Browse entries in the PDBbind-CN Database
HEADER 1KAT_COMPLEX COMPND 1KAT_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 V 99 HIS HIS GLU VAL VAL LYS PHE MET ASP VAL TYR GLN ARG SEQRES 2 V 99 SER TYR CYS HIS PRO ILE GLU THR LEU VAL ASP ILE PHE SEQRES 3 V 99 GLN GLU TYR PRO ASP GLU ILE GLU TYR ILE PHE LYS PRO SEQRES 4 V 99 SER CYS VAL PRO LEU MET ARG CYS GLY GLY CYS CYS ASN SEQRES 5 V 99 ASP GLU GLY LEU GLU CYS VAL PRO THR GLU GLU SER ASN SEQRES 6 V 99 ILE THR MET GLN ILE MET ARG ILE LYS PRO HIS GLN GLY SEQRES 7 V 99 GLN HIS ILE GLY GLU MET SER PHE LEU GLN HIS ASN LYS SEQRES 8 V 99 CYS GLU CYS ARG PRO LYS LYS ASP SEQRES 1 W 99 HIS HIS GLU VAL VAL LYS PHE MET ASP VAL TYR GLN ARG SEQRES 2 W 99 SER TYR CYS HIS PRO ILE GLU THR LEU VAL ASP ILE PHE SEQRES 3 W 99 GLN GLU TYR PRO ASP GLU ILE GLU TYR ILE PHE LYS PRO SEQRES 4 W 99 SER CYS VAL PRO LEU MET ARG CYS GLY GLY CYS CYS ASN SEQRES 5 W 99 ASP GLU GLY LEU GLU CYS VAL PRO THR GLU GLU SER ASN SEQRES 6 W 99 ILE THR MET GLN ILE MET ARG ILE LYS PRO HIS GLN GLY SEQRES 7 W 99 GLN HIS ILE GLY GLU MET SER PHE LEU GLN HIS ASN LYS SEQRES 8 W 99 CYS GLU CYS ARG PRO LYS LYS ASP HET GLY A 199 304 SSBOND 1 CYS V 26 CYS V 68 SSBOND 2 CYS V 57 CYS V 102 SSBOND 3 CYS V 61 CYS V 104 SSBOND 4 CYS W 26 CYS W 68 SSBOND 5 CYS W 57 CYS W 102 SSBOND 6 CYS W 61 CYS W 104 SSBOND 7 CYS V 60 CYS W 51 SSBOND 8 CYS V 51 CYS W 60 ATOM 1 N HIS V 11 -25.299 4.036 13.784 1.00 0.00 N ATOM 2 CA HIS V 11 -24.330 5.135 13.531 1.00 0.00 C ATOM 3 C HIS V 11 -23.924 5.819 14.829 1.00 0.00 C ATOM 4 O HIS V 11 -24.715 5.902 15.770 1.00 0.00 O ATOM 5 CB HIS V 11 -24.979 6.149 12.586 1.00 0.00 C ATOM 6 CG HIS V 11 -26.252 6.729 13.120 1.00 0.00 C ATOM 7 ND1 HIS V 11 -26.323 7.971 13.720 1.00 0.00 N ATOM 8 CD2 HIS V 11 -27.511 6.229 13.147 1.00 0.00 C ATOM 9 CE1 HIS V 11 -27.568 8.206 14.094 1.00 0.00 C ATOM 10 NE2 HIS V 11 -28.308 7.166 13.756 1.00 0.00 N ATOM 11 HA HIS V 11 -23.429 4.720 13.080 1.00 0.00 H ATOM 12 HB2 HIS V 11 -24.274 6.962 12.414 1.00 0.00 H ATOM 13 HB3 HIS V 11 -25.195 5.651 11.641 1.00 0.00 H ATOM 14 HD2 HIS V 11 -27.831 5.263 12.758 1.00 0.00 H ATOM 15 HE1 HIS V 11 -27.924 9.106 14.596 1.00 0.00 H ATOM 16 HN3 HIS V 11 -26.151 4.424 14.236 1.00 0.00 H ATOM 17 HN2 HIS V 11 -24.864 3.329 14.411 1.00 0.00 H ATOM 18 HN1 HIS V 11 -25.557 3.589 12.881 1.00 0.00 H ATOM 19 N HIS V 12 -22.694 6.319 14.869 1.00 0.00 N ATOM 20 CA HIS V 12 -22.192 7.009 16.047 1.00 0.00 C ATOM 21 C HIS V 12 -22.589 8.494 15.992 1.00 0.00 C ATOM 22 O HIS V 12 -23.600 8.885 16.568 1.00 0.00 O ATOM 23 CB HIS V 12 -20.671 6.834 16.159 1.00 0.00 C ATOM 24 CG HIS V 12 -20.267 5.576 16.869 1.00 0.00 C ATOM 25 ND1 HIS V 12 -19.886 4.427 16.209 1.00 0.00 N ATOM 26 CD2 HIS V 12 -20.193 5.291 18.191 1.00 0.00 C ATOM 27 CE1 HIS V 12 -19.597 3.489 17.094 1.00 0.00 C ATOM 28 NE2 HIS V 12 -19.773 3.989 18.303 1.00 0.00 N ATOM 29 HA HIS V 12 -22.640 6.573 16.940 1.00 0.00 H ATOM 30 HB2 HIS V 12 -20.250 6.814 15.154 1.00 0.00 H ATOM 31 HB3 HIS V 12 -20.264 7.685 16.705 1.00 0.00 H ATOM 32 HD2 HIS V 12 -20.424 5.969 19.013 1.00 0.00 H ATOM 33 HE1 HIS V 12 -19.269 2.475 16.865 1.00 0.00 H ATOM 34 H HIS V 12 -22.076 6.215 14.039 1.00 0.00 H ATOM 35 N GLU V 13 -21.805 9.310 15.278 1.00 39.25 N ATOM 36 CA GLU V 13 -22.086 10.748 15.125 1.00 36.85 C ATOM 37 C GLU V 13 -20.920 11.428 14.413 1.00 35.98 C ATOM 38 O GLU V 13 -19.940 10.775 14.058 1.00 37.72 O ATOM 39 CB GLU V 13 -22.354 11.448 16.474 1.00 40.98 C ATOM 40 CG GLU V 13 -21.495 10.953 17.626 1.00 52.61 C ATOM 41 CD GLU V 13 -21.640 11.810 18.866 1.00 68.32 C ATOM 42 OE1 GLU V 13 -22.771 12.264 19.145 1.00 74.53 O ATOM 43 OE2 GLU V 13 -20.627 12.027 19.562 1.00 72.77 O ATOM 44 HA GLU V 13 -22.995 10.838 14.530 1.00 0.00 H ATOM 45 HB2 GLU V 13 -22.170 12.515 16.346 1.00 0.00 H ATOM 46 HB3 GLU V 13 -23.400 11.290 16.737 1.00 0.00 H ATOM 47 HG2 GLU V 13 -21.790 9.932 17.869 1.00 0.00 H ATOM 48 HG3 GLU V 13 -20.451 10.963 17.314 1.00 0.00 H ATOM 49 H GLU V 13 -20.964 8.913 14.813 1.00 0.00 H ATOM 50 N VAL V 14 -21.032 12.738 14.198 1.00 31.23 N ATOM 51 CA VAL V 14 -19.983 13.502 13.515 1.00 28.23 C ATOM 52 C VAL V 14 -18.647 13.406 14.257 1.00 27.93 C ATOM 53 O VAL V 14 -18.529 13.838 15.405 1.00 28.07 O ATOM 54 CB VAL V 14 -20.368 14.995 13.365 1.00 29.48 C ATOM 55 CG1 VAL V 14 -19.389 15.716 12.450 1.00 22.12 C ATOM 56 CG2 VAL V 14 -21.792 15.144 12.838 1.00 31.96 C ATOM 57 HA VAL V 14 -19.877 13.061 12.524 1.00 0.00 H ATOM 58 HB VAL V 14 -20.320 15.451 14.354 1.00 0.00 H ATOM 59 HG11 VAL V 14 -18.386 15.652 12.871 1.00 0.00 H ATOM 60 HG12 VAL V 14 -19.402 15.248 11.465 1.00 0.00 H ATOM 61 HG13 VAL V 14 -19.681 16.762 12.361 1.00 0.00 H ATOM 62 HG21 VAL V 14 -21.869 14.663 11.863 1.00 0.00 H ATOM 63 HG22 VAL V 14 -22.487 14.672 13.533 1.00 0.00 H ATOM 64 HG23 VAL V 14 -22.034 16.203 12.743 1.00 0.00 H ATOM 65 H VAL V 14 -21.887 13.233 14.524 1.00 0.00 H ATOM 66 N VAL V 15 -17.642 12.842 13.590 1.00 23.48 N ATOM 67 CA VAL V 15 -16.312 12.695 14.181 1.00 20.20 C ATOM 68 C VAL V 15 -15.606 14.045 14.262 1.00 23.59 C ATOM 69 O VAL V 15 -15.881 14.946 13.469 1.00 21.68 O ATOM 70 CB VAL V 15 -15.431 11.711 13.371 1.00 18.05 C ATOM 71 CG1 VAL V 15 -14.136 11.402 14.114 1.00 17.78 C ATOM 72 CG2 VAL V 15 -16.188 10.425 13.067 1.00 24.83 C ATOM 73 HA VAL V 15 -16.452 12.293 15.184 1.00 0.00 H ATOM 74 HB VAL V 15 -15.179 12.192 12.426 1.00 0.00 H ATOM 75 HG11 VAL V 15 -13.579 12.326 14.270 1.00 0.00 H ATOM 76 HG12 VAL V 15 -14.371 10.951 15.078 1.00 0.00 H ATOM 77 HG13 VAL V 15 -13.536 10.709 13.524 1.00 0.00 H ATOM 78 HG21 VAL V 15 -16.479 9.946 14.002 1.00 0.00 H ATOM 79 HG22 VAL V 15 -17.079 10.659 12.484 1.00 0.00 H ATOM 80 HG23 VAL V 15 -15.546 9.753 12.498 1.00 0.00 H ATOM 81 H VAL V 15 -17.807 12.497 12.623 1.00 0.00 H ATOM 82 N LYS V 16 -14.699 14.180 15.225 1.00 21.21 N ATOM 83 CA LYS V 16 -13.955 15.424 15.408 1.00 21.98 C ATOM 84 C LYS V 16 -12.920 15.608 14.297 1.00 20.97 C ATOM 85 O LYS V 16 -12.218 14.664 13.932 1.00 18.49 O ATOM 86 CB LYS V 16 -13.276 15.434 16.779 1.00 27.51 C ATOM 87 CG LYS V 16 -14.221 15.802 17.911 1.00 31.73 C ATOM 88 CD LYS V 16 -13.660 15.403 19.267 1.00 39.99 C ATOM 89 CE LYS V 16 -14.165 14.035 19.705 1.00 44.14 C ATOM 90 NZ LYS V 16 -13.334 12.927 19.152 1.00 39.75 N ATOM 91 HA LYS V 16 -14.657 16.256 15.357 1.00 0.00 H ATOM 92 HB2 LYS V 16 -12.872 14.440 16.973 1.00 0.00 H ATOM 93 HB3 LYS V 16 -12.462 16.158 16.758 1.00 0.00 H ATOM 94 HG2 LYS V 16 -14.383 16.880 17.899 1.00 0.00 H ATOM 95 HG3 LYS V 16 -15.172 15.291 17.758 1.00 0.00 H ATOM 96 HD2 LYS V 16 -12.572 15.375 19.205 1.00 0.00 H ATOM 97 HD3 LYS V 16 -13.962 16.145 20.007 1.00 0.00 H ATOM 98 HE2 LYS V 16 -15.191 13.912 19.359 1.00 0.00 H ATOM 99 HE3 LYS V 16 -14.141 13.983 20.794 1.00 0.00 H ATOM 100 HZ1 LYS V 16 -13.356 12.964 18.113 1.00 0.00 H ATOM 101 HZ2 LYS V 16 -12.354 13.032 19.483 1.00 0.00 H ATOM 102 HZ3 LYS V 16 -13.714 12.015 19.476 1.00 0.00 H ATOM 103 H LYS V 16 -14.515 13.380 15.864 1.00 0.00 H ATOM 104 N PHE V 17 -12.846 16.825 13.755 1.00 16.83 N ATOM 105 CA PHE V 17 -11.916 17.154 12.666 1.00 19.34 C ATOM 106 C PHE V 17 -10.464 16.788 13.007 1.00 19.03 C ATOM 107 O PHE V 17 -9.801 16.076 12.252 1.00 17.02 O ATOM 108 CB PHE V 17 -12.017 18.650 12.336 1.00 20.45 C ATOM 109 CG PHE V 17 -11.176 19.079 11.167 1.00 15.56 C ATOM 110 CD1 PHE V 17 -11.638 18.930 9.868 1.00 16.77 C ATOM 111 CD2 PHE V 17 -9.924 19.639 11.367 1.00 18.99 C ATOM 112 CE1 PHE V 17 -10.867 19.336 8.793 1.00 14.17 C ATOM 113 CE2 PHE V 17 -9.150 20.044 10.296 1.00 23.93 C ATOM 114 CZ PHE V 17 -9.621 19.891 9.008 1.00 18.97 C ATOM 115 HA PHE V 17 -12.202 16.560 11.798 1.00 0.00 H ATOM 116 HB2 PHE V 17 -13.058 18.882 12.112 1.00 0.00 H ATOM 117 HB3 PHE V 17 -11.700 19.216 13.212 1.00 0.00 H ATOM 118 HD2 PHE V 17 -9.545 19.762 12.382 1.00 0.00 H ATOM 119 HE2 PHE V 17 -8.168 20.484 10.469 1.00 0.00 H ATOM 120 HZ PHE V 17 -9.011 20.208 8.162 1.00 0.00 H ATOM 121 HE1 PHE V 17 -11.243 19.218 7.777 1.00 0.00 H ATOM 122 HD1 PHE V 17 -12.619 18.488 9.692 1.00 0.00 H ATOM 123 H PHE V 17 -13.472 17.571 14.118 1.00 0.00 H ATOM 124 N MET V 18 -9.975 17.289 14.142 1.00 20.51 N ATOM 125 CA MET V 18 -8.599 17.027 14.583 1.00 19.57 C ATOM 126 C MET V 18 -8.292 15.520 14.669 1.00 17.54 C ATOM 127 O MET V 18 -7.131 15.112 14.588 1.00 18.06 O ATOM 128 CB MET V 18 -8.359 17.710 15.943 1.00 22.25 C ATOM 129 CG MET V 18 -7.520 18.973 15.845 1.00 28.38 C ATOM 130 SD MET V 18 -5.785 18.632 15.491 1.00 33.32 S ATOM 131 CE MET V 18 -5.406 19.961 14.353 1.00 28.65 C ATOM 132 HA MET V 18 -7.920 17.443 13.838 1.00 0.00 H ATOM 133 HB2 MET V 18 -9.326 17.970 16.375 1.00 0.00 H ATOM 134 HB3 MET V 18 -7.847 17.005 16.598 1.00 0.00 H ATOM 135 HG2 MET V 18 -7.584 19.509 16.792 1.00 0.00 H ATOM 136 HG3 MET V 18 -7.922 19.598 15.048 1.00 0.00 H ATOM 137 HE1 MET V 18 -6.053 19.885 13.479 1.00 0.00 H ATOM 138 HE2 MET V 18 -5.571 20.919 14.847 1.00 0.00 H ATOM 139 HE3 MET V 18 -4.364 19.886 14.043 1.00 0.00 H ATOM 140 H MET V 18 -10.588 17.885 14.734 1.00 0.00 H ATOM 141 N ASP V 19 -9.329 14.700 14.849 1.00 19.73 N ATOM 142 CA ASP V 19 -9.151 13.253 14.963 1.00 19.98 C ATOM 143 C ASP V 19 -9.080 12.583 13.592 1.00 17.84 C ATOM 144 O ASP V 19 -8.369 11.594 13.415 1.00 18.61 O ATOM 145 CB ASP V 19 -10.296 12.648 15.776 1.00 21.13 C ATOM 146 CG ASP V 19 -10.123 12.871 17.265 1.00 31.76 C ATOM 147 OD1 ASP V 19 -9.060 12.496 17.803 1.00 36.40 O ATOM 148 OD2 ASP V 19 -11.050 13.423 17.895 1.00 40.49 O ATOM 149 HA ASP V 19 -8.204 13.075 15.473 1.00 0.00 H ATOM 150 HB2 ASP V 19 -11.232 13.107 15.459 1.00 0.00 H ATOM 151 HB3 ASP V 19 -10.335 11.576 15.584 1.00 0.00 H ATOM 152 H ASP V 19 -10.287 15.100 14.910 1.00 0.00 H ATOM 153 N VAL V 20 -9.826 13.117 12.625 1.00 15.39 N ATOM 154 CA VAL V 20 -9.845 12.553 11.275 1.00 15.59 C ATOM 155 C VAL V 20 -8.495 12.729 10.585 1.00 15.95 C ATOM 156 O VAL V 20 -8.050 11.856 9.839 1.00 15.11 O ATOM 157 CB VAL V 20 -10.939 13.201 10.389 1.00 15.70 C ATOM 158 CG1 VAL V 20 -11.126 12.407 9.106 1.00 17.37 C ATOM 159 CG2 VAL V 20 -12.261 13.315 11.133 1.00 20.97 C ATOM 160 HA VAL V 20 -10.066 11.492 11.392 1.00 0.00 H ATOM 161 HB VAL V 20 -10.606 14.208 10.137 1.00 0.00 H ATOM 162 HG11 VAL V 20 -10.187 12.387 8.552 1.00 0.00 H ATOM 163 HG12 VAL V 20 -11.426 11.388 9.351 1.00 0.00 H ATOM 164 HG13 VAL V 20 -11.898 12.878 8.498 1.00 0.00 H ATOM 165 HG21 VAL V 20 -12.598 12.321 11.427 1.00 0.00 H ATOM 166 HG22 VAL V 20 -12.125 13.932 12.021 1.00 0.00 H ATOM 167 HG23 VAL V 20 -13.005 13.774 10.481 1.00 0.00 H ATOM 168 H VAL V 20 -10.408 13.953 12.835 1.00 0.00 H ATOM 169 N TYR V 21 -7.854 13.865 10.833 1.00 15.82 N ATOM 170 CA TYR V 21 -6.559 14.167 10.230 1.00 16.35 C ATOM 171 C TYR V 21 -5.424 13.421 10.938 1.00 17.15 C ATOM 172 O TYR V 21 -4.558 12.832 10.290 1.00 17.55 O ATOM 173 CB TYR V 21 -6.309 15.683 10.278 1.00 14.90 C ATOM 174 CG TYR V 21 -4.994 16.117 9.662 1.00 17.98 C ATOM 175 CD1 TYR V 21 -3.819 16.099 10.404 1.00 19.57 C ATOM 176 CD2 TYR V 21 -4.929 16.549 8.342 1.00 18.30 C ATOM 177 CE1 TYR V 21 -2.618 16.494 9.849 1.00 19.38 C ATOM 178 CE2 TYR V 21 -3.730 16.947 7.780 1.00 20.04 C ATOM 179 CZ TYR V 21 -2.578 16.917 8.539 1.00 20.14 C ATOM 180 OH TYR V 21 -1.383 17.313 7.983 1.00 24.48 O ATOM 181 HA TYR V 21 -6.578 13.833 9.193 1.00 0.00 H ATOM 182 HB3 TYR V 21 -6.318 15.998 11.321 1.00 0.00 H ATOM 183 HB2 TYR V 21 -7.118 16.180 9.742 1.00 0.00 H ATOM 184 HD2 TYR V 21 -5.838 16.574 7.741 1.00 0.00 H ATOM 185 HE2 TYR V 21 -3.695 17.282 6.744 1.00 0.00 H ATOM 186 HE1 TYR V 21 -1.706 16.471 10.445 1.00 0.00 H ATOM 187 HD1 TYR V 21 -3.846 15.767 11.442 1.00 0.00 H ATOM 188 HH TYR V 21 -1.175 16.737 7.205 1.00 0.00 H ATOM 189 H TYR V 21 -8.287 14.559 11.475 1.00 0.00 H ATOM 190 N GLN V 22 -5.425 13.465 12.267 1.00 21.25 N ATOM 191 CA GLN V 22 -4.385 12.811 13.058 1.00 21.83 C ATOM 192 C GLN V 22 -4.359 11.300 12.840 1.00 21.26 C ATOM 193 O GLN V 22 -3.299 10.678 12.903 1.00 21.66 O ATOM 194 CB GLN V 22 -4.591 13.110 14.544 1.00 20.12 C ATOM 195 CG GLN V 22 -3.306 13.039 15.352 1.00 29.07 C ATOM 196 CD GLN V 22 -3.513 12.466 16.743 1.00 35.92 C ATOM 197 OE1 GLN V 22 -3.091 13.057 17.736 1.00 41.94 O ATOM 198 NE2 GLN V 22 -4.157 11.306 16.822 1.00 32.99 N ATOM 199 HA GLN V 22 -3.427 13.211 12.726 1.00 0.00 H ATOM 200 HB2 GLN V 22 -5.007 14.113 14.642 1.00 0.00 H ATOM 201 HB3 GLN V 22 -5.296 12.384 14.949 1.00 0.00 H ATOM 202 HG2 GLN V 22 -2.594 12.409 14.819 1.00 0.00 H ATOM 203 HG3 GLN V 22 -2.899 14.046 15.447 1.00 0.00 H ATOM 204 HE22 GLN V 22 -4.497 10.840 15.957 1.00 0.00 H ATOM 205 HE21 GLN V 22 -4.321 10.864 17.749 1.00 0.00 H ATOM 206 H GLN V 22 -6.186 13.978 12.756 1.00 0.00 H ATOM 207 N ARG V 23 -5.531 10.710 12.607 1.00 19.65 N ATOM 208 CA ARG V 23 -5.635 9.265 12.409 1.00 18.18 C ATOM 209 C ARG V 23 -5.551 8.859 10.931 1.00 18.60 C ATOM 210 O ARG V 23 -5.295 7.692 10.628 1.00 17.54 O ATOM 211 CB ARG V 23 -6.942 8.757 13.017 1.00 15.72 C ATOM 212 CG ARG V 23 -6.983 8.891 14.530 1.00 20.43 C ATOM 213 CD ARG V 23 -8.407 8.852 15.070 1.00 20.55 C ATOM 214 NE ARG V 23 -8.444 8.941 16.534 1.00 26.44 N ATOM 215 CZ ARG V 23 -7.989 7.995 17.366 1.00 33.47 C ATOM 216 NH1 ARG V 23 -7.501 6.846 16.902 1.00 34.04 N ATOM 217 NH2 ARG V 23 -8.045 8.188 18.674 1.00 31.59 N ATOM 218 HA ARG V 23 -4.783 8.808 12.911 1.00 0.00 H ATOM 219 HB2 ARG V 23 -7.768 9.329 12.595 1.00 0.00 H ATOM 220 HB3 ARG V 23 -7.061 7.705 12.758 1.00 0.00 H ATOM 221 HG2 ARG V 23 -6.417 8.071 14.971 1.00 0.00 H ATOM 222 HG3 ARG V 23 -6.526 9.839 14.812 1.00 0.00 H ATOM 223 HD2 ARG V 23 -8.875 7.917 14.762 1.00 0.00 H ATOM 224 HD3 ARG V 23 -8.965 9.690 14.652 1.00 0.00 H ATOM 225 HE ARG V 23 -8.852 9.799 16.956 1.00 0.00 H ATOM 226 HH12 ARG V 23 -7.152 6.124 17.564 1.00 0.00 H ATOM 227 HH11 ARG V 23 -7.468 6.671 15.877 1.00 0.00 H ATOM 228 HH22 ARG V 23 -7.693 7.456 19.323 1.00 0.00 H ATOM 229 HH21 ARG V 23 -8.441 9.072 19.053 1.00 0.00 H ATOM 230 H ARG V 23 -6.392 11.291 12.565 1.00 0.00 H ATOM 231 N SER V 24 -5.775 9.806 10.013 1.00 17.48 N ATOM 232 CA SER V 24 -5.729 9.505 8.582 1.00 16.14 C ATOM 233 C SER V 24 -4.368 9.845 7.959 1.00 17.00 C ATOM 234 O SER V 24 -4.001 9.282 6.929 1.00 15.84 O ATOM 235 CB SER V 24 -6.831 10.273 7.852 1.00 18.15 C ATOM 236 OG SER V 24 -6.529 11.656 7.790 1.00 21.05 O ATOM 237 HA SER V 24 -5.884 8.432 8.473 1.00 0.00 H ATOM 238 HB2 SER V 24 -7.773 10.137 8.383 1.00 0.00 H ATOM 239 HB3 SER V 24 -6.927 9.883 6.839 1.00 0.00 H ATOM 240 HG SER V 24 -6.445 12.016 8.708 1.00 0.00 H ATOM 241 H SER V 24 -5.986 10.776 10.323 1.00 0.00 H ATOM 242 N TYR V 25 -3.632 10.775 8.572 1.00 16.27 N ATOM 243 CA TYR V 25 -2.316 11.194 8.060 1.00 15.57 C ATOM 244 C TYR V 25 -1.365 10.003 7.864 1.00 17.47 C ATOM 245 O TYR V 25 -1.283 9.116 8.712 1.00 18.54 O ATOM 246 CB TYR V 25 -1.697 12.221 9.015 1.00 17.47 C ATOM 247 CG TYR V 25 -0.445 12.898 8.489 1.00 19.96 C ATOM 248 CD1 TYR V 25 -0.339 13.294 7.158 1.00 23.64 C ATOM 249 CD2 TYR V 25 0.629 13.147 9.333 1.00 26.02 C ATOM 250 CE1 TYR V 25 0.804 13.916 6.688 1.00 26.28 C ATOM 251 CE2 TYR V 25 1.773 13.768 8.870 1.00 26.06 C ATOM 252 CZ TYR V 25 1.856 14.151 7.549 1.00 28.77 C ATOM 253 OH TYR V 25 2.995 14.770 7.085 1.00 29.63 O ATOM 254 HA TYR V 25 -2.466 11.647 7.080 1.00 0.00 H ATOM 255 HB3 TYR V 25 -1.443 11.712 9.945 1.00 0.00 H ATOM 256 HB2 TYR V 25 -2.442 12.991 9.216 1.00 0.00 H ATOM 257 HD2 TYR V 25 0.569 12.847 10.379 1.00 0.00 H ATOM 258 HE2 TYR V 25 2.607 13.954 9.547 1.00 0.00 H ATOM 259 HE1 TYR V 25 0.873 14.219 5.643 1.00 0.00 H ATOM 260 HD1 TYR V 25 -1.169 13.111 6.476 1.00 0.00 H ATOM 261 HH TYR V 25 2.888 14.976 6.123 1.00 0.00 H ATOM 262 H TYR V 25 -3.999 11.218 9.438 1.00 0.00 H ATOM 263 N CYS V 26 -0.654 10.002 6.723 1.00 18.76 N ATOM 264 CA CYS V 26 0.306 8.935 6.350 1.00 19.28 C ATOM 265 C CYS V 26 1.149 8.427 7.536 1.00 20.07 C ATOM 266 O CYS V 26 2.105 9.079 7.963 1.00 21.15 O ATOM 267 CB CYS V 26 1.228 9.459 5.240 1.00 21.88 C ATOM 268 SG CYS V 26 2.439 8.247 4.602 1.00 24.02 S ATOM 269 HA CYS V 26 -0.277 8.082 6.002 1.00 0.00 H ATOM 270 HB2 CYS V 26 1.780 10.313 5.634 1.00 0.00 H ATOM 271 HB3 CYS V 26 0.604 9.784 4.407 1.00 0.00 H ATOM 272 H CYS V 26 -0.785 10.796 6.064 1.00 0.00 H ATOM 273 N HIS V 27 0.787 7.251 8.046 1.00 15.69 N ATOM 274 CA HIS V 27 1.499 6.636 9.167 1.00 18.39 C ATOM 275 C HIS V 27 1.397 5.107 9.093 1.00 18.67 C ATOM 276 O HIS V 27 0.608 4.581 8.306 1.00 18.98 O ATOM 277 CB HIS V 27 0.924 7.132 10.497 1.00 18.57 C ATOM 278 CG HIS V 27 1.293 8.545 10.820 1.00 18.27 C ATOM 279 ND1 HIS V 27 2.564 9.051 10.648 1.00 17.95 N ATOM 280 CD2 HIS V 27 0.548 9.565 11.312 1.00 16.28 C ATOM 281 CE1 HIS V 27 2.586 10.319 11.022 1.00 17.23 C ATOM 282 NE2 HIS V 27 1.376 10.654 11.427 1.00 18.25 N ATOM 283 HA HIS V 27 2.549 6.922 9.106 1.00 0.00 H ATOM 284 HB2 HIS V 27 -0.163 7.062 10.450 1.00 0.00 H ATOM 285 HB3 HIS V 27 1.295 6.488 11.294 1.00 0.00 H ATOM 286 HD2 HIS V 27 -0.511 9.528 11.568 1.00 0.00 H ATOM 287 HE1 HIS V 27 3.456 10.976 11.000 1.00 0.00 H ATOM 288 H HIS V 27 -0.028 6.754 7.634 1.00 0.00 H ATOM 289 N PRO V 28 2.188 4.353 9.902 1.00 18.40 N ATOM 290 CA PRO V 28 2.147 2.888 9.884 1.00 21.42 C ATOM 291 C PRO V 28 0.873 2.337 10.527 1.00 17.80 C ATOM 292 O PRO V 28 0.620 2.549 11.712 1.00 17.60 O ATOM 293 CB PRO V 28 3.400 2.467 10.687 1.00 22.86 C ATOM 294 CG PRO V 28 4.178 3.723 10.913 1.00 22.30 C ATOM 295 CD PRO V 28 3.175 4.842 10.881 1.00 21.24 C ATOM 296 HA PRO V 28 2.141 2.496 8.867 1.00 0.00 H ATOM 297 HD3 PRO V 28 2.719 4.992 11.860 1.00 0.00 H ATOM 298 HD2 PRO V 28 3.633 5.773 10.548 1.00 0.00 H ATOM 299 HG3 PRO V 28 4.920 3.856 10.126 1.00 0.00 H ATOM 300 HG2 PRO V 28 4.679 3.690 11.881 1.00 0.00 H ATOM 301 HB2 PRO V 28 3.110 2.023 11.639 1.00 0.00 H ATOM 302 HB3 PRO V 28 3.992 1.750 10.119 1.00 0.00 H ATOM 303 N ILE V 29 0.075 1.628 9.730 1.00 17.13 N ATOM 304 CA ILE V 29 -1.175 1.039 10.206 1.00 17.66 C ATOM 305 C ILE V 29 -1.252 -0.444 9.829 1.00 16.33 C ATOM 306 O ILE V 29 -0.619 -0.882 8.867 1.00 17.06 O ATOM 307 CB ILE V 29 -2.400 1.805 9.632 1.00 21.25 C ATOM 308 CG1 ILE V 29 -3.712 1.261 10.208 1.00 17.85 C ATOM 309 CG2 ILE V 29 -2.419 1.738 8.108 1.00 18.95 C ATOM 310 CD1 ILE V 29 -4.889 2.192 10.009 1.00 21.81 C ATOM 311 HA ILE V 29 -1.195 1.122 11.293 1.00 0.00 H ATOM 312 HB ILE V 29 -2.306 2.849 9.929 1.00 0.00 H ATOM 313 HG12 ILE V 29 -3.936 0.312 9.721 1.00 0.00 H ATOM 314 HG13 ILE V 29 -3.578 1.097 11.277 1.00 0.00 H ATOM 315 HD11 ILE V 29 -4.685 3.143 10.500 1.00 0.00 H ATOM 316 HD12 ILE V 29 -5.043 2.358 8.943 1.00 0.00 H ATOM 317 HD13 ILE V 29 -5.783 1.743 10.441 1.00 0.00 H ATOM 318 HG21 ILE V 29 -1.508 2.188 7.714 1.00 0.00 H ATOM 319 HG22 ILE V 29 -2.477 0.696 7.792 1.00 0.00 H ATOM 320 HG23 ILE V 29 -3.286 2.282 7.732 1.00 0.00 H ATOM 321 H ILE V 29 0.350 1.489 8.737 1.00 0.00 H ATOM 322 N GLU V 30 -2.025 -1.211 10.596 1.00 16.71 N ATOM 323 CA GLU V 30 -2.180 -2.641 10.344 1.00 18.33 C ATOM 324 C GLU V 30 -2.819 -2.890 8.978 1.00 17.12 C ATOM 325 O GLU V 30 -3.943 -2.459 8.721 1.00 18.34 O ATOM 326 CB GLU V 30 -3.034 -3.282 11.443 1.00 19.14 C ATOM 327 CG GLU V 30 -2.929 -4.801 11.481 1.00 25.02 C ATOM 328 CD GLU V 30 -2.037 -5.304 12.602 1.00 30.60 C ATOM 329 OE1 GLU V 30 -0.824 -5.015 12.570 1.00 31.09 O ATOM 330 OE2 GLU V 30 -2.553 -5.991 13.509 1.00 36.19 O ATOM 331 HA GLU V 30 -1.189 -3.095 10.348 1.00 0.00 H ATOM 332 HB2 GLU V 30 -2.710 -2.889 12.407 1.00 0.00 H ATOM 333 HB3 GLU V 30 -4.076 -3.011 11.273 1.00 0.00 H ATOM 334 HG2 GLU V 30 -3.928 -5.216 11.618 1.00 0.00 H ATOM 335 HG3 GLU V 30 -2.521 -5.146 10.531 1.00 0.00 H ATOM 336 H GLU V 30 -2.532 -0.780 11.396 1.00 0.00 H ATOM 337 N THR V 31 -2.092 -3.585 8.104 1.00 16.42 N ATOM 338 CA THR V 31 -2.587 -3.888 6.765 1.00 16.04 C ATOM 339 C THR V 31 -2.257 -5.324 6.367 1.00 18.40 C ATOM 340 O THR V 31 -1.138 -5.795 6.570 1.00 20.25 O ATOM 341 CB THR V 31 -1.985 -2.921 5.745 1.00 19.23 C ATOM 342 OG1 THR V 31 -2.031 -1.589 6.226 1.00 19.83 O ATOM 343 CG2 THR V 31 -2.691 -2.950 4.406 1.00 17.46 C ATOM 344 HA THR V 31 -3.671 -3.773 6.777 1.00 0.00 H ATOM 345 HB THR V 31 -0.957 -3.253 5.604 1.00 0.00 H ATOM 346 HG1 THR V 31 -1.516 -1.526 7.069 1.00 0.00 H ATOM 347 HG23 THR V 31 -2.672 -3.965 4.009 1.00 0.00 H ATOM 348 HG21 THR V 31 -3.724 -2.628 4.534 1.00 0.00 H ATOM 349 HG22 THR V 31 -2.183 -2.278 3.714 1.00 0.00 H ATOM 350 H THR V 31 -1.148 -3.920 8.383 1.00 0.00 H ATOM 351 N LEU V 32 -3.241 -6.013 5.794 1.00 21.87 N ATOM 352 CA LEU V 32 -3.058 -7.394 5.358 1.00 21.64 C ATOM 353 C LEU V 32 -2.529 -7.443 3.927 1.00 26.90 C ATOM 354 O LEU V 32 -3.086 -6.808 3.031 1.00 29.41 O ATOM 355 CB LEU V 32 -4.379 -8.156 5.461 1.00 20.94 C ATOM 356 CG LEU V 32 -4.715 -8.654 6.867 1.00 25.03 C ATOM 357 CD1 LEU V 32 -6.181 -9.050 6.964 1.00 29.99 C ATOM 358 CD2 LEU V 32 -3.820 -9.825 7.241 1.00 29.72 C ATOM 359 HA LEU V 32 -2.324 -7.868 6.010 1.00 0.00 H ATOM 360 HB2 LEU V 32 -5.181 -7.494 5.133 1.00 0.00 H ATOM 361 HB3 LEU V 32 -4.327 -9.019 4.797 1.00 0.00 H ATOM 362 HG LEU V 32 -4.536 -7.841 7.571 1.00 0.00 H ATOM 363 HD21 LEU V 32 -3.971 -10.637 6.530 1.00 0.00 H ATOM 364 HD22 LEU V 32 -2.778 -9.507 7.216 1.00 0.00 H ATOM 365 HD23 LEU V 32 -4.072 -10.167 8.245 1.00 0.00 H ATOM 366 HD11 LEU V 32 -6.805 -8.185 6.738 1.00 0.00 H ATOM 367 HD12 LEU V 32 -6.389 -9.846 6.249 1.00 0.00 H ATOM 368 HD13 LEU V 32 -6.395 -9.401 7.974 1.00 0.00 H ATOM 369 H LEU V 32 -4.164 -5.556 5.653 1.00 0.00 H ATOM 370 N VAL V 33 -1.445 -8.190 3.718 1.00 29.03 N ATOM 371 CA VAL V 33 -0.833 -8.308 2.391 1.00 26.45 C ATOM 372 C VAL V 33 -0.980 -9.725 1.828 1.00 24.55 C ATOM 373 O VAL V 33 -0.776 -10.717 2.532 1.00 23.03 O ATOM 374 CB VAL V 33 0.671 -7.933 2.421 1.00 23.07 C ATOM 375 CG1 VAL V 33 1.239 -7.848 1.009 1.00 19.35 C ATOM 376 CG2 VAL V 33 0.886 -6.617 3.156 1.00 25.49 C ATOM 377 HA VAL V 33 -1.363 -7.609 1.745 1.00 0.00 H ATOM 378 HB VAL V 33 1.200 -8.720 2.958 1.00 0.00 H ATOM 379 HG11 VAL V 33 1.128 -8.813 0.515 1.00 0.00 H ATOM 380 HG12 VAL V 33 0.699 -7.087 0.447 1.00 0.00 H ATOM 381 HG13 VAL V 33 2.295 -7.583 1.059 1.00 0.00 H ATOM 382 HG21 VAL V 33 0.336 -5.825 2.648 1.00 0.00 H ATOM 383 HG22 VAL V 33 0.526 -6.712 4.181 1.00 0.00 H ATOM 384 HG23 VAL V 33 1.949 -6.376 3.163 1.00 0.00 H ATOM 385 H VAL V 33 -1.022 -8.703 4.518 1.00 0.00 H ATOM 386 N ASP V 34 -1.324 -9.805 0.542 1.00 27.04 N ATOM 387 CA ASP V 34 -1.489 -11.091 -0.135 1.00 28.71 C ATOM 388 C ASP V 34 -0.128 -11.714 -0.433 1.00 25.48 C ATOM 389 O ASP V 34 0.783 -11.042 -0.929 1.00 24.33 O ATOM 390 CB ASP V 34 -2.279 -10.915 -1.434 1.00 35.64 C ATOM 391 CG ASP V 34 -2.890 -12.217 -1.914 1.00 48.43 C ATOM 392 OD1 ASP V 34 -3.557 -12.894 -1.102 1.00 58.30 O ATOM 393 OD2 ASP V 34 -2.701 -12.561 -3.099 1.00 51.55 O ATOM 394 HA ASP V 34 -2.044 -11.757 0.526 1.00 0.00 H ATOM 395 HB2 ASP V 34 -3.078 -10.194 -1.264 1.00 0.00 H ATOM 396 HB3 ASP V 34 -1.608 -10.537 -2.205 1.00 0.00 H ATOM 397 H ASP V 34 -1.479 -8.928 0.005 1.00 0.00 H ATOM 398 N ILE V 35 0.004 -13.004 -0.140 1.00 23.60 N ATOM 399 CA ILE V 35 1.259 -13.717 -0.389 1.00 25.58 C ATOM 400 C ILE V 35 1.533 -13.813 -1.888 1.00 31.22 C ATOM 401 O ILE V 35 2.660 -13.616 -2.337 1.00 33.35 O ATOM 402 CB ILE V 35 1.250 -15.141 0.237 1.00 21.03 C ATOM 403 CG1 ILE V 35 0.869 -15.071 1.719 1.00 17.90 C ATOM 404 CG2 ILE V 35 2.610 -15.818 0.084 1.00 22.78 C ATOM 405 CD1 ILE V 35 0.537 -16.423 2.315 1.00 23.95 C ATOM 406 HA ILE V 35 2.055 -13.145 0.088 1.00 0.00 H ATOM 407 HB ILE V 35 0.507 -15.735 -0.296 1.00 0.00 H ATOM 408 HG12 ILE V 35 1.706 -14.644 2.272 1.00 0.00 H ATOM 409 HG13 ILE V 35 -0.002 -14.423 1.823 1.00 0.00 H ATOM 410 HD11 ILE V 35 -0.306 -16.858 1.778 1.00 0.00 H ATOM 411 HD12 ILE V 35 1.403 -17.080 2.228 1.00 0.00 H ATOM 412 HD13 ILE V 35 0.276 -16.301 3.366 1.00 0.00 H ATOM 413 HG21 ILE V 35 2.855 -15.904 -0.975 1.00 0.00 H ATOM 414 HG22 ILE V 35 3.370 -15.221 0.587 1.00 0.00 H ATOM 415 HG23 ILE V 35 2.572 -16.811 0.531 1.00 0.00 H ATOM 416 H ILE V 35 -0.800 -13.517 0.274 1.00 0.00 H ATOM 417 N PHE V 36 0.492 -14.110 -2.659 1.00 33.36 N ATOM 418 CA PHE V 36 0.619 -14.220 -4.108 1.00 38.26 C ATOM 419 C PHE V 36 1.059 -12.890 -4.740 1.00 39.05 C ATOM 420 O PHE V 36 1.600 -12.881 -5.846 1.00 42.04 O ATOM 421 CB PHE V 36 -0.712 -14.685 -4.717 1.00 41.69 C ATOM 422 CG PHE V 36 -0.811 -16.179 -4.854 1.00 53.59 C ATOM 423 CD1 PHE V 36 -1.022 -16.978 -3.742 1.00 58.41 C ATOM 424 CD2 PHE V 36 -0.690 -16.783 -6.096 1.00 58.79 C ATOM 425 CE1 PHE V 36 -1.111 -18.352 -3.866 1.00 62.31 C ATOM 426 CE2 PHE V 36 -0.778 -18.156 -6.226 1.00 57.95 C ATOM 427 CZ PHE V 36 -0.989 -18.941 -5.110 1.00 60.35 C ATOM 428 HA PHE V 36 1.391 -14.958 -4.323 1.00 0.00 H ATOM 429 HB2 PHE V 36 -1.525 -14.341 -4.078 1.00 0.00 H ATOM 430 HB3 PHE V 36 -0.816 -14.239 -5.706 1.00 0.00 H ATOM 431 HD2 PHE V 36 -0.524 -16.168 -6.980 1.00 0.00 H ATOM 432 HE2 PHE V 36 -0.681 -18.619 -7.208 1.00 0.00 H ATOM 433 HZ PHE V 36 -1.059 -20.024 -5.210 1.00 0.00 H ATOM 434 HE1 PHE V 36 -1.277 -18.970 -2.984 1.00 0.00 H ATOM 435 HD1 PHE V 36 -1.119 -16.518 -2.758 1.00 0.00 H ATOM 436 H PHE V 36 -0.437 -14.268 -2.218 1.00 0.00 H ATOM 437 N GLN V 37 0.827 -11.768 -4.041 1.00 37.14 N ATOM 438 CA GLN V 37 1.207 -10.455 -4.558 1.00 34.63 C ATOM 439 C GLN V 37 2.694 -10.182 -4.336 1.00 32.71 C ATOM 440 O GLN V 37 3.324 -9.454 -5.108 1.00 37.25 O ATOM 441 CB GLN V 37 0.364 -9.361 -3.900 1.00 36.36 C ATOM 442 CG GLN V 37 0.347 -8.059 -4.683 1.00 43.30 C ATOM 443 CD GLN V 37 -0.511 -8.140 -5.930 1.00 50.72 C ATOM 444 OE1 GLN V 37 0.001 -8.156 -7.050 1.00 56.21 O ATOM 445 NE2 GLN V 37 -1.827 -8.194 -5.746 1.00 43.65 N ATOM 446 HA GLN V 37 1.020 -10.450 -5.632 1.00 0.00 H ATOM 447 HB2 GLN V 37 -0.660 -9.722 -3.808 1.00 0.00 H ATOM 448 HB3 GLN V 37 0.769 -9.162 -2.908 1.00 0.00 H ATOM 449 HG2 GLN V 37 -0.044 -7.270 -4.041 1.00 0.00 H ATOM 450 HG3 GLN V 37 1.368 -7.814 -4.977 1.00 0.00 H ATOM 451 HE22 GLN V 37 -2.218 -8.178 -4.783 1.00 0.00 H ATOM 452 HE21 GLN V 37 -2.465 -8.252 -6.565 1.00 0.00 H ATOM 453 H GLN V 37 0.367 -11.834 -3.111 1.00 0.00 H ATOM 454 N GLU V 38 3.253 -10.759 -3.270 1.00 32.32 N ATOM 455 CA GLU V 38 4.665 -10.562 -2.946 1.00 34.05 C ATOM 456 C GLU V 38 5.517 -11.647 -3.598 1.00 38.46 C ATOM 457 O GLU V 38 6.569 -11.367 -4.169 1.00 38.66 O ATOM 458 CB GLU V 38 4.872 -10.566 -1.432 1.00 32.80 C ATOM 459 CG GLU V 38 4.178 -9.413 -0.725 1.00 32.07 C ATOM 460 CD GLU V 38 4.781 -8.066 -1.075 1.00 34.57 C ATOM 461 OE1 GLU V 38 6.015 -7.919 -0.955 1.00 37.52 O ATOM 462 OE2 GLU V 38 4.018 -7.159 -1.469 1.00 23.69 O ATOM 463 HA GLU V 38 4.976 -9.593 -3.336 1.00 0.00 H ATOM 464 HB2 GLU V 38 4.482 -11.502 -1.032 1.00 0.00 H ATOM 465 HB3 GLU V 38 5.941 -10.503 -1.229 1.00 0.00 H ATOM 466 HG2 GLU V 38 3.126 -9.410 -1.011 1.00 0.00 H ATOM 467 HG3 GLU V 38 4.260 -9.563 0.351 1.00 0.00 H ATOM 468 H GLU V 38 2.670 -11.363 -2.656 1.00 0.00 H ATOM 469 N TYR V 39 5.049 -12.892 -3.515 1.00 36.96 N ATOM 470 CA TYR V 39 5.762 -14.025 -4.107 1.00 36.72 C ATOM 471 C TYR V 39 5.047 -14.498 -5.378 1.00 35.52 C ATOM 472 O TYR V 39 4.180 -15.372 -5.309 1.00 32.49 O ATOM 473 CB TYR V 39 5.857 -15.187 -3.107 1.00 35.21 C ATOM 474 CG TYR V 39 6.356 -14.794 -1.728 1.00 41.17 C ATOM 475 CD1 TYR V 39 7.383 -13.867 -1.562 1.00 44.49 C ATOM 476 CD2 TYR V 39 5.798 -15.361 -0.589 1.00 39.53 C ATOM 477 CE1 TYR V 39 7.834 -13.522 -0.302 1.00 46.75 C ATOM 478 CE2 TYR V 39 6.244 -15.019 0.673 1.00 41.04 C ATOM 479 CZ TYR V 39 7.261 -14.100 0.810 1.00 47.01 C ATOM 480 OH TYR V 39 7.707 -13.758 2.066 1.00 43.06 O ATOM 481 HA TYR V 39 6.769 -13.696 -4.363 1.00 0.00 H ATOM 482 HB3 TYR V 39 6.538 -15.933 -3.516 1.00 0.00 H ATOM 483 HB2 TYR V 39 4.865 -15.624 -2.998 1.00 0.00 H ATOM 484 HD2 TYR V 39 4.994 -16.089 -0.693 1.00 0.00 H ATOM 485 HE2 TYR V 39 5.794 -15.474 1.555 1.00 0.00 H ATOM 486 HE1 TYR V 39 8.639 -12.796 -0.188 1.00 0.00 H ATOM 487 HD1 TYR V 39 7.838 -13.407 -2.439 1.00 0.00 H ATOM 488 HH TYR V 39 8.435 -13.091 1.986 1.00 0.00 H ATOM 489 H TYR V 39 4.153 -13.063 -3.016 1.00 0.00 H ATOM 490 N PRO V 40 5.376 -13.933 -6.568 1.00 36.79 N ATOM 491 CA PRO V 40 4.722 -14.327 -7.821 1.00 38.34 C ATOM 492 C PRO V 40 5.236 -15.652 -8.410 1.00 39.28 C ATOM 493 O PRO V 40 4.686 -16.138 -9.402 1.00 41.59 O ATOM 494 CB PRO V 40 5.062 -13.173 -8.762 1.00 33.94 C ATOM 495 CG PRO V 40 6.388 -12.689 -8.291 1.00 34.82 C ATOM 496 CD PRO V 40 6.385 -12.864 -6.794 1.00 37.37 C ATOM 497 HA PRO V 40 3.657 -14.500 -7.667 1.00 0.00 H ATOM 498 HD3 PRO V 40 7.367 -13.174 -6.436 1.00 0.00 H ATOM 499 HD2 PRO V 40 6.092 -11.940 -6.295 1.00 0.00 H ATOM 500 HG3 PRO V 40 6.522 -11.639 -8.550 1.00 0.00 H ATOM 501 HG2 PRO V 40 7.188 -13.278 -8.740 1.00 0.00 H ATOM 502 HB2 PRO V 40 5.122 -13.521 -9.793 1.00 0.00 H ATOM 503 HB3 PRO V 40 4.315 -12.383 -8.689 1.00 0.00 H ATOM 504 N ASP V 41 6.289 -16.233 -7.820 1.00 39.84 N ATOM 505 CA ASP V 41 6.852 -17.487 -8.329 1.00 42.97 C ATOM 506 C ASP V 41 6.181 -18.716 -7.713 1.00 39.40 C ATOM 507 O ASP V 41 6.128 -19.778 -8.337 1.00 40.22 O ATOM 508 CB ASP V 41 8.356 -17.535 -8.055 1.00 52.48 C ATOM 509 CG ASP V 41 8.683 -17.318 -6.591 1.00 60.11 C ATOM 510 OD1 ASP V 41 8.261 -16.282 -6.035 1.00 61.00 O ATOM 511 OD2 ASP V 41 9.366 -18.182 -6.000 1.00 68.07 O ATOM 512 HA ASP V 41 6.666 -17.511 -9.403 1.00 0.00 H ATOM 513 HB2 ASP V 41 8.737 -18.510 -8.358 1.00 0.00 H ATOM 514 HB3 ASP V 41 8.844 -16.757 -8.642 1.00 0.00 H ATOM 515 H ASP V 41 6.716 -15.785 -6.984 1.00 0.00 H ATOM 516 N GLU V 42 5.670 -18.575 -6.494 1.00 32.89 N ATOM 517 CA GLU V 42 5.009 -19.687 -5.807 1.00 32.14 C ATOM 518 C GLU V 42 3.528 -19.774 -6.176 1.00 30.80 C ATOM 519 O GLU V 42 2.682 -19.159 -5.527 1.00 30.92 O ATOM 520 CB GLU V 42 5.154 -19.531 -4.291 1.00 31.12 C ATOM 521 CG GLU V 42 6.593 -19.347 -3.841 1.00 40.83 C ATOM 522 CD GLU V 42 7.288 -20.664 -3.558 1.00 51.91 C ATOM 523 OE1 GLU V 42 7.434 -21.475 -4.496 1.00 52.68 O ATOM 524 OE2 GLU V 42 7.689 -20.885 -2.395 1.00 49.67 O ATOM 525 HA GLU V 42 5.494 -20.609 -6.128 1.00 0.00 H ATOM 526 HB2 GLU V 42 4.579 -18.661 -3.976 1.00 0.00 H ATOM 527 HB3 GLU V 42 4.753 -20.424 -3.811 1.00 0.00 H ATOM 528 HG2 GLU V 42 7.140 -18.825 -4.626 1.00 0.00 H ATOM 529 HG3 GLU V 42 6.601 -18.745 -2.932 1.00 0.00 H ATOM 530 H GLU V 42 5.741 -17.654 -6.017 1.00 0.00 H ATOM 531 N ILE V 43 3.226 -20.532 -7.232 1.00 31.26 N ATOM 532 CA ILE V 43 1.844 -20.695 -7.699 1.00 32.91 C ATOM 533 C ILE V 43 1.355 -22.134 -7.532 1.00 32.87 C ATOM 534 O ILE V 43 0.166 -22.374 -7.326 1.00 33.89 O ATOM 535 CB ILE V 43 1.681 -20.301 -9.188 1.00 31.51 C ATOM 536 CG1 ILE V 43 2.435 -19.004 -9.519 1.00 35.56 C ATOM 537 CG2 ILE V 43 0.205 -20.150 -9.529 1.00 29.65 C ATOM 538 CD1 ILE V 43 2.036 -17.828 -8.655 1.00 38.61 C ATOM 539 HA ILE V 43 1.245 -20.027 -7.080 1.00 0.00 H ATOM 540 HB ILE V 43 2.113 -21.099 -9.792 1.00 0.00 H ATOM 541 HG12 ILE V 43 3.502 -19.183 -9.385 1.00 0.00 H ATOM 542 HG13 ILE V 43 2.239 -18.748 -10.560 1.00 0.00 H ATOM 543 HD11 ILE V 43 0.973 -17.627 -8.786 1.00 0.00 H ATOM 544 HD12 ILE V 43 2.237 -18.062 -7.610 1.00 0.00 H ATOM 545 HD13 ILE V 43 2.612 -16.951 -8.949 1.00 0.00 H ATOM 546 HG21 ILE V 43 -0.307 -21.096 -9.350 1.00 0.00 H ATOM 547 HG22 ILE V 43 -0.234 -19.374 -8.902 1.00 0.00 H ATOM 548 HG23 ILE V 43 0.102 -19.873 -10.578 1.00 0.00 H ATOM 549 H ILE V 43 3.991 -21.021 -7.738 1.00 0.00 H ATOM 550 N GLU V 44 2.273 -23.094 -7.637 1.00 31.09 N ATOM 551 CA GLU V 44 1.925 -24.510 -7.519 1.00 31.11 C ATOM 552 C GLU V 44 1.646 -24.938 -6.070 1.00 32.38 C ATOM 553 O GLU V 44 1.062 -25.999 -5.846 1.00 32.31 O ATOM 554 CB GLU V 44 3.045 -25.371 -8.104 1.00 34.26 C ATOM 555 CG GLU V 44 4.395 -25.135 -7.445 1.00 36.88 C ATOM 556 CD GLU V 44 5.292 -24.213 -8.250 1.00 40.01 C ATOM 557 OE1 GLU V 44 5.355 -24.378 -9.487 1.00 45.13 O ATOM 558 OE2 GLU V 44 5.932 -23.327 -7.646 1.00 44.37 O ATOM 559 HA GLU V 44 1.002 -24.658 -8.080 1.00 0.00 H ATOM 560 HB2 GLU V 44 2.777 -26.420 -7.977 1.00 0.00 H ATOM 561 HB3 GLU V 44 3.135 -25.146 -9.167 1.00 0.00 H ATOM 562 HG2 GLU V 44 4.230 -24.691 -6.463 1.00 0.00 H ATOM 563 HG3 GLU V 44 4.898 -26.095 -7.328 1.00 0.00 H ATOM 564 H GLU V 44 3.264 -22.829 -7.808 1.00 0.00 H ATOM 565 N TYR V 45 2.062 -24.131 -5.085 1.00 28.78 N ATOM 566 CA TYR V 45 1.839 -24.468 -3.674 1.00 28.10 C ATOM 567 C TYR V 45 0.884 -23.478 -3.012 1.00 27.54 C ATOM 568 O TYR V 45 1.276 -22.358 -2.677 1.00 26.89 O ATOM 569 CB TYR V 45 3.162 -24.475 -2.901 1.00 29.96 C ATOM 570 CG TYR V 45 4.295 -25.190 -3.604 1.00 28.72 C ATOM 571 CD1 TYR V 45 4.245 -26.561 -3.845 1.00 28.55 C ATOM 572 CD2 TYR V 45 5.425 -24.494 -4.012 1.00 26.29 C ATOM 573 CE1 TYR V 45 5.293 -27.211 -4.473 1.00 29.18 C ATOM 574 CE2 TYR V 45 6.472 -25.137 -4.643 1.00 28.09 C ATOM 575 CZ TYR V 45 6.402 -26.494 -4.869 1.00 27.81 C ATOM 576 OH TYR V 45 7.446 -27.137 -5.493 1.00 31.45 O ATOM 577 HA TYR V 45 1.395 -25.463 -3.648 1.00 0.00 H ATOM 578 HB3 TYR V 45 2.994 -24.964 -1.942 1.00 0.00 H ATOM 579 HB2 TYR V 45 3.464 -23.441 -2.732 1.00 0.00 H ATOM 580 HD2 TYR V 45 5.487 -23.421 -3.831 1.00 0.00 H ATOM 581 HE2 TYR V 45 7.349 -24.573 -4.961 1.00 0.00 H ATOM 582 HE1 TYR V 45 5.242 -28.285 -4.654 1.00 0.00 H ATOM 583 HD1 TYR V 45 3.368 -27.130 -3.535 1.00 0.00 H ATOM 584 HH TYR V 45 7.236 -28.101 -5.577 1.00 0.00 H ATOM 585 H TYR V 45 2.554 -23.247 -5.325 1.00 0.00 H ATOM 586 N ILE V 46 -0.367 -23.892 -2.829 1.00 28.26 N ATOM 587 CA ILE V 46 -1.370 -23.037 -2.204 1.00 31.50 C ATOM 588 C ILE V 46 -1.005 -22.797 -0.741 1.00 30.03 C ATOM 589 O ILE V 46 -0.687 -23.737 -0.010 1.00 27.67 O ATOM 590 CB ILE V 46 -2.788 -23.657 -2.312 1.00 34.29 C ATOM 591 CG1 ILE V 46 -3.099 -23.998 -3.774 1.00 32.76 C ATOM 592 CG2 ILE V 46 -3.842 -22.706 -1.748 1.00 33.68 C ATOM 593 CD1 ILE V 46 -4.437 -24.672 -3.976 1.00 35.09 C ATOM 594 HA ILE V 46 -1.385 -22.084 -2.733 1.00 0.00 H ATOM 595 HB ILE V 46 -2.812 -24.573 -1.722 1.00 0.00 H ATOM 596 HG12 ILE V 46 -3.090 -23.074 -4.352 1.00 0.00 H ATOM 597 HG13 ILE V 46 -2.320 -24.664 -4.144 1.00 0.00 H ATOM 598 HD11 ILE V 46 -4.460 -25.606 -3.415 1.00 0.00 H ATOM 599 HD12 ILE V 46 -5.231 -24.014 -3.622 1.00 0.00 H ATOM 600 HD13 ILE V 46 -4.581 -24.880 -5.036 1.00 0.00 H ATOM 601 HG21 ILE V 46 -3.625 -22.506 -0.699 1.00 0.00 H ATOM 602 HG22 ILE V 46 -3.823 -21.771 -2.309 1.00 0.00 H ATOM 603 HG23 ILE V 46 -4.827 -23.164 -1.836 1.00 0.00 H ATOM 604 H ILE V 46 -0.636 -24.848 -3.139 1.00 0.00 H ATOM 605 N PHE V 47 -1.025 -21.535 -0.327 1.00 26.65 N ATOM 606 CA PHE V 47 -0.669 -21.170 1.041 1.00 24.15 C ATOM 607 C PHE V 47 -1.899 -21.026 1.932 1.00 24.08 C ATOM 608 O PHE V 47 -2.942 -20.533 1.500 1.00 24.75 O ATOM 609 CB PHE V 47 0.124 -19.863 1.045 1.00 20.77 C ATOM 610 CG PHE V 47 1.412 -19.940 0.277 1.00 27.71 C ATOM 611 CD1 PHE V 47 2.444 -20.755 0.712 1.00 29.86 C ATOM 612 CD2 PHE V 47 1.589 -19.198 -0.880 1.00 27.73 C ATOM 613 CE1 PHE V 47 3.630 -20.829 0.008 1.00 29.96 C ATOM 614 CE2 PHE V 47 2.773 -19.269 -1.589 1.00 25.52 C ATOM 615 CZ PHE V 47 3.795 -20.084 -1.144 1.00 33.54 C ATOM 616 HA PHE V 47 -0.057 -21.976 1.445 1.00 0.00 H ATOM 617 HB2 PHE V 47 -0.495 -19.082 0.603 1.00 0.00 H ATOM 618 HB3 PHE V 47 0.353 -19.602 2.078 1.00 0.00 H ATOM 619 HD2 PHE V 47 0.786 -18.552 -1.234 1.00 0.00 H ATOM 620 HE2 PHE V 47 2.900 -18.682 -2.499 1.00 0.00 H ATOM 621 HZ PHE V 47 4.731 -20.140 -1.701 1.00 0.00 H ATOM 622 HE1 PHE V 47 4.435 -21.474 0.361 1.00 0.00 H ATOM 623 HD1 PHE V 47 2.319 -21.345 1.620 1.00 0.00 H ATOM 624 H PHE V 47 -1.302 -20.787 -0.995 1.00 0.00 H ATOM 625 N LYS V 48 -1.760 -21.453 3.187 1.00 20.31 N ATOM 626 CA LYS V 48 -2.845 -21.366 4.165 1.00 19.08 C ATOM 627 C LYS V 48 -2.330 -20.748 5.479 1.00 23.12 C ATOM 628 O LYS V 48 -1.600 -21.412 6.213 1.00 22.10 O ATOM 629 CB LYS V 48 -3.417 -22.760 4.442 1.00 23.20 C ATOM 630 CG LYS V 48 -4.656 -22.733 5.324 1.00 30.92 C ATOM 631 CD LYS V 48 -5.513 -23.980 5.137 1.00 42.77 C ATOM 632 CE LYS V 48 -6.644 -23.742 4.149 1.00 44.46 C ATOM 633 NZ LYS V 48 -6.151 -23.192 2.859 1.00 39.82 N ATOM 634 HA LYS V 48 -3.631 -20.730 3.756 1.00 0.00 H ATOM 635 HB2 LYS V 48 -3.678 -23.223 3.491 1.00 0.00 H ATOM 636 HB3 LYS V 48 -2.651 -23.357 4.937 1.00 0.00 H ATOM 637 HG2 LYS V 48 -4.345 -22.671 6.367 1.00 0.00 H ATOM 638 HG3 LYS V 48 -5.250 -21.855 5.071 1.00 0.00 H ATOM 639 HD2 LYS V 48 -4.884 -24.789 4.766 1.00 0.00 H ATOM 640 HD3 LYS V 48 -5.938 -24.264 6.099 1.00 0.00 H ATOM 641 HE2 LYS V 48 -7.350 -23.036 4.586 1.00 0.00 H ATOM 642 HE3 LYS V 48 -7.150 -24.689 3.958 1.00 0.00 H ATOM 643 HZ1 LYS V 48 -5.673 -22.284 3.031 1.00 0.00 H ATOM 644 HZ2 LYS V 48 -5.481 -23.863 2.431 1.00 0.00 H ATOM 645 HZ3 LYS V 48 -6.955 -23.045 2.216 1.00 0.00 H ATOM 646 H LYS V 48 -0.850 -21.862 3.481 1.00 0.00 H ATOM 647 N PRO V 49 -2.677 -19.469 5.818 1.00 21.57 N ATOM 648 CA PRO V 49 -3.544 -18.585 5.014 1.00 21.36 C ATOM 649 C PRO V 49 -2.836 -18.013 3.791 1.00 18.95 C ATOM 650 O PRO V 49 -1.607 -17.988 3.727 1.00 18.93 O ATOM 651 CB PRO V 49 -3.898 -17.463 5.995 1.00 22.80 C ATOM 652 CG PRO V 49 -2.733 -17.392 6.916 1.00 22.04 C ATOM 653 CD PRO V 49 -2.226 -18.802 7.058 1.00 22.58 C ATOM 654 HA PRO V 49 -4.405 -19.119 4.612 1.00 0.00 H ATOM 655 HD3 PRO V 49 -1.139 -18.818 7.134 1.00 0.00 H ATOM 656 HD2 PRO V 49 -2.657 -19.283 7.936 1.00 0.00 H ATOM 657 HG3 PRO V 49 -3.040 -17.001 7.886 1.00 0.00 H ATOM 658 HG2 PRO V 49 -1.957 -16.751 6.497 1.00 0.00 H ATOM 659 HB2 PRO V 49 -4.031 -16.518 5.468 1.00 0.00 H ATOM 660 HB3 PRO V 49 -4.809 -17.703 6.543 1.00 0.00 H ATOM 661 N SER V 50 -3.622 -17.554 2.822 1.00 19.61 N ATOM 662 CA SER V 50 -3.076 -16.981 1.596 1.00 20.56 C ATOM 663 C SER V 50 -2.583 -15.531 1.785 1.00 21.13 C ATOM 664 O SER V 50 -1.975 -14.971 0.874 1.00 20.77 O ATOM 665 CB SER V 50 -4.131 -17.019 0.490 1.00 20.41 C ATOM 666 OG SER V 50 -5.265 -16.245 0.840 1.00 24.61 O ATOM 667 HA SER V 50 -2.213 -17.586 1.319 1.00 0.00 H ATOM 668 HB2 SER V 50 -4.441 -18.052 0.328 1.00 0.00 H ATOM 669 HB3 SER V 50 -3.699 -16.622 -0.429 1.00 0.00 H ATOM 670 HG SER V 50 -5.930 -16.287 0.108 1.00 0.00 H ATOM 671 H SER V 50 -4.654 -17.605 2.941 1.00 0.00 H ATOM 672 N CYS V 51 -2.840 -14.923 2.954 1.00 22.81 N ATOM 673 CA CYS V 51 -2.407 -13.552 3.215 1.00 20.12 C ATOM 674 C CYS V 51 -1.802 -13.443 4.613 1.00 18.06 C ATOM 675 O CYS V 51 -1.989 -14.334 5.442 1.00 18.18 O ATOM 676 CB CYS V 51 -3.585 -12.584 3.062 1.00 20.70 C ATOM 677 SG CYS V 51 -4.971 -12.899 4.206 1.00 23.19 S ATOM 678 HA CYS V 51 -1.642 -13.283 2.487 1.00 0.00 H ATOM 679 HB2 CYS V 51 -3.960 -12.661 2.042 1.00 0.00 H ATOM 680 HB3 CYS V 51 -3.220 -11.572 3.238 1.00 0.00 H ATOM 681 H CYS V 51 -3.360 -15.440 3.692 1.00 0.00 H ATOM 682 N VAL V 52 -1.068 -12.361 4.870 1.00 16.97 N ATOM 683 CA VAL V 52 -0.431 -12.162 6.173 1.00 16.88 C ATOM 684 C VAL V 52 -0.527 -10.704 6.645 1.00 17.01 C ATOM 685 O VAL V 52 -0.425 -9.783 5.834 1.00 18.22 O ATOM 686 CB VAL V 52 1.057 -12.571 6.128 1.00 19.17 C ATOM 687 CG1 VAL V 52 1.192 -14.071 5.925 1.00 20.57 C ATOM 688 CG2 VAL V 52 1.796 -11.811 5.036 1.00 17.34 C ATOM 689 HA VAL V 52 -0.969 -12.795 6.879 1.00 0.00 H ATOM 690 HB VAL V 52 1.510 -12.312 7.085 1.00 0.00 H ATOM 691 HG11 VAL V 52 0.706 -14.593 6.749 1.00 0.00 H ATOM 692 HG12 VAL V 52 0.718 -14.353 4.985 1.00 0.00 H ATOM 693 HG13 VAL V 52 2.248 -14.339 5.896 1.00 0.00 H ATOM 694 HG21 VAL V 52 1.342 -12.032 4.070 1.00 0.00 H ATOM 695 HG22 VAL V 52 1.732 -10.741 5.233 1.00 0.00 H ATOM 696 HG23 VAL V 52 2.842 -12.118 5.026 1.00 0.00 H ATOM 697 H VAL V 52 -0.945 -11.642 4.129 1.00 0.00 H ATOM 698 N PRO V 53 -0.722 -10.458 7.971 1.00 18.94 N ATOM 699 CA PRO V 53 -0.817 -9.095 8.500 1.00 19.12 C ATOM 700 C PRO V 53 0.553 -8.435 8.646 1.00 17.23 C ATOM 701 O PRO V 53 1.433 -8.956 9.329 1.00 18.14 O ATOM 702 CB PRO V 53 -1.459 -9.299 9.870 1.00 17.45 C ATOM 703 CG PRO V 53 -0.983 -10.640 10.305 1.00 17.44 C ATOM 704 CD PRO V 53 -0.865 -11.468 9.050 1.00 19.44 C ATOM 705 HA PRO V 53 -1.382 -8.436 7.841 1.00 0.00 H ATOM 706 HD3 PRO V 53 0.010 -12.117 9.093 1.00 0.00 H ATOM 707 HD2 PRO V 53 -1.758 -12.074 8.899 1.00 0.00 H ATOM 708 HG3 PRO V 53 -1.699 -11.092 10.991 1.00 0.00 H ATOM 709 HG2 PRO V 53 -0.014 -10.557 10.797 1.00 0.00 H ATOM 710 HB2 PRO V 53 -1.133 -8.528 10.568 1.00 0.00 H ATOM 711 HB3 PRO V 53 -2.546 -9.281 9.794 1.00 0.00 H ATOM 712 N LEU V 54 0.727 -7.285 7.997 1.00 16.75 N ATOM 713 CA LEU V 54 1.993 -6.555 8.052 1.00 16.12 C ATOM 714 C LEU V 54 1.752 -5.066 8.282 1.00 15.47 C ATOM 715 O LEU V 54 0.782 -4.499 7.778 1.00 16.25 O ATOM 716 CB LEU V 54 2.779 -6.762 6.757 1.00 17.16 C ATOM 717 CG LEU V 54 3.009 -8.224 6.378 1.00 16.95 C ATOM 718 CD1 LEU V 54 3.508 -8.333 4.946 1.00 17.26 C ATOM 719 CD2 LEU V 54 3.996 -8.871 7.338 1.00 20.94 C ATOM 720 HA LEU V 54 2.574 -6.944 8.888 1.00 0.00 H ATOM 721 HB2 LEU V 54 2.231 -6.283 5.946 1.00 0.00 H ATOM 722 HB3 LEU V 54 3.752 -6.283 6.869 1.00 0.00 H ATOM 723 HG LEU V 54 2.059 -8.753 6.450 1.00 0.00 H ATOM 724 HD21 LEU V 54 4.946 -8.338 7.294 1.00 0.00 H ATOM 725 HD22 LEU V 54 3.598 -8.825 8.352 1.00 0.00 H ATOM 726 HD23 LEU V 54 4.148 -9.912 7.053 1.00 0.00 H ATOM 727 HD11 LEU V 54 2.767 -7.905 4.271 1.00 0.00 H ATOM 728 HD12 LEU V 54 4.448 -7.790 4.848 1.00 0.00 H ATOM 729 HD13 LEU V 54 3.665 -9.382 4.696 1.00 0.00 H ATOM 730 H LEU V 54 -0.058 -6.896 7.436 1.00 0.00 H ATOM 731 N MET V 55 2.642 -4.438 9.044 1.00 15.98 N ATOM 732 CA MET V 55 2.527 -3.014 9.340 1.00 17.19 C ATOM 733 C MET V 55 3.033 -2.174 8.170 1.00 18.67 C ATOM 734 O MET V 55 4.240 -2.029 7.975 1.00 18.80 O ATOM 735 CB MET V 55 3.315 -2.670 10.606 1.00 16.07 C ATOM 736 CG MET V 55 2.800 -3.375 11.849 1.00 19.97 C ATOM 737 SD MET V 55 1.150 -2.825 12.325 1.00 29.17 S ATOM 738 CE MET V 55 1.437 -1.078 12.593 1.00 23.25 C ATOM 739 HA MET V 55 1.474 -2.785 9.502 1.00 0.00 H ATOM 740 HB2 MET V 55 4.356 -2.955 10.453 1.00 0.00 H ATOM 741 HB3 MET V 55 3.255 -1.594 10.769 1.00 0.00 H ATOM 742 HG2 MET V 55 3.486 -3.176 12.673 1.00 0.00 H ATOM 743 HG3 MET V 55 2.768 -4.447 11.655 1.00 0.00 H ATOM 744 HE1 MET V 55 2.182 -0.950 13.378 1.00 0.00 H ATOM 745 HE2 MET V 55 1.798 -0.625 11.670 1.00 0.00 H ATOM 746 HE3 MET V 55 0.505 -0.600 12.894 1.00 0.00 H ATOM 747 H MET V 55 3.440 -4.975 9.439 1.00 0.00 H ATOM 748 N ARG V 56 2.101 -1.625 7.394 1.00 17.20 N ATOM 749 CA ARG V 56 2.444 -0.795 6.237 1.00 21.77 C ATOM 750 C ARG V 56 1.887 0.615 6.399 1.00 22.40 C ATOM 751 O ARG V 56 1.110 0.880 7.313 1.00 23.40 O ATOM 752 CB ARG V 56 1.892 -1.423 4.955 1.00 23.14 C ATOM 753 CG ARG V 56 2.381 -2.845 4.715 1.00 21.82 C ATOM 754 CD ARG V 56 3.698 -2.882 3.942 1.00 18.41 C ATOM 755 NE ARG V 56 3.659 -3.848 2.842 1.00 21.00 N ATOM 756 CZ ARG V 56 3.137 -3.597 1.632 1.00 21.95 C ATOM 757 NH1 ARG V 56 2.600 -2.413 1.344 1.00 18.10 N ATOM 758 NH2 ARG V 56 3.155 -4.544 0.704 1.00 23.26 N ATOM 759 HA ARG V 56 3.530 -0.736 6.171 1.00 0.00 H ATOM 760 HB2 ARG V 56 0.804 -1.438 5.019 1.00 0.00 H ATOM 761 HB3 ARG V 56 2.196 -0.806 4.110 1.00 0.00 H ATOM 762 HG2 ARG V 56 2.526 -3.334 5.679 1.00 0.00 H ATOM 763 HG3 ARG V 56 1.625 -3.385 4.145 1.00 0.00 H ATOM 764 HD2 ARG V 56 4.501 -3.158 4.626 1.00 0.00 H ATOM 765 HD3 ARG V 56 3.895 -1.891 3.534 1.00 0.00 H ATOM 766 HE ARG V 56 4.063 -4.792 3.010 1.00 0.00 H ATOM 767 HH12 ARG V 56 2.201 -2.239 0.400 1.00 0.00 H ATOM 768 HH11 ARG V 56 2.580 -1.662 2.063 1.00 0.00 H ATOM 769 HH22 ARG V 56 2.752 -4.358 -0.237 1.00 0.00 H ATOM 770 HH21 ARG V 56 3.572 -5.473 0.917 1.00 0.00 H ATOM 771 H ARG V 56 1.099 -1.791 7.616 1.00 0.00 H ATOM 772 N CYS V 57 2.284 1.513 5.502 1.00 18.45 N ATOM 773 CA CYS V 57 1.816 2.897 5.544 1.00 19.81 C ATOM 774 C CYS V 57 0.560 3.060 4.689 1.00 18.50 C ATOM 775 O CYS V 57 0.518 2.605 3.544 1.00 21.04 O ATOM 776 CB CYS V 57 2.907 3.855 5.051 1.00 22.84 C ATOM 777 SG CYS V 57 4.566 3.533 5.740 1.00 25.39 S ATOM 778 HA CYS V 57 1.577 3.142 6.579 1.00 0.00 H ATOM 779 HB2 CYS V 57 2.617 4.870 5.322 1.00 0.00 H ATOM 780 HB3 CYS V 57 2.967 3.773 3.966 1.00 0.00 H ATOM 781 H CYS V 57 2.944 1.223 4.752 1.00 0.00 H ATOM 782 N GLY V 58 -0.459 3.710 5.253 1.00 20.11 N ATOM 783 CA GLY V 58 -1.705 3.919 4.529 1.00 20.29 C ATOM 784 C GLY V 58 -2.359 5.250 4.859 1.00 20.36 C ATOM 785 O GLY V 58 -2.095 5.830 5.912 1.00 19.59 O ATOM 786 HA3 GLY V 58 -2.397 3.117 4.786 1.00 0.00 H ATOM 787 HA2 GLY V 58 -1.497 3.888 3.460 1.00 0.00 H ATOM 788 H GLY V 58 -0.362 4.072 6.223 1.00 0.00 H ATOM 789 N GLY V 59 -3.220 5.727 3.957 1.00 21.32 N ATOM 790 CA GLY V 59 -3.912 6.992 4.166 1.00 20.02 C ATOM 791 C GLY V 59 -3.693 7.970 3.031 1.00 21.66 C ATOM 792 O GLY V 59 -3.792 7.603 1.859 1.00 19.64 O ATOM 793 HA3 GLY V 59 -3.547 7.441 5.090 1.00 0.00 H ATOM 794 HA2 GLY V 59 -4.980 6.795 4.256 1.00 0.00 H ATOM 795 H GLY V 59 -3.400 5.185 3.088 1.00 0.00 H ATOM 796 N CYS V 60 -3.396 9.222 3.375 1.00 19.18 N ATOM 797 CA CYS V 60 -3.164 10.259 2.376 1.00 20.85 C ATOM 798 C CYS V 60 -2.151 11.286 2.886 1.00 19.94 C ATOM 799 O CYS V 60 -1.751 11.247 4.049 1.00 20.67 O ATOM 800 CB CYS V 60 -4.483 10.950 2.011 1.00 18.47 C ATOM 801 SG CYS V 60 -5.416 11.587 3.440 1.00 23.55 S ATOM 802 HA CYS V 60 -2.755 9.788 1.482 1.00 0.00 H ATOM 803 HB2 CYS V 60 -5.111 10.231 1.486 1.00 0.00 H ATOM 804 HB3 CYS V 60 -4.259 11.786 1.349 1.00 0.00 H ATOM 805 H CYS V 60 -3.328 9.467 4.383 1.00 0.00 H ATOM 806 N CYS V 61 -1.729 12.191 2.005 1.00 19.40 N ATOM 807 CA CYS V 61 -0.748 13.216 2.366 1.00 21.79 C ATOM 808 C CYS V 61 -1.418 14.565 2.627 1.00 22.41 C ATOM 809 O CYS V 61 -2.641 14.688 2.551 1.00 23.61 O ATOM 810 CB CYS V 61 0.294 13.360 1.255 1.00 20.07 C ATOM 811 SG CYS V 61 1.598 12.087 1.296 1.00 23.92 S ATOM 812 HA CYS V 61 -0.258 12.899 3.286 1.00 0.00 H ATOM 813 HB2 CYS V 61 0.766 14.338 1.351 1.00 0.00 H ATOM 814 HB3 CYS V 61 -0.217 13.297 0.294 1.00 0.00 H ATOM 815 H CYS V 61 -2.106 12.169 1.036 1.00 0.00 H ATOM 816 N ASN V 62 -0.604 15.568 2.945 1.00 22.74 N ATOM 817 CA ASN V 62 -1.103 16.910 3.231 1.00 26.84 C ATOM 818 C ASN V 62 -1.518 17.641 1.955 1.00 27.79 C ATOM 819 O ASN V 62 -2.444 18.452 1.971 1.00 24.02 O ATOM 820 CB ASN V 62 -0.033 17.727 3.957 1.00 27.25 C ATOM 821 CG ASN V 62 0.091 17.350 5.421 1.00 33.71 C ATOM 822 OD1 ASN V 62 -0.419 16.317 5.853 1.00 30.90 O ATOM 823 ND2 ASN V 62 0.772 18.191 6.194 1.00 30.60 N ATOM 824 HA ASN V 62 -1.982 16.803 3.866 1.00 0.00 H ATOM 825 HB2 ASN V 62 0.927 17.558 3.470 1.00 0.00 H ATOM 826 HB3 ASN V 62 -0.293 18.783 3.888 1.00 0.00 H ATOM 827 HD22 ASN V 62 1.186 19.053 5.786 1.00 0.00 H ATOM 828 HD21 ASN V 62 0.890 17.987 7.207 1.00 0.00 H ATOM 829 H ASN V 62 0.420 15.391 2.991 1.00 0.00 H ATOM 830 N ASP V 63 -0.821 17.362 0.854 1.00 28.86 N ATOM 831 CA ASP V 63 -1.112 18.011 -0.426 1.00 30.93 C ATOM 832 C ASP V 63 -1.371 16.976 -1.519 1.00 31.43 C ATOM 833 O ASP V 63 -1.047 15.799 -1.363 1.00 29.18 O ATOM 834 CB ASP V 63 0.056 18.912 -0.835 1.00 34.12 C ATOM 835 CG ASP V 63 -0.352 19.963 -1.851 1.00 40.73 C ATOM 836 OD1 ASP V 63 -1.285 20.741 -1.556 1.00 39.72 O ATOM 837 OD2 ASP V 63 0.258 20.006 -2.938 1.00 38.66 O ATOM 838 HA ASP V 63 -2.011 18.615 -0.303 1.00 0.00 H ATOM 839 HB2 ASP V 63 0.439 19.414 0.054 1.00 0.00 H ATOM 840 HB3 ASP V 63 0.841 18.292 -1.268 1.00 0.00 H ATOM 841 H ASP V 63 -0.050 16.665 0.905 1.00 0.00 H ATOM 842 N GLU V 64 -1.970 17.428 -2.619 1.00 34.90 N ATOM 843 CA GLU V 64 -2.285 16.548 -3.742 1.00 38.97 C ATOM 844 C GLU V 64 -1.020 16.114 -4.482 1.00 39.22 C ATOM 845 O GLU V 64 -0.964 15.012 -5.030 1.00 41.33 O ATOM 846 CB GLU V 64 -3.232 17.250 -4.714 1.00 46.28 C ATOM 847 CG GLU V 64 -3.950 16.294 -5.652 1.00 61.78 C ATOM 848 CD GLU V 64 -4.598 17.003 -6.825 1.00 73.79 C ATOM 849 OE1 GLU V 64 -3.865 17.412 -7.750 1.00 79.76 O ATOM 850 OE2 GLU V 64 -5.839 17.146 -6.821 1.00 79.34 O ATOM 851 HA GLU V 64 -2.769 15.658 -3.340 1.00 0.00 H ATOM 852 HB2 GLU V 64 -3.979 17.795 -4.137 1.00 0.00 H ATOM 853 HB3 GLU V 64 -2.654 17.954 -5.313 1.00 0.00 H ATOM 854 HG2 GLU V 64 -3.228 15.573 -6.035 1.00 0.00 H ATOM 855 HG3 GLU V 64 -4.723 15.769 -5.091 1.00 0.00 H ATOM 856 H GLU V 64 -2.221 18.435 -2.680 1.00 0.00 H ATOM 857 N GLY V 65 -0.013 16.991 -4.494 1.00 35.37 N ATOM 858 CA GLY V 65 1.235 16.688 -5.174 1.00 32.97 C ATOM 859 C GLY V 65 2.196 15.808 -4.373 1.00 32.72 C ATOM 860 O GLY V 65 3.327 15.596 -4.808 1.00 34.09 O ATOM 861 HA3 GLY V 65 1.739 17.629 -5.396 1.00 0.00 H ATOM 862 HA2 GLY V 65 0.999 16.174 -6.106 1.00 0.00 H ATOM 863 H GLY V 65 -0.124 17.905 -4.009 1.00 0.00 H ATOM 864 N LEU V 66 1.758 15.282 -3.221 1.00 33.64 N ATOM 865 CA LEU V 66 2.609 14.420 -2.402 1.00 31.47 C ATOM 866 C LEU V 66 2.193 12.961 -2.554 1.00 30.71 C ATOM 867 O LEU V 66 1.242 12.650 -3.274 1.00 30.46 O ATOM 868 CB LEU V 66 2.524 14.829 -0.931 1.00 25.00 C ATOM 869 CG LEU V 66 3.283 16.108 -0.575 1.00 28.20 C ATOM 870 CD1 LEU V 66 2.925 16.566 0.829 1.00 20.32 C ATOM 871 CD2 LEU V 66 4.783 15.888 -0.699 1.00 31.13 C ATOM 872 HA LEU V 66 3.638 14.533 -2.743 1.00 0.00 H ATOM 873 HB2 LEU V 66 1.474 14.977 -0.680 1.00 0.00 H ATOM 874 HB3 LEU V 66 2.929 14.016 -0.329 1.00 0.00 H ATOM 875 HG LEU V 66 2.991 16.890 -1.276 1.00 0.00 H ATOM 876 HD21 LEU V 66 5.090 15.092 -0.020 1.00 0.00 H ATOM 877 HD22 LEU V 66 5.024 15.606 -1.724 1.00 0.00 H ATOM 878 HD23 LEU V 66 5.306 16.809 -0.442 1.00 0.00 H ATOM 879 HD11 LEU V 66 1.854 16.762 0.884 1.00 0.00 H ATOM 880 HD12 LEU V 66 3.190 15.786 1.543 1.00 0.00 H ATOM 881 HD13 LEU V 66 3.475 17.477 1.064 1.00 0.00 H ATOM 882 H LEU V 66 0.791 15.492 -2.902 1.00 0.00 H ATOM 883 N GLU V 67 2.901 12.071 -1.865 1.00 29.54 N ATOM 884 CA GLU V 67 2.595 10.647 -1.916 1.00 29.72 C ATOM 885 C GLU V 67 3.046 9.949 -0.635 1.00 28.65 C ATOM 886 O GLU V 67 4.171 10.142 -0.175 1.00 26.01 O ATOM 887 CB GLU V 67 3.263 9.998 -3.132 1.00 28.23 C ATOM 888 CG GLU V 67 4.751 10.294 -3.234 1.00 34.16 C ATOM 889 CD GLU V 67 5.474 9.328 -4.153 1.00 39.49 C ATOM 890 OE1 GLU V 67 5.258 8.105 -4.017 1.00 37.93 O ATOM 891 OE2 GLU V 67 6.255 9.795 -5.009 1.00 44.55 O ATOM 892 HA GLU V 67 1.515 10.537 -2.008 1.00 0.00 H ATOM 893 HB2 GLU V 67 3.129 8.918 -3.065 1.00 0.00 H ATOM 894 HB3 GLU V 67 2.774 10.368 -4.033 1.00 0.00 H ATOM 895 HG2 GLU V 67 4.881 11.306 -3.618 1.00 0.00 H ATOM 896 HG3 GLU V 67 5.190 10.225 -2.239 1.00 0.00 H ATOM 897 H GLU V 67 3.692 12.399 -1.275 1.00 0.00 H ATOM 898 N CYS V 68 2.158 9.138 -0.069 1.00 27.04 N ATOM 899 CA CYS V 68 2.455 8.405 1.159 1.00 25.80 C ATOM 900 C CYS V 68 3.319 7.180 0.857 1.00 26.88 C ATOM 901 O CYS V 68 2.833 6.180 0.329 1.00 29.88 O ATOM 902 CB CYS V 68 1.145 7.987 1.846 1.00 19.87 C ATOM 903 SG CYS V 68 1.353 7.032 3.388 1.00 25.81 S ATOM 904 HA CYS V 68 3.014 9.055 1.832 1.00 0.00 H ATOM 905 HB2 CYS V 68 0.575 7.378 1.145 1.00 0.00 H ATOM 906 HB3 CYS V 68 0.583 8.891 2.081 1.00 0.00 H ATOM 907 H CYS V 68 1.225 9.022 -0.513 1.00 0.00 H ATOM 908 N VAL V 69 4.605 7.272 1.192 1.00 24.49 N ATOM 909 CA VAL V 69 5.547 6.176 0.956 1.00 24.97 C ATOM 910 C VAL V 69 6.406 5.909 2.197 1.00 22.87 C ATOM 911 O VAL V 69 6.517 6.773 3.067 1.00 22.18 O ATOM 912 CB VAL V 69 6.470 6.485 -0.239 1.00 27.35 C ATOM 913 CG1 VAL V 69 5.690 6.449 -1.545 1.00 30.42 C ATOM 914 CG2 VAL V 69 7.151 7.834 -0.056 1.00 20.60 C ATOM 915 HA VAL V 69 4.956 5.288 0.732 1.00 0.00 H ATOM 916 HB VAL V 69 7.241 5.716 -0.282 1.00 0.00 H ATOM 917 HG11 VAL V 69 5.257 5.458 -1.681 1.00 0.00 H ATOM 918 HG12 VAL V 69 4.894 7.193 -1.512 1.00 0.00 H ATOM 919 HG13 VAL V 69 6.362 6.670 -2.374 1.00 0.00 H ATOM 920 HG21 VAL V 69 6.394 8.615 0.017 1.00 0.00 H ATOM 921 HG22 VAL V 69 7.747 7.818 0.856 1.00 0.00 H ATOM 922 HG23 VAL V 69 7.798 8.032 -0.911 1.00 0.00 H ATOM 923 H VAL V 69 4.950 8.148 1.634 1.00 0.00 H ATOM 924 N PRO V 70 7.030 4.706 2.319 1.00 22.85 N ATOM 925 CA PRO V 70 7.860 4.375 3.479 1.00 23.87 C ATOM 926 C PRO V 70 9.295 4.879 3.344 1.00 26.02 C ATOM 927 O PRO V 70 9.811 5.020 2.236 1.00 27.01 O ATOM 928 CB PRO V 70 7.830 2.850 3.480 1.00 21.90 C ATOM 929 CG PRO V 70 7.771 2.484 2.038 1.00 24.47 C ATOM 930 CD PRO V 70 6.976 3.576 1.356 1.00 20.00 C ATOM 931 HA PRO V 70 7.492 4.837 4.395 1.00 0.00 H ATOM 932 HD3 PRO V 70 7.432 3.853 0.405 1.00 0.00 H ATOM 933 HD2 PRO V 70 5.947 3.259 1.185 1.00 0.00 H ATOM 934 HG3 PRO V 70 7.276 1.521 1.912 1.00 0.00 H ATOM 935 HG2 PRO V 70 8.776 2.431 1.620 1.00 0.00 H ATOM 936 HB2 PRO V 70 8.729 2.446 3.945 1.00 0.00 H ATOM 937 HB3 PRO V 70 6.951 2.481 4.009 1.00 0.00 H ATOM 938 N THR V 71 9.938 5.137 4.483 1.00 25.47 N ATOM 939 CA THR V 71 11.319 5.616 4.498 1.00 27.81 C ATOM 940 C THR V 71 12.264 4.530 5.016 1.00 28.47 C ATOM 941 O THR V 71 13.426 4.469 4.614 1.00 32.15 O ATOM 942 CB THR V 71 11.440 6.875 5.359 1.00 28.81 C ATOM 943 OG1 THR V 71 11.081 6.604 6.701 1.00 30.56 O ATOM 944 CG2 THR V 71 10.565 8.012 4.876 1.00 24.74 C ATOM 945 HA THR V 71 11.604 5.862 3.475 1.00 0.00 H ATOM 946 HB THR V 71 12.485 7.177 5.283 1.00 0.00 H ATOM 947 HG1 THR V 71 11.167 7.431 7.238 1.00 0.00 H ATOM 948 HG23 THR V 71 10.816 8.248 3.842 1.00 0.00 H ATOM 949 HG21 THR V 71 9.518 7.715 4.939 1.00 0.00 H ATOM 950 HG22 THR V 71 10.733 8.889 5.501 1.00 0.00 H ATOM 951 H THR V 71 9.443 4.993 5.386 1.00 0.00 H ATOM 952 N GLU V 72 11.760 3.661 5.895 1.00 27.26 N ATOM 953 CA GLU V 72 12.558 2.563 6.448 1.00 28.56 C ATOM 954 C GLU V 72 11.826 1.239 6.239 1.00 30.76 C ATOM 955 O GLU V 72 10.636 1.237 5.921 1.00 26.98 O ATOM 956 CB GLU V 72 12.818 2.793 7.939 1.00 30.51 C ATOM 957 CG GLU V 72 13.991 1.990 8.480 1.00 41.88 C ATOM 958 CD GLU V 72 14.379 2.401 9.886 1.00 50.42 C ATOM 959 OE1 GLU V 72 14.783 3.568 10.074 1.00 48.69 O ATOM 960 OE2 GLU V 72 14.281 1.555 10.800 1.00 53.03 O ATOM 961 HA GLU V 72 13.517 2.527 5.932 1.00 0.00 H ATOM 962 HB2 GLU V 72 13.023 3.852 8.095 1.00 0.00 H ATOM 963 HB3 GLU V 72 11.922 2.513 8.493 1.00 0.00 H ATOM 964 HG2 GLU V 72 13.718 0.935 8.487 1.00 0.00 H ATOM 965 HG3 GLU V 72 14.848 2.138 7.823 1.00 0.00 H ATOM 966 H GLU V 72 10.770 3.766 6.197 1.00 0.00 H ATOM 967 N GLU V 73 12.533 0.116 6.397 1.00 29.52 N ATOM 968 CA GLU V 73 11.917 -1.198 6.200 1.00 27.80 C ATOM 969 C GLU V 73 12.442 -2.243 7.192 1.00 28.67 C ATOM 970 O GLU V 73 13.303 -1.958 8.025 1.00 28.45 O ATOM 971 CB GLU V 73 12.166 -1.680 4.768 1.00 23.36 C ATOM 972 CG GLU V 73 11.430 -0.864 3.719 1.00 28.84 C ATOM 973 CD GLU V 73 11.978 -1.079 2.322 1.00 36.82 C ATOM 974 OE1 GLU V 73 13.217 -1.065 2.162 1.00 37.95 O ATOM 975 OE2 GLU V 73 11.170 -1.260 1.388 1.00 43.84 O ATOM 976 HA GLU V 73 10.848 -1.084 6.378 1.00 0.00 H ATOM 977 HB2 GLU V 73 13.235 -1.621 4.564 1.00 0.00 H ATOM 978 HB3 GLU V 73 11.840 -2.717 4.691 1.00 0.00 H ATOM 979 HG2 GLU V 73 10.378 -1.149 3.729 1.00 0.00 H ATOM 980 HG3 GLU V 73 11.521 0.193 3.971 1.00 0.00 H ATOM 981 H GLU V 73 13.536 0.176 6.664 1.00 0.00 H ATOM 982 N SER V 74 11.908 -3.466 7.078 1.00 24.56 N ATOM 983 CA SER V 74 12.312 -4.574 7.942 1.00 27.91 C ATOM 984 C SER V 74 11.676 -5.883 7.481 1.00 27.84 C ATOM 985 O SER V 74 10.770 -5.880 6.650 1.00 27.88 O ATOM 986 CB SER V 74 11.923 -4.293 9.395 1.00 27.06 C ATOM 987 OG SER V 74 10.540 -4.011 9.510 1.00 28.46 O ATOM 988 HA SER V 74 13.396 -4.670 7.877 1.00 0.00 H ATOM 989 HB2 SER V 74 12.492 -3.436 9.756 1.00 0.00 H ATOM 990 HB3 SER V 74 12.160 -5.167 10.002 1.00 0.00 H ATOM 991 HG SER V 74 10.320 -3.215 8.964 1.00 0.00 H ATOM 992 H SER V 74 11.183 -3.633 6.352 1.00 0.00 H ATOM 993 N ASN V 75 12.156 -7.004 8.024 1.00 25.22 N ATOM 994 CA ASN V 75 11.637 -8.328 7.664 1.00 22.57 C ATOM 995 C ASN V 75 10.952 -9.002 8.854 1.00 21.68 C ATOM 996 O ASN V 75 11.309 -8.756 10.005 1.00 23.70 O ATOM 997 CB ASN V 75 12.772 -9.217 7.155 1.00 32.70 C ATOM 998 CG ASN V 75 13.328 -8.740 5.826 1.00 37.70 C ATOM 999 OD1 ASN V 75 12.828 -9.108 4.764 1.00 36.91 O ATOM 1000 ND2 ASN V 75 14.370 -7.916 5.879 1.00 43.53 N ATOM 1001 HA ASN V 75 10.897 -8.192 6.876 1.00 0.00 H ATOM 1002 HB2 ASN V 75 13.575 -9.216 7.892 1.00 0.00 H ATOM 1003 HB3 ASN V 75 12.394 -10.232 7.033 1.00 0.00 H ATOM 1004 HD22 ASN V 75 14.761 -7.631 6.799 1.00 0.00 H ATOM 1005 HD21 ASN V 75 14.794 -7.557 5.000 1.00 0.00 H ATOM 1006 H ASN V 75 12.922 -6.937 8.724 1.00 0.00 H ATOM 1007 N ILE V 76 9.968 -9.851 8.560 1.00 19.19 N ATOM 1008 CA ILE V 76 9.229 -10.560 9.601 1.00 16.71 C ATOM 1009 C ILE V 76 8.931 -12.005 9.179 1.00 17.89 C ATOM 1010 O ILE V 76 8.295 -12.242 8.154 1.00 19.29 O ATOM 1011 CB ILE V 76 7.907 -9.819 9.941 1.00 14.75 C ATOM 1012 CG1 ILE V 76 7.201 -10.483 11.127 1.00 17.42 C ATOM 1013 CG2 ILE V 76 6.978 -9.764 8.729 1.00 15.54 C ATOM 1014 CD1 ILE V 76 6.140 -9.611 11.763 1.00 18.82 C ATOM 1015 HA ILE V 76 9.855 -10.584 10.493 1.00 0.00 H ATOM 1016 HB ILE V 76 8.162 -8.796 10.219 1.00 0.00 H ATOM 1017 HG12 ILE V 76 6.729 -11.402 10.778 1.00 0.00 H ATOM 1018 HG13 ILE V 76 7.948 -10.724 11.883 1.00 0.00 H ATOM 1019 HD11 ILE V 76 6.598 -8.692 12.128 1.00 0.00 H ATOM 1020 HD12 ILE V 76 5.378 -9.370 11.022 1.00 0.00 H ATOM 1021 HD13 ILE V 76 5.683 -10.146 12.595 1.00 0.00 H ATOM 1022 HG21 ILE V 76 7.475 -9.235 7.916 1.00 0.00 H ATOM 1023 HG22 ILE V 76 6.737 -10.778 8.411 1.00 0.00 H ATOM 1024 HG23 ILE V 76 6.061 -9.239 8.999 1.00 0.00 H ATOM 1025 H ILE V 76 9.720 -10.013 7.563 1.00 0.00 H ATOM 1026 N THR V 77 9.395 -12.965 9.979 1.00 20.92 N ATOM 1027 CA THR V 77 9.173 -14.378 9.688 1.00 20.91 C ATOM 1028 C THR V 77 7.792 -14.824 10.164 1.00 21.17 C ATOM 1029 O THR V 77 7.321 -14.395 11.219 1.00 19.45 O ATOM 1030 CB THR V 77 10.254 -15.230 10.357 1.00 20.49 C ATOM 1031 OG1 THR V 77 11.504 -14.566 10.323 1.00 23.29 O ATOM 1032 CG2 THR V 77 10.437 -16.583 9.704 1.00 20.19 C ATOM 1033 HA THR V 77 9.225 -14.514 8.608 1.00 0.00 H ATOM 1034 HB THR V 77 9.913 -15.381 11.381 1.00 0.00 H ATOM 1035 HG1 THR V 77 12.189 -15.132 10.760 1.00 0.00 H ATOM 1036 HG23 THR V 77 9.489 -17.121 9.714 1.00 0.00 H ATOM 1037 HG21 THR V 77 10.768 -16.446 8.674 1.00 0.00 H ATOM 1038 HG22 THR V 77 11.186 -17.153 10.255 1.00 0.00 H ATOM 1039 H THR V 77 9.928 -12.701 10.832 1.00 0.00 H ATOM 1040 N MET V 78 7.145 -15.685 9.379 1.00 21.06 N ATOM 1041 CA MET V 78 5.815 -16.185 9.721 1.00 20.85 C ATOM 1042 C MET V 78 5.678 -17.663 9.370 1.00 19.66 C ATOM 1043 O MET V 78 6.438 -18.193 8.558 1.00 22.11 O ATOM 1044 CB MET V 78 4.740 -15.383 8.986 1.00 22.21 C ATOM 1045 CG MET V 78 4.619 -13.947 9.464 1.00 24.83 C ATOM 1046 SD MET V 78 4.054 -12.828 8.168 1.00 25.49 S ATOM 1047 CE MET V 78 3.457 -11.453 9.147 1.00 17.04 C ATOM 1048 HA MET V 78 5.681 -16.068 10.796 1.00 0.00 H ATOM 1049 HB2 MET V 78 4.983 -15.373 7.923 1.00 0.00 H ATOM 1050 HB3 MET V 78 3.780 -15.877 9.133 1.00 0.00 H ATOM 1051 HG2 MET V 78 5.596 -13.612 9.813 1.00 0.00 H ATOM 1052 HG3 MET V 78 3.908 -13.913 10.289 1.00 0.00 H ATOM 1053 HE1 MET V 78 2.659 -11.797 9.806 1.00 0.00 H ATOM 1054 HE2 MET V 78 4.276 -11.052 9.744 1.00 0.00 H ATOM 1055 HE3 MET V 78 3.074 -10.676 8.485 1.00 0.00 H ATOM 1056 H MET V 78 7.598 -16.009 8.501 1.00 0.00 H ATOM 1057 N GLN V 79 4.693 -18.321 9.976 1.00 18.85 N ATOM 1058 CA GLN V 79 4.443 -19.737 9.720 1.00 20.85 C ATOM 1059 C GLN V 79 3.335 -19.899 8.681 1.00 21.48 C ATOM 1060 O GLN V 79 2.214 -19.434 8.885 1.00 23.73 O ATOM 1061 CB GLN V 79 4.053 -20.454 11.014 1.00 20.75 C ATOM 1062 CG GLN V 79 5.217 -20.644 11.975 1.00 19.93 C ATOM 1063 CD GLN V 79 4.900 -21.626 13.087 1.00 21.54 C ATOM 1064 OE1 GLN V 79 3.782 -21.659 13.601 1.00 25.72 O ATOM 1065 NE2 GLN V 79 5.885 -22.435 13.465 1.00 25.09 N ATOM 1066 HA GLN V 79 5.359 -20.184 9.334 1.00 0.00 H ATOM 1067 HB2 GLN V 79 3.283 -19.868 11.515 1.00 0.00 H ATOM 1068 HB3 GLN V 79 3.652 -21.435 10.758 1.00 0.00 H ATOM 1069 HG2 GLN V 79 6.076 -21.015 11.415 1.00 0.00 H ATOM 1070 HG3 GLN V 79 5.464 -19.680 12.420 1.00 0.00 H ATOM 1071 HE22 GLN V 79 6.815 -22.373 13.003 1.00 0.00 H ATOM 1072 HE21 GLN V 79 5.726 -23.130 14.222 1.00 0.00 H ATOM 1073 H GLN V 79 4.085 -17.813 10.650 1.00 0.00 H ATOM 1074 N ILE V 80 3.656 -20.553 7.565 1.00 19.06 N ATOM 1075 CA ILE V 80 2.683 -20.765 6.490 1.00 23.90 C ATOM 1076 C ILE V 80 2.592 -22.242 6.112 1.00 24.16 C ATOM 1077 O ILE V 80 3.604 -22.939 6.044 1.00 24.64 O ATOM 1078 CB ILE V 80 3.038 -19.953 5.220 1.00 27.40 C ATOM 1079 CG1 ILE V 80 3.420 -18.510 5.573 1.00 27.18 C ATOM 1080 CG2 ILE V 80 1.869 -19.965 4.247 1.00 25.74 C ATOM 1081 CD1 ILE V 80 2.318 -17.742 6.270 1.00 21.61 C ATOM 1082 HA ILE V 80 1.723 -20.422 6.875 1.00 0.00 H ATOM 1083 HB ILE V 80 3.900 -20.423 4.747 1.00 0.00 H ATOM 1084 HG12 ILE V 80 4.290 -18.535 6.229 1.00 0.00 H ATOM 1085 HG13 ILE V 80 3.675 -17.986 4.652 1.00 0.00 H ATOM 1086 HD11 ILE V 80 1.442 -17.697 5.622 1.00 0.00 H ATOM 1087 HD12 ILE V 80 2.058 -18.246 7.201 1.00 0.00 H ATOM 1088 HD13 ILE V 80 2.663 -16.731 6.487 1.00 0.00 H ATOM 1089 HG21 ILE V 80 1.645 -20.993 3.963 1.00 0.00 H ATOM 1090 HG22 ILE V 80 0.996 -19.520 4.724 1.00 0.00 H ATOM 1091 HG23 ILE V 80 2.132 -19.391 3.359 1.00 0.00 H ATOM 1092 H ILE V 80 4.622 -20.922 7.454 1.00 0.00 H ATOM 1093 N MET V 81 1.371 -22.709 5.865 1.00 23.63 N ATOM 1094 CA MET V 81 1.144 -24.101 5.490 1.00 25.49 C ATOM 1095 C MET V 81 0.995 -24.241 3.977 1.00 26.34 C ATOM 1096 O MET V 81 -0.036 -23.874 3.412 1.00 25.53 O ATOM 1097 CB MET V 81 -0.111 -24.640 6.184 1.00 27.62 C ATOM 1098 CG MET V 81 -0.238 -26.155 6.111 1.00 37.06 C ATOM 1099 SD MET V 81 -1.948 -26.716 5.981 1.00 40.87 S ATOM 1100 CE MET V 81 -2.727 -25.779 7.293 1.00 39.81 C ATOM 1101 HA MET V 81 2.010 -24.681 5.810 1.00 0.00 H ATOM 1102 HB2 MET V 81 -0.080 -24.346 7.233 1.00 0.00 H ATOM 1103 HB3 MET V 81 -0.986 -24.196 5.710 1.00 0.00 H ATOM 1104 HG2 MET V 81 0.201 -26.584 7.012 1.00 0.00 H ATOM 1105 HG3 MET V 81 0.311 -26.508 5.238 1.00 0.00 H ATOM 1106 HE1 MET V 81 -2.260 -26.032 8.245 1.00 0.00 H ATOM 1107 HE2 MET V 81 -2.605 -24.713 7.098 1.00 0.00 H ATOM 1108 HE3 MET V 81 -3.789 -26.024 7.332 1.00 0.00 H ATOM 1109 H MET V 81 0.557 -22.066 5.941 1.00 0.00 H ATOM 1110 N ARG V 82 2.025 -24.781 3.325 1.00 22.68 N ATOM 1111 CA ARG V 82 1.995 -24.974 1.877 1.00 26.03 C ATOM 1112 C ARG V 82 1.322 -26.299 1.530 1.00 29.02 C ATOM 1113 O ARG V 82 1.742 -27.361 1.993 1.00 26.53 O ATOM 1114 CB ARG V 82 3.412 -24.924 1.294 1.00 28.90 C ATOM 1115 CG ARG V 82 4.331 -26.021 1.812 1.00 29.08 C ATOM 1116 CD ARG V 82 5.756 -25.830 1.313 1.00 32.85 C ATOM 1117 NE ARG V 82 6.621 -26.963 1.653 1.00 34.24 N ATOM 1118 CZ ARG V 82 6.706 -28.092 0.937 1.00 29.89 C ATOM 1119 NH1 ARG V 82 5.973 -28.270 -0.162 1.00 31.52 N ATOM 1120 NH2 ARG V 82 7.532 -29.053 1.327 1.00 30.29 N ATOM 1121 HA ARG V 82 1.415 -24.164 1.435 1.00 0.00 H ATOM 1122 HB2 ARG V 82 3.341 -25.018 0.210 1.00 0.00 H ATOM 1123 HB3 ARG V 82 3.853 -23.959 1.545 1.00 0.00 H ATOM 1124 HG2 ARG V 82 4.330 -26.000 2.902 1.00 0.00 H ATOM 1125 HG3 ARG V 82 3.961 -26.987 1.468 1.00 0.00 H ATOM 1126 HD2 ARG V 82 6.167 -24.927 1.764 1.00 0.00 H ATOM 1127 HD3 ARG V 82 5.736 -25.717 0.229 1.00 0.00 H ATOM 1128 HE ARG V 82 7.208 -26.885 2.508 1.00 0.00 H ATOM 1129 HH12 ARG V 82 6.054 -29.154 -0.704 1.00 0.00 H ATOM 1130 HH11 ARG V 82 5.320 -27.525 -0.478 1.00 0.00 H ATOM 1131 HH22 ARG V 82 7.604 -29.932 0.776 1.00 0.00 H ATOM 1132 HH21 ARG V 82 8.108 -28.927 2.184 1.00 0.00 H ATOM 1133 H ARG V 82 2.869 -25.071 3.859 1.00 0.00 H ATOM 1134 N ILE V 83 0.262 -26.226 0.722 1.00 28.50 N ATOM 1135 CA ILE V 83 -0.490 -27.417 0.317 1.00 33.90 C ATOM 1136 C ILE V 83 -0.548 -27.549 -1.209 1.00 36.63 C ATOM 1137 O ILE V 83 -0.832 -26.578 -1.908 1.00 33.08 O ATOM 1138 CB ILE V 83 -1.939 -27.385 0.869 1.00 35.04 C ATOM 1139 CG1 ILE V 83 -1.956 -27.025 2.359 1.00 32.40 C ATOM 1140 CG2 ILE V 83 -2.624 -28.729 0.650 1.00 32.49 C ATOM 1141 CD1 ILE V 83 -3.308 -26.548 2.843 1.00 27.01 C ATOM 1142 HA ILE V 83 0.037 -28.275 0.734 1.00 0.00 H ATOM 1143 HB ILE V 83 -2.485 -26.615 0.324 1.00 0.00 H ATOM 1144 HG12 ILE V 83 -1.675 -27.908 2.932 1.00 0.00 H ATOM 1145 HG13 ILE V 83 -1.227 -26.234 2.533 1.00 0.00 H ATOM 1146 HD11 ILE V 83 -3.599 -25.657 2.286 1.00 0.00 H ATOM 1147 HD12 ILE V 83 -4.047 -27.334 2.686 1.00 0.00 H ATOM 1148 HD13 ILE V 83 -3.249 -26.310 3.905 1.00 0.00 H ATOM 1149 HG21 ILE V 83 -2.656 -28.950 -0.417 1.00 0.00 H ATOM 1150 HG22 ILE V 83 -2.065 -29.509 1.167 1.00 0.00 H ATOM 1151 HG23 ILE V 83 -3.639 -28.686 1.044 1.00 0.00 H ATOM 1152 H ILE V 83 -0.040 -25.295 0.369 1.00 0.00 H ATOM 1153 N LYS V 84 -0.276 -28.757 -1.705 1.00 42.34 N ATOM 1154 CA LYS V 84 -0.296 -29.020 -3.152 1.00 48.29 C ATOM 1155 C LYS V 84 -1.388 -30.034 -3.529 1.00 55.07 C ATOM 1156 O LYS V 84 -1.582 -31.025 -2.822 1.00 53.34 O ATOM 1157 CB LYS V 84 1.062 -29.543 -3.618 1.00 46.22 C ATOM 1158 CG LYS V 84 1.278 -29.347 -5.107 1.00 39.33 C ATOM 1159 CD LYS V 84 2.734 -29.524 -5.502 1.00 39.44 C ATOM 1160 CE LYS V 84 3.239 -30.925 -5.202 1.00 38.90 C ATOM 1161 NZ LYS V 84 4.532 -31.202 -5.887 1.00 37.73 N ATOM 1162 HA LYS V 84 -0.516 -28.075 -3.649 1.00 0.00 H ATOM 1163 HB2 LYS V 84 1.846 -29.012 -3.078 1.00 0.00 H ATOM 1164 HB3 LYS V 84 1.124 -30.608 -3.392 1.00 0.00 H ATOM 1165 HG2 LYS V 84 0.676 -30.076 -5.649 1.00 0.00 H ATOM 1166 HG3 LYS V 84 0.960 -28.341 -5.379 1.00 0.00 H ATOM 1167 HD2 LYS V 84 2.834 -29.335 -6.571 1.00 0.00 H ATOM 1168 HD3 LYS V 84 3.339 -28.806 -4.949 1.00 0.00 H ATOM 1169 HE2 LYS V 84 2.497 -31.648 -5.541 1.00 0.00 H ATOM 1170 HE3 LYS V 84 3.380 -31.027 -4.126 1.00 0.00 H ATOM 1171 HZ1 LYS V 84 4.404 -31.112 -6.915 1.00 0.00 H ATOM 1172 HZ2 LYS V 84 5.247 -30.519 -5.564 1.00 0.00 H ATOM 1173 HZ3 LYS V 84 4.844 -32.167 -5.658 1.00 0.00 H ATOM 1174 H LYS V 84 -0.044 -29.533 -1.052 1.00 0.00 H ATOM 1175 N PRO V 85 -2.130 -29.810 -4.654 1.00 61.70 N ATOM 1176 CA PRO V 85 -3.193 -30.731 -5.083 1.00 63.34 C ATOM 1177 C PRO V 85 -2.682 -32.151 -5.338 1.00 64.98 C ATOM 1178 O PRO V 85 -1.634 -32.343 -5.954 1.00 65.56 O ATOM 1179 CB PRO V 85 -3.720 -30.112 -6.388 1.00 68.37 C ATOM 1180 CG PRO V 85 -3.312 -28.683 -6.329 1.00 67.86 C ATOM 1181 CD PRO V 85 -2.004 -28.664 -5.586 1.00 65.70 C ATOM 1182 HA PRO V 85 -3.955 -30.839 -4.311 1.00 0.00 H ATOM 1183 HD3 PRO V 85 -1.165 -28.804 -6.267 1.00 0.00 H ATOM 1184 HD2 PRO V 85 -1.877 -27.728 -5.041 1.00 0.00 H ATOM 1185 HG3 PRO V 85 -4.060 -28.095 -5.797 1.00 0.00 H ATOM 1186 HG2 PRO V 85 -3.184 -28.282 -7.334 1.00 0.00 H ATOM 1187 HB2 PRO V 85 -3.273 -30.603 -7.253 1.00 0.00 H ATOM 1188 HB3 PRO V 85 -4.805 -30.199 -6.443 1.00 0.00 H ATOM 1189 N HIS V 86 -3.446 -33.139 -4.856 1.00 65.55 N ATOM 1190 CA HIS V 86 -3.114 -34.564 -5.020 1.00 67.37 C ATOM 1191 C HIS V 86 -1.823 -34.983 -4.286 1.00 66.73 C ATOM 1192 O HIS V 86 -1.348 -36.098 -4.494 1.00 65.90 O ATOM 1193 CB HIS V 86 -2.993 -34.922 -6.510 1.00 73.07 C ATOM 1194 CG HIS V 86 -4.307 -35.205 -7.170 1.00 78.17 C ATOM 1195 ND1 HIS V 86 -4.479 -36.194 -8.116 1.00 78.80 N ATOM 1196 CD2 HIS V 86 -5.521 -34.619 -7.017 1.00 79.03 C ATOM 1197 CE1 HIS V 86 -5.738 -36.202 -8.519 1.00 78.80 C ATOM 1198 NE2 HIS V 86 -6.389 -35.257 -7.867 1.00 81.65 N ATOM 1199 HA HIS V 86 -3.936 -35.116 -4.565 1.00 0.00 H ATOM 1200 HB2 HIS V 86 -2.520 -34.087 -7.027 1.00 0.00 H ATOM 1201 HB3 HIS V 86 -2.364 -35.807 -6.601 1.00 0.00 H ATOM 1202 HD2 HIS V 86 -5.762 -33.796 -6.345 1.00 0.00 H ATOM 1203 HE1 HIS V 86 -6.166 -36.874 -9.263 1.00 0.00 H ATOM 1204 H HIS V 86 -4.314 -32.888 -4.342 1.00 0.00 H ATOM 1205 N GLN V 87 -1.245 -34.102 -3.459 1.00 67.29 N ATOM 1206 CA GLN V 87 -0.008 -34.417 -2.743 1.00 64.97 C ATOM 1207 C GLN V 87 -0.246 -34.326 -1.209 1.00 61.54 C ATOM 1208 O GLN V 87 -1.148 -35.007 -0.717 1.00 63.28 O ATOM 1209 CB GLN V 87 1.100 -33.485 -3.258 1.00 68.32 C ATOM 1210 CG GLN V 87 2.505 -34.008 -3.008 1.00 68.50 C ATOM 1211 CD GLN V 87 3.044 -34.805 -4.182 1.00 69.03 C ATOM 1212 OE1 GLN V 87 3.304 -34.257 -5.252 1.00 69.28 O ATOM 1213 NE2 GLN V 87 3.214 -36.110 -3.988 1.00 57.72 N ATOM 1214 HA GLN V 87 0.314 -35.441 -2.932 1.00 0.00 H ATOM 1215 HB2 GLN V 87 0.968 -33.354 -4.332 1.00 0.00 H ATOM 1216 HB3 GLN V 87 0.998 -32.521 -2.760 1.00 0.00 H ATOM 1217 HG2 GLN V 87 3.167 -33.161 -2.826 1.00 0.00 H ATOM 1218 HG3 GLN V 87 2.488 -34.650 -2.127 1.00 0.00 H ATOM 1219 HE22 GLN V 87 2.982 -36.533 -3.067 1.00 0.00 H ATOM 1220 HE21 GLN V 87 3.579 -36.707 -4.757 1.00 0.00 H ATOM 1221 H GLN V 87 -1.686 -33.170 -3.322 1.00 0.00 H ATOM 1222 N GLY V 88 0.532 -33.518 -0.444 1.00 55.55 N ATOM 1223 CA GLY V 88 0.315 -33.427 1.001 1.00 50.17 C ATOM 1224 C GLY V 88 0.307 -31.991 1.498 1.00 43.42 C ATOM 1225 O GLY V 88 -0.028 -31.077 0.744 1.00 40.90 O ATOM 1226 HA3 GLY V 88 1.112 -33.969 1.510 1.00 0.00 H ATOM 1227 HA2 GLY V 88 -0.644 -33.886 1.240 1.00 0.00 H ATOM 1228 H GLY V 88 1.288 -32.959 -0.888 1.00 0.00 H ATOM 1229 N GLN V 89 0.682 -31.793 2.761 1.00 41.25 N ATOM 1230 CA GLN V 89 0.727 -30.460 3.362 1.00 40.25 C ATOM 1231 C GLN V 89 2.014 -30.320 4.171 1.00 38.52 C ATOM 1232 O GLN V 89 2.647 -31.323 4.503 1.00 36.80 O ATOM 1233 CB GLN V 89 -0.489 -30.234 4.272 1.00 45.54 C ATOM 1234 CG GLN V 89 -1.817 -30.657 3.656 1.00 60.10 C ATOM 1235 CD GLN V 89 -2.857 -31.016 4.700 1.00 66.90 C ATOM 1236 OE1 GLN V 89 -3.533 -32.040 4.591 1.00 72.17 O ATOM 1237 NE2 GLN V 89 -2.991 -30.177 5.722 1.00 66.90 N ATOM 1238 HA GLN V 89 0.704 -29.712 2.570 1.00 0.00 H ATOM 1239 HB2 GLN V 89 -0.340 -30.804 5.189 1.00 0.00 H ATOM 1240 HB3 GLN V 89 -0.545 -29.172 4.510 1.00 0.00 H ATOM 1241 HG2 GLN V 89 -2.199 -29.835 3.051 1.00 0.00 H ATOM 1242 HG3 GLN V 89 -1.646 -31.526 3.020 1.00 0.00 H ATOM 1243 HE22 GLN V 89 -2.399 -29.323 5.775 1.00 0.00 H ATOM 1244 HE21 GLN V 89 -3.687 -30.374 6.469 1.00 0.00 H ATOM 1245 H GLN V 89 0.952 -32.614 3.339 1.00 0.00 H ATOM 1246 N HIS V 90 2.406 -29.085 4.487 1.00 30.16 N ATOM 1247 CA HIS V 90 3.631 -28.855 5.256 1.00 26.80 C ATOM 1248 C HIS V 90 3.716 -27.411 5.766 1.00 23.14 C ATOM 1249 O HIS V 90 3.222 -26.480 5.128 1.00 22.13 O ATOM 1250 CB HIS V 90 4.857 -29.203 4.386 1.00 28.84 C ATOM 1251 CG HIS V 90 5.713 -30.293 4.959 1.00 37.61 C ATOM 1252 ND1 HIS V 90 6.209 -31.336 4.205 1.00 39.79 N ATOM 1253 CD2 HIS V 90 6.159 -30.498 6.221 1.00 35.51 C ATOM 1254 CE1 HIS V 90 6.924 -32.136 4.977 1.00 37.08 C ATOM 1255 NE2 HIS V 90 6.909 -31.649 6.205 1.00 32.52 N ATOM 1256 HA HIS V 90 3.615 -29.503 6.133 1.00 0.00 H ATOM 1257 HB2 HIS V 90 4.504 -29.522 3.405 1.00 0.00 H ATOM 1258 HB3 HIS V 90 5.468 -28.307 4.277 1.00 0.00 H ATOM 1259 HD2 HIS V 90 5.960 -29.868 7.088 1.00 0.00 H ATOM 1260 HE1 HIS V 90 7.438 -33.042 4.656 1.00 0.00 H ATOM 1261 H HIS V 90 1.833 -28.272 4.183 1.00 0.00 H ATOM 1262 N ILE V 91 4.366 -27.241 6.917 1.00 21.74 N ATOM 1263 CA ILE V 91 4.547 -25.923 7.516 1.00 20.39 C ATOM 1264 C ILE V 91 5.941 -25.390 7.196 1.00 22.91 C ATOM 1265 O ILE V 91 6.937 -26.092 7.377 1.00 22.73 O ATOM 1266 CB ILE V 91 4.361 -25.961 9.053 1.00 19.29 C ATOM 1267 CG1 ILE V 91 3.065 -26.694 9.423 1.00 20.85 C ATOM 1268 CG2 ILE V 91 4.362 -24.550 9.631 1.00 19.00 C ATOM 1269 CD1 ILE V 91 1.809 -26.006 8.928 1.00 23.79 C ATOM 1270 HA ILE V 91 3.787 -25.266 7.093 1.00 0.00 H ATOM 1271 HB ILE V 91 5.200 -26.508 9.484 1.00 0.00 H ATOM 1272 HG12 ILE V 91 3.101 -27.695 8.992 1.00 0.00 H ATOM 1273 HG13 ILE V 91 3.011 -26.769 10.509 1.00 0.00 H ATOM 1274 HD11 ILE V 91 1.750 -25.007 9.359 1.00 0.00 H ATOM 1275 HD12 ILE V 91 1.841 -25.933 7.841 1.00 0.00 H ATOM 1276 HD13 ILE V 91 0.936 -26.585 9.229 1.00 0.00 H ATOM 1277 HG21 ILE V 91 5.311 -24.066 9.402 1.00 0.00 H ATOM 1278 HG22 ILE V 91 3.545 -23.978 9.191 1.00 0.00 H ATOM 1279 HG23 ILE V 91 4.230 -24.601 10.712 1.00 0.00 H ATOM 1280 H ILE V 91 4.756 -28.073 7.403 1.00 0.00 H ATOM 1281 N GLY V 92 6.006 -24.148 6.714 1.00 23.71 N ATOM 1282 CA GLY V 92 7.283 -23.542 6.367 1.00 25.28 C ATOM 1283 C GLY V 92 7.439 -22.140 6.926 1.00 30.60 C ATOM 1284 O GLY V 92 6.457 -21.510 7.318 1.00 28.06 O ATOM 1285 HA3 GLY V 92 7.363 -23.495 5.281 1.00 0.00 H ATOM 1286 HA2 GLY V 92 8.084 -24.166 6.763 1.00 0.00 H ATOM 1287 H GLY V 92 5.130 -23.604 6.584 1.00 0.00 H ATOM 1288 N GLU V 93 8.675 -21.653 6.956 1.00 26.91 N ATOM 1289 CA GLU V 93 8.963 -20.316 7.461 1.00 30.60 C ATOM 1290 C GLU V 93 9.109 -19.331 6.307 1.00 29.58 C ATOM 1291 O GLU V 93 9.932 -19.528 5.414 1.00 32.17 O ATOM 1292 CB GLU V 93 10.241 -20.332 8.306 1.00 28.12 C ATOM 1293 CG GLU V 93 10.167 -21.276 9.495 1.00 32.39 C ATOM 1294 CD GLU V 93 11.453 -21.305 10.298 1.00 32.67 C ATOM 1295 OE1 GLU V 93 12.524 -21.535 9.697 1.00 30.48 O ATOM 1296 OE2 GLU V 93 11.389 -21.096 11.528 1.00 32.48 O ATOM 1297 HA GLU V 93 8.131 -19.996 8.088 1.00 0.00 H ATOM 1298 HB2 GLU V 93 11.072 -20.640 7.671 1.00 0.00 H ATOM 1299 HB3 GLU V 93 10.423 -19.323 8.676 1.00 0.00 H ATOM 1300 HG2 GLU V 93 9.355 -20.954 10.147 1.00 0.00 H ATOM 1301 HG3 GLU V 93 9.960 -22.282 9.130 1.00 0.00 H ATOM 1302 H GLU V 93 9.459 -22.242 6.610 1.00 0.00 H ATOM 1303 N MET V 94 8.300 -18.274 6.326 1.00 27.52 N ATOM 1304 CA MET V 94 8.335 -17.258 5.272 1.00 24.89 C ATOM 1305 C MET V 94 8.545 -15.867 5.861 1.00 26.54 C ATOM 1306 O MET V 94 7.841 -15.461 6.785 1.00 25.12 O ATOM 1307 CB MET V 94 7.033 -17.288 4.469 1.00 28.07 C ATOM 1308 CG MET V 94 6.745 -18.640 3.840 1.00 30.85 C ATOM 1309 SD MET V 94 7.448 -18.802 2.188 1.00 33.81 S ATOM 1310 CE MET V 94 5.966 -18.748 1.183 1.00 19.26 C ATOM 1311 HA MET V 94 9.172 -17.484 4.612 1.00 0.00 H ATOM 1312 HB2 MET V 94 6.209 -17.034 5.136 1.00 0.00 H ATOM 1313 HB3 MET V 94 7.099 -16.544 3.675 1.00 0.00 H ATOM 1314 HG2 MET V 94 5.665 -18.771 3.774 1.00 0.00 H ATOM 1315 HG3 MET V 94 7.166 -19.418 4.477 1.00 0.00 H ATOM 1316 HE1 MET V 94 5.310 -19.573 1.461 1.00 0.00 H ATOM 1317 HE2 MET V 94 5.451 -17.801 1.347 1.00 0.00 H ATOM 1318 HE3 MET V 94 6.238 -18.837 0.131 1.00 0.00 H ATOM 1319 H MET V 94 7.625 -18.167 7.110 1.00 0.00 H ATOM 1320 N SER V 95 9.517 -15.143 5.316 1.00 24.42 N ATOM 1321 CA SER V 95 9.825 -13.794 5.783 1.00 25.66 C ATOM 1322 C SER V 95 9.261 -12.749 4.821 1.00 23.92 C ATOM 1323 O SER V 95 9.462 -12.836 3.611 1.00 25.40 O ATOM 1324 CB SER V 95 11.343 -13.619 5.926 1.00 22.91 C ATOM 1325 OG SER V 95 11.658 -12.808 7.044 1.00 33.51 O ATOM 1326 HA SER V 95 9.359 -13.651 6.758 1.00 0.00 H ATOM 1327 HB2 SER V 95 11.735 -13.150 5.023 1.00 0.00 H ATOM 1328 HB3 SER V 95 11.804 -14.598 6.054 1.00 0.00 H ATOM 1329 HG SER V 95 12.641 -12.711 7.114 1.00 0.00 H ATOM 1330 H SER V 95 10.073 -15.548 4.536 1.00 0.00 H ATOM 1331 N PHE V 96 8.556 -11.760 5.368 1.00 22.47 N ATOM 1332 CA PHE V 96 7.962 -10.694 4.560 1.00 21.67 C ATOM 1333 C PHE V 96 8.535 -9.339 4.960 1.00 22.75 C ATOM 1334 O PHE V 96 9.034 -9.173 6.071 1.00 21.39 O ATOM 1335 CB PHE V 96 6.440 -10.685 4.729 1.00 19.19 C ATOM 1336 CG PHE V 96 5.778 -11.954 4.269 1.00 18.62 C ATOM 1337 CD1 PHE V 96 5.790 -13.086 5.066 1.00 21.41 C ATOM 1338 CD2 PHE V 96 5.145 -12.015 3.041 1.00 22.40 C ATOM 1339 CE1 PHE V 96 5.183 -14.253 4.644 1.00 20.38 C ATOM 1340 CE2 PHE V 96 4.536 -13.179 2.614 1.00 24.54 C ATOM 1341 CZ PHE V 96 4.556 -14.300 3.417 1.00 23.19 C ATOM 1342 HA PHE V 96 8.202 -10.882 3.514 1.00 0.00 H ATOM 1343 HB2 PHE V 96 6.211 -10.539 5.785 1.00 0.00 H ATOM 1344 HB3 PHE V 96 6.033 -9.855 4.152 1.00 0.00 H ATOM 1345 HD2 PHE V 96 5.126 -11.133 2.401 1.00 0.00 H ATOM 1346 HE2 PHE V 96 4.040 -13.211 1.644 1.00 0.00 H ATOM 1347 HZ PHE V 96 4.078 -15.220 3.083 1.00 0.00 H ATOM 1348 HE1 PHE V 96 5.200 -15.137 5.281 1.00 0.00 H ATOM 1349 HD1 PHE V 96 6.284 -13.056 6.037 1.00 0.00 H ATOM 1350 H PHE V 96 8.424 -11.745 6.399 1.00 0.00 H ATOM 1351 N LEU V 97 8.471 -8.379 4.043 1.00 20.56 N ATOM 1352 CA LEU V 97 8.996 -7.038 4.295 1.00 24.42 C ATOM 1353 C LEU V 97 7.899 -6.098 4.793 1.00 21.90 C ATOM 1354 O LEU V 97 6.801 -6.071 4.239 1.00 22.02 O ATOM 1355 CB LEU V 97 9.621 -6.476 3.017 1.00 24.26 C ATOM 1356 CG LEU V 97 10.423 -5.190 3.211 1.00 27.32 C ATOM 1357 CD1 LEU V 97 11.818 -5.508 3.728 1.00 31.58 C ATOM 1358 CD2 LEU V 97 10.502 -4.408 1.908 1.00 27.02 C ATOM 1359 HA LEU V 97 9.757 -7.112 5.072 1.00 0.00 H ATOM 1360 HB2 LEU V 97 10.287 -7.233 2.603 1.00 0.00 H ATOM 1361 HB3 LEU V 97 8.819 -6.273 2.307 1.00 0.00 H ATOM 1362 HG LEU V 97 9.913 -4.573 3.951 1.00 0.00 H ATOM 1363 HD21 LEU V 97 10.990 -5.019 1.148 1.00 0.00 H ATOM 1364 HD22 LEU V 97 9.495 -4.151 1.578 1.00 0.00 H ATOM 1365 HD23 LEU V 97 11.077 -3.496 2.067 1.00 0.00 H ATOM 1366 HD11 LEU V 97 11.740 -6.026 4.684 1.00 0.00 H ATOM 1367 HD12 LEU V 97 12.334 -6.144 3.009 1.00 0.00 H ATOM 1368 HD13 LEU V 97 12.375 -4.581 3.860 1.00 0.00 H ATOM 1369 H LEU V 97 8.036 -8.587 3.122 1.00 0.00 H ATOM 1370 N GLN V 98 8.202 -5.324 5.837 1.00 20.00 N ATOM 1371 CA GLN V 98 7.238 -4.374 6.404 1.00 17.91 C ATOM 1372 C GLN V 98 7.805 -2.956 6.387 1.00 21.86 C ATOM 1373 O GLN V 98 8.988 -2.754 6.104 1.00 22.17 O ATOM 1374 CB GLN V 98 6.892 -4.751 7.844 1.00 18.24 C ATOM 1375 CG GLN V 98 6.464 -6.197 8.016 1.00 18.23 C ATOM 1376 CD GLN V 98 5.886 -6.466 9.393 1.00 17.45 C ATOM 1377 OE1 GLN V 98 4.763 -6.953 9.523 1.00 18.68 O ATOM 1378 NE2 GLN V 98 6.654 -6.150 10.433 1.00 19.34 N ATOM 1379 HA GLN V 98 6.337 -4.413 5.792 1.00 0.00 H ATOM 1380 HB2 GLN V 98 7.771 -4.577 8.465 1.00 0.00 H ATOM 1381 HB3 GLN V 98 6.078 -4.109 8.181 1.00 0.00 H ATOM 1382 HG2 GLN V 98 5.708 -6.431 7.266 1.00 0.00 H ATOM 1383 HG3 GLN V 98 7.332 -6.840 7.868 1.00 0.00 H ATOM 1384 HE22 GLN V 98 7.597 -5.740 10.277 1.00 0.00 H ATOM 1385 HE21 GLN V 98 6.311 -6.313 11.401 1.00 0.00 H ATOM 1386 H GLN V 98 9.149 -5.396 6.261 1.00 0.00 H ATOM 1387 N HIS V 99 6.955 -1.982 6.708 1.00 19.16 N ATOM 1388 CA HIS V 99 7.363 -0.581 6.749 1.00 18.12 C ATOM 1389 C HIS V 99 7.486 -0.103 8.195 1.00 20.77 C ATOM 1390 O HIS V 99 6.534 -0.190 8.974 1.00 22.28 O ATOM 1391 CB HIS V 99 6.355 0.286 5.989 1.00 19.03 C ATOM 1392 CG HIS V 99 6.196 -0.104 4.551 1.00 19.86 C ATOM 1393 ND1 HIS V 99 5.312 0.521 3.694 1.00 18.07 N ATOM 1394 CD2 HIS V 99 6.809 -1.066 3.816 1.00 16.80 C ATOM 1395 CE1 HIS V 99 5.388 -0.039 2.500 1.00 19.28 C ATOM 1396 NE2 HIS V 99 6.287 -1.003 2.547 1.00 20.20 N ATOM 1397 HA HIS V 99 8.337 -0.489 6.269 1.00 0.00 H ATOM 1398 HB2 HIS V 99 5.386 0.199 6.480 1.00 0.00 H ATOM 1399 HB3 HIS V 99 6.690 1.322 6.031 1.00 0.00 H ATOM 1400 HD2 HIS V 99 7.573 -1.759 4.167 1.00 0.00 H ATOM 1401 HE1 HIS V 99 4.806 0.247 1.624 1.00 0.00 H ATOM 1402 H HIS V 99 5.970 -2.227 6.936 1.00 0.00 H ATOM 1403 N ASN V 100 8.670 0.391 8.550 1.00 20.31 N ATOM 1404 CA ASN V 100 8.925 0.872 9.903 1.00 21.30 C ATOM 1405 C ASN V 100 8.609 2.358 10.035 1.00 22.42 C ATOM 1406 O ASN V 100 7.990 2.783 11.010 1.00 22.11 O ATOM 1407 CB ASN V 100 10.384 0.619 10.284 1.00 22.57 C ATOM 1408 CG ASN V 100 10.680 -0.855 10.472 1.00 23.44 C ATOM 1409 OD1 ASN V 100 11.395 -1.460 9.676 1.00 24.17 O ATOM 1410 ND2 ASN V 100 10.127 -1.444 11.530 1.00 23.29 N ATOM 1411 HA ASN V 100 8.270 0.324 10.580 1.00 0.00 H ATOM 1412 HB2 ASN V 100 11.026 1.008 9.494 1.00 0.00 H ATOM 1413 HB3 ASN V 100 10.599 1.142 11.216 1.00 0.00 H ATOM 1414 HD22 ASN V 100 9.528 -0.893 12.178 1.00 0.00 H ATOM 1415 HD21 ASN V 100 10.294 -2.455 11.709 1.00 0.00 H ATOM 1416 H ASN V 100 9.433 0.435 7.844 1.00 0.00 H ATOM 1417 N LYS V 101 9.044 3.140 9.054 1.00 23.60 N ATOM 1418 CA LYS V 101 8.819 4.585 9.060 1.00 23.04 C ATOM 1419 C LYS V 101 8.084 5.029 7.798 1.00 23.90 C ATOM 1420 O LYS V 101 8.284 4.467 6.721 1.00 22.19 O ATOM 1421 CB LYS V 101 10.157 5.322 9.169 1.00 21.43 C ATOM 1422 CG LYS V 101 10.940 4.981 10.435 1.00 31.70 C ATOM 1423 CD LYS V 101 10.937 6.129 11.454 1.00 42.57 C ATOM 1424 CE LYS V 101 10.112 5.799 12.693 1.00 45.78 C ATOM 1425 NZ LYS V 101 10.918 5.087 13.725 1.00 49.66 N ATOM 1426 HA LYS V 101 8.199 4.830 9.922 1.00 0.00 H ATOM 1427 HB2 LYS V 101 10.767 5.059 8.305 1.00 0.00 H ATOM 1428 HB3 LYS V 101 9.962 6.394 9.162 1.00 0.00 H ATOM 1429 HG2 LYS V 101 10.492 4.101 10.897 1.00 0.00 H ATOM 1430 HG3 LYS V 101 11.971 4.760 10.160 1.00 0.00 H ATOM 1431 HD2 LYS V 101 11.964 6.330 11.759 1.00 0.00 H ATOM 1432 HD3 LYS V 101 10.519 7.018 10.981 1.00 0.00 H ATOM 1433 HE2 LYS V 101 9.275 5.165 12.401 1.00 0.00 H ATOM 1434 HE3 LYS V 101 9.732 6.727 13.121 1.00 0.00 H ATOM 1435 HZ1 LYS V 101 11.279 4.197 13.327 1.00 0.00 H ATOM 1436 HZ2 LYS V 101 11.716 5.688 14.015 1.00 0.00 H ATOM 1437 HZ3 LYS V 101 10.319 4.882 14.550 1.00 0.00 H ATOM 1438 H LYS V 101 9.560 2.713 8.258 1.00 0.00 H ATOM 1439 N CYS V 102 7.233 6.045 7.939 1.00 19.72 N ATOM 1440 CA CYS V 102 6.466 6.580 6.807 1.00 20.21 C ATOM 1441 C CYS V 102 6.683 8.083 6.682 1.00 20.99 C ATOM 1442 O CYS V 102 6.987 8.745 7.677 1.00 23.04 O ATOM 1443 CB CYS V 102 4.971 6.284 6.985 1.00 21.66 C ATOM 1444 SG CYS V 102 4.596 4.570 7.488 1.00 24.96 S ATOM 1445 HA CYS V 102 6.816 6.094 5.896 1.00 0.00 H ATOM 1446 HB2 CYS V 102 4.469 6.479 6.037 1.00 0.00 H ATOM 1447 HB3 CYS V 102 4.578 6.957 7.747 1.00 0.00 H ATOM 1448 H CYS V 102 7.108 6.472 8.879 1.00 0.00 H ATOM 1449 N GLU V 103 6.531 8.626 5.466 1.00 22.70 N ATOM 1450 CA GLU V 103 6.714 10.050 5.237 1.00 25.14 C ATOM 1451 C GLU V 103 6.147 10.448 3.868 1.00 25.78 C ATOM 1452 O GLU V 103 6.079 9.623 2.950 1.00 23.24 O ATOM 1453 CB GLU V 103 8.198 10.407 5.315 1.00 28.75 C ATOM 1454 CG GLU V 103 8.448 11.895 5.508 1.00 38.47 C ATOM 1455 CD GLU V 103 8.887 12.599 4.235 1.00 43.39 C ATOM 1456 OE1 GLU V 103 8.666 12.049 3.135 1.00 33.80 O ATOM 1457 OE2 GLU V 103 9.451 13.710 4.342 1.00 50.96 O ATOM 1458 HA GLU V 103 6.177 10.600 6.010 1.00 0.00 H ATOM 1459 HB2 GLU V 103 8.640 9.870 6.154 1.00 0.00 H ATOM 1460 HB3 GLU V 103 8.679 10.092 4.389 1.00 0.00 H ATOM 1461 HG2 GLU V 103 7.526 12.358 5.860 1.00 0.00 H ATOM 1462 HG3 GLU V 103 9.227 12.021 6.260 1.00 0.00 H ATOM 1463 H GLU V 103 6.276 8.013 4.666 1.00 0.00 H ATOM 1464 N CYS V 104 5.748 11.712 3.738 1.00 26.48 N ATOM 1465 CA CYS V 104 5.185 12.222 2.488 1.00 28.23 C ATOM 1466 C CYS V 104 6.240 12.958 1.661 1.00 28.32 C ATOM 1467 O CYS V 104 7.037 13.727 2.196 1.00 28.96 O ATOM 1468 CB CYS V 104 4.015 13.168 2.778 1.00 25.46 C ATOM 1469 SG CYS V 104 2.443 12.316 3.129 1.00 25.12 S ATOM 1470 HA CYS V 104 4.830 11.366 1.914 1.00 0.00 H ATOM 1471 HB2 CYS V 104 3.870 13.811 1.910 1.00 0.00 H ATOM 1472 HB3 CYS V 104 4.274 13.779 3.642 1.00 0.00 H ATOM 1473 H CYS V 104 5.839 12.356 4.550 1.00 0.00 H ATOM 1474 N ARG V 105 6.224 12.719 0.351 1.00 29.34 N ATOM 1475 CA ARG V 105 7.168 13.368 -0.560 1.00 33.00 C ATOM 1476 C ARG V 105 6.500 13.666 -1.908 1.00 35.92 C ATOM 1477 O ARG V 105 5.529 13.002 -2.272 1.00 37.93 O ATOM 1478 CB ARG V 105 8.397 12.481 -0.775 1.00 33.97 C ATOM 1479 CG ARG V 105 8.057 11.065 -1.212 1.00 37.95 C ATOM 1480 CD ARG V 105 9.163 10.445 -2.060 1.00 43.05 C ATOM 1481 NE ARG V 105 10.346 10.089 -1.264 1.00 47.72 N ATOM 1482 CZ ARG V 105 11.447 10.857 -1.110 1.00 47.76 C ATOM 1483 NH1 ARG V 105 11.558 12.061 -1.685 1.00 49.87 N ATOM 1484 NH2 ARG V 105 12.447 10.402 -0.362 1.00 53.61 N ATOM 1485 HA ARG V 105 7.483 14.309 -0.109 1.00 0.00 H ATOM 1486 HB2 ARG V 105 9.022 12.938 -1.542 1.00 0.00 H ATOM 1487 HB3 ARG V 105 8.953 12.429 0.161 1.00 0.00 H ATOM 1488 HG2 ARG V 105 7.907 10.450 -0.325 1.00 0.00 H ATOM 1489 HG3 ARG V 105 7.137 11.088 -1.796 1.00 0.00 H ATOM 1490 HD2 ARG V 105 9.459 11.160 -2.827 1.00 0.00 H ATOM 1491 HD3 ARG V 105 8.776 9.544 -2.536 1.00 0.00 H ATOM 1492 HE ARG V 105 10.335 9.169 -0.779 1.00 0.00 H ATOM 1493 HH12 ARG V 105 12.420 12.626 -1.546 1.00 0.00 H ATOM 1494 HH11 ARG V 105 10.782 12.431 -2.271 1.00 0.00 H ATOM 1495 HH22 ARG V 105 13.303 10.978 -0.231 1.00 0.00 H ATOM 1496 HH21 ARG V 105 12.374 9.470 0.093 1.00 0.00 H ATOM 1497 H ARG V 105 5.523 12.054 -0.034 1.00 0.00 H ATOM 1498 N PRO V 106 6.994 14.670 -2.681 1.00 36.22 N ATOM 1499 CA PRO V 106 6.400 15.011 -3.982 1.00 33.33 C ATOM 1500 C PRO V 106 6.394 13.828 -4.949 1.00 33.31 C ATOM 1501 O PRO V 106 7.355 13.063 -5.018 1.00 37.82 O ATOM 1502 CB PRO V 106 7.299 16.139 -4.511 1.00 32.32 C ATOM 1503 CG PRO V 106 7.958 16.705 -3.303 1.00 28.15 C ATOM 1504 CD PRO V 106 8.144 15.546 -2.364 1.00 32.35 C ATOM 1505 HA PRO V 106 5.354 15.300 -3.884 1.00 0.00 H ATOM 1506 HD3 PRO V 106 9.089 15.036 -2.553 1.00 0.00 H ATOM 1507 HD2 PRO V 106 8.112 15.874 -1.325 1.00 0.00 H ATOM 1508 HG3 PRO V 106 7.327 17.467 -2.847 1.00 0.00 H ATOM 1509 HG2 PRO V 106 8.922 17.142 -3.564 1.00 0.00 H ATOM 1510 HB2 PRO V 106 8.042 15.744 -5.204 1.00 0.00 H ATOM 1511 HB3 PRO V 106 6.703 16.900 -5.015 1.00 0.00 H ATOM 1512 N LYS V 107 5.301 13.686 -5.692 1.00 34.65 N ATOM 1513 CA LYS V 107 5.162 12.597 -6.654 1.00 35.10 C ATOM 1514 C LYS V 107 6.204 12.708 -7.765 1.00 35.76 C ATOM 1515 O LYS V 107 6.717 13.792 -8.040 1.00 0.00 O ATOM 1516 CB LYS V 107 3.758 12.602 -7.260 1.00 32.01 C ATOM 1517 CG LYS V 107 2.687 12.105 -6.306 1.00 30.43 C ATOM 1518 CD LYS V 107 1.296 12.243 -6.904 1.00 31.12 C ATOM 1519 CE LYS V 107 0.291 11.350 -6.195 1.00 35.95 C ATOM 1520 NZ LYS V 107 -1.095 11.567 -6.695 1.00 33.41 N ATOM 1521 HA LYS V 107 5.323 11.658 -6.123 1.00 0.00 H ATOM 1522 HB2 LYS V 107 3.512 13.622 -7.554 1.00 0.00 H ATOM 1523 HB3 LYS V 107 3.760 11.961 -8.142 1.00 0.00 H ATOM 1524 HG2 LYS V 107 2.873 11.055 -6.081 1.00 0.00 H ATOM 1525 HG3 LYS V 107 2.736 12.686 -5.385 1.00 0.00 H ATOM 1526 HD2 LYS V 107 0.973 13.280 -6.814 1.00 0.00 H ATOM 1527 HD3 LYS V 107 1.334 11.966 -7.957 1.00 0.00 H ATOM 1528 HE2 LYS V 107 0.319 11.567 -5.127 1.00 0.00 H ATOM 1529 HE3 LYS V 107 0.567 10.308 -6.360 1.00 0.00 H ATOM 1530 HZ1 LYS V 107 -1.369 12.557 -6.535 1.00 0.00 H ATOM 1531 HZ2 LYS V 107 -1.132 11.356 -7.713 1.00 0.00 H ATOM 1532 HZ3 LYS V 107 -1.748 10.939 -6.185 1.00 0.00 H ATOM 1533 H LYS V 107 4.524 14.369 -5.585 1.00 0.00 H ATOM 1534 N LYS V 108 6.502 11.579 -8.404 1.00 0.00 N ATOM 1535 CA LYS V 108 7.476 11.538 -9.494 1.00 0.00 C ATOM 1536 C LYS V 108 6.805 11.122 -10.802 1.00 0.00 C ATOM 1537 O LYS V 108 6.652 11.929 -11.719 1.00 0.00 O ATOM 1538 CB LYS V 108 8.608 10.561 -9.158 1.00 0.00 C ATOM 1539 CG LYS V 108 9.637 11.140 -8.200 1.00 0.00 C ATOM 1540 CD LYS V 108 10.694 10.114 -7.828 1.00 0.00 C ATOM 1541 CE LYS V 108 11.809 10.732 -7.000 1.00 0.00 C ATOM 1542 NZ LYS V 108 12.789 11.466 -7.848 1.00 0.00 N ATOM 1543 HA LYS V 108 7.892 12.538 -9.617 1.00 0.00 H ATOM 1544 HB2 LYS V 108 8.174 9.671 -8.703 1.00 0.00 H ATOM 1545 HB3 LYS V 108 9.113 10.285 -10.083 1.00 0.00 H ATOM 1546 HG2 LYS V 108 10.123 11.992 -8.675 1.00 0.00 H ATOM 1547 HG3 LYS V 108 9.130 11.471 -7.294 1.00 0.00 H ATOM 1548 HD2 LYS V 108 10.225 9.317 -7.251 1.00 0.00 H ATOM 1549 HD3 LYS V 108 11.120 9.698 -8.741 1.00 0.00 H ATOM 1550 HE2 LYS V 108 12.331 9.939 -6.464 1.00 0.00 H ATOM 1551 HE3 LYS V 108 11.372 11.427 -6.283 1.00 0.00 H ATOM 1552 HZ1 LYS V 108 13.216 10.808 -8.531 1.00 0.00 H ATOM 1553 HZ2 LYS V 108 12.301 12.229 -8.359 1.00 0.00 H ATOM 1554 HZ3 LYS V 108 13.532 11.872 -7.244 1.00 0.00 H ATOM 1555 H LYS V 108 6.027 10.699 -8.119 1.00 0.00 H ATOM 1556 N ASP V 109 6.401 9.854 -10.876 1.00 0.00 N ATOM 1557 CA ASP V 109 5.741 9.324 -12.070 1.00 0.00 C ATOM 1558 C ASP V 109 4.244 9.157 -11.829 1.00 0.00 C ATOM 1559 O ASP V 109 3.874 8.584 -10.783 1.00 0.00 O ATOM 1560 CB ASP V 109 6.358 7.983 -12.467 1.00 0.00 C ATOM 1561 CG ASP V 109 5.982 7.568 -13.874 1.00 0.00 C ATOM 1562 OD1 ASP V 109 6.128 8.397 -14.797 1.00 0.00 O ATOM 1563 OD2 ASP V 109 5.541 6.414 -14.056 1.00 0.00 O ATOM 1564 HA ASP V 109 5.885 10.035 -12.883 1.00 0.00 H ATOM 1565 OXT ASP V 109 3.454 9.596 -12.692 1.00 0.00 O ATOM 1566 HB2 ASP V 109 7.443 8.064 -12.404 1.00 0.00 H ATOM 1567 HB3 ASP V 109 6.011 7.218 -11.772 1.00 0.00 H ATOM 1568 H ASP V 109 6.559 9.224 -10.064 1.00 0.00 H TER 1569 ASP V 109 ATOM 1570 N HIS W 11 13.444 -7.420 13.848 1.00 0.00 N ATOM 1571 CA HIS W 11 12.515 -8.553 13.586 1.00 0.00 C ATOM 1572 C HIS W 11 11.918 -9.086 14.887 1.00 0.00 C ATOM 1573 O HIS W 11 12.555 -9.030 15.939 1.00 0.00 O ATOM 1574 CB HIS W 11 13.283 -9.657 12.849 1.00 0.00 C ATOM 1575 CG HIS W 11 14.570 -10.044 13.511 1.00 0.00 C ATOM 1576 ND1 HIS W 11 14.729 -11.216 14.220 1.00 0.00 N ATOM 1577 CD2 HIS W 11 15.766 -9.410 13.563 1.00 0.00 C ATOM 1578 CE1 HIS W 11 15.966 -11.287 14.679 1.00 0.00 C ATOM 1579 NE2 HIS W 11 16.616 -10.203 14.294 1.00 0.00 N ATOM 1580 HA HIS W 11 11.687 -8.206 12.969 1.00 0.00 H ATOM 1581 HB2 HIS W 11 12.646 -10.540 12.792 1.00 0.00 H ATOM 1582 HB3 HIS W 11 13.506 -9.307 11.841 1.00 0.00 H ATOM 1583 HD2 HIS W 11 16.009 -8.449 13.109 1.00 0.00 H ATOM 1584 HE1 HIS W 11 16.380 -12.101 15.274 1.00 0.00 H ATOM 1585 HN3 HIS W 11 14.218 -7.743 14.462 1.00 0.00 H ATOM 1586 HN2 HIS W 11 12.926 -6.650 14.317 1.00 0.00 H ATOM 1587 HN1 HIS W 11 13.835 -7.078 12.947 1.00 0.00 H ATOM 1588 N HIS W 12 10.684 -9.589 14.811 1.00 47.08 N ATOM 1589 CA HIS W 12 9.989 -10.116 15.990 1.00 44.68 C ATOM 1590 C HIS W 12 9.919 -11.647 15.979 1.00 40.06 C ATOM 1591 O HIS W 12 8.999 -12.234 16.545 1.00 41.02 O ATOM 1592 CB HIS W 12 8.576 -9.533 16.066 1.00 59.04 C ATOM 1593 CG HIS W 12 8.514 -8.221 16.776 1.00 74.89 C ATOM 1594 ND1 HIS W 12 8.164 -7.043 16.153 1.00 80.34 N ATOM 1595 CD2 HIS W 12 8.758 -7.902 18.070 1.00 80.84 C ATOM 1596 CE1 HIS W 12 8.195 -6.055 17.030 1.00 85.20 C ATOM 1597 NE2 HIS W 12 8.551 -6.551 18.201 1.00 85.99 N ATOM 1598 HA HIS W 12 10.560 -9.817 16.869 1.00 0.00 H ATOM 1599 HB2 HIS W 12 8.204 -9.395 15.051 1.00 0.00 H ATOM 1600 HB3 HIS W 12 7.937 -10.242 16.593 1.00 0.00 H ATOM 1601 HD2 HIS W 12 9.062 -8.589 18.859 1.00 0.00 H ATOM 1602 HE1 HIS W 12 7.966 -5.010 16.822 1.00 0.00 H ATOM 1603 H HIS W 12 10.202 -9.608 13.890 1.00 0.00 H ATOM 1604 N GLU W 13 10.901 -12.289 15.349 1.00 31.73 N ATOM 1605 CA GLU W 13 10.954 -13.757 15.284 1.00 25.72 C ATOM 1606 C GLU W 13 9.790 -14.340 14.468 1.00 22.91 C ATOM 1607 O GLU W 13 8.994 -13.606 13.876 1.00 20.68 O ATOM 1608 CB GLU W 13 10.947 -14.384 16.696 1.00 33.79 C ATOM 1609 CG GLU W 13 11.750 -13.615 17.738 1.00 47.90 C ATOM 1610 CD GLU W 13 11.719 -14.281 19.102 1.00 53.27 C ATOM 1611 OE1 GLU W 13 12.590 -15.137 19.365 1.00 47.91 O ATOM 1612 OE2 GLU W 13 10.821 -13.951 19.904 1.00 56.44 O ATOM 1613 HA GLU W 13 11.890 -14.007 14.783 1.00 0.00 H ATOM 1614 HB2 GLU W 13 9.913 -14.441 17.037 1.00 0.00 H ATOM 1615 HB3 GLU W 13 11.360 -15.390 16.623 1.00 0.00 H ATOM 1616 HG2 GLU W 13 12.785 -13.550 17.404 1.00 0.00 H ATOM 1617 HG3 GLU W 13 11.335 -12.611 17.829 1.00 0.00 H ATOM 1618 H GLU W 13 11.652 -11.736 14.890 1.00 0.00 H ATOM 1619 N VAL W 14 9.702 -15.675 14.463 1.00 23.36 N ATOM 1620 CA VAL W 14 8.645 -16.385 13.740 1.00 23.87 C ATOM 1621 C VAL W 14 7.309 -16.256 14.473 1.00 19.07 C ATOM 1622 O VAL W 14 7.217 -16.541 15.666 1.00 21.93 O ATOM 1623 CB VAL W 14 8.982 -17.889 13.562 1.00 23.18 C ATOM 1624 CG1 VAL W 14 7.982 -18.559 12.629 1.00 28.65 C ATOM 1625 CG2 VAL W 14 10.400 -18.075 13.040 1.00 25.60 C ATOM 1626 HA VAL W 14 8.570 -15.926 12.754 1.00 0.00 H ATOM 1627 HB VAL W 14 8.915 -18.363 14.541 1.00 0.00 H ATOM 1628 HG11 VAL W 14 6.980 -18.469 13.048 1.00 0.00 H ATOM 1629 HG12 VAL W 14 8.014 -18.073 11.654 1.00 0.00 H ATOM 1630 HG13 VAL W 14 8.239 -19.613 12.520 1.00 0.00 H ATOM 1631 HG21 VAL W 14 10.499 -17.578 12.075 1.00 0.00 H ATOM 1632 HG22 VAL W 14 11.106 -17.640 13.747 1.00 0.00 H ATOM 1633 HG23 VAL W 14 10.607 -19.139 12.925 1.00 0.00 H ATOM 1634 H VAL W 14 10.408 -16.227 14.990 1.00 0.00 H ATOM 1635 N VAL W 15 6.277 -15.830 13.748 1.00 19.82 N ATOM 1636 CA VAL W 15 4.947 -15.663 14.334 1.00 21.20 C ATOM 1637 C VAL W 15 4.234 -17.012 14.436 1.00 16.90 C ATOM 1638 O VAL W 15 4.523 -17.936 13.675 1.00 19.23 O ATOM 1639 CB VAL W 15 4.071 -14.691 13.507 1.00 19.69 C ATOM 1640 CG1 VAL W 15 2.771 -14.372 14.236 1.00 17.86 C ATOM 1641 CG2 VAL W 15 4.833 -13.410 13.194 1.00 21.56 C ATOM 1642 HA VAL W 15 5.088 -15.241 15.329 1.00 0.00 H ATOM 1643 HB VAL W 15 3.822 -15.183 12.567 1.00 0.00 H ATOM 1644 HG11 VAL W 15 2.212 -15.293 14.400 1.00 0.00 H ATOM 1645 HG12 VAL W 15 2.999 -13.908 15.196 1.00 0.00 H ATOM 1646 HG13 VAL W 15 2.176 -13.687 13.632 1.00 0.00 H ATOM 1647 HG21 VAL W 15 5.118 -12.921 14.126 1.00 0.00 H ATOM 1648 HG22 VAL W 15 5.728 -13.652 12.621 1.00 0.00 H ATOM 1649 HG23 VAL W 15 4.197 -12.743 12.612 1.00 0.00 H ATOM 1650 H VAL W 15 6.420 -15.611 12.741 1.00 0.00 H ATOM 1651 N LYS W 16 3.303 -17.116 15.380 1.00 18.53 N ATOM 1652 CA LYS W 16 2.549 -18.349 15.581 1.00 22.39 C ATOM 1653 C LYS W 16 1.528 -18.551 14.459 1.00 24.57 C ATOM 1654 O LYS W 16 0.843 -17.613 14.055 1.00 20.90 O ATOM 1655 CB LYS W 16 1.845 -18.321 16.939 1.00 26.14 C ATOM 1656 CG LYS W 16 2.764 -18.674 18.099 1.00 35.34 C ATOM 1657 CD LYS W 16 2.203 -18.200 19.433 1.00 42.27 C ATOM 1658 CE LYS W 16 2.789 -16.857 19.847 1.00 46.10 C ATOM 1659 NZ LYS W 16 1.910 -15.719 19.452 1.00 52.07 N ATOM 1660 HA LYS W 16 3.247 -19.186 15.562 1.00 0.00 H ATOM 1661 HB2 LYS W 16 1.449 -17.319 17.103 1.00 0.00 H ATOM 1662 HB3 LYS W 16 1.023 -19.036 16.918 1.00 0.00 H ATOM 1663 HG2 LYS W 16 2.889 -19.756 18.133 1.00 0.00 H ATOM 1664 HG3 LYS W 16 3.733 -18.203 17.937 1.00 0.00 H ATOM 1665 HD2 LYS W 16 1.121 -18.102 19.346 1.00 0.00 H ATOM 1666 HD3 LYS W 16 2.439 -18.939 20.198 1.00 0.00 H ATOM 1667 HE2 LYS W 16 3.761 -16.734 19.369 1.00 0.00 H ATOM 1668 HE3 LYS W 16 2.914 -16.846 20.930 1.00 0.00 H ATOM 1669 HZ1 LYS W 16 1.790 -15.717 18.419 1.00 0.00 H ATOM 1670 HZ2 LYS W 16 0.982 -15.824 19.910 1.00 0.00 H ATOM 1671 HZ3 LYS W 16 2.347 -14.824 19.753 1.00 0.00 H ATOM 1672 H LYS W 16 3.107 -16.297 15.991 1.00 0.00 H ATOM 1673 N PHE W 17 1.463 -19.781 13.948 1.00 24.53 N ATOM 1674 CA PHE W 17 0.551 -20.134 12.845 1.00 22.46 C ATOM 1675 C PHE W 17 -0.905 -19.753 13.149 1.00 20.51 C ATOM 1676 O PHE W 17 -1.542 -19.032 12.379 1.00 22.81 O ATOM 1677 CB PHE W 17 0.649 -21.635 12.553 1.00 23.42 C ATOM 1678 CG PHE W 17 -0.177 -22.090 11.381 1.00 17.59 C ATOM 1679 CD1 PHE W 17 0.287 -21.936 10.085 1.00 21.18 C ATOM 1680 CD2 PHE W 17 -1.418 -22.676 11.581 1.00 15.57 C ATOM 1681 CE1 PHE W 17 -0.471 -22.361 9.009 1.00 19.54 C ATOM 1682 CE2 PHE W 17 -2.179 -23.100 10.509 1.00 17.13 C ATOM 1683 CZ PHE W 17 -1.705 -22.942 9.222 1.00 14.86 C ATOM 1684 HA PHE W 17 0.859 -19.564 11.969 1.00 0.00 H ATOM 1685 HB2 PHE W 17 1.692 -21.877 12.351 1.00 0.00 H ATOM 1686 HB3 PHE W 17 0.316 -22.178 13.438 1.00 0.00 H ATOM 1687 HD2 PHE W 17 -1.797 -22.803 12.595 1.00 0.00 H ATOM 1688 HE2 PHE W 17 -3.153 -23.559 10.679 1.00 0.00 H ATOM 1689 HZ PHE W 17 -2.304 -23.276 8.375 1.00 0.00 H ATOM 1690 HE1 PHE W 17 -0.094 -22.237 7.994 1.00 0.00 H ATOM 1691 HD1 PHE W 17 1.259 -21.475 9.911 1.00 0.00 H ATOM 1692 H PHE W 17 2.079 -20.520 14.343 1.00 0.00 H ATOM 1693 N MET W 18 -1.427 -20.249 14.269 1.00 21.16 N ATOM 1694 CA MET W 18 -2.813 -19.980 14.673 1.00 22.84 C ATOM 1695 C MET W 18 -3.124 -18.480 14.747 1.00 23.65 C ATOM 1696 O MET W 18 -4.281 -18.074 14.613 1.00 20.30 O ATOM 1697 CB MET W 18 -3.092 -20.627 16.032 1.00 25.71 C ATOM 1698 CG MET W 18 -4.542 -21.066 16.209 1.00 29.87 C ATOM 1699 SD MET W 18 -4.769 -22.855 16.104 1.00 31.56 S ATOM 1700 CE MET W 18 -5.651 -23.000 14.553 1.00 31.20 C ATOM 1701 HA MET W 18 -3.459 -20.411 13.908 1.00 0.00 H ATOM 1702 HB2 MET W 18 -2.451 -21.502 16.136 1.00 0.00 H ATOM 1703 HB3 MET W 18 -2.851 -19.907 16.814 1.00 0.00 H ATOM 1704 HG2 MET W 18 -5.143 -20.595 15.431 1.00 0.00 H ATOM 1705 HG3 MET W 18 -4.888 -20.731 17.187 1.00 0.00 H ATOM 1706 HE1 MET W 18 -6.588 -22.446 14.616 1.00 0.00 H ATOM 1707 HE2 MET W 18 -5.039 -22.591 13.749 1.00 0.00 H ATOM 1708 HE3 MET W 18 -5.862 -24.051 14.353 1.00 0.00 H ATOM 1709 H MET W 18 -0.833 -20.847 14.878 1.00 0.00 H ATOM 1710 N ASP W 19 -2.097 -17.663 14.975 1.00 21.12 N ATOM 1711 CA ASP W 19 -2.279 -16.217 15.083 1.00 23.81 C ATOM 1712 C ASP W 19 -2.336 -15.550 13.709 1.00 19.30 C ATOM 1713 O ASP W 19 -3.052 -14.566 13.521 1.00 19.45 O ATOM 1714 CB ASP W 19 -1.146 -15.605 15.908 1.00 22.57 C ATOM 1715 CG ASP W 19 -1.333 -15.824 17.396 1.00 30.12 C ATOM 1716 OD1 ASP W 19 -2.410 -15.463 17.918 1.00 30.22 O ATOM 1717 OD2 ASP W 19 -0.405 -16.358 18.039 1.00 34.16 O ATOM 1718 HA ASP W 19 -3.232 -16.041 15.582 1.00 0.00 H ATOM 1719 HB2 ASP W 19 -0.204 -16.060 15.602 1.00 0.00 H ATOM 1720 HB3 ASP W 19 -1.110 -14.533 15.713 1.00 0.00 H ATOM 1721 H ASP W 19 -1.143 -18.064 15.079 1.00 0.00 H ATOM 1722 N VAL W 20 -1.573 -16.078 12.755 1.00 20.96 N ATOM 1723 CA VAL W 20 -1.538 -15.515 11.403 1.00 18.89 C ATOM 1724 C VAL W 20 -2.881 -15.694 10.698 1.00 20.42 C ATOM 1725 O VAL W 20 -3.316 -14.831 9.937 1.00 18.50 O ATOM 1726 CB VAL W 20 -0.433 -16.155 10.527 1.00 18.74 C ATOM 1727 CG1 VAL W 20 -0.220 -15.342 9.259 1.00 16.55 C ATOM 1728 CG2 VAL W 20 0.877 -16.291 11.292 1.00 17.13 C ATOM 1729 HA VAL W 20 -1.318 -14.454 11.524 1.00 0.00 H ATOM 1730 HB VAL W 20 -0.767 -17.156 10.254 1.00 0.00 H ATOM 1731 HG11 VAL W 20 -1.149 -15.309 8.690 1.00 0.00 H ATOM 1732 HG12 VAL W 20 0.081 -14.329 9.525 1.00 0.00 H ATOM 1733 HG13 VAL W 20 0.560 -15.808 8.657 1.00 0.00 H ATOM 1734 HG21 VAL W 20 1.215 -15.304 11.609 1.00 0.00 H ATOM 1735 HG22 VAL W 20 0.721 -16.922 12.167 1.00 0.00 H ATOM 1736 HG23 VAL W 20 1.629 -16.744 10.645 1.00 0.00 H ATOM 1737 H VAL W 20 -0.988 -16.909 12.974 1.00 0.00 H ATOM 1738 N TYR W 21 -3.530 -16.826 10.955 1.00 17.94 N ATOM 1739 CA TYR W 21 -4.822 -17.129 10.344 1.00 17.90 C ATOM 1740 C TYR W 21 -5.949 -16.337 11.011 1.00 17.06 C ATOM 1741 O TYR W 21 -6.814 -15.781 10.334 1.00 18.51 O ATOM 1742 CB TYR W 21 -5.096 -18.638 10.441 1.00 18.26 C ATOM 1743 CG TYR W 21 -6.412 -19.074 9.834 1.00 19.76 C ATOM 1744 CD1 TYR W 21 -6.504 -19.425 8.492 1.00 18.11 C ATOM 1745 CD2 TYR W 21 -7.566 -19.140 10.608 1.00 19.42 C ATOM 1746 CE1 TYR W 21 -7.706 -19.825 7.939 1.00 19.37 C ATOM 1747 CE2 TYR W 21 -8.771 -19.539 10.063 1.00 19.42 C ATOM 1748 CZ TYR W 21 -8.836 -19.881 8.729 1.00 22.34 C ATOM 1749 OH TYR W 21 -10.034 -20.280 8.183 1.00 24.40 O ATOM 1750 HA TYR W 21 -4.787 -16.835 9.295 1.00 0.00 H ATOM 1751 HB3 TYR W 21 -5.097 -18.918 11.494 1.00 0.00 H ATOM 1752 HB2 TYR W 21 -4.292 -19.165 9.927 1.00 0.00 H ATOM 1753 HD2 TYR W 21 -7.519 -18.872 11.663 1.00 0.00 H ATOM 1754 HE2 TYR W 21 -9.666 -19.583 10.684 1.00 0.00 H ATOM 1755 HE1 TYR W 21 -7.761 -20.095 6.884 1.00 0.00 H ATOM 1756 HD1 TYR W 21 -5.613 -19.384 7.865 1.00 0.00 H ATOM 1757 HH TYR W 21 -9.905 -20.487 7.224 1.00 0.00 H ATOM 1758 H TYR W 21 -3.106 -17.515 11.609 1.00 0.00 H ATOM 1759 N GLN W 22 -5.937 -16.299 12.339 1.00 15.33 N ATOM 1760 CA GLN W 22 -6.964 -15.588 13.097 1.00 18.73 C ATOM 1761 C GLN W 22 -6.966 -14.092 12.782 1.00 19.49 C ATOM 1762 O GLN W 22 -8.025 -13.473 12.668 1.00 19.85 O ATOM 1763 CB GLN W 22 -6.750 -15.804 14.600 1.00 22.86 C ATOM 1764 CG GLN W 22 -8.047 -15.851 15.404 1.00 26.30 C ATOM 1765 CD GLN W 22 -8.096 -14.839 16.539 1.00 28.54 C ATOM 1766 OE1 GLN W 22 -9.132 -14.223 16.790 1.00 26.07 O ATOM 1767 NE2 GLN W 22 -6.977 -14.665 17.234 1.00 27.46 N ATOM 1768 HA GLN W 22 -7.933 -15.992 12.803 1.00 0.00 H ATOM 1769 HB2 GLN W 22 -6.223 -16.748 14.741 1.00 0.00 H ATOM 1770 HB3 GLN W 22 -6.138 -14.987 14.982 1.00 0.00 H ATOM 1771 HG2 GLN W 22 -8.879 -15.652 14.729 1.00 0.00 H ATOM 1772 HG3 GLN W 22 -8.155 -16.850 15.827 1.00 0.00 H ATOM 1773 HE22 GLN W 22 -6.123 -15.206 16.989 1.00 0.00 H ATOM 1774 HE21 GLN W 22 -6.955 -13.988 18.023 1.00 0.00 H ATOM 1775 H GLN W 22 -5.176 -16.788 12.853 1.00 0.00 H ATOM 1776 N ARG W 23 -5.776 -13.512 12.665 1.00 18.14 N ATOM 1777 CA ARG W 23 -5.639 -12.083 12.392 1.00 18.42 C ATOM 1778 C ARG W 23 -5.755 -11.747 10.898 1.00 19.43 C ATOM 1779 O ARG W 23 -5.987 -10.590 10.544 1.00 19.95 O ATOM 1780 CB ARG W 23 -4.294 -11.583 12.932 1.00 16.10 C ATOM 1781 CG ARG W 23 -4.333 -11.224 14.417 1.00 21.03 C ATOM 1782 CD ARG W 23 -3.143 -11.788 15.189 1.00 18.57 C ATOM 1783 NE ARG W 23 -2.966 -11.138 16.494 1.00 31.49 N ATOM 1784 CZ ARG W 23 -3.809 -11.270 17.529 1.00 34.03 C ATOM 1785 NH1 ARG W 23 -4.885 -12.045 17.447 1.00 37.44 N ATOM 1786 NH2 ARG W 23 -3.559 -10.632 18.663 1.00 29.66 N ATOM 1787 HA ARG W 23 -6.463 -11.579 12.897 1.00 0.00 H ATOM 1788 HB2 ARG W 23 -3.550 -12.365 12.785 1.00 0.00 H ATOM 1789 HB3 ARG W 23 -4.003 -10.696 12.369 1.00 0.00 H ATOM 1790 HG2 ARG W 23 -4.330 -10.138 14.514 1.00 0.00 H ATOM 1791 HG3 ARG W 23 -5.251 -11.623 14.849 1.00 0.00 H ATOM 1792 HD2 ARG W 23 -2.239 -11.640 14.598 1.00 0.00 H ATOM 1793 HD3 ARG W 23 -3.301 -12.855 15.347 1.00 0.00 H ATOM 1794 HE ARG W 23 -2.130 -10.534 16.625 1.00 0.00 H ATOM 1795 HH12 ARG W 23 -5.526 -12.133 18.262 1.00 0.00 H ATOM 1796 HH11 ARG W 23 -5.087 -12.563 16.568 1.00 0.00 H ATOM 1797 HH22 ARG W 23 -4.209 -10.730 19.469 1.00 0.00 H ATOM 1798 HH21 ARG W 23 -2.713 -10.033 18.747 1.00 0.00 H ATOM 1799 H ARG W 23 -4.919 -14.091 12.771 1.00 0.00 H ATOM 1800 N SER W 24 -5.564 -12.738 10.023 1.00 16.38 N ATOM 1801 CA SER W 24 -5.622 -12.501 8.577 1.00 16.05 C ATOM 1802 C SER W 24 -6.987 -12.847 7.973 1.00 16.34 C ATOM 1803 O SER W 24 -7.367 -12.299 6.938 1.00 14.73 O ATOM 1804 CB SER W 24 -4.536 -13.322 7.879 1.00 16.67 C ATOM 1805 OG SER W 24 -4.862 -14.702 7.880 1.00 20.86 O ATOM 1806 HA SER W 24 -5.459 -11.435 8.420 1.00 0.00 H ATOM 1807 HB2 SER W 24 -3.590 -13.179 8.401 1.00 0.00 H ATOM 1808 HB3 SER W 24 -4.437 -12.980 6.849 1.00 0.00 H ATOM 1809 HG SER W 24 -4.949 -15.019 8.814 1.00 0.00 H ATOM 1810 H SER W 24 -5.370 -13.697 10.374 1.00 0.00 H ATOM 1811 N TYR W 25 -7.717 -13.764 8.609 1.00 16.77 N ATOM 1812 CA TYR W 25 -9.035 -14.196 8.113 1.00 16.89 C ATOM 1813 C TYR W 25 -9.998 -13.016 7.905 1.00 19.77 C ATOM 1814 O TYR W 25 -10.111 -12.127 8.752 1.00 15.97 O ATOM 1815 CB TYR W 25 -9.654 -15.205 9.083 1.00 14.80 C ATOM 1816 CG TYR W 25 -10.903 -15.890 8.560 1.00 20.40 C ATOM 1817 CD1 TYR W 25 -10.997 -16.315 7.236 1.00 19.91 C ATOM 1818 CD2 TYR W 25 -11.989 -16.118 9.398 1.00 19.91 C ATOM 1819 CE1 TYR W 25 -12.137 -16.946 6.770 1.00 23.91 C ATOM 1820 CE2 TYR W 25 -13.129 -16.746 8.936 1.00 19.78 C ATOM 1821 CZ TYR W 25 -13.199 -17.158 7.622 1.00 20.72 C ATOM 1822 OH TYR W 25 -14.333 -17.785 7.160 1.00 21.03 O ATOM 1823 HA TYR W 25 -8.877 -14.663 7.141 1.00 0.00 H ATOM 1824 HB3 TYR W 25 -9.912 -14.680 10.003 1.00 0.00 H ATOM 1825 HB2 TYR W 25 -8.910 -15.971 9.300 1.00 0.00 H ATOM 1826 HD2 TYR W 25 -11.940 -15.795 10.438 1.00 0.00 H ATOM 1827 HE2 TYR W 25 -13.970 -16.915 9.608 1.00 0.00 H ATOM 1828 HE1 TYR W 25 -12.195 -17.274 5.732 1.00 0.00 H ATOM 1829 HD1 TYR W 25 -10.160 -16.148 6.558 1.00 0.00 H ATOM 1830 HH TYR W 25 -14.217 -18.012 6.203 1.00 0.00 H ATOM 1831 H TYR W 25 -7.344 -14.187 9.483 1.00 0.00 H ATOM 1832 N CYS W 26 -10.692 -13.018 6.750 1.00 18.44 N ATOM 1833 CA CYS W 26 -11.661 -11.961 6.360 1.00 16.48 C ATOM 1834 C CYS W 26 -12.510 -11.439 7.534 1.00 18.19 C ATOM 1835 O CYS W 26 -13.477 -12.078 7.958 1.00 16.75 O ATOM 1836 CB CYS W 26 -12.578 -12.507 5.252 1.00 19.93 C ATOM 1837 SG CYS W 26 -13.800 -11.319 4.595 1.00 19.41 S ATOM 1838 HA CYS W 26 -11.081 -11.110 6.003 1.00 0.00 H ATOM 1839 HB2 CYS W 26 -13.122 -13.362 5.655 1.00 0.00 H ATOM 1840 HB3 CYS W 26 -11.949 -12.835 4.425 1.00 0.00 H ATOM 1841 H CYS W 26 -10.540 -13.808 6.091 1.00 0.00 H ATOM 1842 N HIS W 27 -12.148 -10.257 8.033 1.00 16.33 N ATOM 1843 CA HIS W 27 -12.869 -9.625 9.139 1.00 15.17 C ATOM 1844 C HIS W 27 -12.764 -8.097 9.048 1.00 15.48 C ATOM 1845 O HIS W 27 -11.971 -7.582 8.260 1.00 17.26 O ATOM 1846 CB HIS W 27 -12.309 -10.107 10.476 1.00 20.02 C ATOM 1847 CG HIS W 27 -12.693 -11.513 10.815 1.00 20.26 C ATOM 1848 ND1 HIS W 27 -13.968 -12.010 10.643 1.00 22.75 N ATOM 1849 CD2 HIS W 27 -11.960 -12.533 11.322 1.00 19.86 C ATOM 1850 CE1 HIS W 27 -14.003 -13.273 11.030 1.00 21.17 C ATOM 1851 NE2 HIS W 27 -12.797 -13.613 11.446 1.00 20.82 N ATOM 1852 HA HIS W 27 -13.920 -9.907 9.071 1.00 0.00 H ATOM 1853 HB2 HIS W 27 -11.221 -10.047 10.436 1.00 0.00 H ATOM 1854 HB3 HIS W 27 -12.680 -9.449 11.262 1.00 0.00 H ATOM 1855 HD2 HIS W 27 -10.902 -12.502 11.583 1.00 0.00 H ATOM 1856 HE1 HIS W 27 -14.878 -13.923 11.009 1.00 0.00 H ATOM 1857 H HIS W 27 -11.327 -9.768 7.623 1.00 0.00 H ATOM 1858 N PRO W 28 -13.562 -7.332 9.841 1.00 16.87 N ATOM 1859 CA PRO W 28 -13.518 -5.867 9.804 1.00 18.28 C ATOM 1860 C PRO W 28 -12.250 -5.308 10.455 1.00 19.62 C ATOM 1861 O PRO W 28 -12.004 -5.519 11.642 1.00 17.77 O ATOM 1862 CB PRO W 28 -14.781 -5.436 10.587 1.00 21.22 C ATOM 1863 CG PRO W 28 -15.560 -6.688 10.827 1.00 20.58 C ATOM 1864 CD PRO W 28 -14.556 -7.807 10.817 1.00 16.49 C ATOM 1865 HA PRO W 28 -13.499 -5.487 8.782 1.00 0.00 H ATOM 1866 HD3 PRO W 28 -14.108 -7.944 11.801 1.00 0.00 H ATOM 1867 HD2 PRO W 28 -15.011 -8.743 10.493 1.00 0.00 H ATOM 1868 HG3 PRO W 28 -16.298 -6.833 10.038 1.00 0.00 H ATOM 1869 HG2 PRO W 28 -16.066 -6.641 11.791 1.00 0.00 H ATOM 1870 HB2 PRO W 28 -14.501 -4.975 11.534 1.00 0.00 H ATOM 1871 HB3 PRO W 28 -15.369 -4.730 10.000 1.00 0.00 H ATOM 1872 N ILE W 29 -11.449 -4.597 9.662 1.00 18.35 N ATOM 1873 CA ILE W 29 -10.206 -4.005 10.146 1.00 20.97 C ATOM 1874 C ILE W 29 -10.126 -2.523 9.758 1.00 16.97 C ATOM 1875 O ILE W 29 -10.744 -2.092 8.782 1.00 19.51 O ATOM 1876 CB ILE W 29 -8.975 -4.774 9.591 1.00 21.02 C ATOM 1877 CG1 ILE W 29 -7.671 -4.224 10.179 1.00 31.48 C ATOM 1878 CG2 ILE W 29 -8.940 -4.722 8.068 1.00 17.26 C ATOM 1879 CD1 ILE W 29 -6.493 -5.160 10.009 1.00 33.12 C ATOM 1880 HA ILE W 29 -10.197 -4.081 11.233 1.00 0.00 H ATOM 1881 HB ILE W 29 -9.071 -5.817 9.894 1.00 0.00 H ATOM 1882 HG12 ILE W 29 -7.438 -3.282 9.683 1.00 0.00 H ATOM 1883 HG13 ILE W 29 -7.820 -4.046 11.244 1.00 0.00 H ATOM 1884 HD11 ILE W 29 -6.706 -6.105 10.510 1.00 0.00 H ATOM 1885 HD12 ILE W 29 -6.324 -5.340 8.947 1.00 0.00 H ATOM 1886 HD13 ILE W 29 -5.604 -4.707 10.448 1.00 0.00 H ATOM 1887 HG21 ILE W 29 -9.846 -5.177 7.669 1.00 0.00 H ATOM 1888 HG22 ILE W 29 -8.880 -3.683 7.742 1.00 0.00 H ATOM 1889 HG23 ILE W 29 -8.068 -5.268 7.707 1.00 0.00 H ATOM 1890 H ILE W 29 -11.718 -4.460 8.667 1.00 0.00 H ATOM 1891 N GLU W 30 -9.368 -1.748 10.532 1.00 20.06 N ATOM 1892 CA GLU W 30 -9.213 -0.319 10.270 1.00 20.90 C ATOM 1893 C GLU W 30 -8.542 -0.082 8.918 1.00 18.24 C ATOM 1894 O GLU W 30 -7.417 -0.521 8.686 1.00 20.23 O ATOM 1895 CB GLU W 30 -8.387 0.334 11.380 1.00 26.27 C ATOM 1896 CG GLU W 30 -8.477 1.856 11.389 1.00 27.65 C ATOM 1897 CD GLU W 30 -9.314 2.398 12.535 1.00 33.60 C ATOM 1898 OE1 GLU W 30 -10.494 2.007 12.646 1.00 28.73 O ATOM 1899 OE2 GLU W 30 -8.787 3.218 13.319 1.00 34.53 O ATOM 1900 HA GLU W 30 -10.205 0.131 10.247 1.00 0.00 H ATOM 1901 HB2 GLU W 30 -8.743 -0.039 12.340 1.00 0.00 H ATOM 1902 HB3 GLU W 30 -7.343 0.050 11.246 1.00 0.00 H ATOM 1903 HG2 GLU W 30 -7.469 2.263 11.473 1.00 0.00 H ATOM 1904 HG3 GLU W 30 -8.922 2.183 10.449 1.00 0.00 H ATOM 1905 H GLU W 30 -8.874 -2.171 11.344 1.00 0.00 H ATOM 1906 N THR W 31 -9.243 0.620 8.028 1.00 14.97 N ATOM 1907 CA THR W 31 -8.714 0.916 6.698 1.00 16.18 C ATOM 1908 C THR W 31 -9.059 2.342 6.274 1.00 18.68 C ATOM 1909 O THR W 31 -10.189 2.798 6.451 1.00 21.93 O ATOM 1910 CB THR W 31 -9.268 -0.079 5.679 1.00 17.30 C ATOM 1911 OG1 THR W 31 -9.167 -1.403 6.167 1.00 23.53 O ATOM 1912 CG2 THR W 31 -8.556 -0.026 4.345 1.00 14.47 C ATOM 1913 HA THR W 31 -7.629 0.824 6.737 1.00 0.00 H ATOM 1914 HB THR W 31 -10.309 0.208 5.529 1.00 0.00 H ATOM 1915 HG1 THR W 31 -9.684 -1.484 7.008 1.00 0.00 H ATOM 1916 HG23 THR W 31 -8.617 0.985 3.942 1.00 0.00 H ATOM 1917 HG21 THR W 31 -7.510 -0.302 4.481 1.00 0.00 H ATOM 1918 HG22 THR W 31 -9.030 -0.723 3.654 1.00 0.00 H ATOM 1919 H THR W 31 -10.189 0.966 8.286 1.00 0.00 H ATOM 1920 N LEU W 32 -8.076 3.037 5.708 1.00 17.96 N ATOM 1921 CA LEU W 32 -8.266 4.409 5.251 1.00 14.98 C ATOM 1922 C LEU W 32 -8.765 4.434 3.807 1.00 18.77 C ATOM 1923 O LEU W 32 -8.184 3.792 2.932 1.00 21.37 O ATOM 1924 CB LEU W 32 -6.954 5.187 5.376 1.00 15.66 C ATOM 1925 CG LEU W 32 -6.659 5.704 6.785 1.00 18.81 C ATOM 1926 CD1 LEU W 32 -5.195 6.085 6.923 1.00 25.42 C ATOM 1927 CD2 LEU W 32 -7.552 6.891 7.113 1.00 24.45 C ATOM 1928 HA LEU W 32 -9.020 4.884 5.879 1.00 0.00 H ATOM 1929 HB2 LEU W 32 -6.138 4.530 5.075 1.00 0.00 H ATOM 1930 HB3 LEU W 32 -6.998 6.042 4.701 1.00 0.00 H ATOM 1931 HG LEU W 32 -6.871 4.904 7.494 1.00 0.00 H ATOM 1932 HD21 LEU W 32 -7.369 7.691 6.395 1.00 0.00 H ATOM 1933 HD22 LEU W 32 -8.597 6.584 7.059 1.00 0.00 H ATOM 1934 HD23 LEU W 32 -7.328 7.245 8.119 1.00 0.00 H ATOM 1935 HD11 LEU W 32 -4.574 5.210 6.731 1.00 0.00 H ATOM 1936 HD12 LEU W 32 -4.955 6.867 6.203 1.00 0.00 H ATOM 1937 HD13 LEU W 32 -5.009 6.450 7.933 1.00 0.00 H ATOM 1938 H LEU W 32 -7.145 2.589 5.588 1.00 0.00 H ATOM 1939 N VAL W 33 -9.852 5.167 3.566 1.00 18.45 N ATOM 1940 CA VAL W 33 -10.441 5.263 2.226 1.00 18.41 C ATOM 1941 C VAL W 33 -10.288 6.671 1.650 1.00 19.41 C ATOM 1942 O VAL W 33 -10.460 7.665 2.358 1.00 20.16 O ATOM 1943 CB VAL W 33 -11.945 4.889 2.241 1.00 17.90 C ATOM 1944 CG1 VAL W 33 -12.497 4.785 0.825 1.00 18.32 C ATOM 1945 CG2 VAL W 33 -12.177 3.587 2.997 1.00 21.03 C ATOM 1946 HA VAL W 33 -9.901 4.556 1.597 1.00 0.00 H ATOM 1947 HB VAL W 33 -12.478 5.686 2.759 1.00 0.00 H ATOM 1948 HG11 VAL W 33 -12.380 5.744 0.319 1.00 0.00 H ATOM 1949 HG12 VAL W 33 -11.951 4.016 0.279 1.00 0.00 H ATOM 1950 HG13 VAL W 33 -13.554 4.521 0.867 1.00 0.00 H ATOM 1951 HG21 VAL W 33 -11.621 2.784 2.513 1.00 0.00 H ATOM 1952 HG22 VAL W 33 -11.834 3.700 4.026 1.00 0.00 H ATOM 1953 HG23 VAL W 33 -13.241 3.350 2.991 1.00 0.00 H ATOM 1954 H VAL W 33 -10.295 5.686 4.351 1.00 0.00 H ATOM 1955 N ASP W 34 -9.969 6.744 0.361 1.00 19.50 N ATOM 1956 CA ASP W 34 -9.797 8.025 -0.319 1.00 18.81 C ATOM 1957 C ASP W 34 -11.153 8.646 -0.641 1.00 17.77 C ATOM 1958 O ASP W 34 -12.060 7.961 -1.114 1.00 16.63 O ATOM 1959 CB ASP W 34 -8.999 7.837 -1.608 1.00 28.26 C ATOM 1960 CG ASP W 34 -8.383 9.130 -2.104 1.00 43.50 C ATOM 1961 OD1 ASP W 34 -7.714 9.815 -1.302 1.00 46.19 O ATOM 1962 OD2 ASP W 34 -8.568 9.458 -3.296 1.00 52.14 O ATOM 1963 HA ASP W 34 -9.251 8.694 0.346 1.00 0.00 H ATOM 1964 HB2 ASP W 34 -8.201 7.118 -1.424 1.00 0.00 H ATOM 1965 HB3 ASP W 34 -9.665 7.449 -2.378 1.00 0.00 H ATOM 1966 H ASP W 34 -9.838 5.864 -0.178 1.00 0.00 H ATOM 1967 N ILE W 35 -11.295 9.943 -0.372 1.00 18.59 N ATOM 1968 CA ILE W 35 -12.546 10.648 -0.633 1.00 19.40 C ATOM 1969 C ILE W 35 -12.806 10.732 -2.134 1.00 18.09 C ATOM 1970 O ILE W 35 -13.930 10.539 -2.590 1.00 17.68 O ATOM 1971 CB ILE W 35 -12.542 12.071 -0.018 1.00 16.41 C ATOM 1972 CG1 ILE W 35 -12.173 12.014 1.469 1.00 16.93 C ATOM 1973 CG2 ILE W 35 -13.900 12.745 -0.186 1.00 14.27 C ATOM 1974 CD1 ILE W 35 -11.847 13.370 2.057 1.00 13.20 C ATOM 1975 HA ILE W 35 -13.346 10.079 -0.159 1.00 0.00 H ATOM 1976 HB ILE W 35 -11.794 12.660 -0.549 1.00 0.00 H ATOM 1977 HG12 ILE W 35 -13.014 11.591 2.019 1.00 0.00 H ATOM 1978 HG13 ILE W 35 -11.303 11.368 1.585 1.00 0.00 H ATOM 1979 HD11 ILE W 35 -11.000 13.802 1.524 1.00 0.00 H ATOM 1980 HD12 ILE W 35 -12.712 14.025 1.958 1.00 0.00 H ATOM 1981 HD13 ILE W 35 -11.595 13.256 3.111 1.00 0.00 H ATOM 1982 HG21 ILE W 35 -14.136 12.824 -1.247 1.00 0.00 H ATOM 1983 HG22 ILE W 35 -14.664 12.150 0.315 1.00 0.00 H ATOM 1984 HG23 ILE W 35 -13.867 13.741 0.255 1.00 0.00 H ATOM 1985 H ILE W 35 -10.494 10.467 0.034 1.00 0.00 H ATOM 1986 N PHE W 36 -11.752 11.005 -2.898 1.00 18.88 N ATOM 1987 CA PHE W 36 -11.866 11.101 -4.349 1.00 23.43 C ATOM 1988 C PHE W 36 -12.306 9.769 -4.974 1.00 24.91 C ATOM 1989 O PHE W 36 -12.842 9.752 -6.083 1.00 25.52 O ATOM 1990 CB PHE W 36 -10.532 11.558 -4.953 1.00 25.30 C ATOM 1991 CG PHE W 36 -10.423 13.049 -5.097 1.00 25.22 C ATOM 1992 CD1 PHE W 36 -10.239 13.854 -3.983 1.00 28.07 C ATOM 1993 CD2 PHE W 36 -10.506 13.646 -6.345 1.00 32.83 C ATOM 1994 CE1 PHE W 36 -10.144 15.227 -4.112 1.00 29.32 C ATOM 1995 CE2 PHE W 36 -10.409 15.019 -6.480 1.00 33.96 C ATOM 1996 CZ PHE W 36 -10.227 15.810 -5.362 1.00 31.36 C ATOM 1997 HA PHE W 36 -12.635 11.840 -4.575 1.00 0.00 H ATOM 1998 HB2 PHE W 36 -9.724 11.213 -4.308 1.00 0.00 H ATOM 1999 HB3 PHE W 36 -10.426 11.107 -5.939 1.00 0.00 H ATOM 2000 HD2 PHE W 36 -10.649 13.026 -7.230 1.00 0.00 H ATOM 2001 HE2 PHE W 36 -10.476 15.476 -7.467 1.00 0.00 H ATOM 2002 HZ PHE W 36 -10.149 16.892 -5.466 1.00 0.00 H ATOM 2003 HE1 PHE W 36 -10.004 15.849 -3.228 1.00 0.00 H ATOM 2004 HD1 PHE W 36 -10.169 13.399 -2.995 1.00 0.00 H ATOM 2005 H PHE W 36 -10.825 11.153 -2.450 1.00 0.00 H ATOM 2006 N GLN W 37 -12.081 8.653 -4.267 1.00 24.19 N ATOM 2007 CA GLN W 37 -12.463 7.338 -4.777 1.00 26.30 C ATOM 2008 C GLN W 37 -13.951 7.064 -4.551 1.00 25.41 C ATOM 2009 O GLN W 37 -14.576 6.331 -5.318 1.00 25.23 O ATOM 2010 CB GLN W 37 -11.628 6.247 -4.106 1.00 24.43 C ATOM 2011 CG GLN W 37 -11.607 4.941 -4.881 1.00 40.88 C ATOM 2012 CD GLN W 37 -10.726 5.008 -6.115 1.00 46.28 C ATOM 2013 OE1 GLN W 37 -11.221 5.092 -7.240 1.00 54.14 O ATOM 2014 NE2 GLN W 37 -9.413 4.971 -5.914 1.00 40.20 N ATOM 2015 HA GLN W 37 -12.274 7.330 -5.850 1.00 0.00 H ATOM 2016 HB2 GLN W 37 -10.604 6.607 -4.007 1.00 0.00 H ATOM 2017 HB3 GLN W 37 -12.041 6.055 -3.116 1.00 0.00 H ATOM 2018 HG2 GLN W 37 -11.233 4.153 -4.227 1.00 0.00 H ATOM 2019 HG3 GLN W 37 -12.624 4.702 -5.191 1.00 0.00 H ATOM 2020 HE22 GLN W 37 -9.037 4.900 -4.947 1.00 0.00 H ATOM 2021 HE21 GLN W 37 -8.762 5.013 -6.724 1.00 0.00 H ATOM 2022 H GLN W 37 -11.625 8.724 -3.335 1.00 0.00 H ATOM 2023 N GLU W 38 -14.516 7.651 -3.494 1.00 23.91 N ATOM 2024 CA GLU W 38 -15.929 7.461 -3.180 1.00 22.27 C ATOM 2025 C GLU W 38 -16.784 8.548 -3.829 1.00 20.33 C ATOM 2026 O GLU W 38 -17.848 8.268 -4.380 1.00 18.93 O ATOM 2027 CB GLU W 38 -16.138 7.462 -1.664 1.00 24.44 C ATOM 2028 CG GLU W 38 -15.458 6.300 -0.961 1.00 35.81 C ATOM 2029 CD GLU W 38 -16.078 4.960 -1.313 1.00 39.54 C ATOM 2030 OE1 GLU W 38 -17.313 4.830 -1.193 1.00 39.77 O ATOM 2031 OE2 GLU W 38 -15.326 4.044 -1.707 1.00 30.51 O ATOM 2032 HA GLU W 38 -16.240 6.497 -3.582 1.00 0.00 H ATOM 2033 HB2 GLU W 38 -15.738 8.392 -1.260 1.00 0.00 H ATOM 2034 HB3 GLU W 38 -17.208 7.410 -1.462 1.00 0.00 H ATOM 2035 HG2 GLU W 38 -14.407 6.285 -1.249 1.00 0.00 H ATOM 2036 HG3 GLU W 38 -15.537 6.449 0.116 1.00 0.00 H ATOM 2037 H GLU W 38 -13.936 8.258 -2.880 1.00 0.00 H ATOM 2038 N TYR W 39 -16.310 9.788 -3.759 1.00 18.02 N ATOM 2039 CA TYR W 39 -17.029 10.923 -4.348 1.00 19.86 C ATOM 2040 C TYR W 39 -16.350 11.384 -5.645 1.00 20.70 C ATOM 2041 O TYR W 39 -15.493 12.269 -5.612 1.00 18.82 O ATOM 2042 CB TYR W 39 -17.093 12.099 -3.360 1.00 20.12 C ATOM 2043 CG TYR W 39 -17.658 11.757 -1.991 1.00 17.98 C ATOM 2044 CD1 TYR W 39 -18.695 10.838 -1.834 1.00 14.97 C ATOM 2045 CD2 TYR W 39 -17.154 12.373 -0.852 1.00 20.00 C ATOM 2046 CE1 TYR W 39 -19.208 10.550 -0.582 1.00 15.04 C ATOM 2047 CE2 TYR W 39 -17.659 12.085 0.400 1.00 17.74 C ATOM 2048 CZ TYR W 39 -18.686 11.173 0.531 1.00 20.10 C ATOM 2049 OH TYR W 39 -19.196 10.890 1.777 1.00 21.25 O ATOM 2050 HA TYR W 39 -18.042 10.591 -4.575 1.00 0.00 H ATOM 2051 HB3 TYR W 39 -17.718 12.877 -3.799 1.00 0.00 H ATOM 2052 HB2 TYR W 39 -16.082 12.481 -3.223 1.00 0.00 H ATOM 2053 HD2 TYR W 39 -16.345 13.097 -0.949 1.00 0.00 H ATOM 2054 HE2 TYR W 39 -17.248 12.576 1.282 1.00 0.00 H ATOM 2055 HE1 TYR W 39 -20.022 9.833 -0.476 1.00 0.00 H ATOM 2056 HD1 TYR W 39 -19.108 10.339 -2.711 1.00 0.00 H ATOM 2057 HH TYR W 39 -19.921 10.221 1.692 1.00 0.00 H ATOM 2058 H TYR W 39 -15.406 9.958 -3.274 1.00 0.00 H ATOM 2059 N PRO W 40 -16.710 10.801 -6.819 1.00 20.82 N ATOM 2060 CA PRO W 40 -16.100 11.195 -8.093 1.00 21.35 C ATOM 2061 C PRO W 40 -16.630 12.525 -8.651 1.00 20.40 C ATOM 2062 O PRO W 40 -16.080 13.046 -9.622 1.00 24.35 O ATOM 2063 CB PRO W 40 -16.476 10.043 -9.025 1.00 23.15 C ATOM 2064 CG PRO W 40 -17.777 9.548 -8.502 1.00 22.70 C ATOM 2065 CD PRO W 40 -17.718 9.727 -7.005 1.00 22.48 C ATOM 2066 HA PRO W 40 -15.029 11.362 -7.982 1.00 0.00 H ATOM 2067 HD3 PRO W 40 -18.688 10.031 -6.611 1.00 0.00 H ATOM 2068 HD2 PRO W 40 -17.401 8.806 -6.515 1.00 0.00 H ATOM 2069 HG3 PRO W 40 -17.911 8.496 -8.753 1.00 0.00 H ATOM 2070 HG2 PRO W 40 -18.599 10.128 -8.921 1.00 0.00 H ATOM 2071 HB2 PRO W 40 -16.582 10.396 -10.051 1.00 0.00 H ATOM 2072 HB3 PRO W 40 -15.722 9.257 -8.989 1.00 0.00 H ATOM 2073 N ASP W 41 -17.695 13.074 -8.052 1.00 21.05 N ATOM 2074 CA ASP W 41 -18.270 14.336 -8.524 1.00 26.81 C ATOM 2075 C ASP W 41 -17.786 15.540 -7.703 1.00 22.71 C ATOM 2076 O ASP W 41 -18.440 16.582 -7.687 1.00 22.40 O ATOM 2077 CB ASP W 41 -19.796 14.264 -8.473 1.00 30.80 C ATOM 2078 CG ASP W 41 -20.309 13.927 -7.087 1.00 34.63 C ATOM 2079 OD1 ASP W 41 -19.983 12.829 -6.585 1.00 36.87 O ATOM 2080 OD2 ASP W 41 -21.034 14.758 -6.503 1.00 42.50 O ATOM 2081 HA ASP W 41 -17.935 14.480 -9.551 1.00 0.00 H ATOM 2082 HB2 ASP W 41 -20.203 15.230 -8.773 1.00 0.00 H ATOM 2083 HB3 ASP W 41 -20.135 13.496 -9.169 1.00 0.00 H ATOM 2084 H ASP W 41 -18.123 12.594 -7.234 1.00 0.00 H ATOM 2085 N GLU W 42 -16.637 15.405 -7.037 1.00 21.09 N ATOM 2086 CA GLU W 42 -16.078 16.496 -6.239 1.00 22.89 C ATOM 2087 C GLU W 42 -14.590 16.642 -6.538 1.00 21.00 C ATOM 2088 O GLU W 42 -13.751 16.059 -5.852 1.00 20.70 O ATOM 2089 CB GLU W 42 -16.291 16.235 -4.745 1.00 24.38 C ATOM 2090 CG GLU W 42 -17.748 16.005 -4.374 1.00 23.49 C ATOM 2091 CD GLU W 42 -18.469 17.290 -4.016 1.00 28.75 C ATOM 2092 OE1 GLU W 42 -18.673 18.128 -4.919 1.00 28.52 O ATOM 2093 OE2 GLU W 42 -18.831 17.458 -2.832 1.00 31.85 O ATOM 2094 HA GLU W 42 -16.591 17.421 -6.503 1.00 0.00 H ATOM 2095 HB2 GLU W 42 -15.719 15.351 -4.463 1.00 0.00 H ATOM 2096 HB3 GLU W 42 -15.924 17.097 -4.188 1.00 0.00 H ATOM 2097 HG2 GLU W 42 -18.256 15.544 -5.221 1.00 0.00 H ATOM 2098 HG3 GLU W 42 -17.788 15.332 -3.518 1.00 0.00 H ATOM 2099 H GLU W 42 -16.126 14.501 -7.087 1.00 0.00 H ATOM 2100 N ILE W 43 -14.271 17.399 -7.587 1.00 20.51 N ATOM 2101 CA ILE W 43 -12.881 17.596 -8.005 1.00 22.94 C ATOM 2102 C ILE W 43 -12.428 19.046 -7.829 1.00 21.50 C ATOM 2103 O ILE W 43 -11.244 19.310 -7.616 1.00 20.46 O ATOM 2104 CB ILE W 43 -12.666 17.206 -9.492 1.00 22.82 C ATOM 2105 CG1 ILE W 43 -13.383 15.894 -9.843 1.00 26.23 C ATOM 2106 CG2 ILE W 43 -11.182 17.087 -9.791 1.00 25.20 C ATOM 2107 CD1 ILE W 43 -12.959 14.724 -8.986 1.00 27.36 C ATOM 2108 HA ILE W 43 -12.287 16.947 -7.361 1.00 0.00 H ATOM 2109 HB ILE W 43 -13.097 17.995 -10.109 1.00 0.00 H ATOM 2110 HG12 ILE W 43 -14.455 16.043 -9.717 1.00 0.00 H ATOM 2111 HG13 ILE W 43 -13.171 15.653 -10.885 1.00 0.00 H ATOM 2112 HD11 ILE W 43 -11.889 14.554 -9.109 1.00 0.00 H ATOM 2113 HD12 ILE W 43 -13.175 14.944 -7.941 1.00 0.00 H ATOM 2114 HD13 ILE W 43 -13.508 13.833 -9.292 1.00 0.00 H ATOM 2115 HG21 ILE W 43 -10.696 18.043 -9.597 1.00 0.00 H ATOM 2116 HG22 ILE W 43 -10.744 16.320 -9.152 1.00 0.00 H ATOM 2117 HG23 ILE W 43 -11.044 16.813 -10.837 1.00 0.00 H ATOM 2118 H ILE W 43 -15.031 17.863 -8.124 1.00 0.00 H ATOM 2119 N GLU W 44 -13.365 19.981 -7.946 1.00 21.14 N ATOM 2120 CA GLU W 44 -13.050 21.404 -7.829 1.00 21.66 C ATOM 2121 C GLU W 44 -12.799 21.847 -6.380 1.00 24.30 C ATOM 2122 O GLU W 44 -12.243 22.921 -6.158 1.00 28.19 O ATOM 2123 CB GLU W 44 -14.181 22.242 -8.431 1.00 19.84 C ATOM 2124 CG GLU W 44 -15.536 21.970 -7.795 1.00 19.76 C ATOM 2125 CD GLU W 44 -16.401 21.038 -8.626 1.00 31.19 C ATOM 2126 OE1 GLU W 44 -16.439 21.210 -9.862 1.00 31.14 O ATOM 2127 OE2 GLU W 44 -17.037 20.139 -8.039 1.00 31.83 O ATOM 2128 HA GLU W 44 -12.123 21.565 -8.380 1.00 0.00 H ATOM 2129 HB2 GLU W 44 -13.940 23.296 -8.296 1.00 0.00 H ATOM 2130 HB3 GLU W 44 -14.248 22.020 -9.496 1.00 0.00 H ATOM 2131 HG2 GLU W 44 -15.377 21.517 -6.816 1.00 0.00 H ATOM 2132 HG3 GLU W 44 -16.061 22.918 -7.675 1.00 0.00 H ATOM 2133 H GLU W 44 -14.348 19.693 -8.125 1.00 0.00 H ATOM 2134 N TYR W 45 -13.215 21.039 -5.395 1.00 24.94 N ATOM 2135 CA TYR W 45 -13.028 21.396 -3.982 1.00 22.85 C ATOM 2136 C TYR W 45 -12.048 20.456 -3.280 1.00 24.15 C ATOM 2137 O TYR W 45 -12.411 19.340 -2.905 1.00 23.40 O ATOM 2138 CB TYR W 45 -14.368 21.363 -3.245 1.00 19.22 C ATOM 2139 CG TYR W 45 -15.466 22.138 -3.940 1.00 20.95 C ATOM 2140 CD1 TYR W 45 -15.381 23.515 -4.093 1.00 27.32 C ATOM 2141 CD2 TYR W 45 -16.588 21.489 -4.439 1.00 21.39 C ATOM 2142 CE1 TYR W 45 -16.384 24.227 -4.723 1.00 29.09 C ATOM 2143 CE2 TYR W 45 -17.595 22.194 -5.072 1.00 25.10 C ATOM 2144 CZ TYR W 45 -17.489 23.562 -5.210 1.00 32.05 C ATOM 2145 OH TYR W 45 -18.490 24.266 -5.840 1.00 31.20 O ATOM 2146 HA TYR W 45 -12.613 22.404 -3.958 1.00 0.00 H ATOM 2147 HB3 TYR W 45 -14.224 21.786 -2.251 1.00 0.00 H ATOM 2148 HB2 TYR W 45 -14.685 20.324 -3.154 1.00 0.00 H ATOM 2149 HD2 TYR W 45 -16.676 20.408 -4.330 1.00 0.00 H ATOM 2150 HE2 TYR W 45 -18.469 21.671 -5.460 1.00 0.00 H ATOM 2151 HE1 TYR W 45 -16.302 25.308 -4.834 1.00 0.00 H ATOM 2152 HD1 TYR W 45 -14.508 24.044 -3.710 1.00 0.00 H ATOM 2153 HH TYR W 45 -18.257 25.228 -5.853 1.00 0.00 H ATOM 2154 H TYR W 45 -13.680 20.140 -5.636 1.00 0.00 H ATOM 2155 N ILE W 46 -10.807 20.916 -3.098 1.00 24.18 N ATOM 2156 CA ILE W 46 -9.780 20.114 -2.418 1.00 21.43 C ATOM 2157 C ILE W 46 -10.208 19.796 -0.984 1.00 21.60 C ATOM 2158 O ILE W 46 -10.575 20.695 -0.229 1.00 20.52 O ATOM 2159 CB ILE W 46 -8.400 20.826 -2.365 1.00 25.52 C ATOM 2160 CG1 ILE W 46 -8.007 21.436 -3.719 1.00 21.82 C ATOM 2161 CG2 ILE W 46 -7.325 19.847 -1.911 1.00 21.16 C ATOM 2162 CD1 ILE W 46 -7.951 20.435 -4.851 1.00 29.98 C ATOM 2163 HA ILE W 46 -9.676 19.200 -3.002 1.00 0.00 H ATOM 2164 HB ILE W 46 -8.485 21.643 -1.648 1.00 0.00 H ATOM 2165 HG12 ILE W 46 -8.738 22.203 -3.975 1.00 0.00 H ATOM 2166 HG13 ILE W 46 -7.023 21.894 -3.617 1.00 0.00 H ATOM 2167 HD11 ILE W 46 -7.215 19.666 -4.618 1.00 0.00 H ATOM 2168 HD12 ILE W 46 -8.931 19.975 -4.977 1.00 0.00 H ATOM 2169 HD13 ILE W 46 -7.667 20.945 -5.771 1.00 0.00 H ATOM 2170 HG21 ILE W 46 -7.573 19.471 -0.918 1.00 0.00 H ATOM 2171 HG22 ILE W 46 -7.273 19.015 -2.613 1.00 0.00 H ATOM 2172 HG23 ILE W 46 -6.362 20.357 -1.877 1.00 0.00 H ATOM 2173 H ILE W 46 -10.562 21.865 -3.446 1.00 0.00 H ATOM 2174 N PHE W 47 -10.173 18.515 -0.618 1.00 20.05 N ATOM 2175 CA PHE W 47 -10.577 18.096 0.721 1.00 17.98 C ATOM 2176 C PHE W 47 -9.378 17.970 1.657 1.00 17.21 C ATOM 2177 O PHE W 47 -8.322 17.468 1.272 1.00 17.75 O ATOM 2178 CB PHE W 47 -11.321 16.762 0.652 1.00 17.67 C ATOM 2179 CG PHE W 47 -12.627 16.842 -0.085 1.00 22.55 C ATOM 2180 CD1 PHE W 47 -13.654 17.647 0.384 1.00 22.18 C ATOM 2181 CD2 PHE W 47 -12.828 16.116 -1.248 1.00 19.49 C ATOM 2182 CE1 PHE W 47 -14.856 17.723 -0.293 1.00 25.50 C ATOM 2183 CE2 PHE W 47 -14.029 16.190 -1.929 1.00 17.66 C ATOM 2184 CZ PHE W 47 -15.044 16.993 -1.451 1.00 18.70 C ATOM 2185 HA PHE W 47 -11.239 18.864 1.122 1.00 0.00 H ATOM 2186 HB2 PHE W 47 -10.683 16.037 0.147 1.00 0.00 H ATOM 2187 HB3 PHE W 47 -11.519 16.424 1.669 1.00 0.00 H ATOM 2188 HD2 PHE W 47 -12.030 15.479 -1.630 1.00 0.00 H ATOM 2189 HE2 PHE W 47 -14.174 15.614 -2.843 1.00 0.00 H ATOM 2190 HZ PHE W 47 -15.992 17.051 -1.986 1.00 0.00 H ATOM 2191 HE1 PHE W 47 -15.656 18.359 0.086 1.00 0.00 H ATOM 2192 HD1 PHE W 47 -13.512 18.226 1.296 1.00 0.00 H ATOM 2193 H PHE W 47 -9.851 17.799 -1.300 1.00 0.00 H ATOM 2194 N LYS W 48 -9.559 18.426 2.898 1.00 18.90 N ATOM 2195 CA LYS W 48 -8.506 18.360 3.912 1.00 19.54 C ATOM 2196 C LYS W 48 -9.056 17.749 5.215 1.00 19.08 C ATOM 2197 O LYS W 48 -9.808 18.416 5.925 1.00 20.00 O ATOM 2198 CB LYS W 48 -7.956 19.764 4.196 1.00 23.03 C ATOM 2199 CG LYS W 48 -6.724 19.752 5.090 1.00 28.93 C ATOM 2200 CD LYS W 48 -5.877 21.007 4.907 1.00 34.45 C ATOM 2201 CE LYS W 48 -4.725 20.774 3.941 1.00 30.35 C ATOM 2202 NZ LYS W 48 -5.187 20.185 2.654 1.00 31.52 N ATOM 2203 HA LYS W 48 -7.702 17.729 3.534 1.00 0.00 H ATOM 2204 HB2 LYS W 48 -7.693 20.232 3.248 1.00 0.00 H ATOM 2205 HB3 LYS W 48 -8.734 20.350 4.685 1.00 0.00 H ATOM 2206 HG2 LYS W 48 -7.044 19.691 6.130 1.00 0.00 H ATOM 2207 HG3 LYS W 48 -6.119 18.879 4.845 1.00 0.00 H ATOM 2208 HD2 LYS W 48 -6.508 21.806 4.518 1.00 0.00 H ATOM 2209 HD3 LYS W 48 -5.472 21.304 5.874 1.00 0.00 H ATOM 2210 HE2 LYS W 48 -4.010 20.094 4.403 1.00 0.00 H ATOM 2211 HE3 LYS W 48 -4.238 21.728 3.737 1.00 0.00 H ATOM 2212 HZ1 LYS W 48 -5.647 19.271 2.838 1.00 0.00 H ATOM 2213 HZ2 LYS W 48 -5.865 20.831 2.202 1.00 0.00 H ATOM 2214 HZ3 LYS W 48 -4.370 20.043 2.026 1.00 0.00 H ATOM 2215 H LYS W 48 -10.478 18.842 3.153 1.00 0.00 H ATOM 2216 N PRO W 49 -8.715 16.474 5.572 1.00 18.89 N ATOM 2217 CA PRO W 49 -7.823 15.588 4.799 1.00 18.40 C ATOM 2218 C PRO W 49 -8.507 14.980 3.579 1.00 15.52 C ATOM 2219 O PRO W 49 -9.733 14.918 3.508 1.00 18.94 O ATOM 2220 CB PRO W 49 -7.468 14.493 5.808 1.00 14.98 C ATOM 2221 CG PRO W 49 -8.652 14.411 6.703 1.00 14.79 C ATOM 2222 CD PRO W 49 -9.197 15.812 6.804 1.00 18.07 C ATOM 2223 HA PRO W 49 -6.964 16.126 4.398 1.00 0.00 H ATOM 2224 HD3 PRO W 49 -10.286 15.803 6.838 1.00 0.00 H ATOM 2225 HD2 PRO W 49 -8.811 16.315 7.691 1.00 0.00 H ATOM 2226 HG3 PRO W 49 -8.358 14.047 7.688 1.00 0.00 H ATOM 2227 HG2 PRO W 49 -9.402 13.743 6.279 1.00 0.00 H ATOM 2228 HB2 PRO W 49 -7.301 13.542 5.302 1.00 0.00 H ATOM 2229 HB3 PRO W 49 -6.576 14.764 6.373 1.00 0.00 H ATOM 2230 N SER W 50 -7.703 14.531 2.620 1.00 15.44 N ATOM 2231 CA SER W 50 -8.224 13.926 1.399 1.00 16.83 C ATOM 2232 C SER W 50 -8.703 12.476 1.613 1.00 15.34 C ATOM 2233 O SER W 50 -9.287 11.887 0.704 1.00 17.23 O ATOM 2234 CB SER W 50 -7.155 13.956 0.306 1.00 18.85 C ATOM 2235 OG SER W 50 -6.025 13.188 0.681 1.00 21.16 O ATOM 2236 HA SER W 50 -9.090 14.514 1.096 1.00 0.00 H ATOM 2237 HB2 SER W 50 -6.846 14.987 0.138 1.00 0.00 H ATOM 2238 HB3 SER W 50 -7.574 13.549 -0.614 1.00 0.00 H ATOM 2239 HG SER W 50 -5.349 13.223 -0.041 1.00 0.00 H ATOM 2240 H SER W 50 -6.674 14.613 2.744 1.00 0.00 H ATOM 2241 N CYS W 51 -8.462 11.899 2.801 1.00 15.45 N ATOM 2242 CA CYS W 51 -8.881 10.528 3.084 1.00 16.40 C ATOM 2243 C CYS W 51 -9.536 10.447 4.461 1.00 17.08 C ATOM 2244 O CYS W 51 -9.398 11.362 5.273 1.00 16.57 O ATOM 2245 CB CYS W 51 -7.680 9.581 3.008 1.00 19.71 C ATOM 2246 SG CYS W 51 -6.350 9.951 4.202 1.00 21.21 S ATOM 2247 HA CYS W 51 -9.612 10.224 2.334 1.00 0.00 H ATOM 2248 HB2 CYS W 51 -7.262 9.640 2.003 1.00 0.00 H ATOM 2249 HB3 CYS W 51 -8.033 8.567 3.194 1.00 0.00 H ATOM 2250 H CYS W 51 -7.965 12.440 3.537 1.00 0.00 H ATOM 2251 N VAL W 52 -10.253 9.353 4.720 1.00 14.15 N ATOM 2252 CA VAL W 52 -10.931 9.171 6.004 1.00 15.98 C ATOM 2253 C VAL W 52 -10.846 7.716 6.487 1.00 15.04 C ATOM 2254 O VAL W 52 -10.967 6.791 5.684 1.00 16.97 O ATOM 2255 CB VAL W 52 -12.416 9.579 5.910 1.00 16.18 C ATOM 2256 CG1 VAL W 52 -12.548 11.076 5.674 1.00 19.43 C ATOM 2257 CG2 VAL W 52 -13.127 8.794 4.813 1.00 12.40 C ATOM 2258 HA VAL W 52 -10.421 9.814 6.721 1.00 0.00 H ATOM 2259 HB VAL W 52 -12.894 9.340 6.860 1.00 0.00 H ATOM 2260 HG11 VAL W 52 -12.085 11.615 6.501 1.00 0.00 H ATOM 2261 HG12 VAL W 52 -12.049 11.341 4.742 1.00 0.00 H ATOM 2262 HG13 VAL W 52 -13.603 11.341 5.611 1.00 0.00 H ATOM 2263 HG21 VAL W 52 -12.647 8.994 3.855 1.00 0.00 H ATOM 2264 HG22 VAL W 52 -13.069 7.728 5.035 1.00 0.00 H ATOM 2265 HG23 VAL W 52 -14.172 9.101 4.768 1.00 0.00 H ATOM 2266 H VAL W 52 -10.332 8.613 3.994 1.00 0.00 H ATOM 2267 N PRO W 53 -10.646 7.477 7.811 1.00 18.15 N ATOM 2268 CA PRO W 53 -10.562 6.114 8.348 1.00 16.28 C ATOM 2269 C PRO W 53 -11.932 5.456 8.476 1.00 15.53 C ATOM 2270 O PRO W 53 -12.825 5.984 9.137 1.00 18.35 O ATOM 2271 CB PRO W 53 -9.934 6.321 9.724 1.00 17.65 C ATOM 2272 CG PRO W 53 -10.395 7.672 10.148 1.00 16.29 C ATOM 2273 CD PRO W 53 -10.489 8.492 8.885 1.00 14.81 C ATOM 2274 HA PRO W 53 -9.991 5.450 7.699 1.00 0.00 H ATOM 2275 HD3 PRO W 53 -11.351 9.159 8.918 1.00 0.00 H ATOM 2276 HD2 PRO W 53 -9.583 9.079 8.735 1.00 0.00 H ATOM 2277 HG3 PRO W 53 -9.679 8.118 10.838 1.00 0.00 H ATOM 2278 HG2 PRO W 53 -11.370 7.606 10.631 1.00 0.00 H ATOM 2279 HB2 PRO W 53 -10.279 5.559 10.423 1.00 0.00 H ATOM 2280 HB3 PRO W 53 -8.846 6.288 9.660 1.00 0.00 H ATOM 2281 N LEU W 54 -12.091 4.299 7.837 1.00 14.44 N ATOM 2282 CA LEU W 54 -13.355 3.564 7.878 1.00 18.24 C ATOM 2283 C LEU W 54 -13.114 2.079 8.126 1.00 18.04 C ATOM 2284 O LEU W 54 -12.138 1.509 7.639 1.00 20.24 O ATOM 2285 CB LEU W 54 -14.120 3.757 6.567 1.00 17.00 C ATOM 2286 CG LEU W 54 -14.351 5.215 6.172 1.00 16.21 C ATOM 2287 CD1 LEU W 54 -14.845 5.308 4.737 1.00 17.26 C ATOM 2288 CD2 LEU W 54 -15.343 5.870 7.121 1.00 14.05 C ATOM 2289 HA LEU W 54 -13.951 3.958 8.702 1.00 0.00 H ATOM 2290 HB2 LEU W 54 -13.555 3.274 5.770 1.00 0.00 H ATOM 2291 HB3 LEU W 54 -15.092 3.274 6.666 1.00 0.00 H ATOM 2292 HG LEU W 54 -13.402 5.746 6.243 1.00 0.00 H ATOM 2293 HD21 LEU W 54 -16.292 5.335 7.079 1.00 0.00 H ATOM 2294 HD22 LEU W 54 -14.950 5.835 8.137 1.00 0.00 H ATOM 2295 HD23 LEU W 54 -15.496 6.908 6.825 1.00 0.00 H ATOM 2296 HD11 LEU W 54 -14.101 4.874 4.069 1.00 0.00 H ATOM 2297 HD12 LEU W 54 -15.784 4.762 4.641 1.00 0.00 H ATOM 2298 HD13 LEU W 54 -15.003 6.354 4.476 1.00 0.00 H ATOM 2299 H LEU W 54 -11.295 3.907 7.294 1.00 0.00 H ATOM 2300 N MET W 55 -14.011 1.458 8.886 1.00 18.63 N ATOM 2301 CA MET W 55 -13.897 0.037 9.199 1.00 16.26 C ATOM 2302 C MET W 55 -14.391 -0.817 8.035 1.00 17.32 C ATOM 2303 O MET W 55 -15.597 -0.967 7.834 1.00 17.67 O ATOM 2304 CB MET W 55 -14.692 -0.293 10.464 1.00 17.69 C ATOM 2305 CG MET W 55 -14.196 0.438 11.699 1.00 26.18 C ATOM 2306 SD MET W 55 -12.541 -0.080 12.194 1.00 29.95 S ATOM 2307 CE MET W 55 -12.810 -1.821 12.508 1.00 27.46 C ATOM 2308 HA MET W 55 -12.845 -0.189 9.371 1.00 0.00 H ATOM 2309 HB2 MET W 55 -15.734 -0.021 10.297 1.00 0.00 H ATOM 2310 HB3 MET W 55 -14.622 -1.365 10.646 1.00 0.00 H ATOM 2311 HG2 MET W 55 -14.884 0.241 12.521 1.00 0.00 H ATOM 2312 HG3 MET W 55 -14.179 1.507 11.489 1.00 0.00 H ATOM 2313 HE1 MET W 55 -13.556 -1.936 13.294 1.00 0.00 H ATOM 2314 HE2 MET W 55 -13.163 -2.303 11.596 1.00 0.00 H ATOM 2315 HE3 MET W 55 -11.874 -2.281 12.824 1.00 0.00 H ATOM 2316 H MET W 55 -14.814 1.998 9.267 1.00 0.00 H ATOM 2317 N ARG W 56 -13.453 -1.373 7.272 1.00 17.52 N ATOM 2318 CA ARG W 56 -13.786 -2.217 6.123 1.00 16.72 C ATOM 2319 C ARG W 56 -13.221 -3.623 6.305 1.00 20.36 C ATOM 2320 O ARG W 56 -12.438 -3.869 7.218 1.00 17.67 O ATOM 2321 CB ARG W 56 -13.233 -1.603 4.835 1.00 15.54 C ATOM 2322 CG ARG W 56 -13.725 -0.186 4.577 1.00 17.48 C ATOM 2323 CD ARG W 56 -15.036 -0.163 3.794 1.00 18.06 C ATOM 2324 NE ARG W 56 -14.991 0.788 2.679 1.00 20.35 N ATOM 2325 CZ ARG W 56 -14.463 0.519 1.477 1.00 19.64 C ATOM 2326 NH1 ARG W 56 -13.922 -0.669 1.210 1.00 22.42 N ATOM 2327 NH2 ARG W 56 -14.475 1.451 0.534 1.00 17.11 N ATOM 2328 HA ARG W 56 -14.872 -2.281 6.052 1.00 0.00 H ATOM 2329 HB2 ARG W 56 -12.145 -1.584 4.901 1.00 0.00 H ATOM 2330 HB3 ARG W 56 -13.534 -2.231 3.996 1.00 0.00 H ATOM 2331 HG2 ARG W 56 -13.879 0.312 5.534 1.00 0.00 H ATOM 2332 HG3 ARG W 56 -12.966 0.351 4.007 1.00 0.00 H ATOM 2333 HD2 ARG W 56 -15.844 0.122 4.468 1.00 0.00 H ATOM 2334 HD3 ARG W 56 -15.228 -1.161 3.399 1.00 0.00 H ATOM 2335 HE ARG W 56 -15.396 1.734 2.831 1.00 0.00 H ATOM 2336 HH12 ARG W 56 -13.518 -0.857 0.270 1.00 0.00 H ATOM 2337 HH11 ARG W 56 -13.904 -1.408 1.941 1.00 0.00 H ATOM 2338 HH22 ARG W 56 -14.067 1.250 -0.401 1.00 0.00 H ATOM 2339 HH21 ARG W 56 -14.892 2.383 0.730 1.00 0.00 H ATOM 2340 H ARG W 56 -12.452 -1.203 7.499 1.00 0.00 H ATOM 2341 N CYS W 57 -13.619 -4.540 5.425 1.00 18.88 N ATOM 2342 CA CYS W 57 -13.143 -5.919 5.490 1.00 20.25 C ATOM 2343 C CYS W 57 -11.885 -6.090 4.644 1.00 20.97 C ATOM 2344 O CYS W 57 -11.843 -5.660 3.490 1.00 18.96 O ATOM 2345 CB CYS W 57 -14.228 -6.888 5.006 1.00 20.58 C ATOM 2346 SG CYS W 57 -15.883 -6.577 5.709 1.00 25.83 S ATOM 2347 HA CYS W 57 -12.905 -6.146 6.529 1.00 0.00 H ATOM 2348 HB2 CYS W 57 -13.927 -7.900 5.276 1.00 0.00 H ATOM 2349 HB3 CYS W 57 -14.297 -6.808 3.921 1.00 0.00 H ATOM 2350 H CYS W 57 -14.285 -4.268 4.674 1.00 0.00 H ATOM 2351 N GLY W 58 -10.863 -6.719 5.227 1.00 22.11 N ATOM 2352 CA GLY W 58 -9.613 -6.936 4.515 1.00 19.61 C ATOM 2353 C GLY W 58 -8.961 -8.265 4.861 1.00 21.83 C ATOM 2354 O GLY W 58 -9.246 -8.849 5.906 1.00 18.82 O ATOM 2355 HA3 GLY W 58 -8.922 -6.132 4.770 1.00 0.00 H ATOM 2356 HA2 GLY W 58 -9.814 -6.915 3.444 1.00 0.00 H ATOM 2357 H GLY W 58 -10.961 -7.059 6.205 1.00 0.00 H ATOM 2358 N GLY W 59 -8.082 -8.739 3.977 1.00 24.57 N ATOM 2359 CA GLY W 59 -7.392 -10.005 4.201 1.00 20.99 C ATOM 2360 C GLY W 59 -7.601 -10.990 3.064 1.00 21.40 C ATOM 2361 O GLY W 59 -7.452 -10.639 1.892 1.00 23.09 O ATOM 2362 HA3 GLY W 59 -7.767 -10.450 5.123 1.00 0.00 H ATOM 2363 HA2 GLY W 59 -6.325 -9.809 4.302 1.00 0.00 H ATOM 2364 H GLY W 59 -7.885 -8.196 3.112 1.00 0.00 H ATOM 2365 N CYS W 60 -7.943 -12.228 3.414 1.00 19.78 N ATOM 2366 CA CYS W 60 -8.171 -13.270 2.417 1.00 21.68 C ATOM 2367 C CYS W 60 -9.167 -14.308 2.935 1.00 21.45 C ATOM 2368 O CYS W 60 -9.514 -14.312 4.117 1.00 17.64 O ATOM 2369 CB CYS W 60 -6.848 -13.942 2.040 1.00 21.05 C ATOM 2370 SG CYS W 60 -5.886 -14.556 3.463 1.00 27.37 S ATOM 2371 HA CYS W 60 -8.595 -12.806 1.526 1.00 0.00 H ATOM 2372 HB2 CYS W 60 -6.237 -13.217 1.502 1.00 0.00 H ATOM 2373 HB3 CYS W 60 -7.068 -14.786 1.386 1.00 0.00 H ATOM 2374 H CYS W 60 -8.050 -12.459 4.422 1.00 0.00 H ATOM 2375 N CYS W 61 -9.636 -15.178 2.041 1.00 21.80 N ATOM 2376 CA CYS W 61 -10.605 -16.208 2.407 1.00 20.14 C ATOM 2377 C CYS W 61 -9.924 -17.547 2.694 1.00 20.95 C ATOM 2378 O CYS W 61 -8.700 -17.658 2.630 1.00 23.30 O ATOM 2379 CB CYS W 61 -11.638 -16.376 1.291 1.00 22.63 C ATOM 2380 SG CYS W 61 -12.960 -15.123 1.310 1.00 23.44 S ATOM 2381 HA CYS W 61 -11.105 -15.885 3.320 1.00 0.00 H ATOM 2382 HB2 CYS W 61 -12.096 -17.360 1.393 1.00 0.00 H ATOM 2383 HB3 CYS W 61 -11.121 -16.315 0.333 1.00 0.00 H ATOM 2384 H CYS W 61 -9.303 -15.122 1.057 1.00 0.00 H ATOM 2385 N ASN W 62 -10.732 -18.555 3.014 1.00 21.56 N ATOM 2386 CA ASN W 62 -10.222 -19.890 3.322 1.00 23.91 C ATOM 2387 C ASN W 62 -9.802 -20.638 2.058 1.00 23.42 C ATOM 2388 O ASN W 62 -8.872 -21.443 2.089 1.00 25.24 O ATOM 2389 CB ASN W 62 -11.287 -20.701 4.062 1.00 23.74 C ATOM 2390 CG ASN W 62 -11.395 -20.325 5.528 1.00 25.11 C ATOM 2391 OD1 ASN W 62 -10.854 -19.306 5.960 1.00 23.95 O ATOM 2392 ND2 ASN W 62 -12.094 -21.148 6.303 1.00 23.99 N ATOM 2393 HA ASN W 62 -9.343 -19.768 3.955 1.00 0.00 H ATOM 2394 HB2 ASN W 62 -12.252 -20.528 3.585 1.00 0.00 H ATOM 2395 HB3 ASN W 62 -11.033 -21.759 3.991 1.00 0.00 H ATOM 2396 HD22 ASN W 62 -12.534 -21.998 5.896 1.00 0.00 H ATOM 2397 HD21 ASN W 62 -12.201 -20.942 7.317 1.00 0.00 H ATOM 2398 H ASN W 62 -11.758 -18.388 3.046 1.00 0.00 H ATOM 2399 N ASP W 63 -10.500 -20.382 0.953 1.00 25.40 N ATOM 2400 CA ASP W 63 -10.203 -21.050 -0.318 1.00 24.08 C ATOM 2401 C ASP W 63 -9.925 -20.034 -1.423 1.00 25.95 C ATOM 2402 O ASP W 63 -10.233 -18.850 -1.284 1.00 22.93 O ATOM 2403 CB ASP W 63 -11.377 -21.947 -0.724 1.00 21.47 C ATOM 2404 CG ASP W 63 -10.968 -23.014 -1.722 1.00 28.33 C ATOM 2405 OD1 ASP W 63 -10.069 -23.817 -1.398 1.00 27.06 O ATOM 2406 OD2 ASP W 63 -11.548 -23.045 -2.829 1.00 24.70 O ATOM 2407 HA ASP W 63 -9.309 -21.659 -0.179 1.00 0.00 H ATOM 2408 HB2 ASP W 63 -11.772 -22.434 0.168 1.00 0.00 H ATOM 2409 HB3 ASP W 63 -12.154 -21.327 -1.172 1.00 0.00 H ATOM 2410 H ASP W 63 -11.276 -19.690 0.993 1.00 0.00 H ATOM 2411 N GLU W 64 -9.332 -20.508 -2.515 1.00 24.75 N ATOM 2412 CA GLU W 64 -9.003 -19.649 -3.647 1.00 31.24 C ATOM 2413 C GLU W 64 -10.259 -19.225 -4.406 1.00 31.24 C ATOM 2414 O GLU W 64 -10.303 -18.138 -4.985 1.00 31.71 O ATOM 2415 CB GLU W 64 -8.048 -20.372 -4.599 1.00 37.81 C ATOM 2416 CG GLU W 64 -7.306 -19.434 -5.536 1.00 43.99 C ATOM 2417 CD GLU W 64 -6.667 -20.161 -6.703 1.00 49.03 C ATOM 2418 OE1 GLU W 64 -7.400 -20.546 -7.637 1.00 49.47 O ATOM 2419 OE2 GLU W 64 -5.431 -20.344 -6.683 1.00 47.54 O ATOM 2420 HA GLU W 64 -8.519 -18.754 -3.255 1.00 0.00 H ATOM 2421 HB2 GLU W 64 -7.315 -20.918 -4.005 1.00 0.00 H ATOM 2422 HB3 GLU W 64 -8.625 -21.076 -5.199 1.00 0.00 H ATOM 2423 HG2 GLU W 64 -8.011 -18.700 -5.926 1.00 0.00 H ATOM 2424 HG3 GLU W 64 -6.525 -18.923 -4.973 1.00 0.00 H ATOM 2425 H GLU W 64 -9.096 -21.520 -2.563 1.00 0.00 H ATOM 2426 N GLY W 65 -11.270 -20.094 -4.407 1.00 28.34 N ATOM 2427 CA GLY W 65 -12.510 -19.799 -5.111 1.00 26.74 C ATOM 2428 C GLY W 65 -13.478 -18.915 -4.328 1.00 27.08 C ATOM 2429 O GLY W 65 -14.611 -18.718 -4.764 1.00 24.33 O ATOM 2430 HA3 GLY W 65 -13.010 -20.742 -5.333 1.00 0.00 H ATOM 2431 HA2 GLY W 65 -12.262 -19.292 -6.044 1.00 0.00 H ATOM 2432 H GLY W 65 -11.172 -20.995 -3.898 1.00 0.00 H ATOM 2433 N LEU W 66 -13.046 -18.370 -3.182 1.00 26.08 N ATOM 2434 CA LEU W 66 -13.908 -17.498 -2.378 1.00 23.78 C ATOM 2435 C LEU W 66 -13.495 -16.041 -2.547 1.00 21.33 C ATOM 2436 O LEU W 66 -12.550 -15.744 -3.275 1.00 21.06 O ATOM 2437 CB LEU W 66 -13.829 -17.888 -0.901 1.00 22.97 C ATOM 2438 CG LEU W 66 -14.609 -19.148 -0.528 1.00 25.62 C ATOM 2439 CD1 LEU W 66 -14.295 -19.564 0.899 1.00 23.62 C ATOM 2440 CD2 LEU W 66 -16.103 -18.920 -0.703 1.00 18.27 C ATOM 2441 HA LEU W 66 -14.935 -17.618 -2.723 1.00 0.00 H ATOM 2442 HB2 LEU W 66 -12.781 -18.050 -0.649 1.00 0.00 H ATOM 2443 HB3 LEU W 66 -14.220 -17.060 -0.310 1.00 0.00 H ATOM 2444 HG LEU W 66 -14.304 -19.954 -1.196 1.00 0.00 H ATOM 2445 HD21 LEU W 66 -16.422 -18.101 -0.058 1.00 0.00 H ATOM 2446 HD22 LEU W 66 -16.311 -18.668 -1.743 1.00 0.00 H ATOM 2447 HD23 LEU W 66 -16.642 -19.828 -0.433 1.00 0.00 H ATOM 2448 HD11 LEU W 66 -13.228 -19.767 0.991 1.00 0.00 H ATOM 2449 HD12 LEU W 66 -14.573 -18.760 1.580 1.00 0.00 H ATOM 2450 HD13 LEU W 66 -14.860 -20.463 1.147 1.00 0.00 H ATOM 2451 H LEU W 66 -12.079 -18.570 -2.856 1.00 0.00 H ATOM 2452 N GLU W 67 -14.200 -15.137 -1.863 1.00 19.14 N ATOM 2453 CA GLU W 67 -13.892 -13.718 -1.931 1.00 19.47 C ATOM 2454 C GLU W 67 -14.364 -13.008 -0.664 1.00 19.79 C ATOM 2455 O GLU W 67 -15.504 -13.181 -0.231 1.00 21.58 O ATOM 2456 CB GLU W 67 -14.549 -13.085 -3.160 1.00 19.75 C ATOM 2457 CG GLU W 67 -16.035 -13.385 -3.277 1.00 25.71 C ATOM 2458 CD GLU W 67 -16.756 -12.414 -4.193 1.00 32.53 C ATOM 2459 OE1 GLU W 67 -16.548 -11.191 -4.049 1.00 33.41 O ATOM 2460 OE2 GLU W 67 -17.529 -12.879 -5.058 1.00 36.04 O ATOM 2461 HA GLU W 67 -12.811 -13.607 -2.015 1.00 0.00 H ATOM 2462 HB2 GLU W 67 -14.419 -12.004 -3.103 1.00 0.00 H ATOM 2463 HB3 GLU W 67 -14.049 -13.463 -4.052 1.00 0.00 H ATOM 2464 HG2 GLU W 67 -16.158 -14.394 -3.671 1.00 0.00 H ATOM 2465 HG3 GLU W 67 -16.482 -13.327 -2.285 1.00 0.00 H ATOM 2466 H GLU W 67 -14.990 -15.456 -1.266 1.00 0.00 H ATOM 2467 N CYS W 68 -13.476 -12.210 -0.080 1.00 19.05 N ATOM 2468 CA CYS W 68 -13.791 -11.467 1.137 1.00 17.37 C ATOM 2469 C CYS W 68 -14.641 -10.239 0.813 1.00 21.39 C ATOM 2470 O CYS W 68 -14.145 -9.257 0.262 1.00 20.70 O ATOM 2471 CB CYS W 68 -12.492 -11.054 1.843 1.00 19.41 C ATOM 2472 SG CYS W 68 -12.729 -10.096 3.377 1.00 22.04 S ATOM 2473 HA CYS W 68 -14.367 -12.109 1.804 1.00 0.00 H ATOM 2474 HB2 CYS W 68 -11.907 -10.448 1.151 1.00 0.00 H ATOM 2475 HB3 CYS W 68 -11.937 -11.959 2.090 1.00 0.00 H ATOM 2476 H CYS W 68 -12.530 -12.112 -0.502 1.00 0.00 H ATOM 2477 N VAL W 69 -15.929 -10.315 1.145 1.00 18.94 N ATOM 2478 CA VAL W 69 -16.860 -9.216 0.883 1.00 20.75 C ATOM 2479 C VAL W 69 -17.735 -8.933 2.111 1.00 18.63 C ATOM 2480 O VAL W 69 -17.866 -9.792 2.985 1.00 18.78 O ATOM 2481 CB VAL W 69 -17.769 -9.530 -0.323 1.00 21.24 C ATOM 2482 CG1 VAL W 69 -16.973 -9.508 -1.620 1.00 20.66 C ATOM 2483 CG2 VAL W 69 -18.461 -10.872 -0.140 1.00 25.00 C ATOM 2484 HA VAL W 69 -16.260 -8.334 0.657 1.00 0.00 H ATOM 2485 HB VAL W 69 -18.535 -8.756 -0.381 1.00 0.00 H ATOM 2486 HG11 VAL W 69 -16.533 -8.520 -1.758 1.00 0.00 H ATOM 2487 HG12 VAL W 69 -16.181 -10.256 -1.572 1.00 0.00 H ATOM 2488 HG13 VAL W 69 -17.636 -9.732 -2.456 1.00 0.00 H ATOM 2489 HG21 VAL W 69 -17.710 -11.657 -0.050 1.00 0.00 H ATOM 2490 HG22 VAL W 69 -19.070 -10.845 0.763 1.00 0.00 H ATOM 2491 HG23 VAL W 69 -19.097 -11.072 -1.003 1.00 0.00 H ATOM 2492 H VAL W 69 -16.283 -11.179 1.603 1.00 0.00 H ATOM 2493 N PRO W 70 -18.351 -7.726 2.213 1.00 22.59 N ATOM 2494 CA PRO W 70 -19.193 -7.382 3.361 1.00 24.42 C ATOM 2495 C PRO W 70 -20.625 -7.891 3.218 1.00 26.07 C ATOM 2496 O PRO W 70 -21.132 -8.039 2.106 1.00 28.44 O ATOM 2497 CB PRO W 70 -19.166 -5.857 3.347 1.00 22.16 C ATOM 2498 CG PRO W 70 -19.090 -5.507 1.903 1.00 20.82 C ATOM 2499 CD PRO W 70 -18.276 -6.600 1.246 1.00 20.55 C ATOM 2500 HA PRO W 70 -18.833 -7.832 4.286 1.00 0.00 H ATOM 2501 HD3 PRO W 70 -18.708 -6.883 0.286 1.00 0.00 H ATOM 2502 HD2 PRO W 70 -17.244 -6.281 1.099 1.00 0.00 H ATOM 2503 HG3 PRO W 70 -18.601 -4.541 1.773 1.00 0.00 H ATOM 2504 HG2 PRO W 70 -20.090 -5.468 1.470 1.00 0.00 H ATOM 2505 HB2 PRO W 70 -20.072 -5.450 3.797 1.00 0.00 H ATOM 2506 HB3 PRO W 70 -18.295 -5.480 3.883 1.00 0.00 H ATOM 2507 N THR W 71 -21.276 -8.144 4.354 1.00 24.45 N ATOM 2508 CA THR W 71 -22.657 -8.624 4.360 1.00 29.82 C ATOM 2509 C THR W 71 -23.611 -7.534 4.851 1.00 33.78 C ATOM 2510 O THR W 71 -24.769 -7.485 4.440 1.00 36.87 O ATOM 2511 CB THR W 71 -22.784 -9.871 5.239 1.00 27.96 C ATOM 2512 OG1 THR W 71 -22.452 -9.574 6.581 1.00 29.95 O ATOM 2513 CG2 THR W 71 -21.895 -11.009 4.789 1.00 25.06 C ATOM 2514 HA THR W 71 -22.930 -8.884 3.337 1.00 0.00 H ATOM 2515 HB THR W 71 -23.824 -10.184 5.150 1.00 0.00 H ATOM 2516 HG1 THR W 71 -21.519 -9.246 6.624 1.00 0.00 H ATOM 2517 HG23 THR W 71 -22.127 -11.263 3.755 1.00 0.00 H ATOM 2518 HG21 THR W 71 -20.851 -10.705 4.864 1.00 0.00 H ATOM 2519 HG22 THR W 71 -22.068 -11.877 5.425 1.00 0.00 H ATOM 2520 H THR W 71 -20.788 -7.996 5.260 1.00 0.00 H ATOM 2521 N GLU W 72 -23.116 -6.650 5.721 1.00 32.57 N ATOM 2522 CA GLU W 72 -23.923 -5.549 6.251 1.00 30.55 C ATOM 2523 C GLU W 72 -23.182 -4.228 6.041 1.00 29.68 C ATOM 2524 O GLU W 72 -21.985 -4.234 5.750 1.00 24.96 O ATOM 2525 CB GLU W 72 -24.210 -5.765 7.739 1.00 30.80 C ATOM 2526 CG GLU W 72 -25.381 -4.945 8.255 1.00 39.83 C ATOM 2527 CD GLU W 72 -25.804 -5.350 9.653 1.00 45.91 C ATOM 2528 OE1 GLU W 72 -26.235 -6.507 9.832 1.00 42.53 O ATOM 2529 OE2 GLU W 72 -25.706 -4.506 10.570 1.00 47.19 O ATOM 2530 HA GLU W 72 -24.875 -5.516 5.721 1.00 0.00 H ATOM 2531 HB2 GLU W 72 -24.430 -6.820 7.899 1.00 0.00 H ATOM 2532 HB3 GLU W 72 -23.320 -5.491 8.306 1.00 0.00 H ATOM 2533 HG2 GLU W 72 -25.093 -3.894 8.268 1.00 0.00 H ATOM 2534 HG3 GLU W 72 -26.227 -5.081 7.581 1.00 0.00 H ATOM 2535 H GLU W 72 -22.128 -6.746 6.031 1.00 0.00 H ATOM 2536 N GLU W 73 -23.888 -3.102 6.173 1.00 28.69 N ATOM 2537 CA GLU W 73 -23.263 -1.791 5.974 1.00 24.67 C ATOM 2538 C GLU W 73 -23.795 -0.742 6.953 1.00 28.33 C ATOM 2539 O GLU W 73 -24.664 -1.022 7.780 1.00 25.96 O ATOM 2540 CB GLU W 73 -23.492 -1.317 4.539 1.00 25.59 C ATOM 2541 CG GLU W 73 -22.740 -2.140 3.507 1.00 33.70 C ATOM 2542 CD GLU W 73 -23.265 -1.939 2.100 1.00 38.93 C ATOM 2543 OE1 GLU W 73 -24.500 -1.982 1.915 1.00 42.77 O ATOM 2544 OE2 GLU W 73 -22.441 -1.736 1.183 1.00 43.37 O ATOM 2545 HA GLU W 73 -22.196 -1.908 6.163 1.00 0.00 H ATOM 2546 HB2 GLU W 73 -24.558 -1.378 4.320 1.00 0.00 H ATOM 2547 HB3 GLU W 73 -23.165 -0.280 4.460 1.00 0.00 H ATOM 2548 HG2 GLU W 73 -21.689 -1.853 3.531 1.00 0.00 H ATOM 2549 HG3 GLU W 73 -22.834 -3.194 3.767 1.00 0.00 H ATOM 2550 H GLU W 73 -24.897 -3.156 6.421 1.00 0.00 H ATOM 2551 N SER W 74 -23.255 0.478 6.842 1.00 26.58 N ATOM 2552 CA SER W 74 -23.660 1.586 7.702 1.00 25.81 C ATOM 2553 C SER W 74 -23.019 2.894 7.240 1.00 25.60 C ATOM 2554 O SER W 74 -22.107 2.887 6.415 1.00 27.32 O ATOM 2555 CB SER W 74 -23.270 1.299 9.154 1.00 24.33 C ATOM 2556 OG SER W 74 -21.945 0.804 9.240 1.00 30.19 O ATOM 2557 HA SER W 74 -24.743 1.689 7.637 1.00 0.00 H ATOM 2558 HB2 SER W 74 -23.954 0.558 9.567 1.00 0.00 H ATOM 2559 HB3 SER W 74 -23.344 2.221 9.731 1.00 0.00 H ATOM 2560 HG SER W 74 -21.873 -0.036 8.721 1.00 0.00 H ATOM 2561 H SER W 74 -22.524 0.642 6.120 1.00 0.00 H ATOM 2562 N ASN W 75 -23.506 4.016 7.774 1.00 26.09 N ATOM 2563 CA ASN W 75 -22.983 5.338 7.412 1.00 23.96 C ATOM 2564 C ASN W 75 -22.308 6.015 8.603 1.00 25.00 C ATOM 2565 O ASN W 75 -22.685 5.792 9.753 1.00 22.54 O ATOM 2566 CB ASN W 75 -24.115 6.224 6.888 1.00 29.90 C ATOM 2567 CG ASN W 75 -24.675 5.725 5.571 1.00 35.30 C ATOM 2568 OD1 ASN W 75 -24.165 6.059 4.502 1.00 40.64 O ATOM 2569 ND2 ASN W 75 -25.731 4.920 5.641 1.00 47.51 N ATOM 2570 HA ASN W 75 -22.236 5.200 6.631 1.00 0.00 H ATOM 2571 HB2 ASN W 75 -24.917 6.241 7.626 1.00 0.00 H ATOM 2572 HB3 ASN W 75 -23.732 7.235 6.746 1.00 0.00 H ATOM 2573 HD22 ASN W 75 -26.129 4.664 6.567 1.00 0.00 H ATOM 2574 HD21 ASN W 75 -26.159 4.546 4.770 1.00 0.00 H ATOM 2575 H ASN W 75 -24.279 3.951 8.467 1.00 0.00 H ATOM 2576 N ILE W 76 -21.312 6.851 8.316 1.00 20.66 N ATOM 2577 CA ILE W 76 -20.584 7.567 9.359 1.00 21.89 C ATOM 2578 C ILE W 76 -20.272 9.004 8.919 1.00 21.21 C ATOM 2579 O ILE W 76 -19.619 9.221 7.899 1.00 20.17 O ATOM 2580 CB ILE W 76 -19.273 6.822 9.734 1.00 19.96 C ATOM 2581 CG1 ILE W 76 -18.562 7.513 10.904 1.00 25.33 C ATOM 2582 CG2 ILE W 76 -18.342 6.716 8.532 1.00 16.90 C ATOM 2583 CD1 ILE W 76 -17.498 6.652 11.553 1.00 22.08 C ATOM 2584 HA ILE W 76 -21.221 7.606 10.242 1.00 0.00 H ATOM 2585 HB ILE W 76 -19.543 5.814 10.047 1.00 0.00 H ATOM 2586 HG12 ILE W 76 -18.092 8.424 10.534 1.00 0.00 H ATOM 2587 HG13 ILE W 76 -19.306 7.770 11.658 1.00 0.00 H ATOM 2588 HD11 ILE W 76 -17.955 5.741 11.939 1.00 0.00 H ATOM 2589 HD12 ILE W 76 -16.740 6.395 10.814 1.00 0.00 H ATOM 2590 HD13 ILE W 76 -17.036 7.203 12.372 1.00 0.00 H ATOM 2591 HG21 ILE W 76 -18.842 6.166 7.735 1.00 0.00 H ATOM 2592 HG22 ILE W 76 -18.088 7.716 8.181 1.00 0.00 H ATOM 2593 HG23 ILE W 76 -17.433 6.190 8.824 1.00 0.00 H ATOM 2594 H ILE W 76 -21.046 6.998 7.321 1.00 0.00 H ATOM 2595 N THR W 77 -20.749 9.977 9.693 1.00 18.94 N ATOM 2596 CA THR W 77 -20.523 11.386 9.382 1.00 18.98 C ATOM 2597 C THR W 77 -19.145 11.838 9.861 1.00 18.83 C ATOM 2598 O THR W 77 -18.675 11.410 10.915 1.00 20.61 O ATOM 2599 CB THR W 77 -21.608 12.249 10.030 1.00 18.29 C ATOM 2600 OG1 THR W 77 -22.866 11.602 9.965 1.00 23.14 O ATOM 2601 CG2 THR W 77 -21.760 13.607 9.380 1.00 21.34 C ATOM 2602 HA THR W 77 -20.567 11.505 8.299 1.00 0.00 H ATOM 2603 HB THR W 77 -21.287 12.391 11.062 1.00 0.00 H ATOM 2604 HG1 THR W 77 -23.106 11.443 9.018 1.00 0.00 H ATOM 2605 HG23 THR W 77 -20.806 14.133 9.413 1.00 0.00 H ATOM 2606 HG21 THR W 77 -22.070 13.479 8.343 1.00 0.00 H ATOM 2607 HG22 THR W 77 -22.513 14.183 9.917 1.00 0.00 H ATOM 2608 H THR W 77 -21.297 9.727 10.541 1.00 0.00 H ATOM 2609 N MET W 78 -18.501 12.706 9.082 1.00 18.34 N ATOM 2610 CA MET W 78 -17.174 13.212 9.433 1.00 19.36 C ATOM 2611 C MET W 78 -17.037 14.689 9.070 1.00 19.63 C ATOM 2612 O MET W 78 -17.797 15.212 8.253 1.00 20.18 O ATOM 2613 CB MET W 78 -16.091 12.407 8.713 1.00 22.60 C ATOM 2614 CG MET W 78 -15.963 10.977 9.211 1.00 22.79 C ATOM 2615 SD MET W 78 -15.423 9.840 7.920 1.00 24.24 S ATOM 2616 CE MET W 78 -14.857 8.454 8.904 1.00 21.32 C ATOM 2617 HA MET W 78 -17.050 13.104 10.511 1.00 0.00 H ATOM 2618 HB2 MET W 78 -16.330 12.382 7.650 1.00 0.00 H ATOM 2619 HB3 MET W 78 -15.135 12.909 8.858 1.00 0.00 H ATOM 2620 HG2 MET W 78 -16.933 10.648 9.583 1.00 0.00 H ATOM 2621 HG3 MET W 78 -15.237 10.954 10.024 1.00 0.00 H ATOM 2622 HE1 MET W 78 -14.052 8.782 9.562 1.00 0.00 H ATOM 2623 HE2 MET W 78 -15.684 8.073 9.503 1.00 0.00 H ATOM 2624 HE3 MET W 78 -14.492 7.667 8.244 1.00 0.00 H ATOM 2625 H MET W 78 -18.952 13.032 8.203 1.00 0.00 H ATOM 2626 N GLN W 79 -16.055 15.351 9.674 1.00 17.14 N ATOM 2627 CA GLN W 79 -15.804 16.764 9.408 1.00 17.47 C ATOM 2628 C GLN W 79 -14.695 16.922 8.372 1.00 16.60 C ATOM 2629 O GLN W 79 -13.571 16.469 8.586 1.00 17.39 O ATOM 2630 CB GLN W 79 -15.420 17.490 10.699 1.00 18.57 C ATOM 2631 CG GLN W 79 -16.580 17.670 11.663 1.00 20.10 C ATOM 2632 CD GLN W 79 -16.260 18.638 12.788 1.00 27.29 C ATOM 2633 OE1 GLN W 79 -15.152 18.639 13.322 1.00 22.92 O ATOM 2634 NE2 GLN W 79 -17.232 19.468 13.154 1.00 26.98 N ATOM 2635 HA GLN W 79 -16.719 17.207 9.014 1.00 0.00 H ATOM 2636 HB2 GLN W 79 -14.641 16.915 11.200 1.00 0.00 H ATOM 2637 HB3 GLN W 79 -15.032 18.475 10.439 1.00 0.00 H ATOM 2638 HG2 GLN W 79 -17.439 18.050 11.109 1.00 0.00 H ATOM 2639 HG3 GLN W 79 -16.828 16.701 12.096 1.00 0.00 H ATOM 2640 HE22 GLN W 79 -18.154 19.432 12.675 1.00 0.00 H ATOM 2641 HE21 GLN W 79 -17.070 20.153 13.920 1.00 0.00 H ATOM 2642 H GLN W 79 -15.450 14.849 10.354 1.00 0.00 H ATOM 2643 N ILE W 80 -15.016 17.558 7.247 1.00 16.86 N ATOM 2644 CA ILE W 80 -14.041 17.766 6.172 1.00 13.37 C ATOM 2645 C ILE W 80 -13.949 19.241 5.791 1.00 16.68 C ATOM 2646 O ILE W 80 -14.967 19.927 5.683 1.00 19.51 O ATOM 2647 CB ILE W 80 -14.394 16.951 4.905 1.00 16.37 C ATOM 2648 CG1 ILE W 80 -14.780 15.510 5.260 1.00 16.26 C ATOM 2649 CG2 ILE W 80 -13.224 16.960 3.933 1.00 14.67 C ATOM 2650 CD1 ILE W 80 -13.678 14.740 5.954 1.00 15.20 C ATOM 2651 HA ILE W 80 -13.081 17.423 6.558 1.00 0.00 H ATOM 2652 HB ILE W 80 -15.255 17.421 4.430 1.00 0.00 H ATOM 2653 HG12 ILE W 80 -15.648 15.538 5.918 1.00 0.00 H ATOM 2654 HG13 ILE W 80 -15.040 14.986 4.340 1.00 0.00 H ATOM 2655 HD11 ILE W 80 -12.805 14.692 5.304 1.00 0.00 H ATOM 2656 HD12 ILE W 80 -13.414 15.245 6.883 1.00 0.00 H ATOM 2657 HD13 ILE W 80 -14.025 13.730 6.173 1.00 0.00 H ATOM 2658 HG21 ILE W 80 -12.999 17.987 3.646 1.00 0.00 H ATOM 2659 HG22 ILE W 80 -12.352 16.516 4.412 1.00 0.00 H ATOM 2660 HG23 ILE W 80 -13.486 16.383 3.046 1.00 0.00 H ATOM 2661 H ILE W 80 -15.985 17.917 7.128 1.00 0.00 H ATOM 2662 N MET W 81 -12.727 19.721 5.586 1.00 17.01 N ATOM 2663 CA MET W 81 -12.501 21.112 5.209 1.00 18.54 C ATOM 2664 C MET W 81 -12.324 21.241 3.699 1.00 22.45 C ATOM 2665 O MET W 81 -11.262 20.918 3.162 1.00 19.65 O ATOM 2666 CB MET W 81 -11.267 21.661 5.929 1.00 19.24 C ATOM 2667 CG MET W 81 -11.095 23.162 5.771 1.00 33.86 C ATOM 2668 SD MET W 81 -10.195 23.913 7.144 1.00 44.44 S ATOM 2669 CE MET W 81 -8.769 22.833 7.257 1.00 39.91 C ATOM 2670 HA MET W 81 -13.374 21.693 5.506 1.00 0.00 H ATOM 2671 HB2 MET W 81 -11.356 21.433 6.991 1.00 0.00 H ATOM 2672 HB3 MET W 81 -10.383 21.167 5.526 1.00 0.00 H ATOM 2673 HG2 MET W 81 -12.082 23.621 5.709 1.00 0.00 H ATOM 2674 HG3 MET W 81 -10.547 23.355 4.849 1.00 0.00 H ATOM 2675 HE1 MET W 81 -9.101 21.815 7.461 1.00 0.00 H ATOM 2676 HE2 MET W 81 -8.222 22.856 6.315 1.00 0.00 H ATOM 2677 HE3 MET W 81 -8.120 23.173 8.064 1.00 0.00 H ATOM 2678 H MET W 81 -11.910 19.088 5.697 1.00 0.00 H ATOM 2679 N ARG W 82 -13.364 21.716 3.015 1.00 23.41 N ATOM 2680 CA ARG W 82 -13.313 21.885 1.566 1.00 21.96 C ATOM 2681 C ARG W 82 -12.660 23.217 1.197 1.00 23.10 C ATOM 2682 O ARG W 82 -13.057 24.276 1.686 1.00 23.00 O ATOM 2683 CB ARG W 82 -14.722 21.798 0.965 1.00 19.45 C ATOM 2684 CG ARG W 82 -15.665 22.887 1.450 1.00 19.44 C ATOM 2685 CD ARG W 82 -17.066 22.700 0.893 1.00 20.97 C ATOM 2686 NE ARG W 82 -17.939 23.837 1.195 1.00 25.77 N ATOM 2687 CZ ARG W 82 -17.989 24.968 0.477 1.00 26.79 C ATOM 2688 NH1 ARG W 82 -17.212 25.141 -0.592 1.00 20.90 N ATOM 2689 NH2 ARG W 82 -18.822 25.933 0.835 1.00 22.34 N ATOM 2690 HA ARG W 82 -12.707 21.080 1.152 1.00 0.00 H ATOM 2691 HB2 ARG W 82 -14.639 21.873 -0.119 1.00 0.00 H ATOM 2692 HB3 ARG W 82 -15.149 20.831 1.229 1.00 0.00 H ATOM 2693 HG2 ARG W 82 -15.710 22.858 2.539 1.00 0.00 H ATOM 2694 HG3 ARG W 82 -15.282 23.856 1.129 1.00 0.00 H ATOM 2695 HD2 ARG W 82 -17.499 21.799 1.328 1.00 0.00 H ATOM 2696 HD3 ARG W 82 -17.001 22.585 -0.189 1.00 0.00 H ATOM 2697 HE ARG W 82 -18.563 23.762 2.024 1.00 0.00 H ATOM 2698 HH12 ARG W 82 -17.266 26.026 -1.136 1.00 0.00 H ATOM 2699 HH11 ARG W 82 -16.552 24.391 -0.882 1.00 0.00 H ATOM 2700 HH22 ARG W 82 -18.866 26.813 0.283 1.00 0.00 H ATOM 2701 HH21 ARG W 82 -19.432 25.811 1.668 1.00 0.00 H ATOM 2702 H ARG W 82 -14.233 21.973 3.526 1.00 0.00 H ATOM 2703 N ILE W 83 -11.654 23.148 0.324 1.00 22.68 N ATOM 2704 CA ILE W 83 -10.935 24.337 -0.123 1.00 25.57 C ATOM 2705 C ILE W 83 -10.999 24.478 -1.646 1.00 27.41 C ATOM 2706 O ILE W 83 -11.221 23.499 -2.362 1.00 27.82 O ATOM 2707 CB ILE W 83 -9.452 24.299 0.326 1.00 23.78 C ATOM 2708 CG1 ILE W 83 -9.347 23.969 1.819 1.00 24.40 C ATOM 2709 CG2 ILE W 83 -8.765 25.628 0.033 1.00 20.45 C ATOM 2710 CD1 ILE W 83 -7.973 23.488 2.237 1.00 33.21 C ATOM 2711 HA ILE W 83 -11.422 25.197 0.336 1.00 0.00 H ATOM 2712 HB ILE W 83 -8.948 23.516 -0.240 1.00 0.00 H ATOM 2713 HG12 ILE W 83 -9.586 24.867 2.389 1.00 0.00 H ATOM 2714 HG13 ILE W 83 -10.071 23.189 2.052 1.00 0.00 H ATOM 2715 HD11 ILE W 83 -7.723 22.583 1.684 1.00 0.00 H ATOM 2716 HD12 ILE W 83 -7.237 24.263 2.021 1.00 0.00 H ATOM 2717 HD13 ILE W 83 -7.974 23.274 3.306 1.00 0.00 H ATOM 2718 HG21 ILE W 83 -8.804 25.827 -1.038 1.00 0.00 H ATOM 2719 HG22 ILE W 83 -9.276 26.426 0.571 1.00 0.00 H ATOM 2720 HG23 ILE W 83 -7.725 25.577 0.357 1.00 0.00 H ATOM 2721 H ILE W 83 -11.373 22.219 -0.050 1.00 0.00 H ATOM 2722 N LYS W 84 -10.810 25.705 -2.129 1.00 33.58 N ATOM 2723 CA LYS W 84 -10.846 25.978 -3.573 1.00 36.90 C ATOM 2724 C LYS W 84 -9.773 26.995 -3.977 1.00 38.45 C ATOM 2725 O LYS W 84 -9.609 28.015 -3.305 1.00 33.60 O ATOM 2726 CB LYS W 84 -12.236 26.491 -3.977 1.00 37.94 C ATOM 2727 CG LYS W 84 -12.658 26.037 -5.369 1.00 45.74 C ATOM 2728 CD LYS W 84 -13.385 27.133 -6.144 1.00 50.46 C ATOM 2729 CE LYS W 84 -14.652 27.610 -5.439 1.00 53.04 C ATOM 2730 NZ LYS W 84 -15.852 27.477 -6.312 1.00 53.93 N ATOM 2731 HA LYS W 84 -10.639 25.045 -4.097 1.00 0.00 H ATOM 2732 HB2 LYS W 84 -12.965 26.123 -3.255 1.00 0.00 H ATOM 2733 HB3 LYS W 84 -12.224 27.581 -3.956 1.00 0.00 H ATOM 2734 HG2 LYS W 84 -11.768 25.745 -5.927 1.00 0.00 H ATOM 2735 HG3 LYS W 84 -13.322 25.178 -5.271 1.00 0.00 H ATOM 2736 HD2 LYS W 84 -12.711 27.982 -6.264 1.00 0.00 H ATOM 2737 HD3 LYS W 84 -13.657 26.745 -7.126 1.00 0.00 H ATOM 2738 HE2 LYS W 84 -14.530 28.657 -5.163 1.00 0.00 H ATOM 2739 HE3 LYS W 84 -14.802 27.014 -4.539 1.00 0.00 H ATOM 2740 HZ1 LYS W 84 -15.720 28.049 -7.171 1.00 0.00 H ATOM 2741 HZ2 LYS W 84 -15.979 26.479 -6.575 1.00 0.00 H ATOM 2742 HZ3 LYS W 84 -16.692 27.811 -5.798 1.00 0.00 H ATOM 2743 H LYS W 84 -10.633 26.489 -1.469 1.00 0.00 H ATOM 2744 N PRO W 85 -9.010 26.751 -5.080 1.00 43.34 N ATOM 2745 CA PRO W 85 -7.961 27.682 -5.518 1.00 49.23 C ATOM 2746 C PRO W 85 -8.498 29.086 -5.803 1.00 50.07 C ATOM 2747 O PRO W 85 -9.546 29.244 -6.430 1.00 50.09 O ATOM 2748 CB PRO W 85 -7.417 27.041 -6.805 1.00 49.65 C ATOM 2749 CG PRO W 85 -7.777 25.601 -6.696 1.00 49.39 C ATOM 2750 CD PRO W 85 -9.093 25.572 -5.974 1.00 47.57 C ATOM 2751 HA PRO W 85 -7.204 27.823 -4.746 1.00 0.00 H ATOM 2752 HD3 PRO W 85 -9.925 25.667 -6.672 1.00 0.00 H ATOM 2753 HD2 PRO W 85 -9.205 24.652 -5.400 1.00 0.00 H ATOM 2754 HG3 PRO W 85 -7.019 25.060 -6.130 1.00 0.00 H ATOM 2755 HG2 PRO W 85 -7.875 25.156 -7.686 1.00 0.00 H ATOM 2756 HB2 PRO W 85 -7.883 27.488 -7.683 1.00 0.00 H ATOM 2757 HB3 PRO W 85 -6.336 27.163 -6.867 1.00 0.00 H ATOM 2758 N HIS W 86 -7.758 30.097 -5.334 1.00 50.38 N ATOM 2759 CA HIS W 86 -8.113 31.512 -5.523 1.00 52.70 C ATOM 2760 C HIS W 86 -9.405 31.924 -4.793 1.00 55.24 C ATOM 2761 O HIS W 86 -9.891 33.036 -4.998 1.00 59.65 O ATOM 2762 CB HIS W 86 -8.247 31.844 -7.016 1.00 53.99 C ATOM 2763 CG HIS W 86 -6.940 32.130 -7.688 1.00 57.38 C ATOM 2764 ND1 HIS W 86 -6.774 33.137 -8.616 1.00 63.31 N ATOM 2765 CD2 HIS W 86 -5.731 31.532 -7.564 1.00 59.30 C ATOM 2766 CE1 HIS W 86 -5.521 33.144 -9.035 1.00 63.47 C ATOM 2767 NE2 HIS W 86 -4.868 32.181 -8.412 1.00 59.78 N ATOM 2768 HA HIS W 86 -7.296 32.083 -5.082 1.00 0.00 H ATOM 2769 HB2 HIS W 86 -8.714 30.996 -7.517 1.00 0.00 H ATOM 2770 HB3 HIS W 86 -8.886 32.721 -7.118 1.00 0.00 H ATOM 2771 HD2 HIS W 86 -5.489 30.692 -6.913 1.00 0.00 H ATOM 2772 HE1 HIS W 86 -5.098 33.829 -9.770 1.00 0.00 H ATOM 2773 H HIS W 86 -6.889 29.871 -4.810 1.00 0.00 H ATOM 2774 N GLN W 87 -9.974 31.044 -3.955 1.00 52.97 N ATOM 2775 CA GLN W 87 -11.211 31.358 -3.236 1.00 54.30 C ATOM 2776 C GLN W 87 -10.972 31.263 -1.700 1.00 56.88 C ATOM 2777 O GLN W 87 -10.097 31.978 -1.203 1.00 57.20 O ATOM 2778 CB GLN W 87 -12.323 30.430 -3.750 1.00 57.18 C ATOM 2779 CG GLN W 87 -13.727 30.956 -3.490 1.00 56.63 C ATOM 2780 CD GLN W 87 -14.285 31.728 -4.672 1.00 61.37 C ATOM 2781 OE1 GLN W 87 -14.601 31.149 -5.711 1.00 60.02 O ATOM 2782 NE2 GLN W 87 -14.406 33.043 -4.520 1.00 64.60 N ATOM 2783 HA GLN W 87 -11.531 32.383 -3.424 1.00 0.00 H ATOM 2784 HB2 GLN W 87 -12.196 30.303 -4.825 1.00 0.00 H ATOM 2785 HB3 GLN W 87 -12.220 29.463 -3.257 1.00 0.00 H ATOM 2786 HG2 GLN W 87 -14.384 30.112 -3.281 1.00 0.00 H ATOM 2787 HG3 GLN W 87 -13.699 31.616 -2.623 1.00 0.00 H ATOM 2788 HE22 GLN W 87 -14.126 33.491 -3.624 1.00 0.00 H ATOM 2789 HE21 GLN W 87 -14.780 33.624 -5.297 1.00 0.00 H ATOM 2790 H GLN W 87 -9.526 30.116 -3.812 1.00 0.00 H ATOM 2791 N GLY W 88 -11.728 30.426 -0.938 1.00 56.29 N ATOM 2792 CA GLY W 88 -11.510 30.339 0.506 1.00 52.06 C ATOM 2793 C GLY W 88 -11.541 28.908 1.015 1.00 49.02 C ATOM 2794 O GLY W 88 -11.185 27.986 0.285 1.00 44.62 O ATOM 2795 HA3 GLY W 88 -12.290 30.907 1.012 1.00 0.00 H ATOM 2796 HA2 GLY W 88 -10.537 30.772 0.739 1.00 0.00 H ATOM 2797 H GLY W 88 -12.465 29.845 -1.385 1.00 0.00 H ATOM 2798 N GLN W 89 -11.970 28.730 2.266 1.00 46.52 N ATOM 2799 CA GLN W 89 -12.054 27.405 2.876 1.00 44.06 C ATOM 2800 C GLN W 89 -13.347 27.290 3.672 1.00 41.43 C ATOM 2801 O GLN W 89 -14.015 28.296 3.913 1.00 45.63 O ATOM 2802 CB GLN W 89 -10.849 27.158 3.793 1.00 45.45 C ATOM 2803 CG GLN W 89 -9.513 27.582 3.193 1.00 52.04 C ATOM 2804 CD GLN W 89 -8.428 27.753 4.242 1.00 53.84 C ATOM 2805 OE1 GLN W 89 -7.737 28.770 4.275 1.00 49.86 O ATOM 2806 NE2 GLN W 89 -8.276 26.759 5.110 1.00 49.38 N ATOM 2807 HA GLN W 89 -12.047 26.653 2.087 1.00 0.00 H ATOM 2808 HB2 GLN W 89 -11.002 27.715 4.717 1.00 0.00 H ATOM 2809 HB3 GLN W 89 -10.801 26.092 4.017 1.00 0.00 H ATOM 2810 HG2 GLN W 89 -9.193 26.822 2.481 1.00 0.00 H ATOM 2811 HG3 GLN W 89 -9.649 28.531 2.673 1.00 0.00 H ATOM 2812 HE22 GLN W 89 -8.882 25.916 5.047 1.00 0.00 H ATOM 2813 HE21 GLN W 89 -7.551 26.824 5.853 1.00 0.00 H ATOM 2814 H GLN W 89 -12.253 29.560 2.824 1.00 0.00 H ATOM 2815 N HIS W 90 -13.708 26.071 4.079 1.00 33.72 N ATOM 2816 CA HIS W 90 -14.935 25.862 4.846 1.00 28.93 C ATOM 2817 C HIS W 90 -15.033 24.424 5.373 1.00 26.51 C ATOM 2818 O HIS W 90 -14.548 23.483 4.741 1.00 24.88 O ATOM 2819 CB HIS W 90 -16.159 26.209 3.971 1.00 28.94 C ATOM 2820 CG HIS W 90 -17.018 27.296 4.540 1.00 31.98 C ATOM 2821 ND1 HIS W 90 -17.520 28.336 3.784 1.00 39.86 N ATOM 2822 CD2 HIS W 90 -17.467 27.501 5.802 1.00 31.78 C ATOM 2823 CE1 HIS W 90 -18.238 29.132 4.556 1.00 36.42 C ATOM 2824 NE2 HIS W 90 -18.222 28.648 5.783 1.00 32.71 N ATOM 2825 HA HIS W 90 -14.915 26.522 5.713 1.00 0.00 H ATOM 2826 HB2 HIS W 90 -15.803 26.529 2.992 1.00 0.00 H ATOM 2827 HB3 HIS W 90 -16.768 25.312 3.859 1.00 0.00 H ATOM 2828 HD2 HIS W 90 -17.266 26.873 6.670 1.00 0.00 H ATOM 2829 HE1 HIS W 90 -18.756 30.035 4.234 1.00 0.00 H ATOM 2830 H HIS W 90 -13.106 25.256 3.846 1.00 0.00 H ATOM 2831 N ILE W 91 -15.685 24.270 6.525 1.00 26.43 N ATOM 2832 CA ILE W 91 -15.877 22.956 7.137 1.00 26.29 C ATOM 2833 C ILE W 91 -17.273 22.427 6.809 1.00 28.47 C ATOM 2834 O ILE W 91 -18.266 23.138 6.973 1.00 29.83 O ATOM 2835 CB ILE W 91 -15.701 23.009 8.673 1.00 24.72 C ATOM 2836 CG1 ILE W 91 -14.392 23.725 9.041 1.00 26.12 C ATOM 2837 CG2 ILE W 91 -15.739 21.606 9.276 1.00 26.60 C ATOM 2838 CD1 ILE W 91 -13.140 22.986 8.608 1.00 28.12 C ATOM 2839 HA ILE W 91 -15.118 22.289 6.728 1.00 0.00 H ATOM 2840 HB ILE W 91 -16.532 23.576 9.091 1.00 0.00 H ATOM 2841 HG12 ILE W 91 -14.393 24.706 8.566 1.00 0.00 H ATOM 2842 HG13 ILE W 91 -14.361 23.847 10.124 1.00 0.00 H ATOM 2843 HD11 ILE W 91 -13.115 22.006 9.084 1.00 0.00 H ATOM 2844 HD12 ILE W 91 -13.147 22.865 7.525 1.00 0.00 H ATOM 2845 HD13 ILE W 91 -12.261 23.558 8.905 1.00 0.00 H ATOM 2846 HG21 ILE W 91 -16.698 21.140 9.049 1.00 0.00 H ATOM 2847 HG22 ILE W 91 -14.933 21.007 8.851 1.00 0.00 H ATOM 2848 HG23 ILE W 91 -15.613 21.673 10.357 1.00 0.00 H ATOM 2849 H ILE W 91 -16.069 25.110 7.003 1.00 0.00 H ATOM 2850 N GLY W 92 -17.340 21.181 6.341 1.00 28.15 N ATOM 2851 CA GLY W 92 -18.620 20.577 5.991 1.00 26.38 C ATOM 2852 C GLY W 92 -18.780 19.179 6.556 1.00 26.49 C ATOM 2853 O GLY W 92 -17.804 18.553 6.970 1.00 23.99 O ATOM 2854 HA3 GLY W 92 -18.697 20.526 4.905 1.00 0.00 H ATOM 2855 HA2 GLY W 92 -19.421 21.205 6.381 1.00 0.00 H ATOM 2856 H GLY W 92 -16.465 20.631 6.224 1.00 0.00 H ATOM 2857 N GLU W 93 -20.016 18.690 6.572 1.00 22.23 N ATOM 2858 CA GLU W 93 -20.310 17.356 7.086 1.00 24.56 C ATOM 2859 C GLU W 93 -20.444 16.360 5.938 1.00 29.07 C ATOM 2860 O GLU W 93 -21.249 16.555 5.028 1.00 33.67 O ATOM 2861 CB GLU W 93 -21.596 17.379 7.914 1.00 23.18 C ATOM 2862 CG GLU W 93 -21.531 18.325 9.102 1.00 24.32 C ATOM 2863 CD GLU W 93 -22.822 18.356 9.896 1.00 30.54 C ATOM 2864 OE1 GLU W 93 -23.886 18.606 9.291 1.00 31.81 O ATOM 2865 OE2 GLU W 93 -22.770 18.131 11.123 1.00 32.27 O ATOM 2866 HA GLU W 93 -19.485 17.042 7.725 1.00 0.00 H ATOM 2867 HB2 GLU W 93 -22.418 17.690 7.269 1.00 0.00 H ATOM 2868 HB3 GLU W 93 -21.787 16.372 8.284 1.00 0.00 H ATOM 2869 HG2 GLU W 93 -20.724 18.004 9.760 1.00 0.00 H ATOM 2870 HG3 GLU W 93 -21.322 19.330 8.737 1.00 0.00 H ATOM 2871 H GLU W 93 -20.795 19.274 6.208 1.00 0.00 H ATOM 2872 N MET W 94 -19.649 15.293 5.985 1.00 22.65 N ATOM 2873 CA MET W 94 -19.676 14.263 4.946 1.00 20.50 C ATOM 2874 C MET W 94 -19.862 12.878 5.555 1.00 22.39 C ATOM 2875 O MET W 94 -19.135 12.489 6.467 1.00 21.42 O ATOM 2876 CB MET W 94 -18.379 14.300 4.134 1.00 19.69 C ATOM 2877 CG MET W 94 -18.109 15.652 3.493 1.00 19.76 C ATOM 2878 SD MET W 94 -18.831 15.797 1.848 1.00 22.72 S ATOM 2879 CE MET W 94 -17.358 15.770 0.829 1.00 17.39 C ATOM 2880 HA MET W 94 -20.521 14.468 4.288 1.00 0.00 H ATOM 2881 HB2 MET W 94 -17.548 14.059 4.797 1.00 0.00 H ATOM 2882 HB3 MET W 94 -18.442 13.550 3.346 1.00 0.00 H ATOM 2883 HG2 MET W 94 -17.031 15.792 3.415 1.00 0.00 H ATOM 2884 HG3 MET W 94 -18.530 16.430 4.129 1.00 0.00 H ATOM 2885 HE1 MET W 94 -16.715 16.608 1.099 1.00 0.00 H ATOM 2886 HE2 MET W 94 -16.823 14.834 0.990 1.00 0.00 H ATOM 2887 HE3 MET W 94 -17.642 15.852 -0.220 1.00 0.00 H ATOM 2888 H MET W 94 -18.990 15.189 6.783 1.00 0.00 H ATOM 2889 N SER W 95 -20.837 12.138 5.038 1.00 18.84 N ATOM 2890 CA SER W 95 -21.121 10.790 5.526 1.00 20.81 C ATOM 2891 C SER W 95 -20.588 9.739 4.557 1.00 17.57 C ATOM 2892 O SER W 95 -20.832 9.813 3.354 1.00 15.74 O ATOM 2893 CB SER W 95 -22.627 10.606 5.718 1.00 20.52 C ATOM 2894 OG SER W 95 -23.112 11.423 6.767 1.00 26.22 O ATOM 2895 HA SER W 95 -20.619 10.661 6.485 1.00 0.00 H ATOM 2896 HB2 SER W 95 -22.831 9.562 5.957 1.00 0.00 H ATOM 2897 HB3 SER W 95 -23.139 10.873 4.793 1.00 0.00 H ATOM 2898 HG SER W 95 -22.653 11.182 7.611 1.00 0.00 H ATOM 2899 H SER W 95 -21.413 12.528 4.265 1.00 0.00 H ATOM 2900 N PHE W 96 -19.863 8.759 5.094 1.00 17.49 N ATOM 2901 CA PHE W 96 -19.290 7.686 4.282 1.00 17.05 C ATOM 2902 C PHE W 96 -19.867 6.336 4.693 1.00 16.36 C ATOM 2903 O PHE W 96 -20.386 6.186 5.800 1.00 18.73 O ATOM 2904 CB PHE W 96 -17.766 7.669 4.429 1.00 15.81 C ATOM 2905 CG PHE W 96 -17.104 8.926 3.940 1.00 14.77 C ATOM 2906 CD1 PHE W 96 -16.939 10.011 4.783 1.00 12.92 C ATOM 2907 CD2 PHE W 96 -16.647 9.022 2.637 1.00 14.42 C ATOM 2908 CE1 PHE W 96 -16.330 11.168 4.335 1.00 17.01 C ATOM 2909 CE2 PHE W 96 -16.039 10.177 2.184 1.00 15.66 C ATOM 2910 CZ PHE W 96 -15.879 11.252 3.035 1.00 17.82 C ATOM 2911 HA PHE W 96 -19.545 7.871 3.238 1.00 0.00 H ATOM 2912 HB2 PHE W 96 -17.522 7.538 5.483 1.00 0.00 H ATOM 2913 HB3 PHE W 96 -17.373 6.827 3.859 1.00 0.00 H ATOM 2914 HD2 PHE W 96 -16.768 8.176 1.960 1.00 0.00 H ATOM 2915 HE2 PHE W 96 -15.686 10.239 1.155 1.00 0.00 H ATOM 2916 HZ PHE W 96 -15.398 12.164 2.681 1.00 0.00 H ATOM 2917 HE1 PHE W 96 -16.206 12.015 5.010 1.00 0.00 H ATOM 2918 HD1 PHE W 96 -17.293 9.952 5.812 1.00 0.00 H ATOM 2919 H PHE W 96 -19.700 8.757 6.121 1.00 0.00 H ATOM 2920 N LEU W 97 -19.783 5.360 3.794 1.00 17.21 N ATOM 2921 CA LEU W 97 -20.309 4.025 4.059 1.00 21.04 C ATOM 2922 C LEU W 97 -19.216 3.092 4.578 1.00 21.44 C ATOM 2923 O LEU W 97 -18.116 3.053 4.027 1.00 20.67 O ATOM 2924 CB LEU W 97 -20.920 3.444 2.782 1.00 23.77 C ATOM 2925 CG LEU W 97 -21.768 2.192 2.991 1.00 30.52 C ATOM 2926 CD1 LEU W 97 -23.164 2.567 3.468 1.00 31.43 C ATOM 2927 CD2 LEU W 97 -21.838 1.380 1.703 1.00 32.15 C ATOM 2928 HA LEU W 97 -21.077 4.111 4.827 1.00 0.00 H ATOM 2929 HB2 LEU W 97 -21.550 4.209 2.329 1.00 0.00 H ATOM 2930 HB3 LEU W 97 -20.107 3.194 2.100 1.00 0.00 H ATOM 2931 HG LEU W 97 -21.299 1.578 3.760 1.00 0.00 H ATOM 2932 HD21 LEU W 97 -22.286 1.987 0.916 1.00 0.00 H ATOM 2933 HD22 LEU W 97 -20.832 1.084 1.407 1.00 0.00 H ATOM 2934 HD23 LEU W 97 -22.446 0.491 1.868 1.00 0.00 H ATOM 2935 HD11 LEU W 97 -23.091 3.108 4.412 1.00 0.00 H ATOM 2936 HD12 LEU W 97 -23.644 3.200 2.721 1.00 0.00 H ATOM 2937 HD13 LEU W 97 -23.753 1.661 3.611 1.00 0.00 H ATOM 2938 H LEU W 97 -19.330 5.553 2.878 1.00 0.00 H ATOM 2939 N GLN W 98 -19.524 2.336 5.633 1.00 22.03 N ATOM 2940 CA GLN W 98 -18.564 1.396 6.219 1.00 24.15 C ATOM 2941 C GLN W 98 -19.137 -0.019 6.225 1.00 24.42 C ATOM 2942 O GLN W 98 -20.319 -0.220 5.948 1.00 26.42 O ATOM 2943 CB GLN W 98 -18.220 1.807 7.652 1.00 24.63 C ATOM 2944 CG GLN W 98 -17.817 3.265 7.791 1.00 32.63 C ATOM 2945 CD GLN W 98 -17.284 3.592 9.174 1.00 35.97 C ATOM 2946 OE1 GLN W 98 -16.184 4.122 9.316 1.00 25.15 O ATOM 2947 NE2 GLN W 98 -18.064 3.272 10.202 1.00 33.17 N ATOM 2948 HA GLN W 98 -17.659 1.415 5.611 1.00 0.00 H ATOM 2949 HB2 GLN W 98 -19.093 1.630 8.280 1.00 0.00 H ATOM 2950 HB3 GLN W 98 -17.393 1.187 7.999 1.00 0.00 H ATOM 2951 HG2 GLN W 98 -17.042 3.485 7.057 1.00 0.00 H ATOM 2952 HG3 GLN W 98 -18.689 3.889 7.596 1.00 0.00 H ATOM 2953 HE22 GLN W 98 -18.988 2.825 10.034 1.00 0.00 H ATOM 2954 HE21 GLN W 98 -17.750 3.469 11.174 1.00 0.00 H ATOM 2955 H GLN W 98 -20.473 2.416 6.052 1.00 0.00 H ATOM 2956 N HIS W 99 -18.291 -0.997 6.552 1.00 21.69 N ATOM 2957 CA HIS W 99 -18.713 -2.395 6.605 1.00 20.66 C ATOM 2958 C HIS W 99 -18.868 -2.853 8.055 1.00 23.67 C ATOM 2959 O HIS W 99 -17.935 -2.754 8.853 1.00 23.66 O ATOM 2960 CB HIS W 99 -17.703 -3.278 5.871 1.00 18.52 C ATOM 2961 CG HIS W 99 -17.526 -2.911 4.426 1.00 20.12 C ATOM 2962 ND1 HIS W 99 -16.638 -3.555 3.589 1.00 20.31 N ATOM 2963 CD2 HIS W 99 -18.126 -1.957 3.670 1.00 21.83 C ATOM 2964 CE1 HIS W 99 -16.696 -3.011 2.387 1.00 21.73 C ATOM 2965 NE2 HIS W 99 -17.591 -2.042 2.409 1.00 23.22 N ATOM 2966 HA HIS W 99 -19.681 -2.486 6.112 1.00 0.00 H ATOM 2967 HB2 HIS W 99 -16.738 -3.188 6.371 1.00 0.00 H ATOM 2968 HB3 HIS W 99 -18.044 -4.312 5.925 1.00 0.00 H ATOM 2969 HD2 HIS W 99 -18.890 -1.254 4.002 1.00 0.00 H ATOM 2970 HE1 HIS W 99 -16.104 -3.312 1.523 1.00 0.00 H ATOM 2971 H HIS W 99 -17.304 -0.758 6.775 1.00 0.00 H ATOM 2972 N ASN W 100 -20.058 -3.342 8.387 1.00 22.19 N ATOM 2973 CA ASN W 100 -20.347 -3.804 9.742 1.00 24.91 C ATOM 2974 C ASN W 100 -20.020 -5.285 9.905 1.00 20.68 C ATOM 2975 O ASN W 100 -19.423 -5.690 10.903 1.00 21.82 O ATOM 2976 CB ASN W 100 -21.816 -3.558 10.084 1.00 27.12 C ATOM 2977 CG ASN W 100 -22.126 -2.085 10.267 1.00 30.85 C ATOM 2978 OD1 ASN W 100 -22.908 -1.507 9.513 1.00 31.66 O ATOM 2979 ND2 ASN W 100 -21.513 -1.468 11.273 1.00 28.04 N ATOM 2980 HA ASN W 100 -19.717 -3.237 10.427 1.00 0.00 H ATOM 2981 HB2 ASN W 100 -22.434 -3.949 9.276 1.00 0.00 H ATOM 2982 HB3 ASN W 100 -22.054 -4.084 11.009 1.00 0.00 H ATOM 2983 HD22 ASN W 100 -20.859 -1.996 11.886 1.00 0.00 H ATOM 2984 HD21 ASN W 100 -21.687 -0.458 11.447 1.00 0.00 H ATOM 2985 H ASN W 100 -20.803 -3.397 7.663 1.00 0.00 H ATOM 2986 N LYS W 101 -20.422 -6.087 8.926 1.00 22.62 N ATOM 2987 CA LYS W 101 -20.179 -7.531 8.960 1.00 23.38 C ATOM 2988 C LYS W 101 -19.449 -7.994 7.702 1.00 19.79 C ATOM 2989 O LYS W 101 -19.651 -7.443 6.621 1.00 16.77 O ATOM 2990 CB LYS W 101 -21.508 -8.279 9.094 1.00 30.55 C ATOM 2991 CG LYS W 101 -22.306 -7.895 10.341 1.00 42.23 C ATOM 2992 CD LYS W 101 -22.428 -9.050 11.342 1.00 48.06 C ATOM 2993 CE LYS W 101 -21.567 -8.835 12.580 1.00 52.96 C ATOM 2994 NZ LYS W 101 -22.301 -8.102 13.650 1.00 56.30 N ATOM 2995 HA LYS W 101 -19.549 -7.751 9.822 1.00 0.00 H ATOM 2996 HB2 LYS W 101 -22.116 -8.062 8.216 1.00 0.00 H ATOM 2997 HB3 LYS W 101 -21.299 -9.348 9.134 1.00 0.00 H ATOM 2998 HG2 LYS W 101 -21.807 -7.059 10.831 1.00 0.00 H ATOM 2999 HG3 LYS W 101 -23.307 -7.591 10.035 1.00 0.00 H ATOM 3000 HD2 LYS W 101 -23.470 -9.139 11.650 1.00 0.00 H ATOM 3001 HD3 LYS W 101 -22.115 -9.973 10.853 1.00 0.00 H ATOM 3002 HE2 LYS W 101 -20.685 -8.259 12.300 1.00 0.00 H ATOM 3003 HE3 LYS W 101 -21.258 -9.806 12.967 1.00 0.00 H ATOM 3004 HZ1 LYS W 101 -22.594 -7.171 13.292 1.00 0.00 H ATOM 3005 HZ2 LYS W 101 -23.141 -8.648 13.929 1.00 0.00 H ATOM 3006 HZ3 LYS W 101 -21.678 -7.978 14.473 1.00 0.00 H ATOM 3007 H LYS W 101 -20.924 -5.678 8.112 1.00 0.00 H ATOM 3008 N CYS W 102 -18.601 -9.012 7.852 1.00 19.97 N ATOM 3009 CA CYS W 102 -17.839 -9.560 6.727 1.00 21.94 C ATOM 3010 C CYS W 102 -18.118 -11.057 6.582 1.00 21.50 C ATOM 3011 O CYS W 102 -18.534 -11.699 7.546 1.00 20.73 O ATOM 3012 CB CYS W 102 -16.338 -9.330 6.930 1.00 21.39 C ATOM 3013 SG CYS W 102 -15.896 -7.636 7.443 1.00 25.96 S ATOM 3014 HA CYS W 102 -18.152 -9.047 5.818 1.00 0.00 H ATOM 3015 HB2 CYS W 102 -15.830 -9.545 5.990 1.00 0.00 H ATOM 3016 HB3 CYS W 102 -15.988 -10.021 7.697 1.00 0.00 H ATOM 3017 H CYS W 102 -18.477 -9.430 8.796 1.00 0.00 H ATOM 3018 N GLU W 103 -17.886 -11.605 5.388 1.00 21.16 N ATOM 3019 CA GLU W 103 -18.117 -13.026 5.142 1.00 26.88 C ATOM 3020 C GLU W 103 -17.539 -13.440 3.791 1.00 22.55 C ATOM 3021 O GLU W 103 -17.458 -12.630 2.866 1.00 20.64 O ATOM 3022 CB GLU W 103 -19.613 -13.328 5.190 1.00 31.25 C ATOM 3023 CG GLU W 103 -19.919 -14.786 5.482 1.00 51.91 C ATOM 3024 CD GLU W 103 -20.169 -15.600 4.226 1.00 57.46 C ATOM 3025 OE1 GLU W 103 -20.600 -15.014 3.209 1.00 62.00 O ATOM 3026 OE2 GLU W 103 -19.936 -16.825 4.260 1.00 61.52 O ATOM 3027 HA GLU W 103 -17.613 -13.599 5.921 1.00 0.00 H ATOM 3028 HB2 GLU W 103 -20.066 -12.716 5.970 1.00 0.00 H ATOM 3029 HB3 GLU W 103 -20.050 -13.068 4.226 1.00 0.00 H ATOM 3030 HG2 GLU W 103 -19.073 -15.219 6.015 1.00 0.00 H ATOM 3031 HG3 GLU W 103 -20.807 -14.836 6.112 1.00 0.00 H ATOM 3032 H GLU W 103 -17.532 -11.006 4.614 1.00 0.00 H ATOM 3033 N CYS W 104 -17.131 -14.704 3.683 1.00 20.03 N ATOM 3034 CA CYS W 104 -16.555 -15.225 2.447 1.00 16.85 C ATOM 3035 C CYS W 104 -17.605 -15.956 1.615 1.00 22.04 C ATOM 3036 O CYS W 104 -18.434 -16.691 2.152 1.00 25.48 O ATOM 3037 CB CYS W 104 -15.402 -16.179 2.768 1.00 19.82 C ATOM 3038 SG CYS W 104 -13.822 -15.346 3.133 1.00 20.91 S ATOM 3039 HA CYS W 104 -16.182 -14.380 1.868 1.00 0.00 H ATOM 3040 HB2 CYS W 104 -15.253 -16.836 1.911 1.00 0.00 H ATOM 3041 HB3 CYS W 104 -15.683 -16.775 3.636 1.00 0.00 H ATOM 3042 H CYS W 104 -17.226 -15.337 4.503 1.00 0.00 H ATOM 3043 N ARG W 105 -17.553 -15.758 0.299 1.00 23.34 N ATOM 3044 CA ARG W 105 -18.493 -16.408 -0.616 1.00 22.90 C ATOM 3045 C ARG W 105 -17.810 -16.731 -1.952 1.00 23.83 C ATOM 3046 O ARG W 105 -16.833 -16.077 -2.317 1.00 23.21 O ATOM 3047 CB ARG W 105 -19.711 -15.512 -0.860 1.00 22.81 C ATOM 3048 CG ARG W 105 -19.348 -14.103 -1.301 1.00 35.78 C ATOM 3049 CD ARG W 105 -20.451 -13.464 -2.140 1.00 44.62 C ATOM 3050 NE ARG W 105 -21.650 -13.158 -1.349 1.00 51.18 N ATOM 3051 CZ ARG W 105 -22.739 -13.940 -1.250 1.00 53.25 C ATOM 3052 NH1 ARG W 105 -22.832 -15.112 -1.876 1.00 52.58 N ATOM 3053 NH2 ARG W 105 -23.755 -13.535 -0.503 1.00 55.43 N ATOM 3054 HA ARG W 105 -18.825 -17.339 -0.156 1.00 0.00 H ATOM 3055 HB2 ARG W 105 -20.326 -15.969 -1.635 1.00 0.00 H ATOM 3056 HB3 ARG W 105 -20.283 -15.448 0.065 1.00 0.00 H ATOM 3057 HG2 ARG W 105 -19.179 -13.490 -0.416 1.00 0.00 H ATOM 3058 HG3 ARG W 105 -18.434 -14.144 -1.893 1.00 0.00 H ATOM 3059 HD2 ARG W 105 -20.725 -14.151 -2.940 1.00 0.00 H ATOM 3060 HD3 ARG W 105 -20.071 -12.538 -2.572 1.00 0.00 H ATOM 3061 HE ARG W 105 -21.657 -12.262 -0.822 1.00 0.00 H ATOM 3062 HH12 ARG W 105 -23.691 -15.689 -1.775 1.00 0.00 H ATOM 3063 HH11 ARG W 105 -22.045 -15.450 -2.466 1.00 0.00 H ATOM 3064 HH22 ARG W 105 -24.605 -14.128 -0.416 1.00 0.00 H ATOM 3065 HH21 ARG W 105 -23.703 -12.624 -0.004 1.00 0.00 H ATOM 3066 H ARG W 105 -16.825 -15.125 -0.089 1.00 0.00 H ATOM 3067 N PRO W 106 -18.301 -17.746 -2.714 1.00 25.83 N ATOM 3068 CA PRO W 106 -17.695 -18.115 -4.002 1.00 26.92 C ATOM 3069 C PRO W 106 -17.668 -16.948 -4.986 1.00 26.85 C ATOM 3070 O PRO W 106 -18.619 -16.174 -5.075 1.00 28.45 O ATOM 3071 CB PRO W 106 -18.594 -19.244 -4.525 1.00 28.04 C ATOM 3072 CG PRO W 106 -19.266 -19.788 -3.315 1.00 24.21 C ATOM 3073 CD PRO W 106 -19.458 -18.613 -2.395 1.00 22.68 C ATOM 3074 HA PRO W 106 -16.653 -18.413 -3.886 1.00 0.00 H ATOM 3075 HD3 PRO W 106 -20.399 -18.103 -2.602 1.00 0.00 H ATOM 3076 HD2 PRO W 106 -19.438 -18.925 -1.351 1.00 0.00 H ATOM 3077 HG3 PRO W 106 -18.641 -20.545 -2.841 1.00 0.00 H ATOM 3078 HG2 PRO W 106 -20.229 -20.226 -3.579 1.00 0.00 H ATOM 3079 HB2 PRO W 106 -19.329 -18.855 -5.230 1.00 0.00 H ATOM 3080 HB3 PRO W 106 -17.998 -20.015 -5.013 1.00 0.00 H ATOM 3081 N LYS W 107 -16.565 -16.825 -5.716 1.00 29.68 N ATOM 3082 CA LYS W 107 -16.403 -15.748 -6.689 1.00 32.65 C ATOM 3083 C LYS W 107 -17.432 -15.856 -7.811 1.00 38.51 C ATOM 3084 O LYS W 107 -17.874 -16.952 -8.159 1.00 38.65 O ATOM 3085 CB LYS W 107 -14.991 -15.771 -7.275 1.00 25.64 C ATOM 3086 CG LYS W 107 -13.933 -15.261 -6.314 1.00 20.56 C ATOM 3087 CD LYS W 107 -12.534 -15.408 -6.886 1.00 20.20 C ATOM 3088 CE LYS W 107 -11.540 -14.503 -6.175 1.00 24.31 C ATOM 3089 NZ LYS W 107 -10.157 -14.677 -6.697 1.00 31.36 N ATOM 3090 HA LYS W 107 -16.562 -14.803 -6.170 1.00 0.00 H ATOM 3091 HB2 LYS W 107 -14.746 -16.798 -7.547 1.00 0.00 H ATOM 3092 HB3 LYS W 107 -14.977 -15.147 -8.168 1.00 0.00 H ATOM 3093 HG2 LYS W 107 -14.121 -14.207 -6.108 1.00 0.00 H ATOM 3094 HG3 LYS W 107 -13.996 -15.828 -5.385 1.00 0.00 H ATOM 3095 HD2 LYS W 107 -12.213 -16.444 -6.774 1.00 0.00 H ATOM 3096 HD3 LYS W 107 -12.555 -15.148 -7.944 1.00 0.00 H ATOM 3097 HE2 LYS W 107 -11.547 -14.739 -5.111 1.00 0.00 H ATOM 3098 HE3 LYS W 107 -11.843 -13.466 -6.318 1.00 0.00 H ATOM 3099 HZ1 LYS W 107 -9.857 -15.663 -6.558 1.00 0.00 H ATOM 3100 HZ2 LYS W 107 -10.139 -14.447 -7.711 1.00 0.00 H ATOM 3101 HZ3 LYS W 107 -9.512 -14.042 -6.185 1.00 0.00 H ATOM 3102 H LYS W 107 -15.796 -17.514 -5.591 1.00 0.00 H ATOM 3103 N LYS W 108 -17.804 -14.706 -8.384 1.00 42.95 N ATOM 3104 CA LYS W 108 -18.775 -14.660 -9.475 1.00 48.50 C ATOM 3105 C LYS W 108 -18.098 -14.261 -10.784 1.00 53.85 C ATOM 3106 O LYS W 108 -17.946 -15.084 -11.688 1.00 53.50 O ATOM 3107 CB LYS W 108 -19.895 -13.672 -9.145 1.00 46.84 C ATOM 3108 CG LYS W 108 -20.938 -14.242 -8.197 1.00 45.80 C ATOM 3109 CD LYS W 108 -21.992 -13.207 -7.831 1.00 42.29 C ATOM 3110 CE LYS W 108 -23.104 -13.816 -6.990 1.00 51.17 C ATOM 3111 NZ LYS W 108 -24.074 -14.584 -7.821 1.00 53.13 N ATOM 3112 HA LYS W 108 -19.202 -15.656 -9.594 1.00 0.00 H ATOM 3113 HB2 LYS W 108 -19.453 -12.789 -8.684 1.00 0.00 H ATOM 3114 HB3 LYS W 108 -20.390 -13.386 -10.073 1.00 0.00 H ATOM 3115 HG2 LYS W 108 -21.427 -15.090 -8.677 1.00 0.00 H ATOM 3116 HG3 LYS W 108 -20.442 -14.578 -7.287 1.00 0.00 H ATOM 3117 HD2 LYS W 108 -21.519 -12.404 -7.265 1.00 0.00 H ATOM 3118 HD3 LYS W 108 -22.422 -12.800 -8.746 1.00 0.00 H ATOM 3119 HE2 LYS W 108 -23.636 -13.015 -6.476 1.00 0.00 H ATOM 3120 HE3 LYS W 108 -22.662 -14.487 -6.254 1.00 0.00 H ATOM 3121 HZ1 LYS W 108 -24.506 -13.949 -8.522 1.00 0.00 H ATOM 3122 HZ2 LYS W 108 -23.576 -15.355 -8.310 1.00 0.00 H ATOM 3123 HZ3 LYS W 108 -24.815 -14.982 -7.209 1.00 0.00 H ATOM 3124 H LYS W 108 -17.389 -13.816 -8.042 1.00 0.00 H ATOM 3125 N ASP W 109 -17.690 -12.997 -10.876 1.00 62.09 N ATOM 3126 CA ASP W 109 -17.022 -12.491 -12.073 1.00 68.83 C ATOM 3127 C ASP W 109 -15.518 -12.389 -11.854 1.00 68.45 C ATOM 3128 O ASP W 109 -15.108 -11.842 -10.807 1.00 0.00 O ATOM 3129 CB ASP W 109 -17.586 -11.120 -12.454 1.00 78.52 C ATOM 3130 CG ASP W 109 -17.224 -10.722 -13.872 1.00 89.01 C ATOM 3131 OD1 ASP W 109 -17.456 -11.534 -14.794 1.00 93.54 O ATOM 3132 OD2 ASP W 109 -16.708 -9.602 -14.061 1.00 95.68 O ATOM 3133 HA ASP W 109 -17.206 -13.193 -12.886 1.00 0.00 H ATOM 3134 OXT ASP W 109 -14.759 -12.858 -12.729 1.00 0.00 O ATOM 3135 HB2 ASP W 109 -18.672 -11.150 -12.365 1.00 0.00 H ATOM 3136 HB3 ASP W 109 -17.187 -10.373 -11.767 1.00 0.00 H ATOM 3137 H ASP W 109 -17.851 -12.353 -10.075 1.00 0.00 H TER 3138 ASP W 109 HETATM 3139 N GLY A 1 -16.295 -32.366 15.752 1.00 0.24 N HETATM 3140 CA GLY A 1 -16.679 -33.704 16.280 1.00 0.05 C HETATM 3141 C GLY A 1 -17.112 -34.672 15.190 1.00 0.22 C HETATM 3142 O GLY A 1 -17.033 -35.888 15.376 1.00 -0.39 O HETATM 3143 N GLY A 1 -17.576 -34.138 14.056 1.00 -0.26 N HETATM 3144 CA GLY A 1 -18.019 -34.982 12.956 1.00 0.12 C HETATM 3145 C GLY A 1 -17.530 -34.489 11.606 1.00 0.20 C HETATM 3146 O GLY A 1 -16.474 -34.907 11.129 1.00 -0.39 O HETATM 3147 N GLY A 1 -18.305 -33.604 10.984 1.00 -0.26 N HETATM 3148 CA GLY A 1 -17.950 -33.059 9.678 1.00 0.15 C HETATM 3149 C GLY A 1 -18.646 -31.712 9.449 1.00 0.21 C HETATM 3150 O GLY A 1 -19.248 -31.469 8.399 1.00 -0.39 O HETATM 3151 N GLY A 1 -18.561 -30.837 10.448 1.00 -0.26 N HETATM 3152 CA GLY A 1 -19.182 -29.518 10.373 1.00 0.13 C HETATM 3153 C GLY A 1 -18.147 -28.444 10.003 1.00 0.20 C HETATM 3154 O GLY A 1 -18.165 -27.332 10.534 1.00 -0.39 O HETATM 3155 N GLY A 1 -17.250 -28.785 9.076 1.00 -0.26 N HETATM 3156 CA GLY A 1 -16.216 -27.850 8.630 1.00 0.14 C HETATM 3157 C GLY A 1 -16.721 -26.989 7.474 1.00 0.20 C HETATM 3158 O GLY A 1 -16.617 -27.376 6.309 1.00 -0.39 O HETATM 3159 N GLY A 1 -17.260 -25.817 7.800 1.00 -0.26 N HETATM 3160 CA GLY A 1 -17.771 -24.899 6.787 1.00 0.14 C HETATM 3161 C GLY A 1 -16.618 -24.186 6.080 1.00 0.21 C HETATM 3162 O GLY A 1 -15.672 -23.731 6.723 1.00 -0.39 O HETATM 3163 N GLY A 1 -16.697 -24.110 4.755 1.00 -0.26 N HETATM 3164 CA GLY A 1 -15.652 -23.474 3.960 1.00 0.13 C HETATM 3165 C GLY A 1 -15.497 -21.988 4.307 1.00 0.20 C HETATM 3166 O GLY A 1 -14.383 -21.466 4.333 1.00 -0.39 O HETATM 3167 N GLY A 1 -16.615 -21.313 4.561 1.00 -0.26 N HETATM 3168 CA GLY A 1 -16.592 -19.888 4.891 1.00 0.13 C HETATM 3169 C GLY A 1 -16.660 -19.652 6.399 1.00 0.20 C HETATM 3170 O GLY A 1 -17.233 -18.662 6.854 1.00 -0.39 O HETATM 3171 N GLY A 1 -16.067 -20.561 7.167 1.00 -0.26 N HETATM 3172 CA GLY A 1 -16.047 -20.445 8.626 1.00 0.13 C HETATM 3173 C GLY A 1 -14.645 -20.722 9.159 1.00 0.20 C HETATM 3174 O GLY A 1 -13.819 -21.315 8.466 1.00 -0.39 O HETATM 3175 N GLY A 1 -14.373 -20.276 10.387 1.00 -0.26 N HETATM 3176 CA GLY A 1 -13.059 -20.465 11.013 1.00 0.13 C HETATM 3177 C GLY A 1 -12.635 -21.936 11.033 1.00 0.20 C HETATM 3178 O GLY A 1 -13.022 -22.698 11.921 1.00 -0.39 O HETATM 3179 N GLY A 1 -11.833 -22.323 10.043 1.00 -0.26 N HETATM 3180 CA GLY A 1 -11.353 -23.698 9.928 1.00 0.14 C HETATM 3181 C GLY A 1 -10.385 -24.036 11.064 1.00 0.21 C HETATM 3182 O GLY A 1 -9.184 -23.808 10.951 1.00 -0.39 O HETATM 3183 N GLY A 1 -10.915 -24.596 12.152 1.00 -0.26 N HETATM 3184 CA GLY A 1 -10.090 -24.974 13.303 1.00 0.13 C HETATM 3185 C GLY A 1 -9.024 -26.005 12.899 1.00 0.20 C HETATM 3186 O GLY A 1 -8.847 -26.290 11.715 1.00 -0.39 O HETATM 3187 N GLY A 1 -8.302 -26.546 13.883 1.00 -0.26 N HETATM 3188 CA GLY A 1 -7.238 -27.523 13.623 1.00 0.14 C HETATM 3189 C GLY A 1 -7.745 -28.746 12.844 1.00 0.21 C HETATM 3190 O GLY A 1 -7.203 -29.085 11.791 1.00 -0.39 O HETATM 3191 N GLY A 1 -8.770 -29.416 13.378 1.00 -0.26 N HETATM 3192 CA GLY A 1 -9.336 -30.623 12.751 1.00 0.13 C HETATM 3193 C GLY A 1 -9.679 -30.414 11.271 1.00 0.20 C HETATM 3194 O GLY A 1 -9.443 -31.296 10.442 1.00 -0.39 O HETATM 3195 N GLY A 1 -10.241 -29.253 10.944 1.00 -0.26 N HETATM 3196 CA GLY A 1 -10.610 -28.946 9.564 1.00 0.14 C HETATM 3197 C GLY A 1 -9.361 -28.749 8.707 1.00 0.20 C HETATM 3198 O GLY A 1 -9.349 -29.099 7.527 1.00 -0.39 O HETATM 3199 N GLY A 1 -8.307 -28.192 9.307 1.00 -0.26 N HETATM 3200 CA GLY A 1 -7.053 -27.960 8.588 1.00 0.14 C HETATM 3201 C GLY A 1 -6.371 -29.286 8.262 1.00 0.21 C HETATM 3202 O GLY A 1 -5.779 -29.444 7.194 1.00 -0.39 O HETATM 3203 N GLY A 1 -6.450 -30.232 9.193 1.00 -0.26 N HETATM 3204 CA GLY A 1 -5.836 -31.541 9.006 1.00 0.13 C HETATM 3205 C GLY A 1 -6.487 -32.284 7.844 1.00 0.20 C HETATM 3206 O GLY A 1 -5.815 -32.981 7.084 1.00 -0.39 O HETATM 3207 N GLY A 1 -7.803 -32.125 7.713 1.00 -0.26 N HETATM 3208 CA GLY A 1 -8.558 -32.773 6.641 1.00 0.13 C HETATM 3209 C GLY A 1 -9.196 -31.725 5.725 1.00 0.20 C HETATM 3210 O GLY A 1 -10.414 -31.528 5.723 1.00 -0.39 O HETATM 3211 N GLY A 1 -8.355 -31.048 4.947 1.00 -0.27 N HETATM 3212 CA GLY A 1 -8.821 -30.018 4.027 1.00 0.09 C HETATM 3213 C GLY A 1 -9.173 -30.621 2.672 1.00 0.06 C HETATM 3214 O GLY A 1 -8.454 -31.541 2.231 1.00 -0.57 O HETATM 3215 OXT GLY A 1 -10.168 -30.170 2.065 1.00 -0.57 O HETATM 3216 CB GLY A 1 -7.752 -28.938 3.857 1.00 -0.02 C HETATM 3217 CG GLY A 1 -7.513 -28.077 5.097 1.00 -0.04 C HETATM 3218 CD1 GLY A 1 -6.146 -27.416 5.037 1.00 -0.06 C HETATM 3219 H136 GLY A 1 -5.996 -26.802 5.938 1.00 0.02 H HETATM 3220 H137 GLY A 1 -6.087 -26.777 4.144 1.00 0.02 H HETATM 3221 H138 GLY A 1 -5.366 -28.190 4.986 1.00 0.02 H HETATM 3222 CD2 GLY A 1 -8.604 -27.028 5.236 1.00 -0.06 C HETATM 3223 H139 GLY A 1 -9.585 -27.523 5.278 1.00 0.02 H HETATM 3224 H140 GLY A 1 -8.572 -26.349 4.371 1.00 0.02 H HETATM 3225 H141 GLY A 1 -8.444 -26.453 6.160 1.00 0.02 H HETATM 3226 H135 GLY A 1 -7.544 -28.729 5.982 1.00 0.03 H HETATM 3227 H133 GLY A 1 -8.061 -28.276 3.034 1.00 0.03 H HETATM 3228 H134 GLY A 1 -6.805 -29.431 3.595 1.00 0.03 H HETATM 3229 H132 GLY A 1 -9.725 -29.555 4.450 1.00 0.07 H HETATM 3230 H131 GLY A 1 -7.377 -31.251 4.995 1.00 0.19 H HETATM 3231 CB GLY A 1 -9.628 -33.694 7.237 1.00 -0.01 C HETATM 3232 CG GLY A 1 -10.558 -32.989 8.217 1.00 -0.02 C HETATM 3233 CD GLY A 1 -11.975 -33.563 8.179 1.00 0.06 C HETATM 3234 NE GLY A 1 -12.546 -33.700 9.529 1.00 -0.27 N HETATM 3235 CZ GLY A 1 -13.204 -34.778 10.005 1.00 0.29 C HETATM 3236 NH1 GLY A 1 -13.448 -35.865 9.260 1.00 -0.28 N HETATM 3237 H127 GLY A 1 -13.954 -36.665 9.666 1.00 0.26 H HETATM 3238 H128 GLY A 1 -13.129 -35.901 8.281 1.00 0.26 H HETATM 3239 NH2 GLY A 1 -13.643 -34.751 11.258 1.00 -0.28 N HETATM 3240 H129 GLY A 1 -13.466 -33.925 11.848 1.00 0.26 H HETATM 3241 H130 GLY A 1 -14.160 -35.556 11.640 1.00 0.26 H HETATM 3242 H126 GLY A 1 -12.433 -32.900 10.168 1.00 0.26 H HETATM 3243 H124 GLY A 1 -11.945 -34.554 7.703 1.00 0.07 H HETATM 3244 H125 GLY A 1 -12.615 -32.892 7.588 1.00 0.07 H HETATM 3245 H122 GLY A 1 -10.601 -31.921 7.959 1.00 0.03 H HETATM 3246 H123 GLY A 1 -10.155 -33.105 9.234 1.00 0.03 H HETATM 3247 H120 GLY A 1 -9.124 -34.517 7.765 1.00 0.03 H HETATM 3248 H121 GLY A 1 -10.233 -34.102 6.415 1.00 0.03 H HETATM 3249 H119 GLY A 1 -7.865 -33.383 6.043 1.00 0.08 H HETATM 3250 H118 GLY A 1 -8.289 -31.545 8.367 1.00 0.19 H HETATM 3251 CB GLY A 1 -5.950 -32.369 10.288 1.00 -0.00 C HETATM 3252 CG GLY A 1 -5.116 -31.819 11.433 1.00 0.00 C HETATM 3253 CD GLY A 1 -4.676 -32.896 12.403 1.00 0.04 C HETATM 3254 OE1 GLY A 1 -5.505 -33.767 12.740 1.00 -0.57 O HETATM 3255 OE2 GLY A 1 -3.501 -32.868 12.827 1.00 -0.57 O HETATM 3256 H116 GLY A 1 -5.715 -31.076 11.980 1.00 0.04 H HETATM 3257 H117 GLY A 1 -4.221 -31.334 11.016 1.00 0.04 H HETATM 3258 H114 GLY A 1 -5.615 -33.394 10.073 1.00 0.03 H HETATM 3259 H115 GLY A 1 -7.005 -32.386 10.601 1.00 0.03 H HETATM 3260 H113 GLY A 1 -4.770 -31.396 8.775 1.00 0.08 H HETATM 3261 H112 GLY A 1 -6.942 -30.041 10.042 1.00 0.19 H HETATM 3262 CB GLY A 1 -6.090 -27.093 9.411 1.00 0.02 C HETATM 3263 CG GLY A 1 -6.408 -25.616 9.444 1.00 -0.04 C HETATM 3264 CD1 GLY A 1 -6.913 -24.947 8.331 1.00 -0.06 C HETATM 3265 CE1 GLY A 1 -7.184 -23.591 8.386 1.00 -0.07 C HETATM 3266 CZ GLY A 1 -6.949 -22.886 9.550 1.00 -0.07 C HETATM 3267 CE2 GLY A 1 -6.446 -23.536 10.658 1.00 -0.07 C HETATM 3268 CD2 GLY A 1 -6.180 -24.890 10.602 1.00 -0.06 C HETATM 3269 H108 GLY A 1 -5.787 -25.393 11.478 1.00 0.06 H HETATM 3270 H110 GLY A 1 -6.260 -22.984 11.572 1.00 0.06 H HETATM 3271 H111 GLY A 1 -7.160 -21.823 9.593 1.00 0.06 H HETATM 3272 H109 GLY A 1 -7.581 -23.082 7.515 1.00 0.06 H HETATM 3273 H107 GLY A 1 -7.095 -25.494 7.413 1.00 0.06 H HETATM 3274 H105 GLY A 1 -5.082 -27.213 8.989 1.00 0.05 H HETATM 3275 H106 GLY A 1 -6.100 -27.465 10.446 1.00 0.05 H HETATM 3276 H104 GLY A 1 -7.283 -27.437 7.648 1.00 0.08 H HETATM 3277 H103 GLY A 1 -8.375 -27.927 10.269 1.00 0.19 H HETATM 3278 CB GLY A 1 -11.490 -27.694 9.505 1.00 0.04 C HETATM 3279 SG GLY A 1 -13.049 -27.824 10.441 1.00 -0.09 S HETATM 3280 SG GLY A 1 -14.032 -29.376 9.571 1.00 -0.09 S HETATM 3281 CB GLY A 1 -14.958 -28.608 8.198 1.00 0.04 C HETATM 3282 H23 GLY A 1 -14.289 -27.901 7.685 1.00 0.04 H HETATM 3283 H24 GLY A 1 -15.258 -29.402 7.499 1.00 0.04 H HETATM 3284 H101 GLY A 1 -11.737 -27.496 8.451 1.00 0.04 H HETATM 3285 H102 GLY A 1 -10.914 -26.849 9.911 1.00 0.04 H HETATM 3286 H100 GLY A 1 -11.182 -29.794 9.160 1.00 0.08 H HETATM 3287 H99 GLY A 1 -10.415 -28.576 11.659 1.00 0.19 H HETATM 3288 CB GLY A 1 -10.588 -31.066 13.510 1.00 -0.00 C HETATM 3289 CG GLY A 1 -10.280 -31.797 14.806 1.00 0.00 C HETATM 3290 CD GLY A 1 -10.085 -30.851 15.973 1.00 0.04 C HETATM 3291 OE1 GLY A 1 -8.961 -30.333 16.137 1.00 -0.57 O HETATM 3292 OE2 GLY A 1 -11.057 -30.628 16.725 1.00 -0.57 O HETATM 3293 H97 GLY A 1 -9.360 -32.384 14.670 1.00 0.04 H HETATM 3294 H98 GLY A 1 -11.116 -32.474 15.037 1.00 0.04 H HETATM 3295 H95 GLY A 1 -11.170 -31.737 12.861 1.00 0.03 H HETATM 3296 H96 GLY A 1 -11.187 -30.174 13.746 1.00 0.03 H HETATM 3297 H94 GLY A 1 -8.585 -31.424 12.817 1.00 0.08 H HETATM 3298 H93 GLY A 1 -9.168 -29.086 14.234 1.00 0.19 H HETATM 3299 CB GLY A 1 -6.609 -27.973 14.946 1.00 0.00 C HETATM 3300 CG GLY A 1 -5.474 -27.102 15.385 1.00 -0.04 C HETATM 3301 CD1 GLY A 1 -5.302 -26.534 16.616 1.00 0.02 C HETATM 3302 NE1 GLY A 1 -4.139 -25.803 16.640 1.00 -0.29 N HETATM 3303 CE2 GLY A 1 -3.536 -25.890 15.412 1.00 0.06 C HETATM 3304 CD2 GLY A 1 -4.348 -26.701 14.598 1.00 -0.02 C HETATM 3305 CE3 GLY A 1 -3.948 -26.949 13.281 1.00 -0.07 C HETATM 3306 CZ3 GLY A 1 -2.769 -26.387 12.826 1.00 -0.08 C HETATM 3307 CH2 GLY A 1 -1.981 -25.585 13.659 1.00 -0.08 C HETATM 3308 CZ2 GLY A 1 -2.349 -25.326 14.952 1.00 -0.04 C HETATM 3309 H90 GLY A 1 -1.738 -24.703 15.595 1.00 0.05 H HETATM 3310 H92 GLY A 1 -1.061 -25.160 13.273 1.00 0.05 H HETATM 3311 H91 GLY A 1 -2.450 -26.571 11.806 1.00 0.05 H HETATM 3312 H89 GLY A 1 -4.551 -27.570 12.629 1.00 0.05 H HETATM 3313 H88 GLY A 1 -3.779 -25.276 17.448 1.00 0.22 H HETATM 3314 H87 GLY A 1 -5.987 -26.645 17.455 1.00 0.08 H HETATM 3315 H85 GLY A 1 -6.235 -29.000 14.824 1.00 0.04 H HETATM 3316 H86 GLY A 1 -7.385 -27.956 15.726 1.00 0.04 H HETATM 3317 H84 GLY A 1 -6.463 -27.030 13.017 1.00 0.08 H HETATM 3318 H83 GLY A 1 -8.492 -26.277 14.827 1.00 0.19 H HETATM 3319 CB GLY A 1 -10.977 -25.530 14.421 1.00 -0.00 C HETATM 3320 CG GLY A 1 -11.743 -26.778 14.019 1.00 0.00 C HETATM 3321 CD GLY A 1 -12.868 -27.105 14.981 1.00 0.04 C HETATM 3322 OE1 GLY A 1 -12.583 -27.303 16.181 1.00 -0.57 O HETATM 3323 OE2 GLY A 1 -14.032 -27.163 14.534 1.00 -0.57 O HETATM 3324 H81 GLY A 1 -11.044 -27.627 13.992 1.00 0.04 H HETATM 3325 H82 GLY A 1 -12.170 -26.622 13.017 1.00 0.04 H HETATM 3326 H79 GLY A 1 -11.701 -24.754 14.710 1.00 0.03 H HETATM 3327 H80 GLY A 1 -10.339 -25.775 15.283 1.00 0.03 H HETATM 3328 H78 GLY A 1 -9.579 -24.074 13.676 1.00 0.08 H HETATM 3329 H77 GLY A 1 -11.901 -24.762 12.183 1.00 0.19 H HETATM 3330 CB GLY A 1 -10.654 -23.898 8.573 1.00 0.00 C HETATM 3331 CG GLY A 1 -11.577 -24.284 7.445 1.00 -0.04 C HETATM 3332 CD1 GLY A 1 -12.898 -24.645 7.526 1.00 0.02 C HETATM 3333 NE1 GLY A 1 -13.386 -24.931 6.273 1.00 -0.29 N HETATM 3334 CE2 GLY A 1 -12.382 -24.759 5.356 1.00 0.06 C HETATM 3335 CD2 GLY A 1 -11.231 -24.354 6.057 1.00 -0.02 C HETATM 3336 CE3 GLY A 1 -10.058 -24.110 5.339 1.00 -0.07 C HETATM 3337 CZ3 GLY A 1 -10.067 -24.276 3.967 1.00 -0.08 C HETATM 3338 CH2 GLY A 1 -11.228 -24.681 3.296 1.00 -0.08 C HETATM 3339 CZ2 GLY A 1 -12.391 -24.925 3.973 1.00 -0.04 C HETATM 3340 H74 GLY A 1 -13.289 -25.237 3.451 1.00 0.05 H HETATM 3341 H76 GLY A 1 -11.204 -24.803 2.219 1.00 0.05 H HETATM 3342 H75 GLY A 1 -9.161 -24.090 3.401 1.00 0.05 H HETATM 3343 H73 GLY A 1 -9.155 -23.796 5.850 1.00 0.05 H HETATM 3344 H72 GLY A 1 -14.349 -25.226 6.058 1.00 0.22 H HETATM 3345 H71 GLY A 1 -13.476 -24.697 8.448 1.00 0.08 H HETATM 3346 H69 GLY A 1 -9.902 -24.692 8.688 1.00 0.04 H HETATM 3347 H70 GLY A 1 -10.155 -22.956 8.302 1.00 0.04 H HETATM 3348 H68 GLY A 1 -12.216 -24.378 9.987 1.00 0.08 H HETATM 3349 H67 GLY A 1 -11.551 -21.652 9.357 1.00 0.19 H HETATM 3350 CB GLY A 1 -13.074 -19.912 12.438 1.00 -0.00 C HETATM 3351 CG GLY A 1 -11.697 -19.530 12.955 1.00 -0.00 C HETATM 3352 SD GLY A 1 -11.763 -18.275 14.247 1.00 -0.16 S HETATM 3353 CE GLY A 1 -11.084 -16.862 13.381 1.00 -0.02 C HETATM 3354 H64 GLY A 1 -11.059 -15.995 14.057 1.00 0.03 H HETATM 3355 H65 GLY A 1 -11.713 -16.629 12.509 1.00 0.03 H HETATM 3356 H66 GLY A 1 -10.063 -17.094 13.045 1.00 0.03 H HETATM 3357 H62 GLY A 1 -11.102 -19.140 12.116 1.00 0.04 H HETATM 3358 H63 GLY A 1 -11.212 -20.429 13.362 1.00 0.04 H HETATM 3359 H60 GLY A 1 -13.496 -20.679 13.104 1.00 0.03 H HETATM 3360 H61 GLY A 1 -13.714 -19.017 12.457 1.00 0.03 H HETATM 3361 H59 GLY A 1 -12.317 -19.903 10.427 1.00 0.08 H HETATM 3362 H58 GLY A 1 -15.088 -19.797 10.897 1.00 0.19 H HETATM 3363 CB GLY A 1 -17.055 -21.412 9.256 1.00 -0.01 C HETATM 3364 CG GLY A 1 -18.484 -20.870 9.268 1.00 -0.02 C HETATM 3365 CD GLY A 1 -19.182 -21.088 10.608 1.00 0.06 C HETATM 3366 NE GLY A 1 -19.367 -22.509 10.907 1.00 -0.27 N HETATM 3367 CZ GLY A 1 -19.580 -23.008 12.133 1.00 0.29 C HETATM 3368 NH1 GLY A 1 -19.670 -22.210 13.194 1.00 -0.28 N HETATM 3369 H54 GLY A 1 -19.834 -22.612 14.128 1.00 0.26 H HETATM 3370 H55 GLY A 1 -19.576 -21.191 13.081 1.00 0.26 H HETATM 3371 NH2 GLY A 1 -19.715 -24.318 12.290 1.00 -0.28 N HETATM 3372 H56 GLY A 1 -19.647 -24.944 11.475 1.00 0.26 H HETATM 3373 H57 GLY A 1 -19.888 -24.709 13.227 1.00 0.26 H HETATM 3374 H53 GLY A 1 -19.331 -23.172 10.120 1.00 0.26 H HETATM 3375 H51 GLY A 1 -20.168 -20.601 10.578 1.00 0.07 H HETATM 3376 H52 GLY A 1 -18.573 -20.634 11.403 1.00 0.07 H HETATM 3377 H49 GLY A 1 -19.061 -21.380 8.483 1.00 0.03 H HETATM 3378 H50 GLY A 1 -18.453 -19.791 9.058 1.00 0.03 H HETATM 3379 H47 GLY A 1 -16.748 -21.610 10.293 1.00 0.03 H HETATM 3380 H48 GLY A 1 -17.042 -22.352 8.684 1.00 0.03 H HETATM 3381 H46 GLY A 1 -16.330 -19.418 8.899 1.00 0.08 H HETATM 3382 H45 GLY A 1 -15.622 -21.346 6.736 1.00 0.19 H HETATM 3383 CB GLY A 1 -17.732 -19.168 4.182 1.00 -0.02 C HETATM 3384 H42 GLY A 1 -17.705 -18.098 4.437 1.00 0.03 H HETATM 3385 H43 GLY A 1 -18.693 -19.597 4.503 1.00 0.03 H HETATM 3386 H44 GLY A 1 -17.622 -19.288 3.094 1.00 0.03 H HETATM 3387 H41 GLY A 1 -15.642 -19.470 4.527 1.00 0.08 H HETATM 3388 H40 GLY A 1 -17.492 -21.791 4.526 1.00 0.19 H HETATM 3389 CB GLY A 1 -15.927 -23.646 2.441 1.00 -0.00 C HETATM 3390 CG1 GLY A 1 -14.733 -23.154 1.620 1.00 -0.05 C HETATM 3391 CD1 GLY A 1 -14.649 -23.781 0.246 1.00 -0.06 C HETATM 3392 H37 GLY A 1 -13.772 -23.383 -0.285 1.00 0.02 H HETATM 3393 H38 GLY A 1 -15.560 -23.543 -0.322 1.00 0.02 H HETATM 3394 H39 GLY A 1 -14.553 -24.872 0.346 1.00 0.02 H HETATM 3395 H32 GLY A 1 -13.810 -23.393 2.169 1.00 0.03 H HETATM 3396 H33 GLY A 1 -14.817 -22.064 1.501 1.00 0.03 H HETATM 3397 CG2 GLY A 1 -17.203 -22.923 2.016 1.00 -0.06 C HETATM 3398 H34 GLY A 1 -18.049 -23.289 2.616 1.00 0.02 H HETATM 3399 H35 GLY A 1 -17.397 -23.118 0.951 1.00 0.02 H HETATM 3400 H36 GLY A 1 -17.082 -21.841 2.175 1.00 0.02 H HETATM 3401 H31 GLY A 1 -16.062 -24.719 2.240 1.00 0.03 H HETATM 3402 H30 GLY A 1 -14.701 -23.976 4.193 1.00 0.08 H HETATM 3403 H29 GLY A 1 -17.493 -24.499 4.291 1.00 0.19 H HETATM 3404 CB GLY A 1 -18.717 -23.882 7.431 1.00 0.04 C HETATM 3405 CG GLY A 1 -20.170 -24.315 7.360 1.00 0.04 C HETATM 3406 OD1 GLY A 1 -20.521 -25.067 6.426 1.00 -0.57 O HETATM 3407 OD2 GLY A 1 -20.958 -23.904 8.236 1.00 -0.57 O HETATM 3408 H27 GLY A 1 -18.610 -22.920 6.909 1.00 0.05 H HETATM 3409 H28 GLY A 1 -18.437 -23.759 8.488 1.00 0.05 H HETATM 3410 H26 GLY A 1 -18.334 -25.478 6.040 1.00 0.08 H HETATM 3411 H25 GLY A 1 -17.316 -25.558 8.764 1.00 0.19 H HETATM 3412 H22 GLY A 1 -15.958 -27.190 9.471 1.00 0.08 H HETATM 3413 H21 GLY A 1 -17.285 -29.701 8.677 1.00 0.19 H HETATM 3414 CB GLY A 1 -19.869 -29.198 11.716 1.00 -0.00 C HETATM 3415 CG GLY A 1 -21.394 -29.300 11.658 1.00 0.00 C HETATM 3416 CD GLY A 1 -22.094 -27.968 11.874 1.00 0.04 C HETATM 3417 OE1 GLY A 1 -21.972 -27.406 12.981 1.00 -0.57 O HETATM 3418 OE2 GLY A 1 -22.765 -27.491 10.934 1.00 -0.57 O HETATM 3419 H19 GLY A 1 -21.727 -30.000 12.438 1.00 0.04 H HETATM 3420 H20 GLY A 1 -21.681 -29.689 10.670 1.00 0.04 H HETATM 3421 H17 GLY A 1 -19.599 -28.173 12.010 1.00 0.03 H HETATM 3422 H18 GLY A 1 -19.501 -29.906 12.473 1.00 0.03 H HETATM 3423 H16 GLY A 1 -19.950 -29.538 9.586 1.00 0.08 H HETATM 3424 H15 GLY A 1 -18.057 -31.090 11.274 1.00 0.19 H HETATM 3425 CB GLY A 1 -18.328 -34.059 8.580 1.00 0.08 C HETATM 3426 CG GLY A 1 -17.360 -34.034 7.413 1.00 0.18 C HETATM 3427 OD1 GLY A 1 -16.144 -34.095 7.600 1.00 -0.40 O HETATM 3428 ND2 GLY A 1 -17.893 -33.943 6.198 1.00 -0.30 N HETATM 3429 H13 GLY A 1 -17.301 -33.922 5.393 1.00 0.18 H HETATM 3430 H14 GLY A 1 -18.886 -33.895 6.090 1.00 0.18 H HETATM 3431 H11 GLY A 1 -19.334 -33.812 8.209 1.00 0.06 H HETATM 3432 H12 GLY A 1 -18.334 -35.071 9.011 1.00 0.06 H HETATM 3433 H10 GLY A 1 -16.862 -32.898 9.648 1.00 0.08 H HETATM 3434 H9 GLY A 1 -19.152 -33.305 11.423 1.00 0.19 H HETATM 3435 H7 GLY A 1 -19.119 -35.000 12.947 1.00 0.08 H HETATM 3436 H8 GLY A 1 -17.637 -36.001 13.118 1.00 0.08 H HETATM 3437 H6 GLY A 1 -17.619 -33.143 13.962 1.00 0.19 H HETATM 3438 H4 GLY A 1 -17.513 -33.576 16.986 1.00 0.11 H HETATM 3439 H5 GLY A 1 -15.815 -34.134 16.807 1.00 0.11 H HETATM 3440 H1 GLY A 1 -16.018 -31.770 16.516 1.00 0.20 H HETATM 3441 H2 GLY A 1 -17.081 -31.955 15.273 1.00 0.20 H HETATM 3442 H3 GLY A 1 -15.525 -32.467 15.109 1.00 0.20 H CONECT 1 2 16 17 18 CONECT 16 1 CONECT 17 1 CONECT 18 1 CONECT 268 267 903 CONECT 677 676 2370 CONECT 777 776 1444 CONECT 801 800 2246 CONECT 811 810 1469 CONECT 903 268 902 CONECT 1444 777 1443 CONECT 1469 811 1468 CONECT 1570 1571 1585 1586 1587 CONECT 1585 1570 CONECT 1586 1570 CONECT 1587 1570 CONECT 1837 1836 2472 CONECT 2246 801 2245 CONECT 2346 2345 3013 CONECT 2370 677 2369 CONECT 2380 2379 3038 CONECT 2472 1837 2471 CONECT 3013 2346 3012 CONECT 3038 2380 3037 CONECT 3139 3140 3440 3441 3442 CONECT 3140 3139 3141 3438 3439 CONECT 3141 3140 3142 3143 CONECT 3142 3141 CONECT 3143 3141 3144 3437 CONECT 3144 3143 3145 3435 3436 CONECT 3145 3144 3146 3147 CONECT 3146 3145 CONECT 3147 3145 3148 3434 CONECT 3148 3147 3149 3425 3433 CONECT 3149 3148 3150 3151 CONECT 3150 3149 CONECT 3151 3149 3152 3424 CONECT 3152 3151 3153 3414 3423 CONECT 3153 3152 3154 3155 CONECT 3154 3153 CONECT 3155 3153 3156 3413 CONECT 3156 3155 3157 3281 3412 CONECT 3157 3156 3158 3159 CONECT 3158 3157 CONECT 3159 3157 3160 3411 CONECT 3160 3159 3161 3404 3410 CONECT 3161 3160 3162 3163 CONECT 3162 3161 CONECT 3163 3161 3164 3403 CONECT 3164 3163 3165 3389 3402 CONECT 3165 3164 3166 3167 CONECT 3166 3165 CONECT 3167 3165 3168 3388 CONECT 3168 3167 3169 3383 3387 CONECT 3169 3168 3170 3171 CONECT 3170 3169 CONECT 3171 3169 3172 3382 CONECT 3172 3171 3173 3363 3381 CONECT 3173 3172 3174 3175 CONECT 3174 3173 CONECT 3175 3173 3176 3362 CONECT 3176 3175 3177 3350 3361 CONECT 3177 3176 3178 3179 CONECT 3178 3177 CONECT 3179 3177 3180 3349 CONECT 3180 3179 3181 3330 3348 CONECT 3181 3180 3182 3183 CONECT 3182 3181 CONECT 3183 3181 3184 3329 CONECT 3184 3183 3185 3319 3328 CONECT 3185 3184 3186 3187 CONECT 3186 3185 CONECT 3187 3185 3188 3318 CONECT 3188 3187 3189 3299 3317 CONECT 3189 3188 3190 3191 CONECT 3190 3189 CONECT 3191 3189 3192 3298 CONECT 3192 3191 3193 3288 3297 CONECT 3193 3192 3194 3195 CONECT 3194 3193 CONECT 3195 3193 3196 3287 CONECT 3196 3195 3197 3278 3286 CONECT 3197 3196 3198 3199 CONECT 3198 3197 CONECT 3199 3197 3200 3277 CONECT 3200 3199 3201 3262 3276 CONECT 3201 3200 3202 3203 CONECT 3202 3201 CONECT 3203 3201 3204 3261 CONECT 3204 3203 3205 3251 3260 CONECT 3205 3204 3206 3207 CONECT 3206 3205 CONECT 3207 3205 3208 3250 CONECT 3208 3207 3209 3231 3249 CONECT 3209 3208 3210 3211 CONECT 3210 3209 CONECT 3211 3209 3212 3230 CONECT 3212 3211 3213 3216 3229 CONECT 3213 3212 3214 3215 CONECT 3214 3213 CONECT 3215 3213 CONECT 3216 3212 3217 3227 3228 CONECT 3217 3216 3218 3222 3226 CONECT 3218 3217 3219 3220 3221 CONECT 3219 3218 CONECT 3220 3218 CONECT 3221 3218 CONECT 3222 3217 3223 3224 3225 CONECT 3223 3222 CONECT 3224 3222 CONECT 3225 3222 CONECT 3226 3217 CONECT 3227 3216 CONECT 3228 3216 CONECT 3229 3212 CONECT 3230 3211 CONECT 3231 3208 3232 3247 3248 CONECT 3232 3231 3233 3245 3246 CONECT 3233 3232 3234 3243 3244 CONECT 3234 3233 3235 3242 CONECT 3235 3234 3236 3239 CONECT 3236 3235 3237 3238 CONECT 3237 3236 CONECT 3238 3236 CONECT 3239 3235 3240 3241 CONECT 3240 3239 CONECT 3241 3239 CONECT 3242 3234 CONECT 3243 3233 CONECT 3244 3233 CONECT 3245 3232 CONECT 3246 3232 CONECT 3247 3231 CONECT 3248 3231 CONECT 3249 3208 CONECT 3250 3207 CONECT 3251 3204 3252 3258 3259 CONECT 3252 3251 3253 3256 3257 CONECT 3253 3252 3254 3255 CONECT 3254 3253 CONECT 3255 3253 CONECT 3256 3252 CONECT 3257 3252 CONECT 3258 3251 CONECT 3259 3251 CONECT 3260 3204 CONECT 3261 3203 CONECT 3262 3200 3263 3274 3275 CONECT 3263 3262 3264 3268 CONECT 3264 3263 3265 3273 CONECT 3265 3264 3266 3272 CONECT 3266 3265 3267 3271 CONECT 3267 3266 3268 3270 CONECT 3268 3263 3267 3269 CONECT 3269 3268 CONECT 3270 3267 CONECT 3271 3266 CONECT 3272 3265 CONECT 3273 3264 CONECT 3274 3262 CONECT 3275 3262 CONECT 3276 3200 CONECT 3277 3199 CONECT 3278 3196 3279 3284 3285 CONECT 3279 3278 3280 CONECT 3280 3279 3281 CONECT 3281 3156 3280 3282 3283 CONECT 3282 3281 CONECT 3283 3281 CONECT 3284 3278 CONECT 3285 3278 CONECT 3286 3196 CONECT 3287 3195 CONECT 3288 3192 3289 3295 3296 CONECT 3289 3288 3290 3293 3294 CONECT 3290 3289 3291 3292 CONECT 3291 3290 CONECT 3292 3290 CONECT 3293 3289 CONECT 3294 3289 CONECT 3295 3288 CONECT 3296 3288 CONECT 3297 3192 CONECT 3298 3191 CONECT 3299 3188 3300 3315 3316 CONECT 3300 3299 3301 3304 CONECT 3301 3300 3302 3314 CONECT 3302 3301 3303 3313 CONECT 3303 3302 3304 3308 CONECT 3304 3300 3303 3305 CONECT 3305 3304 3306 3312 CONECT 3306 3305 3307 3311 CONECT 3307 3306 3308 3310 CONECT 3308 3303 3307 3309 CONECT 3309 3308 CONECT 3310 3307 CONECT 3311 3306 CONECT 3312 3305 CONECT 3313 3302 CONECT 3314 3301 CONECT 3315 3299 CONECT 3316 3299 CONECT 3317 3188 CONECT 3318 3187 CONECT 3319 3184 3320 3326 3327 CONECT 3320 3319 3321 3324 3325 CONECT 3321 3320 3322 3323 CONECT 3322 3321 CONECT 3323 3321 CONECT 3324 3320 CONECT 3325 3320 CONECT 3326 3319 CONECT 3327 3319 CONECT 3328 3184 CONECT 3329 3183 CONECT 3330 3180 3331 3346 3347 CONECT 3331 3330 3332 3335 CONECT 3332 3331 3333 3345 CONECT 3333 3332 3334 3344 CONECT 3334 3333 3335 3339 CONECT 3335 3331 3334 3336 CONECT 3336 3335 3337 3343 CONECT 3337 3336 3338 3342 CONECT 3338 3337 3339 3341 CONECT 3339 3334 3338 3340 CONECT 3340 3339 CONECT 3341 3338 CONECT 3342 3337 CONECT 3343 3336 CONECT 3344 3333 CONECT 3345 3332 CONECT 3346 3330 CONECT 3347 3330 CONECT 3348 3180 CONECT 3349 3179 CONECT 3350 3176 3351 3359 3360 CONECT 3351 3350 3352 3357 3358 CONECT 3352 3351 3353 CONECT 3353 3352 3354 3355 3356 CONECT 3354 3353 CONECT 3355 3353 CONECT 3356 3353 CONECT 3357 3351 CONECT 3358 3351 CONECT 3359 3350 CONECT 3360 3350 CONECT 3361 3176 CONECT 3362 3175 CONECT 3363 3172 3364 3379 3380 CONECT 3364 3363 3365 3377 3378 CONECT 3365 3364 3366 3375 3376 CONECT 3366 3365 3367 3374 CONECT 3367 3366 3368 3371 CONECT 3368 3367 3369 3370 CONECT 3369 3368 CONECT 3370 3368 CONECT 3371 3367 3372 3373 CONECT 3372 3371 CONECT 3373 3371 CONECT 3374 3366 CONECT 3375 3365 CONECT 3376 3365 CONECT 3377 3364 CONECT 3378 3364 CONECT 3379 3363 CONECT 3380 3363 CONECT 3381 3172 CONECT 3382 3171 CONECT 3383 3168 3384 3385 3386 CONECT 3384 3383 CONECT 3385 3383 CONECT 3386 3383 CONECT 3387 3168 CONECT 3388 3167 CONECT 3389 3164 3390 3397 3401 CONECT 3390 3389 3391 3395 3396 CONECT 3391 3390 3392 3393 3394 CONECT 3392 3391 CONECT 3393 3391 CONECT 3394 3391 CONECT 3395 3390 CONECT 3396 3390 CONECT 3397 3389 3398 3399 3400 CONECT 3398 3397 CONECT 3399 3397 CONECT 3400 3397 CONECT 3401 3389 CONECT 3402 3164 CONECT 3403 3163 CONECT 3404 3160 3405 3408 3409 CONECT 3405 3404 3406 3407 CONECT 3406 3405 CONECT 3407 3405 CONECT 3408 3404 CONECT 3409 3404 CONECT 3410 3160 CONECT 3411 3159 CONECT 3412 3156 CONECT 3413 3155 CONECT 3414 3152 3415 3421 3422 CONECT 3415 3414 3416 3419 3420 CONECT 3416 3415 3417 3418 CONECT 3417 3416 CONECT 3418 3416 CONECT 3419 3415 CONECT 3420 3415 CONECT 3421 3414 CONECT 3422 3414 CONECT 3423 3152 CONECT 3424 3151 CONECT 3425 3148 3426 3431 3432 CONECT 3426 3425 3427 3428 CONECT 3427 3426 CONECT 3428 3426 3429 3430 CONECT 3429 3428 CONECT 3430 3428 CONECT 3431 3425 CONECT 3432 3425 CONECT 3433 3148 CONECT 3434 3147 CONECT 3435 3144 CONECT 3436 3144 CONECT 3437 3143 CONECT 3438 3140 CONECT 3439 3140 CONECT 3440 3139 CONECT 3441 3139 CONECT 3442 3139 MASTER 0 0 0 0 0 0 0 0 3440 2 328 16 END
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Entry Information
PDB ID
1kat
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Vascular endothelial growth factor(VEGF)
Ligand Name
19-mer
EC.Number
E.C.-.-.-.-
Resolution
NMR
Affinity (Kd/Ki/IC50)
IC50=1.0uM
Release Year
2002
Protein/NA Sequence
Check fasta file
Primary Reference
(2002) J.Mol.Biol. Vol. 316: pp. 769-787
Ligand Properties
Formula
C
1
0
1
H
1
4
7
N
2
8
O
3
1
S
3
Molecular Weight
2345.610
Exact Mass
2343.990
No. of atoms
310
No. of bonds
315
Polar Surface Area
1057.83
LOGP Value
5.14 (
Computed with XLOGP3
)
-1.38 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 22
No. of Hydrogen Bond Acceptors: 31
No. of Rotatable Bonds: 56
No. of Nitrogen and Oxygen Atoms: 59
No. of Rings: 6
Canonical SMILES
CSCC[C@@H]1NC(=O)[C@H](CCC[NH+]=C(N)N)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)Cc1c[nH]c2c1cccc2)CCC(=O)O)Cc1c[nH]c2c1cccc2)CCC(=O)O)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CC(C)C)CCC[NH+]=C(N)N)CCC(=O)O)Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)C[NH3+])CC(=O)N)CCC(=O)O)[C@H](CC)C
InChI String
InChI=1S/C101H144N28O31S3/c1-7-50(4)82-98(158)113-51(5)83(143)115-59(23-15-34-108-100(104)105)84(144)121-65(33-36-161-6)90(150)124-68(40-54-45-111-58-22-14-12-20-56(54)58)93(153)118-62(26-30-78(135)136)87(147)123-67(39-53-44-110-57-21-13-11-19-55(53)57)92(152)119-63(27-31-79(137)138)88(148)127-72(47-162-163-48-73(97(157)125-70(42-81(141)142)95(155)129-82)128-89(149)64(28-32-80(139)140)120-94(154)69(41-74(103)130)114-76(132)46-112-75(131)43-102)96(156)122-66(38-52-17-9-8-10-18-52)91(151)117-61(25-29-77(133)134)86(146)116-60(24-16-35-109-101(106)107)85(145)126-71(99(159)160)37-49(2)3/h8-14,17-22,44-45,49-51,59-73,82,110-111H,7,15-16,23-43,46-48,102H2,1-6H3,(H2,103,130)(H,112,131)(H,113,158)(H,114,132)(H,115,143)(H,116,146)(H,117,151)(H,118,153)(H,119,152)(H,120,154)(H,121,144)(H,122,156)(H,123,147)(H,124,150)(H,125,157)(H,126,145)(H,127,148)(H,128,149)(H,129,155)(H,133,134)(H,135,136)(H,137,138)(H,139,140)(H,141,142)(H,159,160)(H4,104,105,108)(H4,106,107,109)/p+3/t50-,51-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,82-/m0/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
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Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
P15692
Entrez Gene ID
NCBI Entrez Gene ID:
7422
ASD
Information of known allosteric effects of PDB entries
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