOH 2 8.778 16.688 20.049 1.00 24.68 O HETATM 2134 O HOH 3 8.095 16.380 17.033 1.00 39.54 O HETATM 2135 O HOH 4 5.284 15.281 20.406 1.00 12.26 O HETATM 2136 O HOH 5 12.351 17.557 22.168 1.00 19.05 O HETATM 2137 O HOH 6 4.373 6.622 20.983 1.00 20.41 O HETATM 2138 O HOH 7 34.478 5.659 10.152 1.00 41.77 O HETATM 2139 O HOH 8 16.799 -3.758 15.377 1.00 13.92 O HETATM 2140 O HOH 9 20.779 -0.705 9.536 1.00 25.96 O HETATM 2141 O HOH 10 22.223 -3.032 1.792 1.00 30.76 O HETATM 2142 O HOH 11 16.371 5.706 19.582 1.00 16.12 O HETATM 2143 O HOH 12 19.146 7.377 24.850 1.00 29.40 O HETATM 2144 O HOH 13 14.004 11.465 25.760 1.00 28.70 O HETATM 2145 O HOH 14 15.818 9.465 26.871 1.00 27.47 O HETATM 2146 O HOH 15 15.813 21.026 24.057 1.00 48.86 O HETATM 2147 O HOH 16 15.396 12.511 12.545 1.00 15.75 O HETATM 2148 O HOH 17 30.693 2.872 5.251 1.00 38.01 O HETATM 2149 O HOH 18 32.175 7.998 9.100 1.00 18.61 O HETATM 2150 O HOH 19 32.103 7.046 7.065 1.00 19.12 O HETATM 2151 O HOH 20 21.227 -0.063 14.241 1.00 13.08 O HETATM 2152 O HOH 21 13.788 2.279 13.909 1.00 9.23 O HETATM 2153 O HOH 22 21.832 2.419 17.325 1.00 21.95 O HETATM 2154 O HOH 23 15.536 3.216 17.359 1.00 14.18 O HETATM 2155 O HOH 24 17.733 -1.519 13.999 1.00 14.73 O HETATM 2156 O HOH 25 18.715 -3.615 8.936 1.00 11.00 O HETATM 2157 O HOH 26 10.612 -3.836 12.313 1.00 24.33 O HETATM 2158 O HOH 27 13.166 -7.324 11.824 1.00 27.20 O HETATM 2159 O HOH 28 14.838 -5.664 14.538 1.00 15.27 O HETATM 2160 O HOH 29 32.918 20.577 5.424 1.00 29.89 O HETATM 2161 O HOH 30 12.406 -8.806 7.719 1.00 35.88 O HETATM 2162 O HOH 31 25.567 25.580 15.902 1.00 34.70 O HETATM 2163 O HOH 32 22.211 -7.601 3.013 1.00 15.61 O HETATM 2164 O HOH 33 19.862 -3.730 3.123 1.00 25.72 O HETATM 2165 O HOH 34 5.180 -0.118 6.309 1.00 13.64 O HETATM 2166 O HOH 35 34.834 6.432 7.947 1.00 41.84 O HETATM 2167 O HOH 36 12.822 0.574 11.540 1.00 11.97 O HETATM 2168 O HOH 37 7.809 -3.497 12.392 1.00 19.55 O HETATM 2169 O HOH 38 5.228 -6.695 11.503 1.00 53.69 O HETATM 2170 O HOH 39 3.704 1.333 8.265 1.00 17.43 O HETATM 2171 O HOH 40 2.052 1.090 16.538 1.00 43.61 O HETATM 2172 O HOH 41 6.294 -1.103 14.132 1.00 24.75 O HETATM 2173 O HOH 42 2.473 3.757 19.034 1.00 32.63 O HETATM 2174 O HOH 43 8.325 4.067 22.535 1.00 19.50 O HETATM 2175 O HOH 44 5.859 11.839 4.622 1.00 34.28 O HETATM 2176 O HOH 45 7.315 15.070 10.090 1.00 39.51 O HETATM 2177 O HOH 46 16.653 19.260 22.347 1.00 28.52 O HETATM 2178 O HOH 47 -0.647 7.608 5.878 1.00 32.46 O HETATM 2179 O HOH 48 1.076 9.082 3.261 1.00 25.70 O HETATM 2180 O HOH 49 12.892 12.552 6.834 1.00 36.85 O HETATM 2181 O HOH 50 8.177 11.841 3.288 1.00 27.45 O HETATM 2182 O HOH 51 15.055 10.545 5.128 1.00 13.62 O HETATM 2183 O HOH 52 16.997 11.480 2.405 1.00 35.97 O HETATM 2184 O HOH 53 29.042 2.861 7.292 1.00 23.44 O HETATM 2185 O HOH 54 27.652 -0.801 6.546 1.00 20.90 O HETATM 2186 O HOH 55 30.509 5.367 8.253 1.00 21.09 O HETATM 2187 O HOH 56 29.208 7.127 8.874 1.00 18.23 O HETATM 2188 O HOH 57 24.505 2.426 15.908 1.00 19.03 O HETATM 2189 O HOH 58 26.925 3.351 17.817 1.00 22.81 O HETATM 2190 O HOH 59 32.619 9.339 11.445 1.00 21.12 O HETATM 2191 O HOH 60 33.875 11.982 11.425 1.00 28.00 O HETATM 2192 O HOH 61 33.105 6.684 14.871 1.00 25.31 O HETATM 2193 O HOH 62 36.194 9.907 14.725 1.00 38.83 O HETATM 2194 O HOH 63 32.700 11.109 19.450 1.00 16.20 O HETATM 2195 O HOH 64 31.577 9.104 18.547 1.00 23.23 O HETATM 2196 O HOH 65 35.062 14.687 13.345 1.00 21.05 O HETATM 2197 O HOH 66 35.861 20.243 12.456 1.00 11.56 O HETATM 2198 O HOH 67 34.278 12.311 8.826 1.00 20.07 O HETATM 2199 O HOH 68 37.164 16.685 10.204 1.00 29.12 O HETATM 2200 O HOH 69 31.380 19.166 7.429 1.00 14.68 O HETATM 2201 O HOH 70 32.208 26.760 8.996 1.00 18.59 O HETATM 2202 O HOH 71 32.901 25.721 13.842 1.00 18.15 O HETATM 2203 O HOH 72 31.588 24.472 15.239 1.00 39.84 O HETATM 2204 O HOH 73 28.024 23.767 15.925 1.00 29.73 O HETATM 2205 O HOH 74 13.129 25.584 5.075 1.00 39.31 O HETATM 2206 O HOH 75 22.987 30.055 1.716 1.00 41.20 O HETATM 2207 O HOH 76 16.317 28.895 11.436 1.00 38.21 O HETATM 2208 O HOH 77 22.615 27.620 12.663 1.00 22.15 O HETATM 2209 O HOH 78 30.347 29.374 10.576 1.00 30.35 O HETATM 2210 O HOH 79 26.244 21.476 14.827 1.00 14.75 O HETATM 2211 O HOH 80 33.502 16.771 5.877 1.00 23.49 O HETATM 2212 O HOH 81 32.654 9.690 7.517 1.00 16.30 O HETATM 2213 O HOH 82 36.274 5.800 2.835 1.00 40.37 O HETATM 2214 O HOH 83 36.019 9.400 6.412 1.00 26.95 O HETATM 2215 O HOH 84 27.612 10.329 -3.633 1.00 38.57 O HETATM 2216 O HOH 85 33.618 8.026 -0.010 1.00 27.67 O HETATM 2217 O HOH 86 32.348 5.040 4.667 1.00 19.93 O HETATM 2218 O HOH 87 22.810 0.169 0.507 1.00 19.66 O HETATM 2219 O HOH 88 12.857 3.121 -2.704 1.00 13.50 O HETATM 2220 O HOH 89 8.250 8.359 -2.289 1.00 25.06 O HETATM 2221 O HOH 90 6.349 4.791 -5.172 1.00 26.09 O HETATM 2222 O HOH 91 -4.732 1.867 11.899 1.00 40.46 O HETATM 2223 O HOH 92 -0.167 -4.230 2.794 1.00 28.25 O HETATM 2224 O HOH 93 9.953 -3.128 1.418 1.00 19.77 O HETATM 2225 O HOH 94 12.623 -1.867 -4.248 1.00 16.46 O HETATM 2226 O HOH 95 14.178 5.120 -5.619 1.00 20.12 O HETATM 2227 O HOH 96 24.977 0.131 -1.052 1.00 27.63 O HETATM 2228 O HOH 97 25.053 4.580 -5.321 1.00 26.09 O HETATM 2229 O HOH 98 18.274 19.959 19.061 1.00 19.68 O HETATM 2230 O HOH 99 26.443 21.807 19.376 1.00 26.74 O HETATM 2231 O HOH 100 22.641 24.090 23.137 1.00 34.34 O HETATM 2232 O HOH 101 19.619 21.635 22.555 1.00 27.18 O HETATM 2233 O HOH 102 28.902 21.063 22.701 1.00 20.81 O HETATM 2234 O HOH 103 19.158 18.073 21.039 1.00 21.29 O HETATM 2235 O HOH 104 15.075 16.732 22.431 1.00 22.21 O HETATM 2236 O HOH 105 12.208 16.043 29.991 1.00 26.42 O HETATM 2237 O HOH 106 9.906 15.659 23.452 1.00 11.53 O HETATM 2238 O HOH 107 10.532 11.714 27.240 1.00 30.87 O HETATM 2239 O HOH 108 9.984 15.825 27.969 1.00 37.38 O HETATM 2240 O HOH 109 18.319 15.447 21.203 1.00 11.75 O HETATM 2241 O HOH 110 20.092 9.929 22.787 1.00 26.07 O HETATM 2242 O HOH 111 20.356 12.722 30.497 1.00 27.63 O HETATM 2243 O HOH 112 23.558 12.319 24.226 1.00 13.63 O HETATM 2244 O HOH 113 27.081 15.470 27.784 1.00 14.26 O HETATM 2245 O HOH 114 31.360 10.892 23.518 1.00 19.31 O HETATM 2246 O HOH 115 32.075 7.576 23.367 1.00 37.37 O HETATM 2247 O HOH 116 25.927 8.547 29.107 1.00 22.42 O HETATM 2248 O HOH 117 31.607 6.401 20.967 1.00 29.06 O HETATM 2249 O HOH 118 27.070 4.429 20.591 1.00 25.29 O HETATM 2250 O HOH 119 28.810 14.056 21.358 1.00 9.25 O HETATM 2251 O HOH 120 15.435 13.898 14.822 1.00 18.35 O HETATM 2252 O HOH 121 16.843 15.878 0.864 1.00 37.07 O HETATM 2253 O HOH 122 18.287 14.238 0.233 1.00 38.53 O HETATM 2254 O HOH 123 10.585 13.769 11.969 1.00 27.18 O HETATM 2255 P1 A A 3 10.096 17.755 12.385 1.00 0.20 P HETATM 2256 O1P A A 3 10.514 16.344 12.662 1.00 -0.55 O HETATM 2257 O2P A A 3 9.438 17.985 11.056 1.00 -0.55 O HETATM 2258 O3P A A 3 9.792 18.632 13.534 1.00 -0.55 O HETATM 2259 O3 A A 3 11.532 18.389 12.004 1.00 -0.27 O HETATM 2260 C3 A A 3 12.698 17.760 11.350 1.00 0.15 C HETATM 2261 C4 A A 3 13.774 17.313 12.394 1.00 0.12 C HETATM 2262 C5 A A 3 14.638 16.068 11.995 1.00 0.11 C HETATM 2263 O5 A A 3 13.926 15.158 11.117 1.00 -0.27 O HETATM 2264 P2 A A 3 14.439 14.632 9.639 1.00 0.20 P HETATM 2265 O4P A A 3 15.690 13.926 10.051 1.00 -0.55 O HETATM 2266 O5P A A 3 13.280 13.743 9.338 1.00 -0.55 O HETATM 2267 O6P A A 3 14.518 15.922 8.955 1.00 -0.55 O HETATM 2268 H1 A A 3 15.545 16.418 11.480 1.00 0.06 H HETATM 2269 H2 A A 3 14.921 15.527 12.910 1.00 0.06 H HETATM 2270 O4 A A 3 14.705 18.458 12.488 1.00 -0.34 O HETATM 2271 C1 A A 3 14.246 19.500 11.587 1.00 0.20 C HETATM 2272 C2 A A 3 13.486 18.719 10.493 1.00 0.14 C HETATM 2273 O2 A A 3 12.734 19.517 9.582 1.00 -0.38 O HETATM 2274 H6 A A 3 13.324 20.081 9.096 1.00 0.21 H HETATM 2275 H5 A A 3 14.205 18.152 9.884 1.00 0.07 H HETATM 2276 N9 A A 3 15.387 20.315 11.043 1.00 -0.19 N HETATM 2277 C8 A A 3 15.564 20.824 9.759 1.00 0.11 C HETATM 2278 N7 A A 3 16.674 21.513 9.574 1.00 -0.30 N HETATM 2279 C5 A A 3 17.300 21.478 10.811 1.00 0.10 C HETATM 2280 C6 A A 3 18.542 22.035 11.295 1.00 0.13 C HETATM 2281 N6 A A 3 19.354 22.743 10.524 1.00 -0.32 N HETATM 2282 H9 A A 3 20.230 23.122 10.910 1.00 0.18 H HETATM 2283 H10 A A 3 19.109 22.915 9.538 1.00 0.18 H HETATM 2284 N1 A A 3 18.897 21.815 12.635 1.00 -0.27 N HETATM 2285 C2 A A 3 18.065 21.078 13.461 1.00 0.05 C HETATM 2286 N3 A A 3 16.854 20.493 13.112 1.00 -0.27 N HETATM 2287 C4 A A 3 16.527 20.735 11.762 1.00 0.16 C HETATM 2288 H11 A A 3 18.392 20.944 14.486 1.00 0.10 H HETATM 2289 H8 A A 3 14.838 20.665 8.964 1.00 0.13 H HETATM 2290 H7 A A 3 13.557 20.178 12.111 1.00 0.10 H HETATM 2291 H3 A A 3 13.285 17.115 13.359 1.00 0.07 H HETATM 2292 H4 A A 3 12.349 16.904 10.754 1.00 0.07 H CONECT 1 2 17 18 19 CONECT 17 1 CONECT 18 1 CONECT 19 1 CONECT 392 391 1313 CONECT 623 622 1498 CONECT 906 905 1735 CONECT 996 995 1141 CONECT 1141 996 1140 CONECT 1313 392 1312 CONECT 1498 623 1497 CONECT 1735 906 1734 CONECT 2255 2256 2257 2258 2259 CONECT 2256 2255 CONECT 2257 2255 CONECT 2258 2255 CONECT 2259 2255 2260 CONECT 2260 2259 2261 2272 2292 CONECT 2261 2260 2262 2270 2291 CONECT 2262 2261 2263 2268 2269 CONECT 2263 2262 2264 CONECT 2264 2263 2265 2266 2267 CONECT 2265 2264 CONECT 2266 2264 CONECT 2267 2264 CONECT 2268 2262 CONECT 2269 2262 CONECT 2270 2261 2271 CONECT 2271 2270 2272 2276 2290 CONECT 2272 2260 2271 2273 2275 CONECT 2273 2272 2274 CONECT 2274 2273 CONECT 2275 2272 CONECT 2276 2271 2277 2287 CONECT 2277 2276 2278 2289 CONECT 2278 2277 2279 CONECT 2279 2278 2280 2287 CONECT 2280 2279 2281 2284 CONECT 2281 2280 2282 2283 CONECT 2282 2281 CONECT 2283 2281 CONECT 2284 2280 2285 CONECT 2285 2284 2286 2288 CONECT 2286 2285 2287 CONECT 2287 2276 2279 2286 CONECT 2288 2285 CONECT 2289 2277 CONECT 2290 2271 CONECT 2291 2261 CONECT 2292 2260 MASTER 0 0 0 0 0 0 0 0 2291 1 50 11 END
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Related entries of code: 1hi4
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
1hi3
RCSB PDB
PDBbind
135aa, >1HI3_1|Chain... at 100%
1hi5
RCSB PDB
PDBbind
135aa, >1HI5_1|Chain... at 100%
2bzz
RCSB PDB
PDBbind
135aa, >2BZZ_1|Chain... at 100%
2c02
RCSB PDB
PDBbind
135aa, >2C02_1|Chain... at 100%
5e13
RCSB PDB
PDBbind
161aa, >5E13_1|Chain... *
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
1o0f
RCSB PDB
PDBbind
A3P
1vkj
RCSB PDB
PDBbind
A3P
5mek
RCSB PDB
PDBbind
A3P
Entry Information
PDB ID
1hi4
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
ribonuclease 2
Ligand Name
A3P
EC.Number
E.C.3.1.27.5
Resolution
1.8(Å)
Affinity (Kd/Ki/IC50)
Ki=32uM
Release Year
2001
Protein/NA Sequence
Check fasta file
Primary Reference
J.Biol.Chem. v276 pp. 15009-17, 2001
Ligand Properties
Formula
C
1
0
H
1
7
N
5
O
1
0
P
2
Molecular Weight
429.217
Exact Mass
429.045
No. of atoms
44
No. of bonds
46
Polar Surface Area
266.1
LOGP Value
-4.97 (
Computed with XLOGP3
)
-2.04 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 10
No. of Rotatable Bonds: 5
No. of Nitrogen and Oxygen Atoms: 15
No. of Rings: 3
Canonical SMILES
O[C@@H]1[C@H](OP(O)(O)O)[C@H](O[C@H]1n1cnc2c1ncnc2N)COP(O)(O)O
InChI String
InChI=1S/C10H19N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-6(16)7(25-27(20,21)22)4(24-10)1-23-26(17,18)19/h2-4,6-7,10,16-22,26-27H,1H2,(H2,11,12,13)/t4-,6-,7-,10-/m1/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
P10153
Entrez Gene ID
NCBI Entrez Gene ID:
6036
ASD
Information of known allosteric effects of PDB entries
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