Browse entries in the PDBbind-CN Database
HEADER 5VB9_COMPLEX COMPND 5VB9_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 17 GLY ASP LYS ASN PHE PRO ARG THR VAL MET VAL ASN LEU SEQRES 2 A 17 ASN ILE HIS ASN SEQRES 1 A 91 SER ASP TYR TYR ASP ARG SER THR SER PRO TRP ASN LEU SEQRES 2 A 91 HIS ARG ASN GLU ASP PRO GLU ARG TYR PRO SER VAL ILE SEQRES 3 A 91 TRP GLU ALA LYS CYS ARG HIS LEU GLY CYS ILE ASN ALA SEQRES 4 A 91 ASP GLY ASN VAL ASP TYR HIS MET ASN SER VAL PRO ILE SEQRES 5 A 91 GLN GLN GLU ILE LEU VAL LEU ARG ARG GLU PRO PRO HIS SEQRES 6 A 91 SER PRO ASN SER PHE ARG LEU GLU LYS ILE LEU VAL SER SEQRES 7 A 91 VAL GLY CYS THR CYS VAL THR PRO ILE VAL HIS HIS VAL SEQRES 1 C 17 GLY ASP LYS ASN PHE PRO ARG THR VAL MET VAL ASN LEU SEQRES 2 C 17 ASN ILE HIS ASN SEQRES 1 C 91 SER ASP TYR TYR ASP ARG SER THR SER PRO TRP ASN LEU SEQRES 2 C 91 HIS ARG ASN GLU ASP PRO GLU ARG TYR PRO SER VAL ILE SEQRES 3 C 91 TRP GLU ALA LYS CYS ARG HIS LEU GLY CYS ILE ASN ALA SEQRES 4 C 91 ASP GLY ASN VAL ASP TYR HIS MET ASN SER VAL PRO ILE SEQRES 5 C 91 GLN GLN GLU ILE LEU VAL LEU ARG ARG GLU PRO PRO HIS SEQRES 6 C 91 SER PRO ASN SER PHE ARG LEU GLU LYS ILE LEU VAL SER SEQRES 7 C 91 VAL GLY CYS THR CYS VAL THR PRO ILE VAL HIS HIS VAL HET CYS A 611 244 SSBOND 1 CYS A 71 CYS A 121 SSBOND 2 CYS A 76 CYS A 123 SSBOND 3 CYS C 71 CYS C 121 SSBOND 4 CYS C 76 CYS C 123 ATOM 1 N GLY A 14 0.994 43.827 169.368 1.00 57.75 N ATOM 2 CA GLY A 14 2.444 43.694 169.312 1.00 55.35 C ATOM 3 C GLY A 14 3.020 42.726 170.330 1.00 57.60 C ATOM 4 O GLY A 14 2.299 42.206 171.191 1.00 58.13 O ATOM 5 HN3 GLY A 14 0.715 44.171 170.309 1.00 0.00 H ATOM 6 HN2 GLY A 14 0.555 42.901 169.192 1.00 0.00 H ATOM 7 HN1 GLY A 14 0.681 44.504 168.643 1.00 0.00 H ATOM 8 N ASP A 15 4.337 42.466 170.217 1.00 51.96 N ATOM 9 CA ASP A 15 5.097 41.593 171.122 1.00 51.43 C ATOM 10 C ASP A 15 5.610 42.450 172.284 1.00 51.96 C ATOM 11 O ASP A 15 6.342 43.413 172.048 1.00 49.38 O ATOM 12 CB ASP A 15 6.276 40.942 170.356 1.00 52.30 C ATOM 13 CG ASP A 15 7.127 39.922 171.099 1.00 58.68 C ATOM 14 OD1 ASP A 15 7.093 39.907 172.354 1.00 61.04 O ATOM 15 OD2 ASP A 15 7.863 39.171 170.431 1.00 61.39 O ATOM 16 H ASP A 15 4.852 42.915 169.433 1.00 0.00 H ATOM 17 N LYS A 16 5.232 42.095 173.533 1.00 49.40 N ATOM 18 CA LYS A 16 5.637 42.830 174.745 1.00 47.79 C ATOM 19 C LYS A 16 7.136 42.691 175.064 1.00 49.41 C ATOM 20 O LYS A 16 7.668 43.511 175.808 1.00 48.56 O ATOM 21 CB LYS A 16 4.758 42.472 175.968 1.00 51.86 C ATOM 22 CG LYS A 16 4.702 40.982 176.324 1.00 70.91 C ATOM 23 CD LYS A 16 3.703 40.692 177.455 1.00 85.14 C ATOM 24 CE LYS A 16 2.302 40.398 176.957 1.00 99.06 C ATOM 25 NZ LYS A 16 1.367 40.088 178.073 1.00107.90 N ATOM 26 HZ1 LYS A 16 1.710 39.253 178.590 1.00 0.00 H ATOM 27 HZ2 LYS A 16 1.319 40.901 178.719 1.00 0.00 H ATOM 28 HZ3 LYS A 16 0.421 39.893 177.687 1.00 0.00 H ATOM 29 H LYS A 16 4.623 41.259 173.644 1.00 0.00 H ATOM 30 N ASN A 17 7.821 41.679 174.480 1.00 44.39 N ATOM 31 CA ASN A 17 9.267 41.484 174.665 1.00 41.99 C ATOM 32 C ASN A 17 10.069 42.382 173.709 1.00 39.79 C ATOM 33 O ASN A 17 11.270 42.574 173.915 1.00 38.30 O ATOM 34 CB ASN A 17 9.653 40.010 174.493 1.00 45.64 C ATOM 35 CG ASN A 17 9.150 39.142 175.626 1.00 68.59 C ATOM 36 OD1 ASN A 17 9.502 39.333 176.797 1.00 55.68 O ATOM 37 ND2 ASN A 17 8.301 38.179 175.306 1.00 67.00 N ATOM 38 HD22 ASN A 17 8.022 38.040 174.314 1.00 0.00 H ATOM 39 HD21 ASN A 17 7.913 37.561 176.047 1.00 0.00 H ATOM 40 H ASN A 17 7.302 41.011 173.875 1.00 0.00 H ATOM 41 N PHE A 18 9.410 42.935 172.679 1.00 34.84 N ATOM 42 CA PHE A 18 10.081 43.817 171.718 1.00 32.64 C ATOM 43 C PHE A 18 10.467 45.159 172.389 1.00 37.45 C ATOM 44 O PHE A 18 9.587 45.809 172.965 1.00 37.75 O ATOM 45 CB PHE A 18 9.244 44.028 170.436 1.00 33.49 C ATOM 46 CG PHE A 18 9.948 44.884 169.403 1.00 32.93 C ATOM 47 CD1 PHE A 18 11.006 44.372 168.650 1.00 34.51 C ATOM 48 CD2 PHE A 18 9.555 46.199 169.182 1.00 33.68 C ATOM 49 CE1 PHE A 18 11.686 45.181 167.734 1.00 33.94 C ATOM 50 CE2 PHE A 18 10.215 46.996 168.245 1.00 34.96 C ATOM 51 CZ PHE A 18 11.263 46.474 167.510 1.00 32.94 C ATOM 52 H PHE A 18 8.397 42.733 172.559 1.00 0.00 H ATOM 53 N PRO A 19 11.757 45.588 172.361 1.00 33.38 N ATOM 54 CA PRO A 19 12.097 46.855 173.034 1.00 33.53 C ATOM 55 C PRO A 19 11.461 48.070 172.340 1.00 38.46 C ATOM 56 O PRO A 19 11.732 48.320 171.164 1.00 36.64 O ATOM 57 CB PRO A 19 13.633 46.873 173.032 1.00 34.29 C ATOM 58 CG PRO A 19 14.015 46.024 171.852 1.00 36.64 C ATOM 59 CD PRO A 19 12.943 44.967 171.736 1.00 33.70 C ATOM 60 N ARG A 20 10.573 48.797 173.075 1.00 38.48 N ATOM 61 CA ARG A 20 9.864 49.996 172.584 1.00 38.69 C ATOM 62 C ARG A 20 10.830 51.197 172.460 1.00 38.71 C ATOM 63 O ARG A 20 10.510 52.182 171.791 1.00 41.60 O ATOM 64 CB ARG A 20 8.684 50.349 173.507 1.00 45.29 C ATOM 65 CG ARG A 20 7.673 51.313 172.873 1.00 57.00 C ATOM 66 CD ARG A 20 6.881 52.062 173.922 1.00 66.52 C ATOM 67 NE ARG A 20 6.386 53.343 173.417 1.00 74.26 N ATOM 68 CZ ARG A 20 6.898 54.529 173.738 1.00 84.60 C ATOM 69 NH1 ARG A 20 7.925 54.613 174.578 1.00 68.89 N ATOM 70 NH2 ARG A 20 6.382 55.640 173.229 1.00 65.56 N ATOM 71 HE ARG A 20 5.578 53.326 172.762 1.00 0.00 H ATOM 72 HH12 ARG A 20 8.320 55.543 174.825 1.00 0.00 H ATOM 73 HH11 ARG A 20 8.333 53.749 174.988 1.00 0.00 H ATOM 74 HH22 ARG A 20 6.785 56.564 173.483 1.00 0.00 H ATOM 75 HH21 ARG A 20 5.574 55.587 172.576 1.00 0.00 H ATOM 76 H ARG A 20 10.381 48.486 174.049 1.00 0.00 H ATOM 77 N THR A 21 11.999 51.110 173.109 1.00 28.22 N ATOM 78 CA THR A 21 13.089 52.078 173.056 1.00 24.60 C ATOM 79 C THR A 21 14.430 51.348 173.031 1.00 23.98 C ATOM 80 O THR A 21 14.683 50.437 173.838 1.00 23.28 O ATOM 81 CB THR A 21 13.032 53.052 174.244 1.00 28.35 C ATOM 82 OG1 THR A 21 11.751 53.674 174.257 1.00 30.91 O ATOM 83 CG2 THR A 21 14.122 54.112 174.171 1.00 25.48 C ATOM 84 HG1 THR A 21 11.616 54.166 173.409 1.00 0.00 H ATOM 85 H THR A 21 12.143 50.272 173.708 1.00 0.00 H ATOM 86 N VAL A 22 15.309 51.817 172.139 1.00 19.75 N ATOM 87 CA VAL A 22 16.673 51.295 172.059 1.00 18.47 C ATOM 88 C VAL A 22 17.638 52.468 172.145 1.00 20.94 C ATOM 89 O VAL A 22 17.233 53.613 171.940 1.00 20.53 O ATOM 90 CB VAL A 22 16.915 50.439 170.792 1.00 18.71 C ATOM 91 CG1 VAL A 22 15.962 49.250 170.742 1.00 18.19 C ATOM 92 CG2 VAL A 22 16.810 51.289 169.514 1.00 17.09 C ATOM 93 H VAL A 22 15.016 52.571 171.486 1.00 0.00 H ATOM 94 N MET A 23 18.908 52.189 172.460 1.00 17.29 N ATOM 95 CA MET A 23 19.926 53.253 172.463 1.00 16.43 C ATOM 96 C MET A 23 20.652 53.239 171.141 1.00 18.39 C ATOM 97 O MET A 23 20.969 52.164 170.583 1.00 19.23 O ATOM 98 CB MET A 23 20.912 53.036 173.619 1.00 18.59 C ATOM 99 CG MET A 23 20.268 53.323 174.968 1.00 21.58 C ATOM 100 SD MET A 23 21.452 53.118 176.330 1.00 24.12 S ATOM 101 CE MET A 23 21.631 51.303 176.374 1.00 21.45 C ATOM 102 H MET A 23 19.178 51.215 172.704 1.00 0.00 H ATOM 103 N VAL A 24 20.949 54.447 170.641 1.00 16.43 N ATOM 104 CA VAL A 24 21.685 54.598 169.396 1.00 16.66 C ATOM 105 C VAL A 24 22.802 55.613 169.585 1.00 20.65 C ATOM 106 O VAL A 24 22.550 56.739 170.011 1.00 21.42 O ATOM 107 CB VAL A 24 20.781 54.955 168.184 1.00 19.05 C ATOM 108 CG1 VAL A 24 21.618 55.183 166.904 1.00 19.30 C ATOM 109 CG2 VAL A 24 19.720 53.859 167.940 1.00 18.51 C ATOM 110 H VAL A 24 20.645 55.298 171.157 1.00 0.00 H ATOM 111 N ASN A 25 24.018 55.224 169.241 1.00 18.37 N ATOM 112 CA ASN A 25 25.141 56.150 169.246 1.00 18.66 C ATOM 113 C ASN A 25 25.133 56.795 167.853 1.00 21.43 C ATOM 114 O ASN A 25 25.300 56.106 166.845 1.00 18.77 O ATOM 115 CB ASN A 25 26.448 55.389 169.502 1.00 21.67 C ATOM 116 CG ASN A 25 27.656 56.290 169.639 1.00 30.71 C ATOM 117 OD1 ASN A 25 27.768 57.344 169.005 1.00 25.77 O ATOM 118 ND2 ASN A 25 28.573 55.906 170.506 1.00 30.28 N ATOM 119 HD22 ASN A 25 28.455 55.014 171.027 1.00 0.00 H ATOM 120 HD21 ASN A 25 29.414 56.495 170.668 1.00 0.00 H ATOM 121 H ASN A 25 24.175 54.235 168.961 1.00 0.00 H ATOM 122 N LEU A 26 24.924 58.126 167.798 1.00 18.57 N ATOM 123 CA LEU A 26 24.834 58.831 166.503 1.00 18.12 C ATOM 124 C LEU A 26 26.177 59.069 165.811 1.00 23.40 C ATOM 125 O LEU A 26 26.182 59.551 164.675 1.00 23.85 O ATOM 126 CB LEU A 26 24.066 60.153 166.648 1.00 17.89 C ATOM 127 CG LEU A 26 22.629 60.110 167.140 1.00 20.54 C ATOM 128 CD1 LEU A 26 22.092 61.537 167.328 1.00 19.93 C ATOM 129 CD2 LEU A 26 21.740 59.290 166.228 1.00 23.93 C ATOM 130 H LEU A 26 24.825 58.665 168.682 1.00 0.00 H ATOM 131 N ASN A 27 27.310 58.730 166.459 1.00 22.64 N ATOM 132 CA ASN A 27 28.634 58.931 165.847 1.00 23.60 C ATOM 133 C ASN A 27 28.936 57.844 164.811 1.00 25.16 C ATOM 134 O ASN A 27 29.359 56.748 165.152 1.00 25.82 O ATOM 135 CB ASN A 27 29.728 59.031 166.911 1.00 25.28 C ATOM 136 CG ASN A 27 29.543 60.236 167.813 1.00 42.21 C ATOM 137 OD1 ASN A 27 29.548 61.382 167.358 1.00 37.21 O ATOM 138 ND2 ASN A 27 29.318 60.008 169.092 1.00 39.64 N ATOM 139 HD22 ASN A 27 29.318 59.033 169.454 1.00 0.00 H ATOM 140 HD21 ASN A 27 29.140 60.803 169.738 1.00 0.00 H ATOM 141 H ASN A 27 27.247 58.318 167.412 1.00 0.00 H ATOM 142 N ILE A 28 28.682 58.156 163.548 1.00 22.79 N ATOM 143 CA ILE A 28 28.918 57.216 162.437 1.00 24.68 C ATOM 144 C ILE A 28 30.444 57.062 162.206 1.00 37.76 C ATOM 145 O ILE A 28 31.154 58.071 162.134 1.00 36.95 O ATOM 146 CB ILE A 28 28.202 57.734 161.150 1.00 27.10 C ATOM 147 CG1 ILE A 28 26.681 57.895 161.372 1.00 27.02 C ATOM 148 CG2 ILE A 28 28.537 56.867 159.912 1.00 26.69 C ATOM 149 CD1 ILE A 28 25.903 58.736 160.263 1.00 32.53 C ATOM 150 H ILE A 28 28.302 59.100 163.333 1.00 0.00 H ATOM 151 N HIS A 29 30.951 55.829 162.098 1.00 42.43 N ATOM 152 CA HIS A 29 32.382 55.661 161.808 1.00 47.05 C ATOM 153 C HIS A 29 32.685 54.489 160.863 1.00 58.05 C ATOM 154 O HIS A 29 33.614 54.599 160.055 1.00 60.22 O ATOM 155 CB HIS A 29 33.270 55.609 163.073 1.00 49.38 C ATOM 156 CG HIS A 29 32.974 54.528 164.066 1.00 53.13 C ATOM 157 ND1 HIS A 29 32.733 53.220 163.675 1.00 54.91 N ATOM 158 CD2 HIS A 29 33.015 54.575 165.418 1.00 55.54 C ATOM 159 CE1 HIS A 29 32.587 52.532 164.796 1.00 54.58 C ATOM 160 NE2 HIS A 29 32.751 53.302 165.868 1.00 55.33 N ATOM 161 H HIS A 29 30.338 54.997 162.218 1.00 0.00 H ATOM 162 N ASN A 30 31.913 53.381 160.957 1.00 57.07 N ATOM 163 CA ASN A 30 32.104 52.164 160.155 1.00 99.02 C ATOM 164 C ASN A 30 30.814 51.357 160.050 1.00138.07 C ATOM 165 O ASN A 30 30.717 50.455 159.219 1.00105.57 O ATOM 166 CB ASN A 30 33.221 51.294 160.755 1.00101.44 C ATOM 167 H ASN A 30 31.132 53.392 161.643 1.00 0.00 H TER 168 ASN A 30 ATOM 169 N SER A 41 32.166 62.425 136.385 1.00 45.45 N ATOM 170 CA SER A 41 31.140 63.468 136.369 1.00 44.19 C ATOM 171 C SER A 41 29.756 62.935 136.792 1.00 46.91 C ATOM 172 O SER A 41 29.632 61.738 137.061 1.00 46.90 O ATOM 173 CB SER A 41 31.082 64.135 134.998 1.00 43.75 C ATOM 174 OG SER A 41 30.472 65.407 135.129 1.00 40.05 O ATOM 175 HG SER A 41 30.431 65.845 134.242 1.00 0.00 H ATOM 176 HN3 SER A 41 31.898 61.666 135.726 1.00 0.00 H ATOM 177 HN2 SER A 41 32.250 62.038 137.346 1.00 0.00 H ATOM 178 HN1 SER A 41 33.077 62.832 136.094 1.00 0.00 H ATOM 179 N ASP A 42 28.721 63.835 136.845 1.00 41.23 N ATOM 180 CA ASP A 42 27.359 63.543 137.288 1.00 37.72 C ATOM 181 C ASP A 42 26.362 63.090 136.206 1.00 36.46 C ATOM 182 O ASP A 42 26.138 63.719 135.153 1.00 39.62 O ATOM 183 CB ASP A 42 26.768 64.725 138.036 1.00 40.49 C ATOM 184 CG ASP A 42 27.671 65.271 139.118 1.00 50.96 C ATOM 185 OD1 ASP A 42 28.101 64.478 139.992 1.00 50.24 O ATOM 186 OD2 ASP A 42 27.998 66.469 139.058 1.00 59.81 O ATOM 187 H ASP A 42 28.924 64.810 136.544 1.00 0.00 H ATOM 188 N TYR A 43 25.646 62.068 136.576 1.00 23.42 N ATOM 189 CA TYR A 43 24.721 61.406 135.673 1.00 21.35 C ATOM 190 C TYR A 43 23.418 62.133 135.463 1.00 22.84 C ATOM 191 O TYR A 43 22.838 61.936 134.417 1.00 20.28 O ATOM 192 CB TYR A 43 24.424 59.983 136.197 1.00 20.68 C ATOM 193 CG TYR A 43 25.635 59.132 136.510 1.00 21.78 C ATOM 194 CD1 TYR A 43 26.810 59.251 135.772 1.00 23.75 C ATOM 195 CD2 TYR A 43 25.592 58.171 137.521 1.00 22.73 C ATOM 196 CE1 TYR A 43 27.905 58.419 136.015 1.00 25.04 C ATOM 197 CE2 TYR A 43 26.693 57.363 137.798 1.00 23.43 C ATOM 198 CZ TYR A 43 27.836 57.474 137.027 1.00 26.91 C ATOM 199 OH TYR A 43 28.922 56.679 137.284 1.00 31.18 O ATOM 200 HH TYR A 43 29.644 56.891 136.641 1.00 0.00 H ATOM 201 H TYR A 43 25.739 61.714 137.549 1.00 0.00 H ATOM 202 N TYR A 44 22.937 62.942 136.428 1.00 20.77 N ATOM 203 CA TYR A 44 21.646 63.654 136.299 1.00 21.92 C ATOM 204 C TYR A 44 21.536 64.438 135.003 1.00 23.65 C ATOM 205 O TYR A 44 20.429 64.624 134.502 1.00 21.51 O ATOM 206 CB TYR A 44 21.351 64.548 137.529 1.00 22.93 C ATOM 207 CG TYR A 44 22.200 65.796 137.638 1.00 26.85 C ATOM 208 CD1 TYR A 44 21.795 66.987 137.053 1.00 30.62 C ATOM 209 CD2 TYR A 44 23.401 65.787 138.337 1.00 28.82 C ATOM 210 CE1 TYR A 44 22.575 68.142 137.143 1.00 36.77 C ATOM 211 CE2 TYR A 44 24.187 66.942 138.442 1.00 31.36 C ATOM 212 CZ TYR A 44 23.756 68.120 137.866 1.00 42.66 C ATOM 213 OH TYR A 44 24.537 69.245 137.970 1.00 51.20 O ATOM 214 HH TYR A 44 25.417 69.074 137.551 1.00 0.00 H ATOM 215 H TYR A 44 23.494 63.071 137.296 1.00 0.00 H ATOM 216 N ASP A 45 22.686 64.938 134.480 1.00 21.82 N ATOM 217 CA ASP A 45 22.798 65.716 133.255 1.00 24.19 C ATOM 218 C ASP A 45 23.061 64.893 132.001 1.00 27.66 C ATOM 219 O ASP A 45 22.583 65.256 130.932 1.00 28.67 O ATOM 220 CB ASP A 45 23.961 66.738 133.408 1.00 28.70 C ATOM 221 CG ASP A 45 23.554 68.178 133.601 1.00 45.02 C ATOM 222 OD1 ASP A 45 22.406 68.523 133.250 1.00 42.86 O ATOM 223 OD2 ASP A 45 24.412 68.981 134.033 1.00 57.17 O ATOM 224 H ASP A 45 23.565 64.748 135.002 1.00 0.00 H ATOM 225 N ARG A 46 23.891 63.851 132.105 1.00 22.98 N ATOM 226 CA ARG A 46 24.364 63.039 130.978 1.00 22.09 C ATOM 227 C ARG A 46 23.412 61.876 130.624 1.00 19.74 C ATOM 228 O ARG A 46 23.547 61.247 129.564 1.00 17.54 O ATOM 229 CB ARG A 46 25.758 62.467 131.330 1.00 25.26 C ATOM 230 CG ARG A 46 26.873 63.488 131.238 1.00 39.84 C ATOM 231 CD ARG A 46 28.205 62.791 131.193 1.00 40.66 C ATOM 232 NE ARG A 46 28.546 62.160 132.464 1.00 36.13 N ATOM 233 CZ ARG A 46 29.063 60.939 132.588 1.00 36.49 C ATOM 234 NH1 ARG A 46 29.192 60.152 131.522 1.00 25.98 N ATOM 235 NH2 ARG A 46 29.407 60.481 133.779 1.00 30.02 N ATOM 236 HE ARG A 46 28.373 62.702 133.334 1.00 0.00 H ATOM 237 HH12 ARG A 46 29.596 59.199 131.625 1.00 0.00 H ATOM 238 HH11 ARG A 46 28.888 60.490 130.586 1.00 0.00 H ATOM 239 HH22 ARG A 46 29.810 59.527 133.873 1.00 0.00 H ATOM 240 HH21 ARG A 46 29.274 61.075 134.623 1.00 0.00 H ATOM 241 H ARG A 46 24.227 63.596 133.056 1.00 0.00 H ATOM 242 N SER A 47 22.506 61.563 131.537 1.00 15.87 N ATOM 243 CA SER A 47 21.561 60.452 131.328 1.00 13.54 C ATOM 244 C SER A 47 20.610 60.706 130.171 1.00 15.92 C ATOM 245 O SER A 47 20.233 61.877 129.926 1.00 14.94 O ATOM 246 CB SER A 47 20.751 60.241 132.613 1.00 14.81 C ATOM 247 OG SER A 47 19.768 59.236 132.415 1.00 13.94 O ATOM 248 HG SER A 47 20.212 58.386 132.168 1.00 0.00 H ATOM 249 H SER A 47 22.460 62.112 132.419 1.00 0.00 H ATOM 250 N THR A 48 20.165 59.620 129.472 1.00 12.71 N ATOM 251 CA THR A 48 19.109 59.742 128.448 1.00 14.21 C ATOM 252 C THR A 48 17.768 60.023 129.156 1.00 15.85 C ATOM 253 O THR A 48 16.808 60.440 128.521 1.00 14.95 O ATOM 254 CB THR A 48 19.013 58.496 127.555 1.00 17.38 C ATOM 255 OG1 THR A 48 18.522 57.399 128.349 1.00 16.31 O ATOM 256 CG2 THR A 48 20.375 58.174 126.846 1.00 15.51 C ATOM 257 HG1 THR A 48 19.146 57.230 129.098 1.00 0.00 H ATOM 258 H THR A 48 20.580 58.686 129.666 1.00 0.00 H ATOM 259 N SER A 49 17.699 59.772 130.488 1.00 14.05 N ATOM 260 CA SER A 49 16.500 60.102 131.294 1.00 12.73 C ATOM 261 C SER A 49 17.001 61.070 132.393 1.00 15.17 C ATOM 262 O SER A 49 17.121 60.696 133.564 1.00 13.36 O ATOM 263 CB SER A 49 15.917 58.832 131.918 1.00 12.96 C ATOM 264 OG SER A 49 16.938 58.086 132.598 1.00 12.61 O ATOM 265 HG SER A 49 17.644 57.831 131.953 1.00 0.00 H ATOM 266 H SER A 49 18.516 59.333 130.959 1.00 0.00 H ATOM 267 N PRO A 50 17.375 62.302 132.006 1.00 13.74 N ATOM 268 CA PRO A 50 17.970 63.231 132.976 1.00 14.99 C ATOM 269 C PRO A 50 16.977 63.679 134.041 1.00 16.86 C ATOM 270 O PRO A 50 15.762 63.503 133.876 1.00 15.14 O ATOM 271 CB PRO A 50 18.443 64.387 132.076 1.00 17.33 C ATOM 272 CG PRO A 50 17.451 64.420 130.984 1.00 20.26 C ATOM 273 CD PRO A 50 17.269 62.928 130.675 1.00 14.05 C ATOM 274 N TRP A 51 17.502 64.200 135.160 1.00 15.32 N ATOM 275 CA TRP A 51 16.654 64.649 136.245 1.00 15.97 C ATOM 276 C TRP A 51 17.177 65.902 136.904 1.00 20.41 C ATOM 277 O TRP A 51 18.337 66.300 136.670 1.00 18.57 O ATOM 278 CB TRP A 51 16.466 63.516 137.273 1.00 14.48 C ATOM 279 CG TRP A 51 17.733 63.065 137.973 1.00 16.00 C ATOM 280 CD1 TRP A 51 18.183 63.481 139.195 1.00 18.90 C ATOM 281 CD2 TRP A 51 18.589 61.966 137.579 1.00 15.30 C ATOM 282 NE1 TRP A 51 19.293 62.742 139.571 1.00 18.56 N ATOM 283 CE2 TRP A 51 19.581 61.829 138.579 1.00 18.45 C ATOM 284 CE3 TRP A 51 18.680 61.163 136.416 1.00 16.02 C ATOM 285 CZ2 TRP A 51 20.582 60.845 138.509 1.00 17.16 C ATOM 286 CZ3 TRP A 51 19.673 60.193 136.342 1.00 16.73 C ATOM 287 CH2 TRP A 51 20.611 60.042 137.377 1.00 17.32 C ATOM 288 HE1 TRP A 51 19.823 62.857 140.458 1.00 0.00 H ATOM 289 H TRP A 51 18.535 64.283 135.250 1.00 0.00 H ATOM 290 N ASN A 52 16.281 66.572 137.643 1.00 17.24 N ATOM 291 CA ASN A 52 16.587 67.726 138.441 1.00 17.58 C ATOM 292 C ASN A 52 16.465 67.294 139.888 1.00 20.29 C ATOM 293 O ASN A 52 15.823 66.294 140.186 1.00 19.05 O ATOM 294 CB ASN A 52 15.607 68.873 138.160 1.00 17.95 C ATOM 295 CG ASN A 52 15.607 69.325 136.737 1.00 36.61 C ATOM 296 OD1 ASN A 52 16.649 69.432 136.093 1.00 31.97 O ATOM 297 ND2 ASN A 52 14.421 69.541 136.201 1.00 33.24 N ATOM 298 HD22 ASN A 52 13.563 69.440 136.780 1.00 0.00 H ATOM 299 HD21 ASN A 52 14.344 69.812 135.200 1.00 0.00 H ATOM 300 H ASN A 52 15.298 66.233 137.638 1.00 0.00 H ATOM 301 N LEU A 53 17.072 68.066 140.797 1.00 19.25 N ATOM 302 CA LEU A 53 17.033 67.701 142.189 1.00 19.50 C ATOM 303 C LEU A 53 16.335 68.789 143.000 1.00 20.32 C ATOM 304 O LEU A 53 16.597 69.977 142.790 1.00 22.76 O ATOM 305 CB LEU A 53 18.447 67.388 142.687 1.00 21.48 C ATOM 306 CG LEU A 53 19.016 66.076 142.085 1.00 26.20 C ATOM 307 CD1 LEU A 53 20.496 66.198 141.774 1.00 31.85 C ATOM 308 CD2 LEU A 53 18.605 64.854 142.899 1.00 21.51 C ATOM 309 H LEU A 53 17.571 68.928 140.498 1.00 0.00 H ATOM 310 N HIS A 54 15.401 68.370 143.866 1.00 16.55 N ATOM 311 CA HIS A 54 14.637 69.289 144.701 1.00 18.80 C ATOM 312 C HIS A 54 15.040 69.121 146.181 1.00 19.15 C ATOM 313 O HIS A 54 14.933 68.019 146.704 1.00 18.01 O ATOM 314 CB HIS A 54 13.128 69.024 144.534 1.00 21.70 C ATOM 315 CG HIS A 54 12.333 70.063 145.235 1.00 28.04 C ATOM 316 ND1 HIS A 54 12.130 71.308 144.663 1.00 31.99 N ATOM 317 CD2 HIS A 54 11.851 70.071 146.503 1.00 32.10 C ATOM 318 CE1 HIS A 54 11.502 72.027 145.581 1.00 33.57 C ATOM 319 NE2 HIS A 54 11.312 71.322 146.709 1.00 33.33 N ATOM 320 H HIS A 54 15.214 67.350 143.945 1.00 0.00 H ATOM 321 N ARG A 55 15.417 70.215 146.840 1.00 15.64 N ATOM 322 CA ARG A 55 15.869 70.130 148.244 1.00 15.82 C ATOM 323 C ARG A 55 14.702 70.219 149.218 1.00 20.40 C ATOM 324 O ARG A 55 13.809 71.042 149.038 1.00 20.28 O ATOM 325 CB ARG A 55 16.849 71.305 148.478 1.00 17.64 C ATOM 326 CG ARG A 55 17.662 71.265 149.790 1.00 19.88 C ATOM 327 CD ARG A 55 18.559 72.504 149.740 1.00 23.27 C ATOM 328 NE ARG A 55 19.625 72.492 150.749 1.00 26.01 N ATOM 329 CZ ARG A 55 19.474 72.860 152.005 1.00 29.70 C ATOM 330 NH1 ARG A 55 18.306 73.325 152.431 1.00 27.36 N ATOM 331 NH2 ARG A 55 20.506 72.823 152.841 1.00 29.55 N ATOM 332 HE ARG A 55 20.568 72.170 150.451 1.00 0.00 H ATOM 333 HH12 ARG A 55 18.192 73.614 153.423 1.00 0.00 H ATOM 334 HH11 ARG A 55 17.505 73.400 151.772 1.00 0.00 H ATOM 335 HH22 ARG A 55 20.383 73.114 153.832 1.00 0.00 H ATOM 336 HH21 ARG A 55 21.437 72.503 152.505 1.00 0.00 H ATOM 337 H ARG A 55 15.393 71.138 146.362 1.00 0.00 H ATOM 338 N ASN A 56 14.767 69.412 150.296 1.00 20.01 N ATOM 339 CA ASN A 56 13.788 69.511 151.368 1.00 21.21 C ATOM 340 C ASN A 56 14.526 69.575 152.692 1.00 21.68 C ATOM 341 O ASN A 56 15.361 68.717 152.966 1.00 21.34 O ATOM 342 CB ASN A 56 12.790 68.337 151.334 1.00 21.04 C ATOM 343 CG ASN A 56 11.821 68.413 152.501 1.00 34.38 C ATOM 344 OD1 ASN A 56 12.081 67.858 153.575 1.00 30.54 O ATOM 345 ND2 ASN A 56 10.788 69.250 152.382 1.00 30.10 N ATOM 346 HD22 ASN A 56 10.590 69.705 151.468 1.00 0.00 H ATOM 347 HD21 ASN A 56 10.181 69.448 153.203 1.00 0.00 H ATOM 348 H ASN A 56 15.529 68.707 150.362 1.00 0.00 H ATOM 349 N GLU A 57 14.194 70.555 153.517 1.00 19.43 N ATOM 350 CA GLU A 57 14.830 70.695 154.827 1.00 19.23 C ATOM 351 C GLU A 57 13.759 70.706 155.922 1.00 23.59 C ATOM 352 O GLU A 57 12.783 71.468 155.838 1.00 23.41 O ATOM 353 CB GLU A 57 15.687 71.985 154.866 1.00 20.31 C ATOM 354 CG GLU A 57 16.427 72.167 156.180 1.00 22.06 C ATOM 355 CD GLU A 57 17.548 73.197 156.154 1.00 30.43 C ATOM 356 OE1 GLU A 57 17.606 74.000 155.194 1.00 29.63 O ATOM 357 OE2 GLU A 57 18.341 73.229 157.121 1.00 28.27 O ATOM 358 H GLU A 57 13.466 71.240 153.228 1.00 0.00 H ATOM 359 N ASP A 58 13.971 69.900 156.967 1.00 21.76 N ATOM 360 CA ASP A 58 13.069 69.788 158.109 1.00 20.26 C ATOM 361 C ASP A 58 13.954 69.612 159.358 1.00 20.63 C ATOM 362 O ASP A 58 14.534 68.520 159.520 1.00 18.90 O ATOM 363 CB ASP A 58 12.152 68.543 157.911 1.00 21.16 C ATOM 364 CG ASP A 58 11.089 68.320 158.987 1.00 22.93 C ATOM 365 OD1 ASP A 58 11.177 68.948 160.045 1.00 24.26 O ATOM 366 OD2 ASP A 58 10.212 67.464 158.779 1.00 30.77 O ATOM 367 H ASP A 58 14.832 69.317 156.966 1.00 0.00 H ATOM 368 N PRO A 59 14.072 70.630 160.232 1.00 20.59 N ATOM 369 CA PRO A 59 14.922 70.495 161.436 1.00 21.13 C ATOM 370 C PRO A 59 14.441 69.446 162.443 1.00 24.88 C ATOM 371 O PRO A 59 15.197 69.099 163.338 1.00 26.19 O ATOM 372 CB PRO A 59 14.909 71.897 162.054 1.00 24.34 C ATOM 373 CG PRO A 59 13.638 72.502 161.577 1.00 29.30 C ATOM 374 CD PRO A 59 13.431 71.966 160.183 1.00 23.51 C ATOM 375 N GLU A 60 13.211 68.921 162.271 1.00 19.13 N ATOM 376 CA GLU A 60 12.659 67.885 163.165 1.00 19.60 C ATOM 377 C GLU A 60 13.060 66.492 162.728 1.00 20.27 C ATOM 378 O GLU A 60 12.723 65.495 163.390 1.00 20.07 O ATOM 379 CB GLU A 60 11.134 68.023 163.263 1.00 21.40 C ATOM 380 CG GLU A 60 10.710 69.303 163.978 1.00 24.99 C ATOM 381 CD GLU A 60 11.186 69.367 165.411 1.00 37.00 C ATOM 382 OE1 GLU A 60 10.918 68.400 166.156 1.00 25.59 O ATOM 383 OE2 GLU A 60 11.854 70.358 165.783 1.00 40.33 O ATOM 384 H GLU A 60 12.629 69.259 161.478 1.00 0.00 H ATOM 385 N ARG A 61 13.746 66.413 161.587 1.00 19.00 N ATOM 386 CA ARG A 61 14.219 65.176 160.980 1.00 18.14 C ATOM 387 C ARG A 61 15.750 65.149 161.033 1.00 19.46 C ATOM 388 O ARG A 61 16.387 66.193 160.915 1.00 18.04 O ATOM 389 CB ARG A 61 13.740 65.144 159.507 1.00 20.80 C ATOM 390 CG ARG A 61 13.935 63.811 158.801 1.00 19.32 C ATOM 391 CD ARG A 61 13.492 63.905 157.358 1.00 18.96 C ATOM 392 NE ARG A 61 14.152 64.990 156.605 1.00 18.71 N ATOM 393 CZ ARG A 61 13.576 65.710 155.643 1.00 21.71 C ATOM 394 NH1 ARG A 61 14.239 66.697 155.057 1.00 21.35 N ATOM 395 NH2 ARG A 61 12.332 65.454 155.265 1.00 23.17 N ATOM 396 HE ARG A 61 15.140 65.209 156.843 1.00 0.00 H ATOM 397 HH12 ARG A 61 13.784 67.255 154.307 1.00 0.00 H ATOM 398 HH11 ARG A 61 15.214 66.913 155.347 1.00 0.00 H ATOM 399 HH22 ARG A 61 11.890 66.021 154.513 1.00 0.00 H ATOM 400 HH21 ARG A 61 11.798 64.686 155.720 1.00 0.00 H ATOM 401 H ARG A 61 13.960 67.303 161.093 1.00 0.00 H ATOM 402 N TYR A 62 16.339 63.952 161.179 1.00 17.15 N ATOM 403 CA TYR A 62 17.786 63.761 161.203 1.00 16.51 C ATOM 404 C TYR A 62 18.042 62.532 160.326 1.00 17.20 C ATOM 405 O TYR A 62 17.644 61.420 160.705 1.00 17.32 O ATOM 406 CB TYR A 62 18.260 63.522 162.652 1.00 17.78 C ATOM 407 CG TYR A 62 19.759 63.452 162.829 1.00 16.30 C ATOM 408 CD1 TYR A 62 20.505 64.605 163.068 1.00 18.14 C ATOM 409 CD2 TYR A 62 20.422 62.227 162.854 1.00 17.12 C ATOM 410 CE1 TYR A 62 21.878 64.542 163.315 1.00 20.79 C ATOM 411 CE2 TYR A 62 21.799 62.154 163.098 1.00 17.09 C ATOM 412 CZ TYR A 62 22.513 63.310 163.351 1.00 21.33 C ATOM 413 OH TYR A 62 23.869 63.255 163.598 1.00 21.72 O ATOM 414 HH TYR A 62 24.212 64.170 163.757 1.00 0.00 H ATOM 415 H TYR A 62 15.731 63.114 161.281 1.00 0.00 H ATOM 416 N PRO A 63 18.591 62.693 159.109 1.00 13.71 N ATOM 417 CA PRO A 63 19.109 63.934 158.501 1.00 13.55 C ATOM 418 C PRO A 63 18.034 64.975 158.224 1.00 15.89 C ATOM 419 O PRO A 63 16.944 64.644 157.794 1.00 15.19 O ATOM 420 CB PRO A 63 19.740 63.459 157.179 1.00 15.69 C ATOM 421 CG PRO A 63 19.027 62.142 156.856 1.00 18.04 C ATOM 422 CD PRO A 63 18.800 61.520 158.222 1.00 13.47 C ATOM 423 N SER A 64 18.378 66.243 158.413 1.00 14.43 N ATOM 424 CA SER A 64 17.459 67.357 158.193 1.00 13.76 C ATOM 425 C SER A 64 17.268 67.705 156.721 1.00 18.42 C ATOM 426 O SER A 64 16.280 68.362 156.405 1.00 20.58 O ATOM 427 CB SER A 64 17.953 68.599 158.953 1.00 18.38 C ATOM 428 OG SER A 64 19.332 68.827 158.686 1.00 17.88 O ATOM 429 HG SER A 64 19.635 69.629 159.182 1.00 0.00 H ATOM 430 H SER A 64 19.345 66.453 158.732 1.00 0.00 H ATOM 431 N VAL A 65 18.233 67.387 155.852 1.00 13.67 N ATOM 432 CA VAL A 65 18.160 67.739 154.413 1.00 13.38 C ATOM 433 C VAL A 65 18.173 66.465 153.588 1.00 17.80 C ATOM 434 O VAL A 65 19.098 65.638 153.729 1.00 14.93 O ATOM 435 CB VAL A 65 19.279 68.732 153.963 1.00 16.98 C ATOM 436 CG1 VAL A 65 19.304 68.888 152.434 1.00 16.89 C ATOM 437 CG2 VAL A 65 19.102 70.095 154.621 1.00 18.11 C ATOM 438 H VAL A 65 19.068 66.873 156.199 1.00 0.00 H ATOM 439 N ILE A 66 17.175 66.344 152.687 1.00 14.65 N ATOM 440 CA ILE A 66 17.077 65.243 151.728 1.00 13.07 C ATOM 441 C ILE A 66 16.777 65.871 150.383 1.00 17.43 C ATOM 442 O ILE A 66 16.167 66.941 150.311 1.00 17.47 O ATOM 443 CB ILE A 66 15.997 64.194 152.117 1.00 16.96 C ATOM 444 CG1 ILE A 66 14.598 64.854 152.141 1.00 20.56 C ATOM 445 CG2 ILE A 66 16.329 63.528 153.499 1.00 17.07 C ATOM 446 CD1 ILE A 66 13.348 63.853 152.111 1.00 28.69 C ATOM 447 H ILE A 66 16.434 67.074 152.674 1.00 0.00 H ATOM 448 N TRP A 67 17.138 65.172 149.335 1.00 15.86 N ATOM 449 CA TRP A 67 16.922 65.673 147.987 1.00 17.39 C ATOM 450 C TRP A 67 16.041 64.679 147.226 1.00 21.33 C ATOM 451 O TRP A 67 16.105 63.468 147.481 1.00 21.99 O ATOM 452 CB TRP A 67 18.253 65.818 147.276 1.00 17.42 C ATOM 453 CG TRP A 67 19.114 66.904 147.842 1.00 19.60 C ATOM 454 CD1 TRP A 67 19.950 66.811 148.912 1.00 22.71 C ATOM 455 CD2 TRP A 67 19.310 68.200 147.291 1.00 20.71 C ATOM 456 NE1 TRP A 67 20.601 67.990 149.098 1.00 24.07 N ATOM 457 CE2 TRP A 67 20.233 68.870 148.118 1.00 26.12 C ATOM 458 CE3 TRP A 67 18.762 68.882 146.190 1.00 22.05 C ATOM 459 CZ2 TRP A 67 20.654 70.179 147.864 1.00 26.97 C ATOM 460 CZ3 TRP A 67 19.208 70.169 145.913 1.00 26.24 C ATOM 461 CH2 TRP A 67 20.119 70.818 146.763 1.00 27.13 C ATOM 462 HE1 TRP A 67 21.274 68.191 149.865 1.00 0.00 H ATOM 463 H TRP A 67 17.586 64.243 149.470 1.00 0.00 H ATOM 464 N GLU A 68 15.169 65.200 146.355 1.00 16.37 N ATOM 465 CA GLU A 68 14.261 64.341 145.581 1.00 16.40 C ATOM 466 C GLU A 68 14.548 64.552 144.106 1.00 17.42 C ATOM 467 O GLU A 68 14.469 65.708 143.639 1.00 16.15 O ATOM 468 CB GLU A 68 12.799 64.769 145.900 1.00 17.58 C ATOM 469 CG GLU A 68 11.691 64.003 145.148 1.00 22.58 C ATOM 470 CD GLU A 68 11.442 62.554 145.572 1.00 30.28 C ATOM 471 OE1 GLU A 68 10.492 61.918 145.058 1.00 25.33 O ATOM 472 OE2 GLU A 68 12.223 62.041 146.398 1.00 22.02 O ATOM 473 H GLU A 68 15.133 66.231 146.223 1.00 0.00 H ATOM 474 N ALA A 69 14.813 63.461 143.369 1.00 16.21 N ATOM 475 CA ALA A 69 15.022 63.558 141.919 1.00 14.62 C ATOM 476 C ALA A 69 13.670 63.678 141.255 1.00 18.83 C ATOM 477 O ALA A 69 12.703 62.987 141.619 1.00 17.33 O ATOM 478 CB ALA A 69 15.737 62.305 141.386 1.00 15.30 C ATOM 479 H ALA A 69 14.871 62.532 143.833 1.00 0.00 H ATOM 480 N LYS A 70 13.615 64.537 140.234 1.00 15.42 N ATOM 481 CA LYS A 70 12.403 64.702 139.434 1.00 14.89 C ATOM 482 C LYS A 70 12.842 64.518 137.979 1.00 14.75 C ATOM 483 O LYS A 70 13.713 65.266 137.518 1.00 16.80 O ATOM 484 CB LYS A 70 11.871 66.142 139.629 1.00 17.04 C ATOM 485 CG LYS A 70 11.558 66.490 141.099 1.00 25.14 C ATOM 486 CD LYS A 70 10.218 65.914 141.485 1.00 29.90 C ATOM 487 CE LYS A 70 9.781 66.342 142.884 1.00 34.66 C ATOM 488 NZ LYS A 70 8.479 65.702 143.245 1.00 35.69 N ATOM 489 HZ1 LYS A 70 7.751 65.990 142.560 1.00 0.00 H ATOM 490 HZ2 LYS A 70 8.585 64.668 143.225 1.00 0.00 H ATOM 491 HZ3 LYS A 70 8.198 66.005 144.199 1.00 0.00 H ATOM 492 H LYS A 70 14.456 65.103 140.002 1.00 0.00 H ATOM 493 N CYS A 71 12.241 63.573 137.254 1.00 13.66 N ATOM 494 CA CYS A 71 12.663 63.353 135.856 1.00 14.12 C ATOM 495 C CYS A 71 12.360 64.617 135.050 1.00 16.39 C ATOM 496 O CYS A 71 11.277 65.205 135.191 1.00 15.96 O ATOM 497 CB CYS A 71 11.983 62.136 135.229 1.00 14.84 C ATOM 498 SG CYS A 71 12.152 60.617 136.206 1.00 18.41 S ATOM 499 H CYS A 71 11.482 62.996 137.670 1.00 0.00 H ATOM 500 N ARG A 72 13.309 65.026 134.224 1.00 13.83 N ATOM 501 CA ARG A 72 13.140 66.259 133.442 1.00 14.58 C ATOM 502 C ARG A 72 12.078 66.131 132.386 1.00 18.70 C ATOM 503 O ARG A 72 11.323 67.075 132.152 1.00 20.03 O ATOM 504 CB ARG A 72 14.445 66.598 132.705 1.00 19.79 C ATOM 505 CG ARG A 72 15.466 67.162 133.613 1.00 26.86 C ATOM 506 CD ARG A 72 16.458 68.031 132.850 1.00 24.73 C ATOM 507 NE ARG A 72 17.604 68.162 133.724 1.00 24.98 N ATOM 508 CZ ARG A 72 18.858 68.099 133.326 1.00 29.48 C ATOM 509 NH1 ARG A 72 19.145 68.007 132.033 1.00 21.60 N ATOM 510 NH2 ARG A 72 19.840 68.186 134.211 1.00 33.51 N ATOM 511 HE ARG A 72 17.425 68.317 134.737 1.00 0.00 H ATOM 512 HH12 ARG A 72 20.136 67.957 131.723 1.00 0.00 H ATOM 513 HH11 ARG A 72 18.378 67.984 131.331 1.00 0.00 H ATOM 514 HH22 ARG A 72 20.830 68.136 133.896 1.00 0.00 H ATOM 515 HH21 ARG A 72 19.621 68.304 135.221 1.00 0.00 H ATOM 516 H ARG A 72 14.183 64.470 134.127 1.00 0.00 H ATOM 517 N HIS A 73 12.051 64.981 131.709 1.00 15.62 N ATOM 518 CA HIS A 73 11.165 64.796 130.569 1.00 16.22 C ATOM 519 C HIS A 73 10.253 63.585 130.713 1.00 20.85 C ATOM 520 O HIS A 73 10.529 62.690 131.515 1.00 18.80 O ATOM 521 CB HIS A 73 12.015 64.642 129.285 1.00 17.26 C ATOM 522 CG HIS A 73 13.109 65.664 129.159 1.00 19.80 C ATOM 523 ND1 HIS A 73 12.827 67.030 129.006 1.00 22.96 N ATOM 524 CD2 HIS A 73 14.449 65.497 129.221 1.00 21.08 C ATOM 525 CE1 HIS A 73 14.005 67.630 128.951 1.00 22.74 C ATOM 526 NE2 HIS A 73 15.008 66.753 129.070 1.00 22.17 N ATOM 527 H HIS A 73 12.675 64.202 132.002 1.00 0.00 H ATOM 528 N LEU A 74 9.176 63.548 129.867 1.00 17.11 N ATOM 529 CA LEU A 74 8.287 62.387 129.772 1.00 16.98 C ATOM 530 C LEU A 74 9.023 61.283 128.989 1.00 18.89 C ATOM 531 O LEU A 74 8.937 60.113 129.357 1.00 18.03 O ATOM 532 CB LEU A 74 6.971 62.740 129.080 1.00 18.26 C ATOM 533 CG LEU A 74 6.012 63.658 129.859 1.00 24.11 C ATOM 534 CD1 LEU A 74 4.742 63.885 129.082 1.00 24.42 C ATOM 535 CD2 LEU A 74 5.721 63.122 131.266 1.00 26.15 C ATOM 536 H LEU A 74 8.982 64.376 129.269 1.00 0.00 H ATOM 537 N GLY A 75 9.674 61.661 127.883 1.00 16.92 N ATOM 538 CA GLY A 75 10.422 60.709 127.067 1.00 15.91 C ATOM 539 C GLY A 75 11.885 60.677 127.462 1.00 19.32 C ATOM 540 O GLY A 75 12.254 61.126 128.564 1.00 18.68 O ATOM 541 H GLY A 75 9.646 62.660 127.597 1.00 0.00 H ATOM 542 N CYS A 76 12.708 60.034 126.609 1.00 16.57 N ATOM 543 CA CYS A 76 14.156 59.956 126.817 1.00 14.17 C ATOM 544 C CYS A 76 14.881 60.686 125.673 1.00 20.98 C ATOM 545 O CYS A 76 14.383 60.721 124.546 1.00 21.17 O ATOM 546 CB CYS A 76 14.621 58.505 126.918 1.00 14.26 C ATOM 547 SG CYS A 76 13.680 57.539 128.133 1.00 16.88 S ATOM 548 H CYS A 76 12.299 59.575 125.770 1.00 0.00 H ATOM 549 N ILE A 77 16.072 61.199 125.957 1.00 17.43 N ATOM 550 CA ILE A 77 16.868 61.961 124.999 1.00 19.11 C ATOM 551 C ILE A 77 17.525 60.996 123.997 1.00 23.29 C ATOM 552 O ILE A 77 18.224 60.052 124.406 1.00 22.61 O ATOM 553 CB ILE A 77 17.938 62.819 125.774 1.00 22.61 C ATOM 554 CG1 ILE A 77 17.269 63.836 126.752 1.00 23.24 C ATOM 555 CG2 ILE A 77 18.941 63.507 124.783 1.00 25.31 C ATOM 556 CD1 ILE A 77 16.299 64.895 126.108 1.00 30.23 C ATOM 557 H ILE A 77 16.458 61.050 126.911 1.00 0.00 H ATOM 558 N ASN A 78 17.352 61.275 122.695 1.00 21.81 N ATOM 559 CA ASN A 78 17.942 60.448 121.636 1.00 22.55 C ATOM 560 C ASN A 78 19.328 60.962 121.207 1.00 27.88 C ATOM 561 O ASN A 78 19.803 61.962 121.753 1.00 24.60 O ATOM 562 CB ASN A 78 16.972 60.276 120.440 1.00 27.28 C ATOM 563 CG ASN A 78 16.651 61.550 119.685 1.00 33.39 C ATOM 564 OD1 ASN A 78 17.339 62.563 119.783 1.00 27.30 O ATOM 565 ND2 ASN A 78 15.555 61.535 118.941 1.00 30.87 N ATOM 566 HD22 ASN A 78 14.986 60.667 118.871 1.00 0.00 H ATOM 567 HD21 ASN A 78 15.264 62.391 118.427 1.00 0.00 H ATOM 568 H ASN A 78 16.782 62.103 122.429 1.00 0.00 H ATOM 569 N ALA A 79 19.968 60.273 120.232 1.00 30.46 N ATOM 570 CA ALA A 79 21.310 60.640 119.737 1.00 33.96 C ATOM 571 C ALA A 79 21.413 62.075 119.185 1.00 40.17 C ATOM 572 O ALA A 79 22.488 62.667 119.253 1.00 40.65 O ATOM 573 CB ALA A 79 21.785 59.624 118.706 1.00 35.61 C ATOM 574 H ALA A 79 19.493 59.448 119.813 1.00 0.00 H ATOM 575 N ASP A 80 20.281 62.661 118.721 1.00 38.69 N ATOM 576 CA ASP A 80 20.198 64.046 118.207 1.00 39.12 C ATOM 577 C ASP A 80 19.961 65.112 119.287 1.00 43.26 C ATOM 578 O ASP A 80 19.924 66.309 118.982 1.00 45.94 O ATOM 579 CB ASP A 80 19.119 64.149 117.103 1.00 42.09 C ATOM 580 CG ASP A 80 19.323 63.202 115.933 1.00 49.50 C ATOM 581 OD1 ASP A 80 20.485 63.017 115.516 1.00 49.60 O ATOM 582 OD2 ASP A 80 18.319 62.641 115.442 1.00 57.57 O ATOM 583 H ASP A 80 19.408 62.096 118.727 1.00 0.00 H ATOM 584 N GLY A 81 19.788 64.686 120.537 1.00 35.44 N ATOM 585 CA GLY A 81 19.544 65.610 121.640 1.00 33.17 C ATOM 586 C GLY A 81 18.083 65.982 121.819 1.00 33.06 C ATOM 587 O GLY A 81 17.763 66.879 122.596 1.00 35.12 O ATOM 588 H GLY A 81 19.828 63.665 120.733 1.00 0.00 H ATOM 589 N ASN A 82 17.181 65.285 121.127 1.00 27.02 N ATOM 590 CA ASN A 82 15.740 65.554 121.221 1.00 27.72 C ATOM 591 C ASN A 82 15.016 64.527 122.104 1.00 28.46 C ATOM 592 O ASN A 82 15.492 63.404 122.283 1.00 28.47 O ATOM 593 CB ASN A 82 15.119 65.561 119.821 1.00 28.93 C ATOM 594 CG ASN A 82 15.711 66.639 118.946 1.00 40.68 C ATOM 595 OD1 ASN A 82 15.988 67.756 119.402 1.00 38.00 O ATOM 596 ND2 ASN A 82 16.004 66.286 117.713 1.00 35.52 N ATOM 597 HD22 ASN A 82 15.753 65.337 117.370 1.00 0.00 H ATOM 598 HD21 ASN A 82 16.487 66.956 117.081 1.00 0.00 H ATOM 599 H ASN A 82 17.509 64.524 120.499 1.00 0.00 H ATOM 600 N VAL A 83 13.825 64.906 122.597 1.00 25.18 N ATOM 601 CA VAL A 83 13.020 63.978 123.401 1.00 22.54 C ATOM 602 C VAL A 83 12.328 62.967 122.473 1.00 25.85 C ATOM 603 O VAL A 83 11.619 63.356 121.547 1.00 26.51 O ATOM 604 CB VAL A 83 11.990 64.698 124.293 1.00 26.16 C ATOM 605 CG1 VAL A 83 11.221 63.685 125.140 1.00 25.11 C ATOM 606 CG2 VAL A 83 12.655 65.739 125.190 1.00 26.95 C ATOM 607 H VAL A 83 13.470 65.865 122.407 1.00 0.00 H ATOM 608 N ASP A 84 12.545 61.679 122.734 1.00 21.03 N ATOM 609 CA ASP A 84 11.914 60.553 122.063 1.00 21.42 C ATOM 610 C ASP A 84 10.746 60.107 122.960 1.00 22.17 C ATOM 611 O ASP A 84 10.967 59.549 124.030 1.00 20.30 O ATOM 612 CB ASP A 84 12.928 59.406 121.854 1.00 23.02 C ATOM 613 CG ASP A 84 12.336 58.117 121.285 1.00 29.46 C ATOM 614 OD1 ASP A 84 11.134 58.115 120.944 1.00 27.20 O ATOM 615 OD2 ASP A 84 13.075 57.075 121.251 1.00 32.71 O ATOM 616 H ASP A 84 13.228 61.458 123.486 1.00 0.00 H ATOM 617 N TYR A 85 9.498 60.359 122.533 1.00 21.09 N ATOM 618 CA TYR A 85 8.342 60.010 123.361 1.00 20.93 C ATOM 619 C TYR A 85 7.911 58.547 123.272 1.00 25.39 C ATOM 620 O TYR A 85 6.977 58.158 123.993 1.00 25.06 O ATOM 621 CB TYR A 85 7.159 60.954 123.078 1.00 23.18 C ATOM 622 CG TYR A 85 7.482 62.389 123.436 1.00 24.99 C ATOM 623 CD1 TYR A 85 7.385 62.837 124.753 1.00 25.10 C ATOM 624 CD2 TYR A 85 7.864 63.307 122.456 1.00 26.08 C ATOM 625 CE1 TYR A 85 7.693 64.153 125.094 1.00 21.80 C ATOM 626 CE2 TYR A 85 8.175 64.627 122.785 1.00 26.92 C ATOM 627 CZ TYR A 85 8.086 65.043 124.104 1.00 27.48 C ATOM 628 OH TYR A 85 8.403 66.343 124.398 1.00 28.11 O ATOM 629 HH TYR A 85 9.342 66.520 124.138 1.00 0.00 H ATOM 630 H TYR A 85 9.351 60.806 121.606 1.00 0.00 H ATOM 631 N HIS A 86 8.622 57.741 122.465 1.00 24.87 N ATOM 632 CA HIS A 86 8.390 56.295 122.353 1.00 28.04 C ATOM 633 C HIS A 86 9.088 55.549 123.492 1.00 25.25 C ATOM 634 O HIS A 86 8.972 54.340 123.587 1.00 26.15 O ATOM 635 CB HIS A 86 8.836 55.755 120.984 1.00 31.95 C ATOM 636 CG HIS A 86 8.032 56.294 119.831 1.00 39.09 C ATOM 637 ND1 HIS A 86 6.765 56.862 120.013 1.00 43.19 N ATOM 638 CD2 HIS A 86 8.298 56.257 118.505 1.00 43.07 C ATOM 639 CE1 HIS A 86 6.339 57.191 118.803 1.00 43.76 C ATOM 640 NE2 HIS A 86 7.228 56.853 117.865 1.00 44.26 N ATOM 641 H HIS A 86 9.377 58.164 121.889 1.00 0.00 H ATOM 642 N MET A 87 9.789 56.275 124.367 1.00 17.85 N ATOM 643 CA MET A 87 10.446 55.713 125.547 1.00 16.36 C ATOM 644 C MET A 87 10.066 56.603 126.718 1.00 18.48 C ATOM 645 O MET A 87 9.627 57.744 126.491 1.00 18.38 O ATOM 646 CB MET A 87 11.974 55.677 125.379 1.00 17.73 C ATOM 647 CG MET A 87 12.450 54.821 124.196 1.00 20.88 C ATOM 648 SD MET A 87 12.084 53.082 124.486 1.00 23.42 S ATOM 649 CE MET A 87 13.330 52.612 125.653 1.00 21.27 C ATOM 650 H MET A 87 9.872 57.298 124.200 1.00 0.00 H ATOM 651 N ASN A 88 10.149 56.077 127.942 1.00 15.92 N ATOM 652 CA ASN A 88 9.727 56.854 129.108 1.00 16.27 C ATOM 653 C ASN A 88 10.837 57.028 130.128 1.00 16.71 C ATOM 654 O ASN A 88 11.541 56.065 130.451 1.00 15.51 O ATOM 655 CB ASN A 88 8.547 56.142 129.820 1.00 20.21 C ATOM 656 CG ASN A 88 7.219 56.057 129.086 1.00 32.29 C ATOM 657 OD1 ASN A 88 6.350 55.266 129.437 1.00 34.43 O ATOM 658 ND2 ASN A 88 7.028 56.831 128.073 1.00 23.41 N ATOM 659 HD22 ASN A 88 7.770 57.499 127.782 1.00 0.00 H ATOM 660 HD21 ASN A 88 6.132 56.787 127.547 1.00 0.00 H ATOM 661 H ASN A 88 10.515 55.112 128.067 1.00 0.00 H ATOM 662 N SER A 89 10.966 58.246 130.668 1.00 15.62 N ATOM 663 CA SER A 89 11.858 58.491 131.816 1.00 13.79 C ATOM 664 C SER A 89 10.995 58.164 133.032 1.00 17.70 C ATOM 665 O SER A 89 9.875 58.709 133.192 1.00 15.75 O ATOM 666 CB SER A 89 12.264 59.961 131.913 1.00 12.73 C ATOM 667 OG SER A 89 13.220 60.353 130.944 1.00 17.35 O ATOM 668 HG SER A 89 12.848 60.209 130.038 1.00 0.00 H ATOM 669 H SER A 89 10.424 59.038 130.268 1.00 0.00 H ATOM 670 N VAL A 90 11.519 57.326 133.926 1.00 14.29 N ATOM 671 CA VAL A 90 10.835 56.966 135.179 1.00 13.92 C ATOM 672 C VAL A 90 11.806 57.096 136.361 1.00 16.17 C ATOM 673 O VAL A 90 13.012 56.794 136.224 1.00 14.00 O ATOM 674 CB VAL A 90 10.176 55.552 135.126 1.00 16.29 C ATOM 675 CG1 VAL A 90 9.048 55.488 134.072 1.00 17.41 C ATOM 676 CG2 VAL A 90 11.236 54.459 134.860 1.00 14.68 C ATOM 677 H VAL A 90 12.451 56.908 133.730 1.00 0.00 H ATOM 678 N PRO A 91 11.290 57.496 137.544 1.00 13.85 N ATOM 679 CA PRO A 91 12.165 57.636 138.704 1.00 13.12 C ATOM 680 C PRO A 91 12.431 56.287 139.370 1.00 17.86 C ATOM 681 O PRO A 91 11.532 55.458 139.441 1.00 20.15 O ATOM 682 CB PRO A 91 11.355 58.546 139.663 1.00 15.71 C ATOM 683 CG PRO A 91 9.908 58.242 139.322 1.00 19.83 C ATOM 684 CD PRO A 91 9.897 57.941 137.826 1.00 15.78 C ATOM 685 N ILE A 92 13.648 56.087 139.834 1.00 14.95 N ATOM 686 CA ILE A 92 14.059 54.885 140.596 1.00 16.28 C ATOM 687 C ILE A 92 13.896 55.334 142.076 1.00 19.89 C ATOM 688 O ILE A 92 14.520 56.319 142.498 1.00 17.77 O ATOM 689 CB ILE A 92 15.511 54.538 140.259 1.00 21.48 C ATOM 690 CG1 ILE A 92 15.625 54.007 138.806 1.00 24.53 C ATOM 691 CG2 ILE A 92 16.103 53.532 141.263 1.00 26.15 C ATOM 692 CD1 ILE A 92 17.009 53.639 138.435 1.00 33.31 C ATOM 693 H ILE A 92 14.365 56.819 139.654 1.00 0.00 H ATOM 694 N GLN A 93 13.066 54.595 142.833 1.00 16.13 N ATOM 695 CA GLN A 93 12.736 54.975 144.210 1.00 15.17 C ATOM 696 C GLN A 93 13.124 53.922 145.200 1.00 18.75 C ATOM 697 O GLN A 93 13.142 52.721 144.879 1.00 19.12 O ATOM 698 CB GLN A 93 11.241 55.262 144.331 1.00 16.95 C ATOM 699 CG GLN A 93 10.747 56.399 143.431 1.00 23.41 C ATOM 700 CD GLN A 93 9.269 56.608 143.547 1.00 33.76 C ATOM 701 OE1 GLN A 93 8.475 55.730 143.234 1.00 28.67 O ATOM 702 NE2 GLN A 93 8.862 57.768 144.029 1.00 30.00 N ATOM 703 HE22 GLN A 93 9.558 58.497 144.287 1.00 0.00 H ATOM 704 HE21 GLN A 93 7.846 57.953 144.151 1.00 0.00 H ATOM 705 H GLN A 93 12.647 53.732 142.431 1.00 0.00 H ATOM 706 N GLN A 94 13.413 54.367 146.422 1.00 15.80 N ATOM 707 CA GLN A 94 13.619 53.429 147.512 1.00 17.00 C ATOM 708 C GLN A 94 13.203 54.076 148.802 1.00 18.19 C ATOM 709 O GLN A 94 13.219 55.291 148.903 1.00 18.27 O ATOM 710 CB GLN A 94 15.046 52.877 147.577 1.00 18.38 C ATOM 711 CG GLN A 94 16.118 53.847 148.074 1.00 23.22 C ATOM 712 CD GLN A 94 17.414 53.102 148.400 1.00 31.41 C ATOM 713 OE1 GLN A 94 18.413 53.716 148.693 1.00 34.65 O ATOM 714 NE2 GLN A 94 17.455 51.800 148.266 1.00 33.47 N ATOM 715 HE22 GLN A 94 16.593 51.276 148.014 1.00 0.00 H ATOM 716 HE21 GLN A 94 18.350 51.290 148.412 1.00 0.00 H ATOM 717 H GLN A 94 13.491 55.389 146.596 1.00 0.00 H ATOM 718 N GLU A 95 12.877 53.256 149.792 1.00 13.52 N ATOM 719 CA GLU A 95 12.589 53.796 151.108 1.00 13.09 C ATOM 720 C GLU A 95 13.890 53.899 151.878 1.00 17.46 C ATOM 721 O GLU A 95 14.745 52.992 151.785 1.00 15.38 O ATOM 722 CB GLU A 95 11.605 52.893 151.856 1.00 15.27 C ATOM 723 CG GLU A 95 10.207 52.958 151.266 1.00 18.43 C ATOM 724 CD GLU A 95 9.151 52.095 151.932 1.00 36.78 C ATOM 725 OE1 GLU A 95 9.520 51.131 152.641 1.00 20.63 O ATOM 726 OE2 GLU A 95 7.947 52.384 151.741 1.00 34.09 O ATOM 727 H GLU A 95 12.828 52.230 149.626 1.00 0.00 H ATOM 728 N ILE A 96 14.077 55.017 152.573 1.00 14.10 N ATOM 729 CA ILE A 96 15.269 55.208 153.395 1.00 13.26 C ATOM 730 C ILE A 96 14.844 55.492 154.848 1.00 13.97 C ATOM 731 O ILE A 96 13.753 56.009 155.092 1.00 15.53 O ATOM 732 CB ILE A 96 16.196 56.319 152.869 1.00 15.64 C ATOM 733 CG1 ILE A 96 15.516 57.706 152.989 1.00 15.92 C ATOM 734 CG2 ILE A 96 16.676 55.983 151.417 1.00 17.54 C ATOM 735 CD1 ILE A 96 16.571 58.899 152.809 1.00 19.02 C ATOM 736 H ILE A 96 13.361 55.770 152.530 1.00 0.00 H ATOM 737 N LEU A 97 15.742 55.209 155.769 1.00 12.03 N ATOM 738 CA LEU A 97 15.480 55.439 157.186 1.00 10.56 C ATOM 739 C LEU A 97 16.020 56.793 157.623 1.00 14.35 C ATOM 740 O LEU A 97 17.125 57.238 157.228 1.00 13.58 O ATOM 741 CB LEU A 97 16.167 54.338 158.013 1.00 11.18 C ATOM 742 CG LEU A 97 15.570 52.936 157.900 1.00 14.59 C ATOM 743 CD1 LEU A 97 16.362 51.977 158.731 1.00 15.76 C ATOM 744 CD2 LEU A 97 14.089 52.914 158.394 1.00 13.21 C ATOM 745 H LEU A 97 16.659 54.812 155.480 1.00 0.00 H ATOM 746 N VAL A 98 15.210 57.480 158.441 1.00 13.05 N ATOM 747 CA VAL A 98 15.589 58.751 159.074 1.00 11.75 C ATOM 748 C VAL A 98 15.086 58.703 160.521 1.00 15.37 C ATOM 749 O VAL A 98 14.292 57.833 160.879 1.00 15.44 O ATOM 750 CB VAL A 98 15.045 59.999 158.321 1.00 14.97 C ATOM 751 CG1 VAL A 98 15.483 60.005 156.840 1.00 14.44 C ATOM 752 CG2 VAL A 98 13.517 60.089 158.438 1.00 15.34 C ATOM 753 H VAL A 98 14.265 57.094 158.638 1.00 0.00 H ATOM 754 N LEU A 99 15.489 59.690 161.319 1.00 13.33 N ATOM 755 CA LEU A 99 15.046 59.812 162.708 1.00 14.22 C ATOM 756 C LEU A 99 14.187 61.063 162.834 1.00 18.70 C ATOM 757 O LEU A 99 14.577 62.128 162.326 1.00 19.25 O ATOM 758 CB LEU A 99 16.241 59.906 163.649 1.00 15.59 C ATOM 759 CG LEU A 99 17.232 58.734 163.601 1.00 17.93 C ATOM 760 CD1 LEU A 99 18.338 58.959 164.622 1.00 20.06 C ATOM 761 CD2 LEU A 99 16.508 57.398 163.967 1.00 18.80 C ATOM 762 H LEU A 99 16.145 60.403 160.940 1.00 0.00 H ATOM 763 N ARG A 100 13.004 60.921 163.466 1.00 15.85 N ATOM 764 CA ARG A 100 12.051 62.023 163.681 1.00 16.34 C ATOM 765 C ARG A 100 12.126 62.385 165.178 1.00 18.73 C ATOM 766 O ARG A 100 11.940 61.510 166.005 1.00 17.30 O ATOM 767 CB ARG A 100 10.626 61.506 163.359 1.00 21.89 C ATOM 768 CG ARG A 100 9.491 62.475 163.685 1.00 28.40 C ATOM 769 CD ARG A 100 9.465 63.754 162.855 1.00 20.82 C ATOM 770 NE ARG A 100 9.550 63.480 161.418 1.00 20.09 N ATOM 771 CZ ARG A 100 9.655 64.431 160.495 1.00 27.86 C ATOM 772 NH1 ARG A 100 9.626 65.710 160.847 1.00 23.92 N ATOM 773 NH2 ARG A 100 9.789 64.108 159.210 1.00 26.24 N ATOM 774 HE ARG A 100 9.527 62.489 161.103 1.00 0.00 H ATOM 775 HH12 ARG A 100 9.708 66.451 160.122 1.00 0.00 H ATOM 776 HH11 ARG A 100 9.521 65.972 161.848 1.00 0.00 H ATOM 777 HH22 ARG A 100 9.871 64.856 158.492 1.00 0.00 H ATOM 778 HH21 ARG A 100 9.812 63.108 158.925 1.00 0.00 H ATOM 779 H ARG A 100 12.750 59.978 163.823 1.00 0.00 H ATOM 780 N ARG A 101 12.401 63.648 165.518 1.00 18.33 N ATOM 781 CA ARG A 101 12.482 64.048 166.928 1.00 18.53 C ATOM 782 C ARG A 101 11.116 63.821 167.584 1.00 23.62 C ATOM 783 O ARG A 101 10.091 64.204 167.015 1.00 23.51 O ATOM 784 CB ARG A 101 12.893 65.523 167.056 1.00 21.93 C ATOM 785 CG ARG A 101 14.250 65.795 166.447 1.00 20.73 C ATOM 786 CD ARG A 101 14.680 67.256 166.615 1.00 22.06 C ATOM 787 NE ARG A 101 15.895 67.478 165.833 1.00 21.07 N ATOM 788 CZ ARG A 101 17.119 67.116 166.207 1.00 28.35 C ATOM 789 NH1 ARG A 101 17.328 66.583 167.411 1.00 24.16 N ATOM 790 NH2 ARG A 101 18.151 67.317 165.396 1.00 22.61 N ATOM 791 HE ARG A 101 15.795 67.955 164.914 1.00 0.00 H ATOM 792 HH12 ARG A 101 18.288 66.303 167.696 1.00 0.00 H ATOM 793 HH11 ARG A 101 16.531 66.448 168.065 1.00 0.00 H ATOM 794 HH22 ARG A 101 19.107 67.033 165.691 1.00 0.00 H ATOM 795 HH21 ARG A 101 18.003 67.758 164.466 1.00 0.00 H ATOM 796 H ARG A 101 12.560 64.357 164.774 1.00 0.00 H ATOM 797 N GLU A 102 11.106 63.122 168.725 1.00 22.14 N ATOM 798 CA GLU A 102 9.884 62.798 169.455 1.00 24.49 C ATOM 799 C GLU A 102 10.208 62.718 170.956 1.00 27.28 C ATOM 800 O GLU A 102 10.959 61.845 171.345 1.00 25.75 O ATOM 801 CB GLU A 102 9.252 61.487 168.939 1.00 25.42 C ATOM 802 CG GLU A 102 7.938 61.141 169.630 1.00 31.34 C ATOM 803 CD GLU A 102 7.248 59.878 169.142 1.00 43.68 C ATOM 804 OE1 GLU A 102 7.126 59.708 167.912 1.00 34.87 O ATOM 805 OE2 GLU A 102 6.795 59.076 169.987 1.00 49.99 O ATOM 806 H GLU A 102 12.014 62.793 169.111 1.00 0.00 H ATOM 807 N PRO A 103 9.695 63.622 171.804 1.00 26.06 N ATOM 808 CA PRO A 103 8.780 64.739 171.512 1.00 26.51 C ATOM 809 C PRO A 103 9.397 65.750 170.541 1.00 30.18 C ATOM 810 O PRO A 103 10.627 65.755 170.358 1.00 26.78 O ATOM 811 CB PRO A 103 8.582 65.402 172.899 1.00 29.07 C ATOM 812 CG PRO A 103 8.902 64.348 173.884 1.00 33.76 C ATOM 813 CD PRO A 103 10.000 63.546 173.252 1.00 28.12 C ATOM 814 N PRO A 104 8.579 66.631 169.925 1.00 29.99 N ATOM 815 CA PRO A 104 9.151 67.639 169.020 1.00 29.83 C ATOM 816 C PRO A 104 10.246 68.449 169.699 1.00 28.39 C ATOM 817 O PRO A 104 10.177 68.710 170.903 1.00 27.84 O ATOM 818 CB PRO A 104 7.941 68.518 168.652 1.00 33.72 C ATOM 819 CG PRO A 104 6.769 67.612 168.807 1.00 38.66 C ATOM 820 CD PRO A 104 7.107 66.770 170.012 1.00 33.86 C ATOM 821 N HIS A 105 11.293 68.788 168.923 1.00 25.61 N ATOM 822 CA HIS A 105 12.480 69.565 169.295 1.00 27.79 C ATOM 823 C HIS A 105 13.433 68.803 170.224 1.00 29.52 C ATOM 824 O HIS A 105 14.434 69.372 170.665 1.00 28.82 O ATOM 825 CB HIS A 105 12.125 70.967 169.888 1.00 31.45 C ATOM 826 CG HIS A 105 10.926 71.626 169.271 1.00 37.09 C ATOM 827 ND1 HIS A 105 10.886 71.952 167.918 1.00 39.76 N ATOM 828 CD2 HIS A 105 9.761 72.011 169.846 1.00 40.39 C ATOM 829 CE1 HIS A 105 9.708 72.533 167.723 1.00 39.90 C ATOM 830 NE2 HIS A 105 8.993 72.582 168.850 1.00 40.80 N ATOM 831 H HIS A 105 11.255 68.458 167.938 1.00 0.00 H ATOM 832 N SER A 106 13.151 67.518 170.517 1.00 25.85 N ATOM 833 CA SER A 106 14.042 66.771 171.417 1.00 23.61 C ATOM 834 C SER A 106 15.437 66.592 170.837 1.00 24.53 C ATOM 835 O SER A 106 15.570 66.170 169.678 1.00 22.37 O ATOM 836 CB SER A 106 13.467 65.405 171.797 1.00 24.04 C ATOM 837 OG SER A 106 14.380 64.741 172.658 1.00 24.06 O ATOM 838 HG SER A 106 14.517 65.284 173.474 1.00 0.00 H ATOM 839 H SER A 106 12.311 67.059 170.110 1.00 0.00 H ATOM 840 N PRO A 107 16.482 66.867 171.626 1.00 22.64 N ATOM 841 CA PRO A 107 17.842 66.646 171.118 1.00 22.50 C ATOM 842 C PRO A 107 18.316 65.196 171.273 1.00 25.60 C ATOM 843 O PRO A 107 19.381 64.844 170.763 1.00 24.78 O ATOM 844 CB PRO A 107 18.690 67.594 171.971 1.00 24.53 C ATOM 845 CG PRO A 107 17.945 67.725 173.270 1.00 31.28 C ATOM 846 CD PRO A 107 16.492 67.427 173.003 1.00 26.87 C ATOM 847 N ASN A 108 17.569 64.358 172.005 1.00 21.39 N ATOM 848 CA ASN A 108 18.093 63.029 172.318 1.00 21.04 C ATOM 849 C ASN A 108 17.069 61.909 172.309 1.00 22.02 C ATOM 850 O ASN A 108 17.338 60.877 172.915 1.00 20.72 O ATOM 851 CB ASN A 108 18.744 63.108 173.728 1.00 23.75 C ATOM 852 CG ASN A 108 17.733 63.385 174.819 1.00 26.54 C ATOM 853 OD1 ASN A 108 16.531 63.579 174.553 1.00 22.05 O ATOM 854 ND2 ASN A 108 18.150 63.291 176.090 1.00 24.25 N ATOM 855 HD22 ASN A 108 19.156 63.129 176.296 1.00 0.00 H ATOM 856 HD21 ASN A 108 17.467 63.380 176.869 1.00 0.00 H ATOM 857 H ASN A 108 16.630 64.649 172.346 1.00 0.00 H ATOM 858 N SER A 109 15.892 62.134 171.694 1.00 20.42 N ATOM 859 CA SER A 109 14.789 61.165 171.705 1.00 20.75 C ATOM 860 C SER A 109 14.095 61.238 170.333 1.00 21.76 C ATOM 861 O SER A 109 13.689 62.325 169.885 1.00 20.06 O ATOM 862 CB SER A 109 13.816 61.525 172.834 1.00 24.62 C ATOM 863 OG SER A 109 12.741 60.600 172.843 1.00 37.63 O ATOM 864 HG SER A 109 12.268 60.637 171.974 1.00 0.00 H ATOM 865 H SER A 109 15.759 63.033 171.189 1.00 0.00 H ATOM 866 N PHE A 110 14.002 60.091 169.647 1.00 18.04 N ATOM 867 CA PHE A 110 13.487 60.041 168.275 1.00 16.45 C ATOM 868 C PHE A 110 12.613 58.819 168.066 1.00 20.15 C ATOM 869 O PHE A 110 12.631 57.873 168.869 1.00 20.89 O ATOM 870 CB PHE A 110 14.675 59.903 167.267 1.00 16.93 C ATOM 871 CG PHE A 110 15.744 60.960 167.353 1.00 17.42 C ATOM 872 CD1 PHE A 110 16.774 60.861 168.294 1.00 20.55 C ATOM 873 CD2 PHE A 110 15.714 62.068 166.508 1.00 17.35 C ATOM 874 CE1 PHE A 110 17.755 61.868 168.396 1.00 22.18 C ATOM 875 CE2 PHE A 110 16.706 63.062 166.595 1.00 20.26 C ATOM 876 CZ PHE A 110 17.714 62.961 167.532 1.00 20.01 C ATOM 877 H PHE A 110 14.305 59.207 170.103 1.00 0.00 H ATOM 878 N ARG A 111 11.932 58.813 166.941 1.00 17.79 N ATOM 879 CA ARG A 111 11.211 57.664 166.431 1.00 18.02 C ATOM 880 C ARG A 111 11.808 57.372 165.051 1.00 18.46 C ATOM 881 O ARG A 111 12.049 58.285 164.267 1.00 18.02 O ATOM 882 CB ARG A 111 9.693 57.908 166.317 1.00 18.96 C ATOM 883 CG ARG A 111 8.950 56.617 165.828 1.00 23.03 C ATOM 884 CD ARG A 111 7.454 56.790 165.744 1.00 30.52 C ATOM 885 NE ARG A 111 6.873 57.095 167.054 1.00 28.49 N ATOM 886 CZ ARG A 111 6.443 56.184 167.917 1.00 39.20 C ATOM 887 NH1 ARG A 111 6.530 54.892 167.627 1.00 29.74 N ATOM 888 NH2 ARG A 111 5.920 56.557 169.077 1.00 30.05 N ATOM 889 HE ARG A 111 6.792 58.095 167.326 1.00 0.00 H ATOM 890 HH12 ARG A 111 6.191 54.182 168.308 1.00 0.00 H ATOM 891 HH11 ARG A 111 6.937 54.589 166.719 1.00 0.00 H ATOM 892 HH22 ARG A 111 5.584 55.839 169.751 1.00 0.00 H ATOM 893 HH21 ARG A 111 5.846 57.567 169.313 1.00 0.00 H ATOM 894 H ARG A 111 11.909 59.689 166.381 1.00 0.00 H ATOM 895 N LEU A 112 12.005 56.094 164.754 1.00 14.77 N ATOM 896 CA LEU A 112 12.504 55.666 163.461 1.00 14.56 C ATOM 897 C LEU A 112 11.401 55.929 162.442 1.00 18.23 C ATOM 898 O LEU A 112 10.224 55.686 162.733 1.00 18.86 O ATOM 899 CB LEU A 112 12.856 54.162 163.531 1.00 15.14 C ATOM 900 CG LEU A 112 13.627 53.609 162.327 1.00 18.64 C ATOM 901 CD1 LEU A 112 14.962 54.380 162.113 1.00 17.48 C ATOM 902 CD2 LEU A 112 13.906 52.087 162.512 1.00 19.82 C ATOM 903 H LEU A 112 11.794 55.374 165.474 1.00 0.00 H ATOM 904 N GLU A 113 11.774 56.425 161.267 1.00 14.32 N ATOM 905 CA GLU A 113 10.812 56.791 160.231 1.00 15.34 C ATOM 906 C GLU A 113 11.340 56.324 158.884 1.00 17.32 C ATOM 907 O GLU A 113 12.561 56.276 158.670 1.00 16.56 O ATOM 908 CB GLU A 113 10.656 58.328 160.228 1.00 17.56 C ATOM 909 CG GLU A 113 9.695 58.945 159.225 1.00 27.09 C ATOM 910 CD GLU A 113 9.470 60.429 159.506 1.00 33.16 C ATOM 911 OE1 GLU A 113 8.903 60.745 160.575 1.00 28.91 O ATOM 912 OE2 GLU A 113 9.911 61.274 158.692 1.00 33.44 O ATOM 913 H GLU A 113 12.788 56.557 161.078 1.00 0.00 H ATOM 914 N LYS A 114 10.425 56.023 157.971 1.00 14.86 N ATOM 915 CA LYS A 114 10.838 55.656 156.604 1.00 15.18 C ATOM 916 C LYS A 114 10.243 56.644 155.635 1.00 18.78 C ATOM 917 O LYS A 114 9.095 57.089 155.832 1.00 19.64 O ATOM 918 CB LYS A 114 10.535 54.206 156.246 1.00 17.17 C ATOM 919 CG LYS A 114 9.055 53.843 156.232 1.00 20.14 C ATOM 920 CD LYS A 114 8.814 52.398 155.811 1.00 27.63 C ATOM 921 CE LYS A 114 7.357 52.212 155.490 1.00 33.44 C ATOM 922 NZ LYS A 114 6.956 50.794 155.661 1.00 50.75 N ATOM 923 HZ1 LYS A 114 7.519 50.196 155.023 1.00 0.00 H ATOM 924 HZ2 LYS A 114 7.122 50.504 156.646 1.00 0.00 H ATOM 925 HZ3 LYS A 114 5.946 50.691 155.434 1.00 0.00 H ATOM 926 H LYS A 114 9.416 56.046 158.220 1.00 0.00 H ATOM 927 N ILE A 115 11.026 57.008 154.612 1.00 16.20 N ATOM 928 CA ILE A 115 10.630 57.959 153.571 1.00 17.12 C ATOM 929 C ILE A 115 10.902 57.343 152.216 1.00 18.08 C ATOM 930 O ILE A 115 11.969 56.750 152.014 1.00 18.33 O ATOM 931 CB ILE A 115 11.416 59.290 153.739 1.00 20.25 C ATOM 932 CG1 ILE A 115 11.173 59.900 155.143 1.00 21.83 C ATOM 933 CG2 ILE A 115 11.069 60.301 152.616 1.00 23.30 C ATOM 934 CD1 ILE A 115 11.935 61.178 155.389 1.00 31.90 C ATOM 935 H ILE A 115 11.976 56.589 154.553 1.00 0.00 H ATOM 936 N LEU A 116 9.983 57.538 151.273 1.00 16.53 N ATOM 937 CA LEU A 116 10.162 57.059 149.892 1.00 16.29 C ATOM 938 C LEU A 116 10.804 58.206 149.139 1.00 19.26 C ATOM 939 O LEU A 116 10.237 59.324 149.099 1.00 20.27 O ATOM 940 CB LEU A 116 8.807 56.679 149.273 1.00 18.61 C ATOM 941 CG LEU A 116 8.844 56.161 147.832 1.00 22.82 C ATOM 942 CD1 LEU A 116 9.520 54.791 147.735 1.00 21.68 C ATOM 943 CD2 LEU A 116 7.421 56.085 147.269 1.00 24.76 C ATOM 944 H LEU A 116 9.109 58.046 151.520 1.00 0.00 H ATOM 945 N VAL A 117 12.012 57.961 148.631 1.00 14.67 N ATOM 946 CA VAL A 117 12.827 58.963 147.928 1.00 15.69 C ATOM 947 C VAL A 117 13.088 58.517 146.487 1.00 19.33 C ATOM 948 O VAL A 117 13.287 57.316 146.249 1.00 19.88 O ATOM 949 CB VAL A 117 14.162 59.291 148.656 1.00 19.41 C ATOM 950 CG1 VAL A 117 13.935 59.765 150.098 1.00 19.38 C ATOM 951 CG2 VAL A 117 15.155 58.135 148.644 1.00 20.01 C ATOM 952 H VAL A 117 12.402 57.003 148.738 1.00 0.00 H ATOM 953 N SER A 118 13.148 59.488 145.560 1.00 15.39 N ATOM 954 CA SER A 118 13.517 59.214 144.156 1.00 15.09 C ATOM 955 C SER A 118 14.980 59.610 144.071 1.00 16.38 C ATOM 956 O SER A 118 15.351 60.755 144.369 1.00 15.43 O ATOM 957 CB SER A 118 12.680 60.063 143.194 1.00 17.85 C ATOM 958 OG SER A 118 11.304 59.728 143.261 1.00 24.37 O ATOM 959 HG SER A 118 10.796 60.295 142.628 1.00 0.00 H ATOM 960 H SER A 118 12.927 60.465 145.840 1.00 0.00 H ATOM 961 N VAL A 119 15.800 58.652 143.664 1.00 12.15 N ATOM 962 CA VAL A 119 17.246 58.768 143.620 1.00 10.27 C ATOM 963 C VAL A 119 17.796 59.235 142.255 1.00 15.71 C ATOM 964 O VAL A 119 18.909 59.745 142.159 1.00 15.89 O ATOM 965 CB VAL A 119 17.868 57.418 144.075 1.00 11.35 C ATOM 966 CG1 VAL A 119 19.297 57.636 144.530 1.00 10.72 C ATOM 967 CG2 VAL A 119 17.024 56.737 145.190 1.00 10.22 C ATOM 968 H VAL A 119 15.378 57.754 143.354 1.00 0.00 H ATOM 969 N GLY A 120 17.044 58.971 141.204 1.00 14.70 N ATOM 970 CA GLY A 120 17.427 59.339 139.852 1.00 14.92 C ATOM 971 C GLY A 120 16.412 58.753 138.921 1.00 15.91 C ATOM 972 O GLY A 120 15.424 58.194 139.375 1.00 17.66 O ATOM 973 H GLY A 120 16.139 58.479 141.349 1.00 0.00 H ATOM 974 N CYS A 121 16.640 58.879 137.629 1.00 12.66 N ATOM 975 CA CYS A 121 15.711 58.339 136.654 1.00 12.24 C ATOM 976 C CYS A 121 16.411 57.386 135.709 1.00 14.08 C ATOM 977 O CYS A 121 17.627 57.480 135.501 1.00 14.00 O ATOM 978 CB CYS A 121 15.016 59.455 135.891 1.00 13.23 C ATOM 979 SG CYS A 121 14.083 60.564 136.974 1.00 16.41 S ATOM 980 H CYS A 121 17.496 59.372 137.304 1.00 0.00 H ATOM 981 N THR A 122 15.631 56.484 135.151 1.00 11.32 N ATOM 982 CA THR A 122 16.067 55.537 134.135 1.00 11.41 C ATOM 983 C THR A 122 15.104 55.618 132.928 1.00 14.54 C ATOM 984 O THR A 122 14.036 56.255 133.002 1.00 14.12 O ATOM 985 CB THR A 122 16.208 54.140 134.740 1.00 10.89 C ATOM 986 OG1 THR A 122 17.021 53.316 133.869 1.00 11.77 O ATOM 987 CG2 THR A 122 14.797 53.448 134.958 1.00 13.76 C ATOM 988 HG1 THR A 122 17.111 52.412 134.262 1.00 0.00 H ATOM 989 H THR A 122 14.638 56.445 135.456 1.00 0.00 H ATOM 990 N CYS A 123 15.525 55.015 131.802 1.00 11.52 N ATOM 991 CA CYS A 123 14.706 55.088 130.598 1.00 13.09 C ATOM 992 C CYS A 123 14.155 53.706 130.337 1.00 15.97 C ATOM 993 O CYS A 123 14.926 52.747 130.263 1.00 17.24 O ATOM 994 CB CYS A 123 15.518 55.593 129.422 1.00 13.83 C ATOM 995 SG CYS A 123 14.568 55.696 127.887 1.00 17.25 S ATOM 996 H CYS A 123 16.429 54.500 131.790 1.00 0.00 H ATOM 997 N VAL A 124 12.832 53.589 130.245 1.00 13.48 N ATOM 998 CA VAL A 124 12.187 52.277 130.036 1.00 15.81 C ATOM 999 C VAL A 124 11.345 52.202 128.766 1.00 19.75 C ATOM 1000 O VAL A 124 10.795 53.227 128.285 1.00 18.34 O ATOM 1001 CB VAL A 124 11.312 51.859 131.275 1.00 19.07 C ATOM 1002 CG1 VAL A 124 12.150 51.748 132.570 1.00 18.12 C ATOM 1003 CG2 VAL A 124 10.119 52.818 131.484 1.00 19.93 C ATOM 1004 H VAL A 124 12.240 54.440 130.322 1.00 0.00 H ATOM 1005 N THR A 125 11.198 50.985 128.233 1.00 18.93 N ATOM 1006 CA THR A 125 10.324 50.730 127.096 1.00 19.58 C ATOM 1007 C THR A 125 8.894 50.805 127.676 1.00 24.28 C ATOM 1008 O THR A 125 8.654 50.241 128.742 1.00 24.58 O ATOM 1009 CB THR A 125 10.646 49.350 126.514 1.00 25.72 C ATOM 1010 OG1 THR A 125 12.041 49.295 126.222 1.00 28.27 O ATOM 1011 CG2 THR A 125 9.827 49.033 125.276 1.00 24.12 C ATOM 1012 HG1 THR A 125 12.263 48.407 125.845 1.00 0.00 H ATOM 1013 H THR A 125 11.727 50.191 128.646 1.00 0.00 H ATOM 1014 N PRO A 126 7.971 51.566 127.059 1.00 24.90 N ATOM 1015 CA PRO A 126 6.616 51.701 127.635 1.00 27.92 C ATOM 1016 C PRO A 126 5.786 50.425 127.534 1.00 37.05 C ATOM 1017 O PRO A 126 6.109 49.529 126.766 1.00 37.28 O ATOM 1018 CB PRO A 126 5.955 52.803 126.764 1.00 30.65 C ATOM 1019 CG PRO A 126 7.071 53.425 126.002 1.00 35.28 C ATOM 1020 CD PRO A 126 8.088 52.337 125.812 1.00 29.14 C ATOM 1021 N ILE A 127 4.726 50.357 128.324 1.00 38.75 N ATOM 1022 CA ILE A 127 3.766 49.261 128.239 1.00 42.91 C ATOM 1023 C ILE A 127 2.765 49.688 127.137 1.00 52.86 C ATOM 1024 O ILE A 127 1.947 50.595 127.358 1.00 53.45 O ATOM 1025 CB ILE A 127 3.081 48.982 129.603 1.00 46.94 C ATOM 1026 CG1 ILE A 127 4.117 48.652 130.747 1.00 45.36 C ATOM 1027 CG2 ILE A 127 1.991 47.901 129.439 1.00 50.25 C ATOM 1028 CD1 ILE A 127 4.904 47.254 130.722 1.00 44.94 C ATOM 1029 H ILE A 127 4.573 51.108 129.027 1.00 0.00 H ATOM 1030 N VAL A 128 2.919 49.112 125.922 1.00 53.20 N ATOM 1031 CA VAL A 128 2.057 49.397 124.772 1.00 56.06 C ATOM 1032 C VAL A 128 1.672 48.091 124.065 1.00 63.65 C ATOM 1033 O VAL A 128 2.548 47.338 123.626 1.00 64.00 O ATOM 1034 CB VAL A 128 2.583 50.496 123.794 1.00 60.28 C ATOM 1035 CG1 VAL A 128 2.173 51.892 124.257 1.00 60.12 C ATOM 1036 CG2 VAL A 128 4.093 50.417 123.592 1.00 59.10 C ATOM 1037 H VAL A 128 3.693 48.428 125.798 1.00 0.00 H ATOM 1038 N HIS A 129 0.354 47.816 123.999 1.00 61.58 N ATOM 1039 CA HIS A 129 -0.224 46.610 123.396 1.00 63.29 C ATOM 1040 C HIS A 129 -0.484 46.777 121.905 1.00 69.59 C ATOM 1041 O HIS A 129 -1.061 47.784 121.488 1.00 68.79 O ATOM 1042 CB HIS A 129 -1.540 46.223 124.102 1.00 65.31 C ATOM 1043 CG HIS A 129 -1.424 46.203 125.587 1.00 67.79 C ATOM 1044 ND1 HIS A 129 -0.932 45.097 126.254 1.00 69.24 N ATOM 1045 CD2 HIS A 129 -1.675 47.183 126.485 1.00 68.94 C ATOM 1046 CE1 HIS A 129 -0.912 45.433 127.529 1.00 68.14 C ATOM 1047 NE2 HIS A 129 -1.349 46.679 127.717 1.00 68.20 N ATOM 1048 H HIS A 129 -0.303 48.512 124.407 1.00 0.00 H ATOM 1049 N HIS A 130 -0.089 45.762 121.112 1.00 68.90 N ATOM 1050 CA HIS A 130 -0.288 45.720 119.663 1.00 70.19 C ATOM 1051 C HIS A 130 -1.610 44.993 119.366 1.00 77.52 C ATOM 1052 O HIS A 130 -1.629 43.910 118.766 1.00 78.48 O ATOM 1053 CB HIS A 130 0.920 45.067 118.961 1.00 70.54 C ATOM 1054 H HIS A 130 0.389 44.954 121.560 1.00 0.00 H ATOM 1055 N VAL A 131 -2.719 45.608 119.823 1.00 75.15 N ATOM 1056 CA VAL A 131 -4.089 45.120 119.671 1.00100.45 C ATOM 1057 C VAL A 131 -4.773 45.817 118.499 1.00127.20 C ATOM 1058 O VAL A 131 -5.655 45.243 117.867 1.00 91.25 O ATOM 1059 CB VAL A 131 -4.882 45.323 120.976 1.00104.64 C ATOM 1060 H VAL A 131 -2.589 46.508 120.328 1.00 0.00 H TER 1061 VAL A 131 ATOM 1062 N GLY C 14 35.777 66.417 169.368 1.00 57.75 N ATOM 1063 CA GLY C 14 34.327 66.550 169.312 1.00 55.35 C ATOM 1064 C GLY C 14 33.751 67.518 170.330 1.00 57.60 C ATOM 1065 O GLY C 14 34.472 68.038 171.191 1.00 58.13 O ATOM 1066 HN3 GLY C 14 36.056 66.073 170.309 1.00 0.00 H ATOM 1067 HN2 GLY C 14 36.216 67.343 169.192 1.00 0.00 H ATOM 1068 HN1 GLY C 14 36.090 65.740 168.643 1.00 0.00 H ATOM 1069 N ASP C 15 32.434 67.778 170.217 1.00 51.96 N ATOM 1070 CA ASP C 15 31.674 68.651 171.122 1.00 51.43 C ATOM 1071 C ASP C 15 31.161 67.794 172.284 1.00 51.96 C ATOM 1072 O ASP C 15 30.429 66.831 172.048 1.00 49.38 O ATOM 1073 CB ASP C 15 30.495 69.302 170.356 1.00 52.30 C ATOM 1074 CG ASP C 15 29.644 70.322 171.099 1.00 58.68 C ATOM 1075 OD1 ASP C 15 29.678 70.337 172.354 1.00 61.04 O ATOM 1076 OD2 ASP C 15 28.908 71.073 170.431 1.00 61.39 O ATOM 1077 H ASP C 15 31.919 67.329 169.433 1.00 0.00 H ATOM 1078 N LYS C 16 31.539 68.149 173.533 1.00 49.40 N ATOM 1079 CA LYS C 16 31.134 67.414 174.745 1.00 47.79 C ATOM 1080 C LYS C 16 29.635 67.553 175.064 1.00 49.41 C ATOM 1081 O LYS C 16 29.103 66.733 175.808 1.00 48.56 O ATOM 1082 CB LYS C 16 32.013 67.772 175.968 1.00 51.86 C ATOM 1083 CG LYS C 16 32.069 69.262 176.324 1.00 70.91 C ATOM 1084 CD LYS C 16 33.068 69.552 177.455 1.00 85.14 C ATOM 1085 CE LYS C 16 34.469 69.846 176.957 1.00 99.06 C ATOM 1086 NZ LYS C 16 35.404 70.156 178.073 1.00107.90 N ATOM 1087 HZ1 LYS C 16 35.061 70.991 178.590 1.00 0.00 H ATOM 1088 HZ2 LYS C 16 35.452 69.343 178.719 1.00 0.00 H ATOM 1089 HZ3 LYS C 16 36.350 70.351 177.687 1.00 0.00 H ATOM 1090 H LYS C 16 32.148 68.985 173.644 1.00 0.00 H ATOM 1091 N ASN C 17 28.950 68.565 174.480 1.00 44.39 N ATOM 1092 CA ASN C 17 27.504 68.760 174.665 1.00 41.99 C ATOM 1093 C ASN C 17 26.702 67.862 173.709 1.00 39.79 C ATOM 1094 O ASN C 17 25.501 67.670 173.915 1.00 38.30 O ATOM 1095 CB ASN C 17 27.118 70.234 174.493 1.00 45.64 C ATOM 1096 CG ASN C 17 27.621 71.102 175.626 1.00 68.59 C ATOM 1097 OD1 ASN C 17 27.269 70.911 176.797 1.00 55.68 O ATOM 1098 ND2 ASN C 17 28.470 72.065 175.306 1.00 67.00 N ATOM 1099 HD22 ASN C 17 28.749 72.204 174.314 1.00 0.00 H ATOM 1100 HD21 ASN C 17 28.858 72.683 176.047 1.00 0.00 H ATOM 1101 H ASN C 17 29.469 69.233 173.875 1.00 0.00 H ATOM 1102 N PHE C 18 27.361 67.309 172.679 1.00 34.84 N ATOM 1103 CA PHE C 18 26.690 66.427 171.718 1.00 32.64 C ATOM 1104 C PHE C 18 26.304 65.085 172.389 1.00 37.45 C ATOM 1105 O PHE C 18 27.184 64.435 172.965 1.00 37.75 O ATOM 1106 CB PHE C 18 27.527 66.216 170.436 1.00 33.49 C ATOM 1107 CG PHE C 18 26.823 65.360 169.403 1.00 32.93 C ATOM 1108 CD1 PHE C 18 25.765 65.872 168.650 1.00 34.51 C ATOM 1109 CD2 PHE C 18 27.216 64.045 169.182 1.00 33.68 C ATOM 1110 CE1 PHE C 18 25.085 65.063 167.734 1.00 33.94 C ATOM 1111 CE2 PHE C 18 26.556 63.248 168.245 1.00 34.96 C ATOM 1112 CZ PHE C 18 25.508 63.770 167.510 1.00 32.94 C ATOM 1113 H PHE C 18 28.374 67.511 172.559 1.00 0.00 H ATOM 1114 N PRO C 19 25.014 64.656 172.361 1.00 33.38 N ATOM 1115 CA PRO C 19 24.674 63.389 173.034 1.00 33.53 C ATOM 1116 C PRO C 19 25.310 62.174 172.340 1.00 38.46 C ATOM 1117 O PRO C 19 25.039 61.924 171.164 1.00 36.64 O ATOM 1118 CB PRO C 19 23.138 63.371 173.032 1.00 34.29 C ATOM 1119 CG PRO C 19 22.756 64.220 171.852 1.00 36.64 C ATOM 1120 CD PRO C 19 23.828 65.277 171.736 1.00 33.70 C ATOM 1121 N ARG C 20 26.198 61.447 173.075 1.00 38.48 N ATOM 1122 CA ARG C 20 26.907 60.248 172.584 1.00 38.69 C ATOM 1123 C ARG C 20 25.941 59.047 172.460 1.00 38.71 C ATOM 1124 O ARG C 20 26.261 58.062 171.791 1.00 41.60 O ATOM 1125 CB ARG C 20 28.087 59.895 173.507 1.00 45.29 C ATOM 1126 CG ARG C 20 29.098 58.931 172.873 1.00 57.00 C ATOM 1127 CD ARG C 20 29.890 58.182 173.922 1.00 66.52 C ATOM 1128 NE ARG C 20 30.385 56.901 173.417 1.00 74.26 N ATOM 1129 CZ ARG C 20 29.873 55.715 173.738 1.00 84.60 C ATOM 1130 NH1 ARG C 20 28.846 55.631 174.578 1.00 68.89 N ATOM 1131 NH2 ARG C 20 30.389 54.604 173.229 1.00 65.56 N ATOM 1132 HE ARG C 20 31.193 56.918 172.762 1.00 0.00 H ATOM 1133 HH12 ARG C 20 28.451 54.701 174.825 1.00 0.00 H ATOM 1134 HH11 ARG C 20 28.438 56.495 174.988 1.00 0.00 H ATOM 1135 HH22 ARG C 20 29.986 53.680 173.483 1.00 0.00 H ATOM 1136 HH21 ARG C 20 31.197 54.657 172.576 1.00 0.00 H ATOM 1137 H ARG C 20 26.390 61.758 174.049 1.00 0.00 H ATOM 1138 N THR C 21 24.772 59.134 173.109 1.00 28.22 N ATOM 1139 CA THR C 21 23.682 58.166 173.056 1.00 24.60 C ATOM 1140 C THR C 21 22.341 58.896 173.031 1.00 23.98 C ATOM 1141 O THR C 21 22.088 59.807 173.838 1.00 23.28 O ATOM 1142 CB THR C 21 23.739 57.192 174.244 1.00 28.35 C ATOM 1143 OG1 THR C 21 25.020 56.570 174.257 1.00 30.91 O ATOM 1144 CG2 THR C 21 22.649 56.132 174.171 1.00 25.48 C ATOM 1145 HG1 THR C 21 25.155 56.078 173.409 1.00 0.00 H ATOM 1146 H THR C 21 24.628 59.972 173.708 1.00 0.00 H ATOM 1147 N VAL C 22 21.462 58.427 172.139 1.00 19.75 N ATOM 1148 CA VAL C 22 20.098 58.949 172.059 1.00 18.47 C ATOM 1149 C VAL C 22 19.133 57.776 172.145 1.00 20.94 C ATOM 1150 O VAL C 22 19.538 56.631 171.940 1.00 20.53 O ATOM 1151 CB VAL C 22 19.856 59.805 170.792 1.00 18.71 C ATOM 1152 CG1 VAL C 22 20.809 60.994 170.742 1.00 18.19 C ATOM 1153 CG2 VAL C 22 19.961 58.955 169.514 1.00 17.09 C ATOM 1154 H VAL C 22 21.755 57.673 171.486 1.00 0.00 H ATOM 1155 N MET C 23 17.863 58.055 172.460 1.00 17.29 N ATOM 1156 CA MET C 23 16.845 56.991 172.463 1.00 16.43 C ATOM 1157 C MET C 23 16.119 57.005 171.141 1.00 18.39 C ATOM 1158 O MET C 23 15.802 58.080 170.583 1.00 19.23 O ATOM 1159 CB MET C 23 15.859 57.208 173.619 1.00 18.59 C ATOM 1160 CG MET C 23 16.503 56.921 174.968 1.00 21.58 C ATOM 1161 SD MET C 23 15.319 57.126 176.330 1.00 24.12 S ATOM 1162 CE MET C 23 15.140 58.941 176.374 1.00 21.45 C ATOM 1163 H MET C 23 17.593 59.029 172.704 1.00 0.00 H ATOM 1164 N VAL C 24 15.822 55.797 170.641 1.00 16.43 N ATOM 1165 CA VAL C 24 15.086 55.646 169.396 1.00 16.66 C ATOM 1166 C VAL C 24 13.969 54.631 169.585 1.00 20.65 C ATOM 1167 O VAL C 24 14.221 53.505 170.011 1.00 21.42 O ATOM 1168 CB VAL C 24 15.990 55.289 168.184 1.00 19.05 C ATOM 1169 CG1 VAL C 24 15.153 55.061 166.904 1.00 19.30 C ATOM 1170 CG2 VAL C 24 17.051 56.385 167.940 1.00 18.51 C ATOM 1171 H VAL C 24 16.126 54.946 171.157 1.00 0.00 H ATOM 1172 N ASN C 25 12.753 55.020 169.241 1.00 18.37 N ATOM 1173 CA ASN C 25 11.630 54.094 169.246 1.00 18.66 C ATOM 1174 C ASN C 25 11.638 53.449 167.853 1.00 21.43 C ATOM 1175 O ASN C 25 11.471 54.138 166.845 1.00 18.77 O ATOM 1176 CB ASN C 25 10.323 54.855 169.502 1.00 21.67 C ATOM 1177 CG ASN C 25 9.115 53.954 169.639 1.00 30.71 C ATOM 1178 OD1 ASN C 25 9.003 52.900 169.005 1.00 25.77 O ATOM 1179 ND2 ASN C 25 8.198 54.338 170.506 1.00 30.28 N ATOM 1180 HD22 ASN C 25 8.316 55.230 171.027 1.00 0.00 H ATOM 1181 HD21 ASN C 25 7.357 53.749 170.668 1.00 0.00 H ATOM 1182 H ASN C 25 12.596 56.009 168.961 1.00 0.00 H ATOM 1183 N LEU C 26 11.847 52.118 167.798 1.00 18.57 N ATOM 1184 CA LEU C 26 11.937 51.413 166.503 1.00 18.12 C ATOM 1185 C LEU C 26 10.594 51.175 165.811 1.00 23.40 C ATOM 1186 O LEU C 26 10.589 50.693 164.675 1.00 23.85 O ATOM 1187 CB LEU C 26 12.705 50.091 166.648 1.00 17.89 C ATOM 1188 CG LEU C 26 14.142 50.134 167.140 1.00 20.54 C ATOM 1189 CD1 LEU C 26 14.679 48.707 167.328 1.00 19.93 C ATOM 1190 CD2 LEU C 26 15.031 50.954 166.228 1.00 23.93 C ATOM 1191 H LEU C 26 11.946 51.579 168.682 1.00 0.00 H ATOM 1192 N ASN C 27 9.461 51.514 166.459 1.00 22.64 N ATOM 1193 CA ASN C 27 8.137 51.313 165.847 1.00 23.60 C ATOM 1194 C ASN C 27 7.835 52.400 164.811 1.00 25.16 C ATOM 1195 O ASN C 27 7.412 53.496 165.152 1.00 25.82 O ATOM 1196 CB ASN C 27 7.043 51.213 166.911 1.00 25.28 C ATOM 1197 CG ASN C 27 7.228 50.008 167.813 1.00 42.21 C ATOM 1198 OD1 ASN C 27 7.223 48.862 167.358 1.00 37.21 O ATOM 1199 ND2 ASN C 27 7.453 50.236 169.092 1.00 39.64 N ATOM 1200 HD22 ASN C 27 7.453 51.211 169.454 1.00 0.00 H ATOM 1201 HD21 ASN C 27 7.631 49.441 169.738 1.00 0.00 H ATOM 1202 H ASN C 27 9.524 51.926 167.412 1.00 0.00 H ATOM 1203 N ILE C 28 8.089 52.088 163.548 1.00 22.79 N ATOM 1204 CA ILE C 28 7.853 53.028 162.437 1.00 24.68 C ATOM 1205 C ILE C 28 6.327 53.182 162.206 1.00 37.76 C ATOM 1206 O ILE C 28 5.617 52.173 162.134 1.00 36.95 O ATOM 1207 CB ILE C 28 8.569 52.510 161.150 1.00 27.10 C ATOM 1208 CG1 ILE C 28 10.090 52.349 161.372 1.00 27.02 C ATOM 1209 CG2 ILE C 28 8.234 53.377 159.912 1.00 26.69 C ATOM 1210 CD1 ILE C 28 10.868 51.508 160.263 1.00 32.53 C ATOM 1211 H ILE C 28 8.469 51.144 163.333 1.00 0.00 H ATOM 1212 N HIS C 29 5.820 54.415 162.098 1.00 42.43 N ATOM 1213 CA HIS C 29 4.389 54.583 161.808 1.00 47.05 C ATOM 1214 C HIS C 29 4.086 55.755 160.863 1.00 58.05 C ATOM 1215 O HIS C 29 3.157 55.645 160.055 1.00 60.22 O ATOM 1216 CB HIS C 29 3.501 54.635 163.073 1.00 49.38 C ATOM 1217 CG HIS C 29 3.797 55.716 164.066 1.00 53.13 C ATOM 1218 ND1 HIS C 29 4.038 57.024 163.675 1.00 54.91 N ATOM 1219 CD2 HIS C 29 3.756 55.669 165.418 1.00 55.54 C ATOM 1220 CE1 HIS C 29 4.184 57.712 164.796 1.00 54.58 C ATOM 1221 NE2 HIS C 29 4.020 56.942 165.868 1.00 55.33 N ATOM 1222 H HIS C 29 6.433 55.247 162.218 1.00 0.00 H ATOM 1223 N ASN C 30 4.858 56.863 160.957 1.00 57.07 N ATOM 1224 CA ASN C 30 4.667 58.080 160.155 1.00 99.02 C ATOM 1225 C ASN C 30 5.957 58.887 160.050 1.00138.07 C ATOM 1226 O ASN C 30 6.054 59.789 159.219 1.00105.57 O ATOM 1227 CB ASN C 30 3.550 58.950 160.755 1.00101.44 C ATOM 1228 H ASN C 30 5.639 56.852 161.643 1.00 0.00 H TER 1229 ASN C 30 ATOM 1230 N SER C 41 4.605 47.819 136.385 1.00 45.45 N ATOM 1231 CA SER C 41 5.631 46.776 136.369 1.00 44.19 C ATOM 1232 C SER C 41 7.015 47.309 136.792 1.00 46.91 C ATOM 1233 O SER C 41 7.139 48.506 137.061 1.00 46.90 O ATOM 1234 CB SER C 41 5.689 46.109 134.998 1.00 43.75 C ATOM 1235 OG SER C 41 6.299 44.837 135.129 1.00 40.05 O ATOM 1236 HG SER C 41 6.340 44.399 134.242 1.00 0.00 H ATOM 1237 HN3 SER C 41 4.873 48.578 135.726 1.00 0.00 H ATOM 1238 HN2 SER C 41 4.521 48.206 137.346 1.00 0.00 H ATOM 1239 HN1 SER C 41 3.694 47.412 136.094 1.00 0.00 H ATOM 1240 N ASP C 42 8.050 46.409 136.845 1.00 41.23 N ATOM 1241 CA ASP C 42 9.412 46.701 137.288 1.00 37.72 C ATOM 1242 C ASP C 42 10.409 47.154 136.206 1.00 36.46 C ATOM 1243 O ASP C 42 10.633 46.525 135.153 1.00 39.62 O ATOM 1244 CB ASP C 42 10.003 45.519 138.036 1.00 40.49 C ATOM 1245 CG ASP C 42 9.100 44.973 139.118 1.00 50.96 C ATOM 1246 OD1 ASP C 42 8.670 45.766 139.992 1.00 50.24 O ATOM 1247 OD2 ASP C 42 8.773 43.775 139.058 1.00 59.81 O ATOM 1248 H ASP C 42 7.847 45.434 136.544 1.00 0.00 H ATOM 1249 N TYR C 43 11.125 48.176 136.576 1.00 23.42 N ATOM 1250 CA TYR C 43 12.050 48.838 135.673 1.00 21.35 C ATOM 1251 C TYR C 43 13.353 48.111 135.463 1.00 22.84 C ATOM 1252 O TYR C 43 13.933 48.308 134.417 1.00 20.28 O ATOM 1253 CB TYR C 43 12.347 50.261 136.197 1.00 20.68 C ATOM 1254 CG TYR C 43 11.136 51.112 136.510 1.00 21.78 C ATOM 1255 CD1 TYR C 43 9.961 50.993 135.772 1.00 23.75 C ATOM 1256 CD2 TYR C 43 11.179 52.073 137.521 1.00 22.73 C ATOM 1257 CE1 TYR C 43 8.866 51.825 136.015 1.00 25.04 C ATOM 1258 CE2 TYR C 43 10.078 52.881 137.798 1.00 23.43 C ATOM 1259 CZ TYR C 43 8.935 52.770 137.027 1.00 26.91 C ATOM 1260 OH TYR C 43 7.849 53.565 137.284 1.00 31.18 O ATOM 1261 HH TYR C 43 7.127 53.353 136.641 1.00 0.00 H ATOM 1262 H TYR C 43 11.032 48.530 137.549 1.00 0.00 H ATOM 1263 N TYR C 44 13.834 47.302 136.428 1.00 20.77 N ATOM 1264 CA TYR C 44 15.125 46.590 136.299 1.00 21.92 C ATOM 1265 C TYR C 44 15.235 45.806 135.003 1.00 23.65 C ATOM 1266 O TYR C 44 16.342 45.620 134.502 1.00 21.51 O ATOM 1267 CB TYR C 44 15.420 45.696 137.529 1.00 22.93 C ATOM 1268 CG TYR C 44 14.571 44.448 137.638 1.00 26.85 C ATOM 1269 CD1 TYR C 44 14.976 43.257 137.053 1.00 30.62 C ATOM 1270 CD2 TYR C 44 13.370 44.457 138.337 1.00 28.82 C ATOM 1271 CE1 TYR C 44 14.196 42.102 137.143 1.00 36.77 C ATOM 1272 CE2 TYR C 44 12.584 43.302 138.442 1.00 31.36 C ATOM 1273 CZ TYR C 44 13.015 42.124 137.866 1.00 42.66 C ATOM 1274 OH TYR C 44 12.234 40.999 137.970 1.00 51.20 O ATOM 1275 HH TYR C 44 11.354 41.170 137.551 1.00 0.00 H ATOM 1276 H TYR C 44 13.277 47.173 137.296 1.00 0.00 H ATOM 1277 N ASP C 45 14.085 45.306 134.480 1.00 21.82 N ATOM 1278 CA ASP C 45 13.973 44.528 133.255 1.00 24.19 C ATOM 1279 C ASP C 45 13.710 45.351 132.001 1.00 27.66 C ATOM 1280 O ASP C 45 14.188 44.988 130.932 1.00 28.67 O ATOM 1281 CB ASP C 45 12.810 43.506 133.408 1.00 28.70 C ATOM 1282 CG ASP C 45 13.217 42.066 133.601 1.00 45.02 C ATOM 1283 OD1 ASP C 45 14.365 41.721 133.250 1.00 42.86 O ATOM 1284 OD2 ASP C 45 12.359 41.263 134.033 1.00 57.17 O ATOM 1285 H ASP C 45 13.206 45.496 135.002 1.00 0.00 H ATOM 1286 N ARG C 46 12.880 46.393 132.105 1.00 22.98 N ATOM 1287 CA ARG C 46 12.407 47.205 130.978 1.00 22.09 C ATOM 1288 C ARG C 46 13.359 48.368 130.624 1.00 19.74 C ATOM 1289 O ARG C 46 13.224 48.997 129.564 1.00 17.54 O ATOM 1290 CB ARG C 46 11.013 47.777 131.330 1.00 25.26 C ATOM 1291 CG ARG C 46 9.898 46.756 131.238 1.00 39.84 C ATOM 1292 CD ARG C 46 8.566 47.453 131.193 1.00 40.66 C ATOM 1293 NE ARG C 46 8.225 48.084 132.464 1.00 36.13 N ATOM 1294 CZ ARG C 46 7.708 49.305 132.588 1.00 36.49 C ATOM 1295 NH1 ARG C 46 7.579 50.092 131.522 1.00 25.98 N ATOM 1296 NH2 ARG C 46 7.364 49.763 133.779 1.00 30.02 N ATOM 1297 HE ARG C 46 8.398 47.542 133.334 1.00 0.00 H ATOM 1298 HH12 ARG C 46 7.175 51.045 131.625 1.00 0.00 H ATOM 1299 HH11 ARG C 46 7.883 49.754 130.586 1.00 0.00 H ATOM 1300 HH22 ARG C 46 6.960 50.717 133.873 1.00 0.00 H ATOM 1301 HH21 ARG C 46 7.497 49.169 134.623 1.00 0.00 H ATOM 1302 H ARG C 46 12.544 46.648 133.056 1.00 0.00 H ATOM 1303 N SER C 47 14.265 48.681 131.537 1.00 15.87 N ATOM 1304 CA SER C 47 15.210 49.792 131.328 1.00 13.54 C ATOM 1305 C SER C 47 16.161 49.538 130.171 1.00 15.92 C ATOM 1306 O SER C 47 16.538 48.367 129.926 1.00 14.94 O ATOM 1307 CB SER C 47 16.020 50.003 132.613 1.00 14.81 C ATOM 1308 OG SER C 47 17.003 51.008 132.415 1.00 13.94 O ATOM 1309 HG SER C 47 16.559 51.858 132.168 1.00 0.00 H ATOM 1310 H SER C 47 14.311 48.132 132.419 1.00 0.00 H ATOM 1311 N THR C 48 16.606 50.624 129.472 1.00 12.71 N ATOM 1312 CA THR C 48 17.662 50.502 128.448 1.00 14.21 C ATOM 1313 C THR C 48 19.003 50.221 129.156 1.00 15.85 C ATOM 1314 O THR C 48 19.963 49.804 128.521 1.00 14.95 O ATOM 1315 CB THR C 48 17.758 51.748 127.555 1.00 17.38 C ATOM 1316 OG1 THR C 48 18.249 52.845 128.349 1.00 16.31 O ATOM 1317 CG2 THR C 48 16.396 52.070 126.846 1.00 15.51 C ATOM 1318 HG1 THR C 48 18.316 53.656 127.784 1.00 0.00 H ATOM 1319 H THR C 48 16.191 51.558 129.666 1.00 0.00 H ATOM 1320 N SER C 49 19.072 50.472 130.488 1.00 14.05 N ATOM 1321 CA SER C 49 20.271 50.142 131.294 1.00 12.73 C ATOM 1322 C SER C 49 19.770 49.174 132.393 1.00 15.17 C ATOM 1323 O SER C 49 19.650 49.548 133.564 1.00 13.36 O ATOM 1324 CB SER C 49 20.854 51.412 131.918 1.00 12.96 C ATOM 1325 OG SER C 49 19.833 52.158 132.598 1.00 12.61 O ATOM 1326 HG SER C 49 19.127 52.413 131.953 1.00 0.00 H ATOM 1327 H SER C 49 18.255 50.911 130.959 1.00 0.00 H ATOM 1328 N PRO C 50 19.396 47.942 132.006 1.00 13.74 N ATOM 1329 CA PRO C 50 18.801 47.013 132.976 1.00 14.99 C ATOM 1330 C PRO C 50 19.794 46.565 134.041 1.00 16.86 C ATOM 1331 O PRO C 50 21.009 46.741 133.876 1.00 15.14 O ATOM 1332 CB PRO C 50 18.328 45.857 132.076 1.00 17.33 C ATOM 1333 CG PRO C 50 19.320 45.824 130.984 1.00 20.26 C ATOM 1334 CD PRO C 50 19.502 47.316 130.675 1.00 14.05 C ATOM 1335 N TRP C 51 19.269 46.044 135.160 1.00 15.32 N ATOM 1336 CA TRP C 51 20.117 45.595 136.245 1.00 15.97 C ATOM 1337 C TRP C 51 19.594 44.342 136.904 1.00 20.41 C ATOM 1338 O TRP C 51 18.434 43.944 136.670 1.00 18.57 O ATOM 1339 CB TRP C 51 20.305 46.728 137.273 1.00 14.48 C ATOM 1340 CG TRP C 51 19.038 47.179 137.973 1.00 16.00 C ATOM 1341 CD1 TRP C 51 18.588 46.763 139.195 1.00 18.90 C ATOM 1342 CD2 TRP C 51 18.182 48.278 137.579 1.00 15.30 C ATOM 1343 NE1 TRP C 51 17.478 47.502 139.571 1.00 18.56 N ATOM 1344 CE2 TRP C 51 17.190 48.415 138.579 1.00 18.45 C ATOM 1345 CE3 TRP C 51 18.091 49.081 136.416 1.00 16.02 C ATOM 1346 CZ2 TRP C 51 16.189 49.399 138.509 1.00 17.16 C ATOM 1347 CZ3 TRP C 51 17.098 50.051 136.342 1.00 16.73 C ATOM 1348 CH2 TRP C 51 16.160 50.202 137.377 1.00 17.32 C ATOM 1349 HE1 TRP C 51 16.948 47.387 140.458 1.00 0.00 H ATOM 1350 H TRP C 51 18.236 45.961 135.250 1.00 0.00 H ATOM 1351 N ASN C 52 20.490 43.672 137.643 1.00 17.24 N ATOM 1352 CA ASN C 52 20.184 42.518 138.441 1.00 17.58 C ATOM 1353 C ASN C 52 20.306 42.950 139.888 1.00 20.29 C ATOM 1354 O ASN C 52 20.948 43.950 140.186 1.00 19.05 O ATOM 1355 CB ASN C 52 21.164 41.371 138.160 1.00 17.95 C ATOM 1356 CG ASN C 52 21.164 40.919 136.737 1.00 36.61 C ATOM 1357 OD1 ASN C 52 20.122 40.812 136.093 1.00 31.97 O ATOM 1358 ND2 ASN C 52 22.350 40.703 136.201 1.00 33.24 N ATOM 1359 HD22 ASN C 52 23.208 40.804 136.780 1.00 0.00 H ATOM 1360 HD21 ASN C 52 22.427 40.432 135.200 1.00 0.00 H ATOM 1361 H ASN C 52 21.473 44.011 137.638 1.00 0.00 H ATOM 1362 N LEU C 53 19.699 42.178 140.797 1.00 19.25 N ATOM 1363 CA LEU C 53 19.738 42.543 142.189 1.00 19.50 C ATOM 1364 C LEU C 53 20.436 41.455 143.000 1.00 20.32 C ATOM 1365 O LEU C 53 20.174 40.267 142.790 1.00 22.76 O ATOM 1366 CB LEU C 53 18.324 42.856 142.687 1.00 21.48 C ATOM 1367 CG LEU C 53 17.755 44.168 142.085 1.00 26.20 C ATOM 1368 CD1 LEU C 53 16.275 44.046 141.774 1.00 31.85 C ATOM 1369 CD2 LEU C 53 18.166 45.390 142.899 1.00 21.51 C ATOM 1370 H LEU C 53 19.200 41.316 140.498 1.00 0.00 H ATOM 1371 N HIS C 54 21.370 41.874 143.866 1.00 16.55 N ATOM 1372 CA HIS C 54 22.134 40.955 144.701 1.00 18.80 C ATOM 1373 C HIS C 54 21.731 41.123 146.181 1.00 19.15 C ATOM 1374 O HIS C 54 21.838 42.225 146.704 1.00 18.01 O ATOM 1375 CB HIS C 54 23.643 41.220 144.534 1.00 21.70 C ATOM 1376 CG HIS C 54 24.438 40.181 145.235 1.00 28.04 C ATOM 1377 ND1 HIS C 54 24.641 38.936 144.663 1.00 31.99 N ATOM 1378 CD2 HIS C 54 24.920 40.173 146.503 1.00 32.10 C ATOM 1379 CE1 HIS C 54 25.269 38.217 145.581 1.00 33.57 C ATOM 1380 NE2 HIS C 54 25.459 38.922 146.709 1.00 33.33 N ATOM 1381 H HIS C 54 21.557 42.894 143.945 1.00 0.00 H ATOM 1382 N ARG C 55 21.354 40.029 146.840 1.00 15.64 N ATOM 1383 CA ARG C 55 20.902 40.114 148.244 1.00 15.82 C ATOM 1384 C ARG C 55 22.069 40.025 149.218 1.00 20.40 C ATOM 1385 O ARG C 55 22.962 39.202 149.038 1.00 20.28 O ATOM 1386 CB ARG C 55 19.922 38.939 148.478 1.00 17.64 C ATOM 1387 CG ARG C 55 19.109 38.979 149.790 1.00 19.88 C ATOM 1388 CD ARG C 55 18.212 37.740 149.740 1.00 23.27 C ATOM 1389 NE ARG C 55 17.146 37.752 150.749 1.00 26.01 N ATOM 1390 CZ ARG C 55 17.297 37.384 152.005 1.00 29.70 C ATOM 1391 NH1 ARG C 55 18.465 36.919 152.431 1.00 27.36 N ATOM 1392 NH2 ARG C 55 16.265 37.421 152.841 1.00 29.55 N ATOM 1393 HE ARG C 55 16.203 38.074 150.451 1.00 0.00 H ATOM 1394 HH12 ARG C 55 18.579 36.630 153.423 1.00 0.00 H ATOM 1395 HH11 ARG C 55 19.266 36.844 151.772 1.00 0.00 H ATOM 1396 HH22 ARG C 55 16.388 37.130 153.832 1.00 0.00 H ATOM 1397 HH21 ARG C 55 15.334 37.741 152.505 1.00 0.00 H ATOM 1398 H ARG C 55 21.378 39.106 146.362 1.00 0.00 H ATOM 1399 N ASN C 56 22.004 40.832 150.296 1.00 20.01 N ATOM 1400 CA ASN C 56 22.983 40.733 151.368 1.00 21.21 C ATOM 1401 C ASN C 56 22.245 40.669 152.692 1.00 21.68 C ATOM 1402 O ASN C 56 21.410 41.527 152.966 1.00 21.34 O ATOM 1403 CB ASN C 56 23.981 41.907 151.334 1.00 21.04 C ATOM 1404 CG ASN C 56 24.950 41.831 152.501 1.00 34.38 C ATOM 1405 OD1 ASN C 56 24.690 42.386 153.575 1.00 30.54 O ATOM 1406 ND2 ASN C 56 25.983 40.994 152.382 1.00 30.10 N ATOM 1407 HD22 ASN C 56 26.181 40.539 151.468 1.00 0.00 H ATOM 1408 HD21 ASN C 56 26.590 40.796 153.203 1.00 0.00 H ATOM 1409 H ASN C 56 21.242 41.537 150.362 1.00 0.00 H ATOM 1410 N GLU C 57 22.577 39.689 153.517 1.00 19.43 N ATOM 1411 CA GLU C 57 21.941 39.549 154.827 1.00 19.23 C ATOM 1412 C GLU C 57 23.012 39.538 155.922 1.00 23.59 C ATOM 1413 O GLU C 57 23.988 38.776 155.838 1.00 23.41 O ATOM 1414 CB GLU C 57 21.084 38.259 154.866 1.00 20.31 C ATOM 1415 CG GLU C 57 20.344 38.077 156.180 1.00 22.06 C ATOM 1416 CD GLU C 57 19.223 37.047 156.154 1.00 30.43 C ATOM 1417 OE1 GLU C 57 19.165 36.244 155.194 1.00 29.63 O ATOM 1418 OE2 GLU C 57 18.430 37.015 157.121 1.00 28.27 O ATOM 1419 H GLU C 57 23.305 39.004 153.228 1.00 0.00 H ATOM 1420 N ASP C 58 22.800 40.344 156.967 1.00 21.76 N ATOM 1421 CA ASP C 58 23.702 40.456 158.109 1.00 20.26 C ATOM 1422 C ASP C 58 22.817 40.632 159.358 1.00 20.63 C ATOM 1423 O ASP C 58 22.237 41.724 159.520 1.00 18.90 O ATOM 1424 CB ASP C 58 24.619 41.701 157.911 1.00 21.16 C ATOM 1425 CG ASP C 58 25.682 41.924 158.987 1.00 22.93 C ATOM 1426 OD1 ASP C 58 25.594 41.296 160.045 1.00 24.26 O ATOM 1427 OD2 ASP C 58 26.559 42.780 158.779 1.00 30.77 O ATOM 1428 H ASP C 58 21.939 40.927 156.966 1.00 0.00 H ATOM 1429 N PRO C 59 22.699 39.614 160.232 1.00 20.59 N ATOM 1430 CA PRO C 59 21.849 39.749 161.436 1.00 21.13 C ATOM 1431 C PRO C 59 22.330 40.798 162.443 1.00 24.88 C ATOM 1432 O PRO C 59 21.574 41.145 163.338 1.00 26.19 O ATOM 1433 CB PRO C 59 21.862 38.347 162.054 1.00 24.34 C ATOM 1434 CG PRO C 59 23.133 37.742 161.577 1.00 29.30 C ATOM 1435 CD PRO C 59 23.340 38.278 160.183 1.00 23.51 C ATOM 1436 N GLU C 60 23.560 41.323 162.271 1.00 19.13 N ATOM 1437 CA GLU C 60 24.112 42.359 163.165 1.00 19.60 C ATOM 1438 C GLU C 60 23.711 43.752 162.728 1.00 20.27 C ATOM 1439 O GLU C 60 24.048 44.749 163.390 1.00 20.07 O ATOM 1440 CB GLU C 60 25.637 42.221 163.263 1.00 21.40 C ATOM 1441 CG GLU C 60 26.061 40.941 163.978 1.00 24.99 C ATOM 1442 CD GLU C 60 25.585 40.877 165.411 1.00 37.00 C ATOM 1443 OE1 GLU C 60 25.853 41.844 166.156 1.00 25.59 O ATOM 1444 OE2 GLU C 60 24.917 39.886 165.783 1.00 40.33 O ATOM 1445 H GLU C 60 24.142 40.985 161.478 1.00 0.00 H ATOM 1446 N ARG C 61 23.025 43.831 161.587 1.00 19.00 N ATOM 1447 CA ARG C 61 22.552 45.068 160.980 1.00 18.14 C ATOM 1448 C ARG C 61 21.021 45.095 161.033 1.00 19.46 C ATOM 1449 O ARG C 61 20.384 44.051 160.915 1.00 18.04 O ATOM 1450 CB ARG C 61 23.031 45.100 159.507 1.00 20.80 C ATOM 1451 CG ARG C 61 22.836 46.433 158.801 1.00 19.32 C ATOM 1452 CD ARG C 61 23.279 46.339 157.358 1.00 18.96 C ATOM 1453 NE ARG C 61 22.619 45.254 156.605 1.00 18.71 N ATOM 1454 CZ ARG C 61 23.195 44.534 155.643 1.00 21.71 C ATOM 1455 NH1 ARG C 61 22.532 43.547 155.057 1.00 21.35 N ATOM 1456 NH2 ARG C 61 24.439 44.790 155.265 1.00 23.17 N ATOM 1457 HE ARG C 61 21.631 45.035 156.843 1.00 0.00 H ATOM 1458 HH12 ARG C 61 22.987 42.989 154.307 1.00 0.00 H ATOM 1459 HH11 ARG C 61 21.557 43.331 155.347 1.00 0.00 H ATOM 1460 HH22 ARG C 61 24.881 44.223 154.513 1.00 0.00 H ATOM 1461 HH21 ARG C 61 24.973 45.558 155.720 1.00 0.00 H ATOM 1462 H ARG C 61 22.811 42.941 161.093 1.00 0.00 H ATOM 1463 N TYR C 62 20.432 46.292 161.179 1.00 17.15 N ATOM 1464 CA TYR C 62 18.985 46.483 161.203 1.00 16.51 C ATOM 1465 C TYR C 62 18.729 47.712 160.326 1.00 17.20 C ATOM 1466 O TYR C 62 19.127 48.824 160.705 1.00 17.32 O ATOM 1467 CB TYR C 62 18.511 46.722 162.652 1.00 17.78 C ATOM 1468 CG TYR C 62 17.012 46.792 162.829 1.00 16.30 C ATOM 1469 CD1 TYR C 62 16.266 45.639 163.068 1.00 18.14 C ATOM 1470 CD2 TYR C 62 16.349 48.017 162.854 1.00 17.12 C ATOM 1471 CE1 TYR C 62 14.893 45.702 163.315 1.00 20.79 C ATOM 1472 CE2 TYR C 62 14.972 48.090 163.098 1.00 17.09 C ATOM 1473 CZ TYR C 62 14.258 46.934 163.351 1.00 21.33 C ATOM 1474 OH TYR C 62 12.902 46.989 163.598 1.00 21.72 O ATOM 1475 HH TYR C 62 12.441 47.384 162.816 1.00 0.00 H ATOM 1476 H TYR C 62 21.040 47.130 161.281 1.00 0.00 H ATOM 1477 N PRO C 63 18.180 47.551 159.109 1.00 13.71 N ATOM 1478 CA PRO C 63 17.662 46.310 158.501 1.00 13.55 C ATOM 1479 C PRO C 63 18.737 45.269 158.224 1.00 15.89 C ATOM 1480 O PRO C 63 19.827 45.600 157.794 1.00 15.19 O ATOM 1481 CB PRO C 63 17.031 46.785 157.179 1.00 15.69 C ATOM 1482 CG PRO C 63 17.744 48.102 156.856 1.00 18.04 C ATOM 1483 CD PRO C 63 17.971 48.724 158.222 1.00 13.47 C ATOM 1484 N SER C 64 18.393 44.001 158.413 1.00 14.43 N ATOM 1485 CA SER C 64 19.312 42.887 158.193 1.00 13.76 C ATOM 1486 C SER C 64 19.503 42.539 156.721 1.00 18.42 C ATOM 1487 O SER C 64 20.491 41.882 156.405 1.00 20.58 O ATOM 1488 CB SER C 64 18.818 41.645 158.953 1.00 18.38 C ATOM 1489 OG SER C 64 17.439 41.417 158.686 1.00 17.88 O ATOM 1490 HG SER C 64 17.136 40.615 159.182 1.00 0.00 H ATOM 1491 H SER C 64 17.426 43.791 158.732 1.00 0.00 H ATOM 1492 N VAL C 65 18.538 42.857 155.852 1.00 13.67 N ATOM 1493 CA VAL C 65 18.611 42.505 154.413 1.00 13.38 C ATOM 1494 C VAL C 65 18.598 43.779 153.588 1.00 17.80 C ATOM 1495 O VAL C 65 17.673 44.606 153.729 1.00 14.93 O ATOM 1496 CB VAL C 65 17.492 41.512 153.963 1.00 16.98 C ATOM 1497 CG1 VAL C 65 17.467 41.356 152.434 1.00 16.89 C ATOM 1498 CG2 VAL C 65 17.669 40.149 154.621 1.00 18.11 C ATOM 1499 H VAL C 65 17.703 43.371 156.199 1.00 0.00 H ATOM 1500 N ILE C 66 19.596 43.900 152.687 1.00 14.65 N ATOM 1501 CA ILE C 66 19.694 45.001 151.728 1.00 13.07 C ATOM 1502 C ILE C 66 19.994 44.373 150.383 1.00 17.43 C ATOM 1503 O ILE C 66 20.604 43.303 150.311 1.00 17.47 O ATOM 1504 CB ILE C 66 20.774 46.050 152.117 1.00 16.96 C ATOM 1505 CG1 ILE C 66 22.173 45.390 152.141 1.00 20.56 C ATOM 1506 CG2 ILE C 66 20.442 46.716 153.499 1.00 17.07 C ATOM 1507 CD1 ILE C 66 23.423 46.391 152.111 1.00 28.69 C ATOM 1508 H ILE C 66 20.337 43.170 152.674 1.00 0.00 H ATOM 1509 N TRP C 67 19.633 45.072 149.335 1.00 15.86 N ATOM 1510 CA TRP C 67 19.849 44.571 147.987 1.00 17.39 C ATOM 1511 C TRP C 67 20.730 45.565 147.226 1.00 21.33 C ATOM 1512 O TRP C 67 20.666 46.776 147.481 1.00 21.99 O ATOM 1513 CB TRP C 67 18.518 44.426 147.276 1.00 17.42 C ATOM 1514 CG TRP C 67 17.657 43.340 147.842 1.00 19.60 C ATOM 1515 CD1 TRP C 67 16.821 43.433 148.912 1.00 22.71 C ATOM 1516 CD2 TRP C 67 17.461 42.044 147.291 1.00 20.71 C ATOM 1517 NE1 TRP C 67 16.170 42.254 149.098 1.00 24.07 N ATOM 1518 CE2 TRP C 67 16.538 41.374 148.118 1.00 26.12 C ATOM 1519 CE3 TRP C 67 18.009 41.362 146.190 1.00 22.05 C ATOM 1520 CZ2 TRP C 67 16.117 40.065 147.864 1.00 26.97 C ATOM 1521 CZ3 TRP C 67 17.563 40.075 145.913 1.00 26.24 C ATOM 1522 CH2 TRP C 67 16.652 39.426 146.763 1.00 27.13 C ATOM 1523 HE1 TRP C 67 15.497 42.053 149.865 1.00 0.00 H ATOM 1524 H TRP C 67 19.184 46.001 149.470 1.00 0.00 H ATOM 1525 N GLU C 68 21.602 45.044 146.355 1.00 16.37 N ATOM 1526 CA GLU C 68 22.510 45.903 145.581 1.00 16.40 C ATOM 1527 C GLU C 68 22.223 45.692 144.106 1.00 17.42 C ATOM 1528 O GLU C 68 22.302 44.536 143.639 1.00 16.15 O ATOM 1529 CB GLU C 68 23.972 45.475 145.900 1.00 17.58 C ATOM 1530 CG GLU C 68 25.080 46.241 145.148 1.00 22.58 C ATOM 1531 CD GLU C 68 25.329 47.690 145.572 1.00 30.28 C ATOM 1532 OE1 GLU C 68 26.279 48.326 145.058 1.00 25.33 O ATOM 1533 OE2 GLU C 68 24.548 48.203 146.398 1.00 22.02 O ATOM 1534 H GLU C 68 21.638 44.013 146.223 1.00 0.00 H ATOM 1535 N ALA C 69 21.958 46.783 143.369 1.00 16.21 N ATOM 1536 CA ALA C 69 21.749 46.686 141.919 1.00 14.62 C ATOM 1537 C ALA C 69 23.101 46.566 141.255 1.00 18.83 C ATOM 1538 O ALA C 69 24.068 47.257 141.619 1.00 17.33 O ATOM 1539 CB ALA C 69 21.034 47.939 141.386 1.00 15.30 C ATOM 1540 H ALA C 69 21.900 47.712 143.833 1.00 0.00 H ATOM 1541 N LYS C 70 23.156 45.707 140.234 1.00 15.42 N ATOM 1542 CA LYS C 70 24.368 45.542 139.434 1.00 14.89 C ATOM 1543 C LYS C 70 23.929 45.726 137.979 1.00 14.75 C ATOM 1544 O LYS C 70 23.058 44.978 137.518 1.00 16.80 O ATOM 1545 CB LYS C 70 24.900 44.102 139.629 1.00 17.04 C ATOM 1546 CG LYS C 70 25.213 43.754 141.099 1.00 25.14 C ATOM 1547 CD LYS C 70 26.553 44.330 141.485 1.00 29.90 C ATOM 1548 CE LYS C 70 26.990 43.902 142.884 1.00 34.66 C ATOM 1549 NZ LYS C 70 28.292 44.542 143.245 1.00 35.69 N ATOM 1550 HZ1 LYS C 70 29.020 44.254 142.560 1.00 0.00 H ATOM 1551 HZ2 LYS C 70 28.186 45.576 143.225 1.00 0.00 H ATOM 1552 HZ3 LYS C 70 28.573 44.239 144.199 1.00 0.00 H ATOM 1553 H LYS C 70 22.315 45.141 140.002 1.00 0.00 H ATOM 1554 N CYS C 71 24.530 46.671 137.254 1.00 13.66 N ATOM 1555 CA CYS C 71 24.108 46.891 135.856 1.00 14.12 C ATOM 1556 C CYS C 71 24.411 45.627 135.050 1.00 16.39 C ATOM 1557 O CYS C 71 25.494 45.039 135.191 1.00 15.96 O ATOM 1558 CB CYS C 71 24.788 48.108 135.229 1.00 14.84 C ATOM 1559 SG CYS C 71 24.619 49.627 136.206 1.00 18.41 S ATOM 1560 H CYS C 71 25.289 47.248 137.670 1.00 0.00 H ATOM 1561 N ARG C 72 23.462 45.218 134.224 1.00 13.83 N ATOM 1562 CA ARG C 72 23.631 43.985 133.442 1.00 14.58 C ATOM 1563 C ARG C 72 24.693 44.113 132.386 1.00 18.70 C ATOM 1564 O ARG C 72 25.448 43.169 132.152 1.00 20.03 O ATOM 1565 CB ARG C 72 22.326 43.646 132.705 1.00 19.79 C ATOM 1566 CG ARG C 72 21.305 43.082 133.613 1.00 26.86 C ATOM 1567 CD ARG C 72 20.313 42.213 132.850 1.00 24.73 C ATOM 1568 NE ARG C 72 19.167 42.082 133.724 1.00 24.98 N ATOM 1569 CZ ARG C 72 17.913 42.145 133.326 1.00 29.48 C ATOM 1570 NH1 ARG C 72 17.626 42.237 132.033 1.00 21.60 N ATOM 1571 NH2 ARG C 72 16.931 42.058 134.211 1.00 33.51 N ATOM 1572 HE ARG C 72 19.346 41.927 134.737 1.00 0.00 H ATOM 1573 HH12 ARG C 72 16.635 42.287 131.723 1.00 0.00 H ATOM 1574 HH11 ARG C 72 18.393 42.260 131.331 1.00 0.00 H ATOM 1575 HH22 ARG C 72 15.941 42.108 133.896 1.00 0.00 H ATOM 1576 HH21 ARG C 72 17.150 41.940 135.221 1.00 0.00 H ATOM 1577 H ARG C 72 22.588 45.774 134.127 1.00 0.00 H ATOM 1578 N HIS C 73 24.720 45.263 131.709 1.00 15.62 N ATOM 1579 CA HIS C 73 25.606 45.448 130.569 1.00 16.22 C ATOM 1580 C HIS C 73 26.518 46.659 130.713 1.00 20.85 C ATOM 1581 O HIS C 73 26.242 47.554 131.515 1.00 18.80 O ATOM 1582 CB HIS C 73 24.756 45.602 129.285 1.00 17.26 C ATOM 1583 CG HIS C 73 23.662 44.580 129.159 1.00 19.80 C ATOM 1584 ND1 HIS C 73 23.944 43.214 129.006 1.00 22.96 N ATOM 1585 CD2 HIS C 73 22.322 44.747 129.221 1.00 21.08 C ATOM 1586 CE1 HIS C 73 22.766 42.614 128.951 1.00 22.74 C ATOM 1587 NE2 HIS C 73 21.763 43.491 129.070 1.00 22.17 N ATOM 1588 H HIS C 73 24.096 46.042 132.002 1.00 0.00 H ATOM 1589 N LEU C 74 27.595 46.696 129.867 1.00 17.11 N ATOM 1590 CA LEU C 74 28.484 47.857 129.772 1.00 16.98 C ATOM 1591 C LEU C 74 27.748 48.961 128.989 1.00 18.89 C ATOM 1592 O LEU C 74 27.834 50.131 129.357 1.00 18.03 O ATOM 1593 CB LEU C 74 29.800 47.504 129.080 1.00 18.26 C ATOM 1594 CG LEU C 74 30.759 46.586 129.859 1.00 24.11 C ATOM 1595 CD1 LEU C 74 32.029 46.359 129.082 1.00 24.42 C ATOM 1596 CD2 LEU C 74 31.050 47.122 131.266 1.00 26.15 C ATOM 1597 H LEU C 74 27.789 45.868 129.269 1.00 0.00 H ATOM 1598 N GLY C 75 27.097 48.583 127.883 1.00 16.92 N ATOM 1599 CA GLY C 75 26.349 49.535 127.067 1.00 15.91 C ATOM 1600 C GLY C 75 24.886 49.567 127.462 1.00 19.32 C ATOM 1601 O GLY C 75 24.517 49.118 128.564 1.00 18.68 O ATOM 1602 H GLY C 75 27.125 47.584 127.597 1.00 0.00 H ATOM 1603 N CYS C 76 24.063 50.210 126.609 1.00 16.57 N ATOM 1604 CA CYS C 76 22.615 50.288 126.817 1.00 14.17 C ATOM 1605 C CYS C 76 21.890 49.558 125.673 1.00 20.98 C ATOM 1606 O CYS C 76 22.388 49.523 124.546 1.00 21.17 O ATOM 1607 CB CYS C 76 22.150 51.739 126.918 1.00 14.26 C ATOM 1608 SG CYS C 76 23.091 52.705 128.133 1.00 16.88 S ATOM 1609 H CYS C 76 24.472 50.669 125.770 1.00 0.00 H ATOM 1610 N ILE C 77 20.699 49.045 125.957 1.00 17.43 N ATOM 1611 CA ILE C 77 19.903 48.283 124.999 1.00 19.11 C ATOM 1612 C ILE C 77 19.246 49.248 123.997 1.00 23.29 C ATOM 1613 O ILE C 77 18.547 50.192 124.406 1.00 22.61 O ATOM 1614 CB ILE C 77 18.833 47.425 125.774 1.00 22.61 C ATOM 1615 CG1 ILE C 77 19.502 46.408 126.752 1.00 23.24 C ATOM 1616 CG2 ILE C 77 17.830 46.737 124.783 1.00 25.31 C ATOM 1617 CD1 ILE C 77 20.472 45.349 126.108 1.00 30.23 C ATOM 1618 H ILE C 77 20.313 49.194 126.911 1.00 0.00 H ATOM 1619 N ASN C 78 19.419 48.969 122.695 1.00 21.81 N ATOM 1620 CA ASN C 78 18.829 49.796 121.636 1.00 22.55 C ATOM 1621 C ASN C 78 17.443 49.282 121.207 1.00 27.88 C ATOM 1622 O ASN C 78 16.968 48.282 121.753 1.00 24.60 O ATOM 1623 CB ASN C 78 19.799 49.968 120.440 1.00 27.28 C ATOM 1624 CG ASN C 78 20.120 48.694 119.685 1.00 33.39 C ATOM 1625 OD1 ASN C 78 19.432 47.681 119.783 1.00 27.30 O ATOM 1626 ND2 ASN C 78 21.216 48.709 118.941 1.00 30.87 N ATOM 1627 HD22 ASN C 78 21.785 49.577 118.871 1.00 0.00 H ATOM 1628 HD21 ASN C 78 21.507 47.853 118.427 1.00 0.00 H ATOM 1629 H ASN C 78 19.989 48.141 122.429 1.00 0.00 H ATOM 1630 N ALA C 79 16.803 49.971 120.232 1.00 30.46 N ATOM 1631 CA ALA C 79 15.461 49.604 119.737 1.00 33.96 C ATOM 1632 C ALA C 79 15.358 48.169 119.185 1.00 40.17 C ATOM 1633 O ALA C 79 14.283 47.577 119.253 1.00 40.65 O ATOM 1634 CB ALA C 79 14.986 50.620 118.706 1.00 35.61 C ATOM 1635 H ALA C 79 17.278 50.796 119.813 1.00 0.00 H ATOM 1636 N ASP C 80 16.490 47.583 118.721 1.00 38.69 N ATOM 1637 CA ASP C 80 16.573 46.198 118.207 1.00 39.12 C ATOM 1638 C ASP C 80 16.810 45.132 119.287 1.00 43.26 C ATOM 1639 O ASP C 80 16.847 43.935 118.982 1.00 45.94 O ATOM 1640 CB ASP C 80 17.652 46.095 117.103 1.00 42.09 C ATOM 1641 CG ASP C 80 17.448 47.042 115.933 1.00 49.50 C ATOM 1642 OD1 ASP C 80 16.286 47.227 115.516 1.00 49.60 O ATOM 1643 OD2 ASP C 80 18.452 47.603 115.442 1.00 57.57 O ATOM 1644 H ASP C 80 17.363 48.148 118.727 1.00 0.00 H ATOM 1645 N GLY C 81 16.983 45.558 120.537 1.00 35.44 N ATOM 1646 CA GLY C 81 17.227 44.634 121.640 1.00 33.17 C ATOM 1647 C GLY C 81 18.688 44.262 121.819 1.00 33.06 C ATOM 1648 O GLY C 81 19.008 43.365 122.596 1.00 35.12 O ATOM 1649 H GLY C 81 16.943 46.579 120.733 1.00 0.00 H ATOM 1650 N ASN C 82 19.590 44.959 121.127 1.00 27.02 N ATOM 1651 CA ASN C 82 21.031 44.690 121.221 1.00 27.72 C ATOM 1652 C ASN C 82 21.755 45.717 122.104 1.00 28.46 C ATOM 1653 O ASN C 82 21.279 46.840 122.283 1.00 28.47 O ATOM 1654 CB ASN C 82 21.652 44.683 119.821 1.00 28.93 C ATOM 1655 CG ASN C 82 21.060 43.605 118.946 1.00 40.68 C ATOM 1656 OD1 ASN C 82 20.783 42.488 119.402 1.00 38.00 O ATOM 1657 ND2 ASN C 82 20.767 43.958 117.713 1.00 35.52 N ATOM 1658 HD22 ASN C 82 21.018 44.907 117.370 1.00 0.00 H ATOM 1659 HD21 ASN C 82 20.284 43.288 117.081 1.00 0.00 H ATOM 1660 H ASN C 82 19.262 45.720 120.499 1.00 0.00 H ATOM 1661 N VAL C 83 22.946 45.338 122.597 1.00 25.18 N ATOM 1662 CA VAL C 83 23.751 46.266 123.401 1.00 22.54 C ATOM 1663 C VAL C 83 24.443 47.277 122.473 1.00 25.85 C ATOM 1664 O VAL C 83 25.152 46.888 121.547 1.00 26.51 O ATOM 1665 CB VAL C 83 24.781 45.546 124.293 1.00 26.16 C ATOM 1666 CG1 VAL C 83 25.550 46.559 125.140 1.00 25.11 C ATOM 1667 CG2 VAL C 83 24.116 44.505 125.190 1.00 26.95 C ATOM 1668 H VAL C 83 23.301 44.379 122.407 1.00 0.00 H ATOM 1669 N ASP C 84 24.226 48.565 122.734 1.00 21.03 N ATOM 1670 CA ASP C 84 24.857 49.691 122.063 1.00 21.42 C ATOM 1671 C ASP C 84 26.025 50.137 122.960 1.00 22.17 C ATOM 1672 O ASP C 84 25.804 50.695 124.030 1.00 20.30 O ATOM 1673 CB ASP C 84 23.843 50.838 121.854 1.00 23.02 C ATOM 1674 CG ASP C 84 24.435 52.127 121.285 1.00 29.46 C ATOM 1675 OD1 ASP C 84 25.637 52.129 120.944 1.00 27.20 O ATOM 1676 OD2 ASP C 84 23.696 53.169 121.251 1.00 32.71 O ATOM 1677 H ASP C 84 23.543 48.786 123.486 1.00 0.00 H ATOM 1678 N TYR C 85 27.273 49.885 122.533 1.00 21.09 N ATOM 1679 CA TYR C 85 28.429 50.234 123.361 1.00 20.93 C ATOM 1680 C TYR C 85 28.860 51.697 123.272 1.00 25.39 C ATOM 1681 O TYR C 85 29.794 52.086 123.993 1.00 25.06 O ATOM 1682 CB TYR C 85 29.612 49.290 123.078 1.00 23.18 C ATOM 1683 CG TYR C 85 29.289 47.855 123.436 1.00 24.99 C ATOM 1684 CD1 TYR C 85 29.386 47.407 124.753 1.00 25.10 C ATOM 1685 CD2 TYR C 85 28.907 46.937 122.456 1.00 26.08 C ATOM 1686 CE1 TYR C 85 29.078 46.091 125.094 1.00 21.80 C ATOM 1687 CE2 TYR C 85 28.596 45.617 122.785 1.00 26.92 C ATOM 1688 CZ TYR C 85 28.685 45.201 124.104 1.00 27.48 C ATOM 1689 OH TYR C 85 28.368 43.901 124.398 1.00 28.11 O ATOM 1690 HH TYR C 85 27.429 43.724 124.138 1.00 0.00 H ATOM 1691 H TYR C 85 27.420 49.438 121.606 1.00 0.00 H ATOM 1692 N HIS C 86 28.149 52.503 122.465 1.00 24.87 N ATOM 1693 CA HIS C 86 28.381 53.949 122.353 1.00 28.04 C ATOM 1694 C HIS C 86 27.683 54.695 123.492 1.00 25.25 C ATOM 1695 O HIS C 86 27.799 55.904 123.587 1.00 26.15 O ATOM 1696 CB HIS C 86 27.935 54.489 120.984 1.00 31.95 C ATOM 1697 CG HIS C 86 28.739 53.950 119.831 1.00 39.09 C ATOM 1698 ND1 HIS C 86 30.006 53.382 120.013 1.00 43.19 N ATOM 1699 CD2 HIS C 86 28.473 53.987 118.505 1.00 43.07 C ATOM 1700 CE1 HIS C 86 30.432 53.053 118.803 1.00 43.76 C ATOM 1701 NE2 HIS C 86 29.543 53.391 117.865 1.00 44.26 N ATOM 1702 H HIS C 86 27.394 52.080 121.889 1.00 0.00 H ATOM 1703 N MET C 87 26.982 53.969 124.367 1.00 17.85 N ATOM 1704 CA MET C 87 26.325 54.531 125.547 1.00 16.36 C ATOM 1705 C MET C 87 26.705 53.641 126.718 1.00 18.48 C ATOM 1706 O MET C 87 27.144 52.500 126.491 1.00 18.38 O ATOM 1707 CB MET C 87 24.797 54.567 125.379 1.00 17.73 C ATOM 1708 CG MET C 87 24.321 55.423 124.196 1.00 20.88 C ATOM 1709 SD MET C 87 24.687 57.162 124.486 1.00 23.42 S ATOM 1710 CE MET C 87 23.441 57.632 125.653 1.00 21.27 C ATOM 1711 H MET C 87 26.899 52.946 124.200 1.00 0.00 H ATOM 1712 N ASN C 88 26.622 54.167 127.942 1.00 15.92 N ATOM 1713 CA ASN C 88 27.044 53.390 129.108 1.00 16.27 C ATOM 1714 C ASN C 88 25.934 53.216 130.128 1.00 16.71 C ATOM 1715 O ASN C 88 25.230 54.179 130.451 1.00 15.51 O ATOM 1716 CB ASN C 88 28.224 54.102 129.820 1.00 20.21 C ATOM 1717 CG ASN C 88 29.552 54.187 129.086 1.00 32.29 C ATOM 1718 OD1 ASN C 88 30.421 54.978 129.437 1.00 34.43 O ATOM 1719 ND2 ASN C 88 29.743 53.413 128.073 1.00 23.41 N ATOM 1720 HD22 ASN C 88 29.001 52.745 127.782 1.00 0.00 H ATOM 1721 HD21 ASN C 88 30.639 53.457 127.547 1.00 0.00 H ATOM 1722 H ASN C 88 26.256 55.132 128.067 1.00 0.00 H ATOM 1723 N SER C 89 25.805 51.998 130.668 1.00 15.62 N ATOM 1724 CA SER C 89 24.913 51.753 131.816 1.00 13.79 C ATOM 1725 C SER C 89 25.776 52.080 133.032 1.00 17.70 C ATOM 1726 O SER C 89 26.896 51.535 133.192 1.00 15.75 O ATOM 1727 CB SER C 89 24.507 50.283 131.913 1.00 12.73 C ATOM 1728 OG SER C 89 23.551 49.891 130.944 1.00 17.35 O ATOM 1729 HG SER C 89 23.923 50.035 130.038 1.00 0.00 H ATOM 1730 H SER C 89 26.347 51.206 130.268 1.00 0.00 H ATOM 1731 N VAL C 90 25.252 52.918 133.926 1.00 14.29 N ATOM 1732 CA VAL C 90 25.936 53.278 135.179 1.00 13.92 C ATOM 1733 C VAL C 90 24.965 53.148 136.361 1.00 16.17 C ATOM 1734 O VAL C 90 23.759 53.450 136.224 1.00 14.00 O ATOM 1735 CB VAL C 90 26.595 54.692 135.126 1.00 16.29 C ATOM 1736 CG1 VAL C 90 27.723 54.756 134.072 1.00 17.41 C ATOM 1737 CG2 VAL C 90 25.535 55.785 134.860 1.00 14.68 C ATOM 1738 H VAL C 90 24.320 53.336 133.730 1.00 0.00 H ATOM 1739 N PRO C 91 25.481 52.748 137.544 1.00 13.85 N ATOM 1740 CA PRO C 91 24.606 52.608 138.704 1.00 13.12 C ATOM 1741 C PRO C 91 24.340 53.957 139.370 1.00 17.86 C ATOM 1742 O PRO C 91 25.239 54.786 139.441 1.00 20.15 O ATOM 1743 CB PRO C 91 25.416 51.698 139.663 1.00 15.71 C ATOM 1744 CG PRO C 91 26.863 52.002 139.322 1.00 19.83 C ATOM 1745 CD PRO C 91 26.874 52.303 137.826 1.00 15.78 C ATOM 1746 N ILE C 92 23.123 54.157 139.834 1.00 14.95 N ATOM 1747 CA ILE C 92 22.712 55.359 140.596 1.00 16.28 C ATOM 1748 C ILE C 92 22.875 54.910 142.076 1.00 19.89 C ATOM 1749 O ILE C 92 22.251 53.925 142.498 1.00 17.77 O ATOM 1750 CB ILE C 92 21.260 55.706 140.259 1.00 21.48 C ATOM 1751 CG1 ILE C 92 21.146 56.237 138.806 1.00 24.53 C ATOM 1752 CG2 ILE C 92 20.668 56.712 141.263 1.00 26.15 C ATOM 1753 CD1 ILE C 92 19.762 56.605 138.435 1.00 33.31 C ATOM 1754 H ILE C 92 22.406 53.425 139.654 1.00 0.00 H ATOM 1755 N GLN C 93 23.705 55.649 142.833 1.00 16.13 N ATOM 1756 CA GLN C 93 24.035 55.269 144.210 1.00 15.17 C ATOM 1757 C GLN C 93 23.647 56.322 145.200 1.00 18.75 C ATOM 1758 O GLN C 93 23.629 57.523 144.879 1.00 19.12 O ATOM 1759 CB GLN C 93 25.530 54.982 144.331 1.00 16.95 C ATOM 1760 CG GLN C 93 26.024 53.845 143.431 1.00 23.41 C ATOM 1761 CD GLN C 93 27.502 53.636 143.547 1.00 33.76 C ATOM 1762 OE1 GLN C 93 28.296 54.514 143.234 1.00 28.67 O ATOM 1763 NE2 GLN C 93 27.909 52.476 144.029 1.00 30.00 N ATOM 1764 HE22 GLN C 93 27.213 51.747 144.287 1.00 0.00 H ATOM 1765 HE21 GLN C 93 28.925 52.291 144.151 1.00 0.00 H ATOM 1766 H GLN C 93 24.124 56.512 142.431 1.00 0.00 H ATOM 1767 N GLN C 94 23.358 55.877 146.422 1.00 15.80 N ATOM 1768 CA GLN C 94 23.152 56.815 147.512 1.00 17.00 C ATOM 1769 C GLN C 94 23.568 56.168 148.802 1.00 18.19 C ATOM 1770 O GLN C 94 23.552 54.953 148.903 1.00 18.27 O ATOM 1771 CB GLN C 94 21.725 57.367 147.577 1.00 18.38 C ATOM 1772 CG GLN C 94 20.653 56.397 148.074 1.00 23.22 C ATOM 1773 CD GLN C 94 19.357 57.142 148.400 1.00 31.41 C ATOM 1774 OE1 GLN C 94 18.358 56.528 148.693 1.00 34.65 O ATOM 1775 NE2 GLN C 94 19.316 58.444 148.266 1.00 33.47 N ATOM 1776 HE22 GLN C 94 20.178 58.968 148.014 1.00 0.00 H ATOM 1777 HE21 GLN C 94 18.421 58.954 148.412 1.00 0.00 H ATOM 1778 H GLN C 94 23.280 54.855 146.596 1.00 0.00 H ATOM 1779 N GLU C 95 23.894 56.988 149.792 1.00 13.52 N ATOM 1780 CA GLU C 95 24.182 56.448 151.108 1.00 13.09 C ATOM 1781 C GLU C 95 22.881 56.345 151.878 1.00 17.46 C ATOM 1782 O GLU C 95 22.026 57.252 151.785 1.00 15.38 O ATOM 1783 CB GLU C 95 25.166 57.351 151.856 1.00 15.27 C ATOM 1784 CG GLU C 95 26.564 57.286 151.266 1.00 18.43 C ATOM 1785 CD GLU C 95 27.620 58.149 151.932 1.00 36.78 C ATOM 1786 OE1 GLU C 95 27.251 59.113 152.641 1.00 20.63 O ATOM 1787 OE2 GLU C 95 28.824 57.860 151.741 1.00 34.09 O ATOM 1788 H GLU C 95 23.943 58.014 149.626 1.00 0.00 H ATOM 1789 N ILE C 96 22.694 55.227 152.573 1.00 14.10 N ATOM 1790 CA ILE C 96 21.502 55.036 153.395 1.00 13.26 C ATOM 1791 C ILE C 96 21.927 54.752 154.848 1.00 13.97 C ATOM 1792 O ILE C 96 23.018 54.235 155.092 1.00 15.53 O ATOM 1793 CB ILE C 96 20.575 53.925 152.869 1.00 15.64 C ATOM 1794 CG1 ILE C 96 21.255 52.538 152.989 1.00 15.92 C ATOM 1795 CG2 ILE C 96 20.095 54.261 151.417 1.00 17.54 C ATOM 1796 CD1 ILE C 96 20.200 51.345 152.809 1.00 19.02 C ATOM 1797 H ILE C 96 23.410 54.474 152.530 1.00 0.00 H ATOM 1798 N LEU C 97 21.029 55.035 155.769 1.00 12.03 N ATOM 1799 CA LEU C 97 21.291 54.805 157.186 1.00 10.56 C ATOM 1800 C LEU C 97 20.751 53.451 157.623 1.00 14.35 C ATOM 1801 O LEU C 97 19.646 53.006 157.228 1.00 13.58 O ATOM 1802 CB LEU C 97 20.604 55.906 158.013 1.00 11.18 C ATOM 1803 CG LEU C 97 21.201 57.308 157.900 1.00 14.59 C ATOM 1804 CD1 LEU C 97 20.409 58.267 158.731 1.00 15.76 C ATOM 1805 CD2 LEU C 97 22.682 57.330 158.394 1.00 13.21 C ATOM 1806 H LEU C 97 20.112 55.431 155.480 1.00 0.00 H ATOM 1807 N VAL C 98 21.561 52.764 158.441 1.00 13.05 N ATOM 1808 CA VAL C 98 21.182 51.493 159.074 1.00 11.75 C ATOM 1809 C VAL C 98 21.685 51.541 160.521 1.00 15.37 C ATOM 1810 O VAL C 98 22.479 52.411 160.879 1.00 15.44 O ATOM 1811 CB VAL C 98 21.726 50.245 158.321 1.00 14.97 C ATOM 1812 CG1 VAL C 98 21.288 50.239 156.840 1.00 14.44 C ATOM 1813 CG2 VAL C 98 23.254 50.155 158.438 1.00 15.34 C ATOM 1814 H VAL C 98 22.506 53.150 158.638 1.00 0.00 H ATOM 1815 N LEU C 99 21.282 50.554 161.319 1.00 13.33 N ATOM 1816 CA LEU C 99 21.725 50.432 162.708 1.00 14.22 C ATOM 1817 C LEU C 99 22.584 49.181 162.834 1.00 18.70 C ATOM 1818 O LEU C 99 22.194 48.116 162.326 1.00 19.25 O ATOM 1819 CB LEU C 99 20.530 50.338 163.649 1.00 15.59 C ATOM 1820 CG LEU C 99 19.539 51.510 163.601 1.00 17.93 C ATOM 1821 CD1 LEU C 99 18.433 51.285 164.622 1.00 20.06 C ATOM 1822 CD2 LEU C 99 20.263 52.846 163.967 1.00 18.80 C ATOM 1823 H LEU C 99 20.626 49.841 160.940 1.00 0.00 H ATOM 1824 N ARG C 100 23.767 49.323 163.466 1.00 15.85 N ATOM 1825 CA ARG C 100 24.720 48.221 163.681 1.00 16.34 C ATOM 1826 C ARG C 100 24.645 47.859 165.178 1.00 18.73 C ATOM 1827 O ARG C 100 24.831 48.734 166.005 1.00 17.30 O ATOM 1828 CB ARG C 100 26.145 48.738 163.359 1.00 21.89 C ATOM 1829 CG ARG C 100 27.280 47.769 163.685 1.00 28.40 C ATOM 1830 CD ARG C 100 27.306 46.490 162.855 1.00 20.82 C ATOM 1831 NE ARG C 100 27.221 46.764 161.418 1.00 20.09 N ATOM 1832 CZ ARG C 100 27.116 45.813 160.495 1.00 27.86 C ATOM 1833 NH1 ARG C 100 27.145 44.534 160.847 1.00 23.92 N ATOM 1834 NH2 ARG C 100 26.982 46.136 159.210 1.00 26.24 N ATOM 1835 HE ARG C 100 27.244 47.755 161.103 1.00 0.00 H ATOM 1836 HH12 ARG C 100 27.063 43.793 160.122 1.00 0.00 H ATOM 1837 HH11 ARG C 100 27.250 44.272 161.848 1.00 0.00 H ATOM 1838 HH22 ARG C 100 26.900 45.388 158.492 1.00 0.00 H ATOM 1839 HH21 ARG C 100 26.959 47.136 158.925 1.00 0.00 H ATOM 1840 H ARG C 100 24.021 50.266 163.823 1.00 0.00 H ATOM 1841 N ARG C 101 24.370 46.596 165.518 1.00 18.33 N ATOM 1842 CA ARG C 101 24.289 46.196 166.928 1.00 18.53 C ATOM 1843 C ARG C 101 25.655 46.423 167.584 1.00 23.62 C ATOM 1844 O ARG C 101 26.680 46.040 167.015 1.00 23.51 O ATOM 1845 CB ARG C 101 23.878 44.721 167.056 1.00 21.93 C ATOM 1846 CG ARG C 101 22.521 44.449 166.447 1.00 20.73 C ATOM 1847 CD ARG C 101 22.091 42.988 166.615 1.00 22.06 C ATOM 1848 NE ARG C 101 20.876 42.766 165.833 1.00 21.07 N ATOM 1849 CZ ARG C 101 19.652 43.128 166.207 1.00 28.35 C ATOM 1850 NH1 ARG C 101 19.443 43.661 167.411 1.00 24.16 N ATOM 1851 NH2 ARG C 101 18.620 42.927 165.396 1.00 22.61 N ATOM 1852 HE ARG C 101 20.976 42.289 164.914 1.00 0.00 H ATOM 1853 HH12 ARG C 101 18.483 43.941 167.696 1.00 0.00 H ATOM 1854 HH11 ARG C 101 20.240 43.796 168.065 1.00 0.00 H ATOM 1855 HH22 ARG C 101 17.664 43.211 165.691 1.00 0.00 H ATOM 1856 HH21 ARG C 101 18.768 42.486 164.466 1.00 0.00 H ATOM 1857 H ARG C 101 24.211 45.887 164.774 1.00 0.00 H ATOM 1858 N GLU C 102 25.665 47.122 168.725 1.00 22.14 N ATOM 1859 CA GLU C 102 26.887 47.446 169.455 1.00 24.49 C ATOM 1860 C GLU C 102 26.563 47.526 170.956 1.00 27.28 C ATOM 1861 O GLU C 102 25.812 48.399 171.345 1.00 25.75 O ATOM 1862 CB GLU C 102 27.519 48.757 168.939 1.00 25.42 C ATOM 1863 CG GLU C 102 28.833 49.103 169.630 1.00 31.34 C ATOM 1864 CD GLU C 102 29.523 50.366 169.142 1.00 43.68 C ATOM 1865 OE1 GLU C 102 29.645 50.536 167.912 1.00 34.87 O ATOM 1866 OE2 GLU C 102 29.976 51.168 169.987 1.00 49.99 O ATOM 1867 H GLU C 102 24.757 47.451 169.111 1.00 0.00 H ATOM 1868 N PRO C 103 27.076 46.622 171.804 1.00 26.06 N ATOM 1869 CA PRO C 103 27.991 45.505 171.512 1.00 26.51 C ATOM 1870 C PRO C 103 27.374 44.494 170.541 1.00 30.18 C ATOM 1871 O PRO C 103 26.144 44.489 170.358 1.00 26.78 O ATOM 1872 CB PRO C 103 28.189 44.842 172.899 1.00 29.07 C ATOM 1873 CG PRO C 103 27.869 45.896 173.884 1.00 33.76 C ATOM 1874 CD PRO C 103 26.771 46.698 173.252 1.00 28.12 C ATOM 1875 N PRO C 104 28.192 43.613 169.925 1.00 29.99 N ATOM 1876 CA PRO C 104 27.620 42.605 169.020 1.00 29.83 C ATOM 1877 C PRO C 104 26.525 41.795 169.699 1.00 28.39 C ATOM 1878 O PRO C 104 26.594 41.534 170.903 1.00 27.84 O ATOM 1879 CB PRO C 104 28.830 41.726 168.652 1.00 33.72 C ATOM 1880 CG PRO C 104 30.002 42.632 168.807 1.00 38.66 C ATOM 1881 CD PRO C 104 29.664 43.474 170.012 1.00 33.86 C ATOM 1882 N HIS C 105 25.478 41.456 168.923 1.00 25.61 N ATOM 1883 CA HIS C 105 24.291 40.679 169.295 1.00 27.79 C ATOM 1884 C HIS C 105 23.338 41.441 170.224 1.00 29.52 C ATOM 1885 O HIS C 105 22.337 40.872 170.665 1.00 28.82 O ATOM 1886 CB HIS C 105 24.646 39.277 169.888 1.00 31.45 C ATOM 1887 CG HIS C 105 25.845 38.618 169.271 1.00 37.09 C ATOM 1888 ND1 HIS C 105 25.885 38.292 167.918 1.00 39.76 N ATOM 1889 CD2 HIS C 105 27.010 38.233 169.846 1.00 40.39 C ATOM 1890 CE1 HIS C 105 27.063 37.711 167.723 1.00 39.90 C ATOM 1891 NE2 HIS C 105 27.778 37.662 168.850 1.00 40.80 N ATOM 1892 H HIS C 105 25.516 41.786 167.938 1.00 0.00 H ATOM 1893 N SER C 106 23.620 42.726 170.517 1.00 25.85 N ATOM 1894 CA SER C 106 22.729 43.473 171.417 1.00 23.61 C ATOM 1895 C SER C 106 21.334 43.652 170.837 1.00 24.53 C ATOM 1896 O SER C 106 21.201 44.074 169.678 1.00 22.37 O ATOM 1897 CB SER C 106 23.304 44.839 171.797 1.00 24.04 C ATOM 1898 OG SER C 106 22.391 45.503 172.658 1.00 24.06 O ATOM 1899 HG SER C 106 22.254 44.960 173.474 1.00 0.00 H ATOM 1900 H SER C 106 24.460 43.185 170.110 1.00 0.00 H ATOM 1901 N PRO C 107 20.289 43.377 171.626 1.00 22.64 N ATOM 1902 CA PRO C 107 18.929 43.598 171.118 1.00 22.50 C ATOM 1903 C PRO C 107 18.455 45.048 171.273 1.00 25.60 C ATOM 1904 O PRO C 107 17.390 45.400 170.763 1.00 24.78 O ATOM 1905 CB PRO C 107 18.081 42.650 171.971 1.00 24.53 C ATOM 1906 CG PRO C 107 18.826 42.519 173.270 1.00 31.28 C ATOM 1907 CD PRO C 107 20.279 42.817 173.003 1.00 26.87 C ATOM 1908 N ASN C 108 19.202 45.886 172.005 1.00 21.39 N ATOM 1909 CA ASN C 108 18.678 47.215 172.318 1.00 21.04 C ATOM 1910 C ASN C 108 19.702 48.335 172.309 1.00 22.02 C ATOM 1911 O ASN C 108 19.433 49.367 172.915 1.00 20.72 O ATOM 1912 CB ASN C 108 18.027 47.136 173.728 1.00 23.75 C ATOM 1913 CG ASN C 108 19.038 46.859 174.819 1.00 26.54 C ATOM 1914 OD1 ASN C 108 20.240 46.665 174.553 1.00 22.05 O ATOM 1915 ND2 ASN C 108 18.621 46.953 176.090 1.00 24.25 N ATOM 1916 HD22 ASN C 108 17.615 47.115 176.296 1.00 0.00 H ATOM 1917 HD21 ASN C 108 19.304 46.864 176.869 1.00 0.00 H ATOM 1918 H ASN C 108 20.141 45.595 172.346 1.00 0.00 H ATOM 1919 N SER C 109 20.879 48.110 171.694 1.00 20.42 N ATOM 1920 CA SER C 109 21.982 49.079 171.705 1.00 20.75 C ATOM 1921 C SER C 109 22.676 49.006 170.333 1.00 21.76 C ATOM 1922 O SER C 109 23.082 47.919 169.885 1.00 20.06 O ATOM 1923 CB SER C 109 22.955 48.719 172.834 1.00 24.62 C ATOM 1924 OG SER C 109 24.030 49.644 172.843 1.00 37.63 O ATOM 1925 HG SER C 109 24.503 49.607 171.974 1.00 0.00 H ATOM 1926 H SER C 109 21.012 47.211 171.189 1.00 0.00 H ATOM 1927 N PHE C 110 22.769 50.153 169.647 1.00 18.04 N ATOM 1928 CA PHE C 110 23.284 50.203 168.275 1.00 16.45 C ATOM 1929 C PHE C 110 24.158 51.425 168.066 1.00 20.15 C ATOM 1930 O PHE C 110 24.140 52.371 168.869 1.00 20.89 O ATOM 1931 CB PHE C 110 22.096 50.341 167.267 1.00 16.93 C ATOM 1932 CG PHE C 110 21.027 49.284 167.353 1.00 17.42 C ATOM 1933 CD1 PHE C 110 19.997 49.383 168.294 1.00 20.55 C ATOM 1934 CD2 PHE C 110 21.057 48.176 166.508 1.00 17.35 C ATOM 1935 CE1 PHE C 110 19.016 48.376 168.396 1.00 22.18 C ATOM 1936 CE2 PHE C 110 20.065 47.182 166.595 1.00 20.26 C ATOM 1937 CZ PHE C 110 19.057 47.283 167.532 1.00 20.01 C ATOM 1938 H PHE C 110 22.466 51.037 170.103 1.00 0.00 H ATOM 1939 N ARG C 111 24.839 51.431 166.941 1.00 17.79 N ATOM 1940 CA ARG C 111 25.560 52.580 166.431 1.00 18.02 C ATOM 1941 C ARG C 111 24.963 52.872 165.051 1.00 18.46 C ATOM 1942 O ARG C 111 24.722 51.959 164.267 1.00 18.02 O ATOM 1943 CB ARG C 111 27.078 52.336 166.317 1.00 18.96 C ATOM 1944 CG ARG C 111 27.821 53.627 165.828 1.00 23.03 C ATOM 1945 CD ARG C 111 29.317 53.454 165.744 1.00 30.52 C ATOM 1946 NE ARG C 111 29.898 53.149 167.054 1.00 28.49 N ATOM 1947 CZ ARG C 111 30.328 54.060 167.917 1.00 39.20 C ATOM 1948 NH1 ARG C 111 30.241 55.352 167.627 1.00 29.74 N ATOM 1949 NH2 ARG C 111 30.851 53.687 169.077 1.00 30.05 N ATOM 1950 HE ARG C 111 29.979 52.149 167.326 1.00 0.00 H ATOM 1951 HH12 ARG C 111 30.580 56.062 168.308 1.00 0.00 H ATOM 1952 HH11 ARG C 111 29.834 55.655 166.719 1.00 0.00 H ATOM 1953 HH22 ARG C 111 31.187 54.405 169.751 1.00 0.00 H ATOM 1954 HH21 ARG C 111 30.925 52.677 169.313 1.00 0.00 H ATOM 1955 H ARG C 111 24.862 50.555 166.381 1.00 0.00 H ATOM 1956 N LEU C 112 24.766 54.150 164.754 1.00 14.77 N ATOM 1957 CA LEU C 112 24.267 54.578 163.461 1.00 14.56 C ATOM 1958 C LEU C 112 25.370 54.315 162.442 1.00 18.23 C ATOM 1959 O LEU C 112 26.547 54.558 162.733 1.00 18.86 O ATOM 1960 CB LEU C 112 23.915 56.082 163.531 1.00 15.14 C ATOM 1961 CG LEU C 112 23.144 56.635 162.327 1.00 18.64 C ATOM 1962 CD1 LEU C 112 21.809 55.864 162.113 1.00 17.48 C ATOM 1963 CD2 LEU C 112 22.865 58.157 162.512 1.00 19.82 C ATOM 1964 H LEU C 112 24.977 54.870 165.474 1.00 0.00 H ATOM 1965 N GLU C 113 24.997 53.819 161.267 1.00 14.32 N ATOM 1966 CA GLU C 113 25.959 53.453 160.231 1.00 15.34 C ATOM 1967 C GLU C 113 25.431 53.920 158.884 1.00 17.32 C ATOM 1968 O GLU C 113 24.210 53.968 158.670 1.00 16.56 O ATOM 1969 CB GLU C 113 26.115 51.916 160.228 1.00 17.56 C ATOM 1970 CG GLU C 113 27.076 51.299 159.225 1.00 27.09 C ATOM 1971 CD GLU C 113 27.301 49.815 159.506 1.00 33.16 C ATOM 1972 OE1 GLU C 113 27.868 49.499 160.575 1.00 28.91 O ATOM 1973 OE2 GLU C 113 26.860 48.970 158.692 1.00 33.44 O ATOM 1974 H GLU C 113 23.983 53.687 161.078 1.00 0.00 H ATOM 1975 N LYS C 114 26.346 54.221 157.971 1.00 14.86 N ATOM 1976 CA LYS C 114 25.933 54.588 156.604 1.00 15.18 C ATOM 1977 C LYS C 114 26.528 53.600 155.635 1.00 18.78 C ATOM 1978 O LYS C 114 27.676 53.155 155.832 1.00 19.64 O ATOM 1979 CB LYS C 114 26.236 56.038 156.246 1.00 17.17 C ATOM 1980 CG LYS C 114 27.716 56.401 156.232 1.00 20.14 C ATOM 1981 CD LYS C 114 27.957 57.846 155.811 1.00 27.63 C ATOM 1982 CE LYS C 114 29.414 58.032 155.490 1.00 33.44 C ATOM 1983 NZ LYS C 114 29.815 59.450 155.661 1.00 50.75 N ATOM 1984 HZ1 LYS C 114 29.252 60.048 155.023 1.00 0.00 H ATOM 1985 HZ2 LYS C 114 29.649 59.740 156.646 1.00 0.00 H ATOM 1986 HZ3 LYS C 114 30.825 59.553 155.434 1.00 0.00 H ATOM 1987 H LYS C 114 27.355 54.198 158.220 1.00 0.00 H ATOM 1988 N ILE C 115 25.745 53.236 154.612 1.00 16.20 N ATOM 1989 CA ILE C 115 26.141 52.285 153.571 1.00 17.12 C ATOM 1990 C ILE C 115 25.869 52.901 152.216 1.00 18.08 C ATOM 1991 O ILE C 115 24.802 53.494 152.014 1.00 18.33 O ATOM 1992 CB ILE C 115 25.355 50.954 153.739 1.00 20.25 C ATOM 1993 CG1 ILE C 115 25.598 50.344 155.143 1.00 21.83 C ATOM 1994 CG2 ILE C 115 25.702 49.943 152.616 1.00 23.30 C ATOM 1995 CD1 ILE C 115 24.836 49.066 155.389 1.00 31.90 C ATOM 1996 H ILE C 115 24.795 53.655 154.553 1.00 0.00 H ATOM 1997 N LEU C 116 26.788 52.706 151.273 1.00 16.53 N ATOM 1998 CA LEU C 116 26.609 53.185 149.892 1.00 16.29 C ATOM 1999 C LEU C 116 25.967 52.038 149.139 1.00 19.26 C ATOM 2000 O LEU C 116 26.534 50.920 149.099 1.00 20.27 O ATOM 2001 CB LEU C 116 27.964 53.565 149.273 1.00 18.61 C ATOM 2002 CG LEU C 116 27.927 54.083 147.832 1.00 22.82 C ATOM 2003 CD1 LEU C 116 27.251 55.453 147.735 1.00 21.68 C ATOM 2004 CD2 LEU C 116 29.350 54.159 147.269 1.00 24.76 C ATOM 2005 H LEU C 116 27.662 52.198 151.520 1.00 0.00 H ATOM 2006 N VAL C 117 24.759 52.283 148.631 1.00 14.67 N ATOM 2007 CA VAL C 117 23.944 51.281 147.928 1.00 15.69 C ATOM 2008 C VAL C 117 23.683 51.727 146.487 1.00 19.33 C ATOM 2009 O VAL C 117 23.484 52.928 146.249 1.00 19.88 O ATOM 2010 CB VAL C 117 22.609 50.953 148.656 1.00 19.41 C ATOM 2011 CG1 VAL C 117 22.836 50.479 150.098 1.00 19.38 C ATOM 2012 CG2 VAL C 117 21.616 52.109 148.644 1.00 20.01 C ATOM 2013 H VAL C 117 24.369 53.241 148.738 1.00 0.00 H ATOM 2014 N SER C 118 23.623 50.756 145.560 1.00 15.39 N ATOM 2015 CA SER C 118 23.254 51.030 144.156 1.00 15.09 C ATOM 2016 C SER C 118 21.791 50.634 144.071 1.00 16.38 C ATOM 2017 O SER C 118 21.420 49.489 144.369 1.00 15.43 O ATOM 2018 CB SER C 118 24.091 50.181 143.194 1.00 17.85 C ATOM 2019 OG SER C 118 25.467 50.516 143.261 1.00 24.37 O ATOM 2020 HG SER C 118 25.975 49.949 142.628 1.00 0.00 H ATOM 2021 H SER C 118 23.844 49.779 145.840 1.00 0.00 H ATOM 2022 N VAL C 119 20.971 51.592 143.664 1.00 12.15 N ATOM 2023 CA VAL C 119 19.525 51.476 143.620 1.00 10.27 C ATOM 2024 C VAL C 119 18.975 51.009 142.255 1.00 15.71 C ATOM 2025 O VAL C 119 17.862 50.499 142.159 1.00 15.89 O ATOM 2026 CB VAL C 119 18.903 52.826 144.075 1.00 11.35 C ATOM 2027 CG1 VAL C 119 17.474 52.608 144.530 1.00 10.72 C ATOM 2028 CG2 VAL C 119 19.747 53.507 145.190 1.00 10.22 C ATOM 2029 H VAL C 119 21.393 52.490 143.354 1.00 0.00 H ATOM 2030 N GLY C 120 19.727 51.273 141.204 1.00 14.70 N ATOM 2031 CA GLY C 120 19.344 50.905 139.852 1.00 14.92 C ATOM 2032 C GLY C 120 20.359 51.491 138.921 1.00 15.91 C ATOM 2033 O GLY C 120 21.347 52.050 139.375 1.00 17.66 O ATOM 2034 H GLY C 120 20.632 51.765 141.349 1.00 0.00 H ATOM 2035 N CYS C 121 20.131 51.365 137.629 1.00 12.66 N ATOM 2036 CA CYS C 121 21.060 51.905 136.654 1.00 12.24 C ATOM 2037 C CYS C 121 20.360 52.858 135.709 1.00 14.08 C ATOM 2038 O CYS C 121 19.144 52.764 135.501 1.00 14.00 O ATOM 2039 CB CYS C 121 21.755 50.789 135.891 1.00 13.23 C ATOM 2040 SG CYS C 121 22.688 49.680 136.974 1.00 16.41 S ATOM 2041 H CYS C 121 19.275 50.872 137.304 1.00 0.00 H ATOM 2042 N THR C 122 21.140 53.760 135.151 1.00 11.32 N ATOM 2043 CA THR C 122 20.704 54.707 134.135 1.00 11.41 C ATOM 2044 C THR C 122 21.667 54.626 132.928 1.00 14.54 C ATOM 2045 O THR C 122 22.735 53.989 133.002 1.00 14.12 O ATOM 2046 CB THR C 122 20.563 56.104 134.740 1.00 10.89 C ATOM 2047 OG1 THR C 122 19.750 56.928 133.869 1.00 11.77 O ATOM 2048 CG2 THR C 122 21.974 56.796 134.958 1.00 13.76 C ATOM 2049 HG1 THR C 122 19.660 57.832 134.262 1.00 0.00 H ATOM 2050 H THR C 122 22.133 53.799 135.456 1.00 0.00 H ATOM 2051 N CYS C 123 21.246 55.229 131.802 1.00 11.52 N ATOM 2052 CA CYS C 123 22.065 55.156 130.598 1.00 13.09 C ATOM 2053 C CYS C 123 22.616 56.538 130.337 1.00 15.97 C ATOM 2054 O CYS C 123 21.845 57.497 130.263 1.00 17.24 O ATOM 2055 CB CYS C 123 21.253 54.651 129.422 1.00 13.83 C ATOM 2056 SG CYS C 123 22.203 54.548 127.887 1.00 17.25 S ATOM 2057 H CYS C 123 20.342 55.744 131.790 1.00 0.00 H ATOM 2058 N VAL C 124 23.939 56.655 130.245 1.00 13.48 N ATOM 2059 CA VAL C 124 24.584 57.967 130.036 1.00 15.81 C ATOM 2060 C VAL C 124 25.426 58.042 128.766 1.00 19.75 C ATOM 2061 O VAL C 124 25.976 57.017 128.285 1.00 18.34 O ATOM 2062 CB VAL C 124 25.459 58.385 131.275 1.00 19.07 C ATOM 2063 CG1 VAL C 124 24.621 58.496 132.570 1.00 18.12 C ATOM 2064 CG2 VAL C 124 26.652 57.426 131.484 1.00 19.93 C ATOM 2065 H VAL C 124 24.531 55.804 130.322 1.00 0.00 H ATOM 2066 N THR C 125 25.573 59.259 128.233 1.00 18.93 N ATOM 2067 CA THR C 125 26.447 59.514 127.096 1.00 19.58 C ATOM 2068 C THR C 125 27.877 59.439 127.676 1.00 24.28 C ATOM 2069 O THR C 125 28.117 60.003 128.742 1.00 24.58 O ATOM 2070 CB THR C 125 26.125 60.894 126.514 1.00 25.72 C ATOM 2071 OG1 THR C 125 24.730 60.949 126.222 1.00 28.27 O ATOM 2072 CG2 THR C 125 26.944 61.211 125.276 1.00 24.12 C ATOM 2073 HG1 THR C 125 24.508 61.837 125.845 1.00 0.00 H ATOM 2074 H THR C 125 25.044 60.053 128.646 1.00 0.00 H ATOM 2075 N PRO C 126 28.800 58.678 127.059 1.00 24.90 N ATOM 2076 CA PRO C 126 30.155 58.543 127.635 1.00 27.92 C ATOM 2077 C PRO C 126 30.985 59.819 127.534 1.00 37.05 C ATOM 2078 O PRO C 126 30.662 60.715 126.766 1.00 37.28 O ATOM 2079 CB PRO C 126 30.816 57.441 126.764 1.00 30.65 C ATOM 2080 CG PRO C 126 29.700 56.819 126.002 1.00 35.28 C ATOM 2081 CD PRO C 126 28.683 57.907 125.812 1.00 29.14 C ATOM 2082 N ILE C 127 32.045 59.887 128.324 1.00 38.75 N ATOM 2083 CA ILE C 127 33.005 60.983 128.239 1.00 42.91 C ATOM 2084 C ILE C 127 34.006 60.556 127.137 1.00 52.86 C ATOM 2085 O ILE C 127 34.824 59.649 127.358 1.00 53.45 O ATOM 2086 CB ILE C 127 33.690 61.262 129.603 1.00 46.94 C ATOM 2087 CG1 ILE C 127 32.654 61.592 130.747 1.00 45.36 C ATOM 2088 CG2 ILE C 127 34.780 62.343 129.439 1.00 50.25 C ATOM 2089 CD1 ILE C 127 31.867 62.990 130.722 1.00 44.94 C ATOM 2090 H ILE C 127 32.198 59.136 129.027 1.00 0.00 H ATOM 2091 N VAL C 128 33.852 61.132 125.922 1.00 53.20 N ATOM 2092 CA VAL C 128 34.714 60.847 124.772 1.00 56.06 C ATOM 2093 C VAL C 128 35.099 62.153 124.065 1.00 63.65 C ATOM 2094 O VAL C 128 34.223 62.906 123.626 1.00 64.00 O ATOM 2095 CB VAL C 128 34.188 59.748 123.794 1.00 60.28 C ATOM 2096 CG1 VAL C 128 34.598 58.352 124.257 1.00 60.12 C ATOM 2097 CG2 VAL C 128 32.678 59.827 123.592 1.00 59.10 C ATOM 2098 H VAL C 128 33.078 61.816 125.798 1.00 0.00 H ATOM 2099 N HIS C 129 36.417 62.428 123.999 1.00 61.58 N ATOM 2100 CA HIS C 129 36.995 63.634 123.396 1.00 63.29 C ATOM 2101 C HIS C 129 37.255 63.467 121.905 1.00 69.59 C ATOM 2102 O HIS C 129 37.832 62.460 121.488 1.00 68.79 O ATOM 2103 CB HIS C 129 38.311 64.021 124.102 1.00 65.31 C ATOM 2104 CG HIS C 129 38.195 64.041 125.587 1.00 67.79 C ATOM 2105 ND1 HIS C 129 37.703 65.147 126.254 1.00 69.24 N ATOM 2106 CD2 HIS C 129 38.446 63.061 126.485 1.00 68.94 C ATOM 2107 CE1 HIS C 129 37.683 64.811 127.529 1.00 68.14 C ATOM 2108 NE2 HIS C 129 38.120 63.565 127.717 1.00 68.20 N ATOM 2109 H HIS C 129 37.074 61.732 124.407 1.00 0.00 H ATOM 2110 N HIS C 130 36.860 64.482 121.112 1.00 68.90 N ATOM 2111 CA HIS C 130 37.059 64.524 119.663 1.00 70.19 C ATOM 2112 C HIS C 130 38.381 65.251 119.366 1.00 77.52 C ATOM 2113 O HIS C 130 38.400 66.334 118.766 1.00 78.48 O ATOM 2114 CB HIS C 130 35.851 65.177 118.961 1.00 70.54 C ATOM 2115 H HIS C 130 36.382 65.290 121.560 1.00 0.00 H ATOM 2116 N VAL C 131 39.490 64.636 119.823 1.00 75.15 N ATOM 2117 CA VAL C 131 40.860 65.124 119.671 1.00100.45 C ATOM 2118 C VAL C 131 41.544 64.427 118.499 1.00127.20 C ATOM 2119 O VAL C 131 42.426 65.001 117.867 1.00 91.25 O ATOM 2120 CB VAL C 131 41.653 64.921 120.976 1.00104.64 C ATOM 2121 H VAL C 131 39.360 63.736 120.328 1.00 0.00 H TER 2122 VAL C 131 HETATM 2123 O HOH 1 17.232 55.078 126.945 1.00 29.32 O HETATM 2124 O HOH 2 7.497 60.925 165.665 1.00 40.70 O HETATM 2125 O HOH 3 19.921 71.290 158.151 1.00 20.59 O HETATM 2126 O HOH 4 8.893 62.918 143.194 1.00 34.36 O HETATM 2127 O HOH 5 9.534 59.858 146.429 1.00 29.74 O HETATM 2128 O HOH 6 9.134 66.081 156.785 1.00 52.21 O HETATM 2129 O HOH 7 27.347 69.045 139.077 1.00 51.14 O HETATM 2130 O HOH 8 19.858 75.344 157.672 1.00 44.01 O HETATM 2131 O HOH 9 16.182 53.542 122.663 1.00 34.57 O HETATM 2132 O HOH 10 7.763 56.588 162.239 1.00 28.83 O HETATM 2133 O HOH 11 20.862 64.066 128.526 1.00 37.41 O HETATM 2134 O HOH 12 9.171 70.464 160.959 1.00 33.06 O HETATM 2135 O HOH 13 30.868 63.376 168.571 1.00 45.63 O HETATM 2136 O HOH 14 12.922 62.923 148.835 1.00 29.27 O HETATM 2137 O HOH 15 30.937 56.516 135.518 1.00 44.67 O HETATM 2138 O HOH 16 31.955 59.913 163.915 1.00 50.89 O HETATM 2139 O HOH 17 21.363 67.513 130.127 1.00 37.11 O HETATM 2140 O HOH 18 17.967 49.754 149.938 1.00 39.97 O HETATM 2141 O HOH 19 18.607 56.506 130.895 1.00 13.29 O HETATM 2142 O HOH 20 34.319 64.025 136.727 1.00 42.16 O HETATM 2143 O HOH 21 25.586 61.271 162.673 1.00 22.16 O HETATM 2144 O HOH 22 9.167 66.385 165.697 1.00 27.69 O HETATM 2145 O HOH 23 14.519 50.401 144.622 1.00 31.81 O HETATM 2146 O HOH 24 22.128 62.904 122.790 1.00 36.01 O HETATM 2147 O HOH 25 7.320 49.647 153.216 1.00 43.01 O HETATM 2148 O HOH 26 9.262 65.435 136.997 1.00 35.32 O HETATM 2149 O HOH 27 6.731 54.813 151.845 1.00 48.67 O HETATM 2150 O HOH 28 11.611 72.747 164.504 1.00 46.03 O HETATM 2151 O HOH 29 5.245 47.351 123.992 1.00 81.77 O HETATM 2152 O HOH 30 9.307 52.085 122.099 1.00 40.81 O HETATM 2153 O HOH 31 28.327 55.081 139.407 1.00 50.12 O HETATM 2154 O HOH 32 9.162 53.695 141.559 1.00 43.63 O HETATM 2155 O HOH 33 7.996 69.367 172.397 1.00 38.58 O HETATM 2156 O HOH 34 18.497 76.571 155.024 1.00 68.95 O HETATM 2157 O HOH 35 17.925 67.719 162.571 1.00 21.06 O HETATM 2158 O HOH 36 -1.311 41.326 119.585 1.00 34.97 O HETATM 2159 O HOH 37 29.607 51.440 156.928 1.00 52.39 O HETATM 2160 O HOH 38 19.180 69.872 137.020 1.00 44.47 O HETATM 2161 O HOH 39 4.061 52.374 130.044 1.00 42.38 O HETATM 2162 O HOH 40 17.565 67.712 129.264 1.00 26.34 O HETATM 2163 O HOH 41 14.010 62.900 131.860 1.00 15.88 O HETATM 2164 O HOH 42 7.788 59.408 162.696 1.00 41.15 O HETATM 2165 O HOH 43 11.435 56.322 173.605 1.00 31.27 O HETATM 2166 O HOH 44 18.691 62.918 149.558 1.00 22.28 O HETATM 2167 O HOH 45 9.987 68.155 123.063 1.00 32.58 O HETATM 2168 O HOH 46 16.954 60.893 147.989 1.00 66.80 O HETATM 2169 O HOH 47 11.658 52.545 141.597 1.00 29.93 O HETATM 2170 O HOH 48 8.888 61.503 133.425 1.00 26.97 O HETATM 2171 O HOH 49 9.607 37.534 171.864 1.00 54.81 O HETATM 2172 O HOH 50 8.844 56.589 172.308 1.00 39.28 O HETATM 2173 O HOH 51 14.358 59.031 118.579 1.00 50.60 O HETATM 2174 O HOH 52 5.735 44.170 168.491 1.00 69.91 O HETATM 2175 O HOH 53 5.514 56.372 125.760 1.00 36.79 O HETATM 2176 O HOH 54 19.030 57.784 119.341 1.00 46.78 O HETATM 2177 O HOH 55 11.653 68.587 173.294 1.00 43.90 O HETATM 2178 O HOH 56 13.322 65.382 175.186 1.00 37.77 O HETATM 2179 O HOH 57 18.938 56.858 155.107 1.00 15.00 O HETATM 2180 O HOH 58 -0.056 42.798 124.876 1.00 35.73 O HETATM 2181 O HOH 59 20.797 59.355 123.481 1.00 32.75 O HETATM 2182 O HOH 60 13.613 49.490 176.274 1.00 30.35 O HETATM 2183 O HOH 61 11.966 54.697 120.183 1.00 58.45 O HETATM 2184 O HOH 62 10.034 71.296 156.511 1.00 38.66 O HETATM 2185 O HOH 63 10.528 62.065 149.803 1.00 53.58 O HETATM 2186 O HOH 64 10.954 65.819 120.284 1.00 37.46 O HETATM 2187 O HOH 65 8.058 62.064 156.677 1.00 50.71 O HETATM 2188 O HOH 66 18.444 70.269 139.621 1.00 46.75 O HETATM 2189 O HOH 67 7.380 59.046 131.493 1.00 36.15 O HETATM 2190 O HOH 68 12.513 67.402 148.089 1.00 53.84 O HETATM 2191 O HOH 69 30.736 60.066 139.116 1.00 63.92 O HETATM 2192 O HOH 70 11.875 60.661 175.582 1.00 29.68 O HETATM 2193 O HOH 71 12.668 57.810 171.749 1.00 26.04 O HETATM 2194 O HOH 72 7.927 66.719 162.952 1.00 31.63 O HETATM 2195 O HOH 73 8.884 61.189 119.833 1.00 26.92 O HETATM 2196 O HOH 74 31.784 59.037 134.593 1.00 50.68 O HETATM 2197 O HOH 75 17.729 61.962 145.608 1.00 40.86 O HETATM 2198 O HOH 76 9.760 62.458 138.277 1.00 21.81 O HETATM 2199 O HOH 77 29.980 62.187 164.594 1.00 34.95 O HETATM 2200 O HOH 78 10.184 61.640 141.055 1.00 30.09 O HETATM 2201 O HOH 79 10.189 63.687 156.145 1.00 45.59 O HETATM 2202 O HOH 80 7.214 63.927 166.644 1.00 41.42 O HETATM 2203 O HOH 81 21.752 60.381 142.061 1.00 34.76 O HETATM 2204 O HOH 82 30.636 47.900 160.627 1.00 55.24 O HETATM 2205 O HOH 83 14.609 71.028 166.479 1.00 48.26 O HETATM 2206 O HOH 84 7.534 58.948 152.029 1.00 32.78 O HETATM 2207 O HOH 85 14.515 69.201 121.483 1.00 48.77 O HETATM 2208 O HOH 86 15.471 72.775 145.393 1.00 26.37 O HETATM 2209 O HOH 87 15.155 63.594 116.860 1.00 42.71 O HETATM 2210 O HOH 88 8.463 64.795 134.406 1.00 37.07 O HETATM 2211 O HOH 89 7.003 59.449 126.707 1.00 33.20 O HETATM 2212 O HOH 90 4.338 58.056 121.345 1.00 61.13 O HETATM 2213 O HOH 91 7.554 56.394 158.901 1.00 32.75 O HETATM 2214 O HOH 92 33.628 56.881 158.036 1.00 61.93 O HETATM 2215 O HOH 93 1.350 43.526 122.609 1.00 43.67 O HETATM 2216 O HOH 94 21.569 63.052 141.594 1.00 23.78 O HETATM 2217 O HOH 95 27.482 66.177 133.911 1.00 46.84 O HETATM 2218 O HOH 96 23.810 64.100 116.885 1.00 60.01 O HETATM 2219 O HOH 97 28.492 61.058 162.568 1.00 25.85 O HETATM 2220 O HOH 98 5.813 58.095 144.231 1.00 50.52 O HETATM 2221 O HOH 99 12.394 67.520 121.801 1.00 36.71 O HETATM 2222 O HOH 100 5.933 72.299 168.560 1.00 66.36 O HETATM 2223 O HOH 101 6.021 65.680 141.324 1.00 42.97 O HETATM 2224 O HOH 102 8.266 48.904 157.808 1.00 38.01 O HETATM 2225 O HOH 103 29.903 62.335 171.179 1.00 56.85 O HETATM 2226 O HOH 104 24.121 62.320 139.357 1.00 24.13 O HETATM 2227 O HOH 105 9.020 66.661 146.241 1.00 45.05 O HETATM 2228 O HOH 106 16.709 49.436 146.255 1.00 38.79 O HETATM 2229 O HOH 107 -0.501 41.708 167.500 1.00 52.67 O HETATM 2230 O HOH 108 -8.395 46.334 119.108 1.00 48.95 O HETATM 2231 O HOH 109 7.938 47.160 127.901 1.00 22.69 O HETATM 2232 O HOH 110 5.365 55.401 143.951 1.00 74.79 O HETATM 2233 O HOH 111 3.921 59.775 167.727 1.00 59.54 O HETATM 2234 O HOH 112 22.671 71.507 150.462 1.00 35.75 O HETATM 2235 O HOH 113 12.659 70.755 141.511 1.00 44.73 O HETATM 2236 O HOH 114 5.856 50.025 150.972 1.00 59.52 O HETATM 2237 O HOH 115 30.536 57.244 132.041 1.00 35.05 O HETATM 2238 O HOH 116 -0.159 40.290 172.169 1.00 55.64 O HETATM 2239 O HOH 117 17.827 59.803 117.069 1.00 51.76 O HETATM 2240 O HOH 118 13.737 46.468 126.947 1.00 49.11 O HETATM 2241 O HOH 119 3.357 56.802 129.088 1.00 67.53 O HETATM 2242 O HOH 120 3.528 39.171 173.666 1.00 54.79 O HETATM 2243 O HOH 121 13.545 49.802 123.223 1.00 56.90 O HETATM 2244 O HOH 122 20.345 65.883 175.763 1.00 39.67 O HETATM 2245 O HOH 123 -2.731 48.464 117.942 1.00 69.49 O HETATM 2246 O HOH 124 35.384 61.258 136.375 1.00 60.78 O HETATM 2247 O HOH 125 4.790 53.294 170.389 1.00 33.84 O HETATM 2248 O HOH 126 14.311 72.234 138.369 1.00 47.96 O HETATM 2249 O HOH 127 10.206 72.166 159.085 1.00 80.85 O HETATM 2250 O HOH 128 6.790 59.874 116.156 1.00 72.48 O HETATM 2251 O HOH 129 22.422 75.610 153.976 1.00 35.52 O HETATM 2252 O HOH 130 17.925 70.376 129.520 1.00 53.84 O HETATM 2253 O HOH 131 6.505 56.984 140.314 1.00 58.34 O HETATM 2254 O HOH 132 31.175 49.813 163.828 1.00 50.60 O HETATM 2255 O HOH 133 2.733 46.106 171.803 1.00 62.43 O HETATM 2256 O HOH 134 6.658 66.541 157.884 1.00 67.46 O HETATM 2257 O HOH 135 20.715 71.227 130.740 1.00 56.85 O HETATM 2258 O HOH 136 9.415 63.944 148.148 1.00 46.89 O HETATM 2259 O HOH 137 25.722 66.808 129.401 1.00 53.71 O HETATM 2260 O HOH 138 18.797 71.743 133.115 1.00 55.18 O HETATM 2261 O HOH 139 -1.430 41.183 175.658 1.00 76.47 O HETATM 2262 O HOH 140 19.864 76.021 149.179 1.00 51.93 O HETATM 2263 O HOH 141 12.526 63.403 117.407 1.00 64.21 O HETATM 2264 O HOH 142 31.953 60.594 171.880 1.00 52.07 O HETATM 2265 O HOH 143 5.498 55.323 133.238 1.00 54.57 O HETATM 2266 O HOH 144 16.682 68.887 125.784 1.00 54.10 O HETATM 2267 O HOH 145 29.741 61.201 160.178 1.00 42.71 O HETATM 2268 O HOH 146 5.595 53.071 142.389 1.00 62.42 O HETATM 2269 O HOH 147 4.241 59.364 129.470 1.00 39.43 O HETATM 2270 O HOH 148 20.512 67.101 125.540 1.00 43.80 O HETATM 2271 O HOH 149 8.461 61.178 136.082 1.00 39.50 O HETATM 2272 O HOH 150 8.030 51.211 147.741 1.00 56.32 O HETATM 2273 O HOH 151 6.053 60.506 133.372 1.00 45.19 O HETATM 2274 O HOH 152 16.592 71.702 131.596 1.00 34.47 O HETATM 2275 O HOH 153 19.672 66.431 128.061 1.00 27.88 O HETATM 2276 O HOH 154 8.778 72.278 173.105 1.00 60.34 O HETATM 2277 O HOH 155 15.169 71.037 129.358 1.00 66.17 O HETATM 2278 O HOH 156 5.543 70.752 170.799 1.00 61.78 O HETATM 2279 O HOH 157 8.275 45.122 125.675 1.00 51.55 O HETATM 2280 O HOH 158 11.574 65.239 149.449 1.00 37.36 O HETATM 2281 O HOH 159 18.730 74.626 146.914 1.00 54.24 O HETATM 2282 O HOH 160 7.191 69.194 162.454 1.00 38.53 O HETATM 2283 O HOH 161 -4.457 49.060 115.619 1.00 86.23 O HETATM 2284 O HOH 162 6.479 58.309 136.254 1.00 62.30 O HETATM 2285 O HOH 163 8.017 49.734 122.593 1.00 57.83 O HETATM 2286 O HOH 164 9.605 63.169 152.286 1.00 46.53 O HETATM 2287 O HOH 165 22.408 65.668 124.239 1.00 57.08 O HETATM 2288 O HOH 166 13.301 50.764 140.104 1.00 31.37 O HETATM 2289 O HOH 167 14.553 58.031 115.839 1.00 64.75 O HETATM 2290 O HOH 168 7.772 68.187 175.037 1.00 46.03 O HETATM 2291 O HOH 169 20.375 77.727 156.638 1.00 51.86 O HETATM 2292 O HOH 170 11.942 72.863 173.165 1.00 76.32 O HETATM 2293 O HOH 171 23.058 68.517 126.750 1.00 69.97 O HETATM 2294 O HOH 172 14.011 77.007 145.368 1.00 59.17 O HETATM 2295 O HOH 173 11.056 71.970 176.312 1.00 52.39 O HETATM 2296 O HOH 174 5.925 69.948 176.241 1.00 63.57 O HETATM 2297 O HOH 175 34.360 43.638 161.348 1.00 80.06 O HETATM 2298 O HOH 176 24.327 72.505 153.711 1.00 39.83 O HETATM 2299 O HOH 177 27.242 68.179 162.461 1.00 38.90 O HETATM 2300 O HOH 178 21.013 73.545 155.486 1.00 26.57 O HETATM 2301 O HOH 179 20.605 70.074 164.822 1.00 43.63 O HETATM 2302 O HOH 180 29.376 63.912 147.390 1.00 30.19 O HETATM 2303 O HOH 181 23.506 64.929 141.746 1.00 42.06 O HETATM 2304 O HOH 182 25.643 60.667 142.939 1.00 53.94 O HETATM 2305 O HOH 183 20.704 62.878 144.776 1.00 48.41 O HETATM 2306 O HOH 184 23.353 69.388 152.154 1.00 19.26 O HETATM 2307 O HOH 185 30.726 68.124 156.294 1.00 32.29 O HETATM 2308 O HOH 186 20.754 63.197 147.792 1.00 26.43 O HETATM 2309 O HOH 187 20.388 67.366 160.897 1.00 18.06 O HETATM 2310 O HOH 188 29.684 69.244 151.251 1.00 34.13 O HETATM 2311 O HOH 189 26.558 58.901 146.129 1.00 53.08 O HETATM 2312 O HOH 190 29.056 67.606 167.393 1.00 46.13 O HETATM 2313 O HOH 191 32.132 66.898 154.397 1.00 34.68 O HETATM 2314 O HOH 192 30.693 65.072 164.739 1.00 50.97 O HETATM 2315 O HOH 193 26.917 70.057 149.642 1.00 32.27 O HETATM 2316 O HOH 194 29.040 68.115 148.676 1.00 36.85 O HETATM 2317 O HOH 195 30.992 64.615 157.326 1.00 35.59 O HETATM 2318 O HOH 196 24.796 69.759 147.803 1.00 22.81 O HETATM 2319 O HOH 197 31.091 63.207 149.400 1.00 51.91 O HETATM 2320 O HOH 198 31.963 67.827 161.636 1.00 37.95 O HETATM 2321 O HOH 199 28.995 61.401 146.414 1.00 39.98 O HETATM 2322 O HOH 200 29.274 49.319 165.665 1.00 40.70 O HETATM 2323 O HOH 201 16.850 38.954 158.151 1.00 20.59 O HETATM 2324 O HOH 202 27.878 47.326 143.194 1.00 34.36 O HETATM 2325 O HOH 203 27.237 50.386 146.429 1.00 29.74 O HETATM 2326 O HOH 204 27.637 44.163 156.785 1.00 52.21 O HETATM 2327 O HOH 205 9.424 41.199 139.077 1.00 51.14 O HETATM 2328 O HOH 206 16.913 34.900 157.672 1.00 44.01 O HETATM 2329 O HOH 207 20.589 56.702 122.663 1.00 34.57 O HETATM 2330 O HOH 208 29.008 53.656 162.239 1.00 28.83 O HETATM 2331 O HOH 209 15.909 46.178 128.526 1.00 37.41 O HETATM 2332 O HOH 210 27.600 39.780 160.959 1.00 33.06 O HETATM 2333 O HOH 211 5.903 46.868 168.571 1.00 45.63 O HETATM 2334 O HOH 212 23.849 47.321 148.835 1.00 29.27 O HETATM 2335 O HOH 213 5.834 53.728 135.518 1.00 44.67 O HETATM 2336 O HOH 214 4.816 50.331 163.915 1.00 50.89 O HETATM 2337 O HOH 215 15.408 42.731 130.127 1.00 37.11 O HETATM 2338 O HOH 216 18.804 60.490 149.938 1.00 39.97 O HETATM 2339 O HOH 217 18.164 53.738 130.895 1.00 13.29 O HETATM 2340 O HOH 218 2.452 46.219 136.727 1.00 42.16 O HETATM 2341 O HOH 219 11.185 48.973 162.673 1.00 22.16 O HETATM 2342 O HOH 220 27.604 43.859 165.697 1.00 27.69 O HETATM 2343 O HOH 221 22.252 59.843 144.622 1.00 31.81 O HETATM 2344 O HOH 222 14.643 47.340 122.790 1.00 36.01 O HETATM 2345 O HOH 223 29.451 60.597 153.216 1.00 43.01 O HETATM 2346 O HOH 224 27.509 44.809 136.997 1.00 35.32 O HETATM 2347 O HOH 225 30.040 55.431 151.845 1.00 48.67 O HETATM 2348 O HOH 226 25.160 37.497 164.504 1.00 46.03 O HETATM 2349 O HOH 227 31.526 62.893 123.992 1.00 81.77 O HETATM 2350 O HOH 228 27.464 58.159 122.099 1.00 40.81 O HETATM 2351 O HOH 229 8.444 55.163 139.407 1.00 50.12 O HETATM 2352 O HOH 230 27.609 56.549 141.559 1.00 43.63 O HETATM 2353 O HOH 231 28.775 40.877 172.397 1.00 38.58 O HETATM 2354 O HOH 232 18.274 33.673 155.024 1.00 68.95 O HETATM 2355 O HOH 233 18.846 42.525 162.571 1.00 21.06 O HETATM 2356 O HOH 234 38.082 68.918 119.585 1.00 34.97 O HETATM 2357 O HOH 235 7.164 58.804 156.928 1.00 52.39 O HETATM 2358 O HOH 236 17.591 40.372 137.020 1.00 44.47 O HETATM 2359 O HOH 237 32.710 57.870 130.044 1.00 42.38 O HETATM 2360 O HOH 238 19.206 42.532 129.264 1.00 26.34 O HETATM 2361 O HOH 239 22.761 47.344 131.860 1.00 15.88 O HETATM 2362 O HOH 240 28.983 50.836 162.696 1.00 41.15 O HETATM 2363 O HOH 241 25.336 53.922 173.605 1.00 31.27 O HETATM 2364 O HOH 242 18.080 47.326 149.558 1.00 22.28 O HETATM 2365 O HOH 243 26.784 42.089 123.063 1.00 32.58 O HETATM 2366 O HOH 244 19.817 49.351 147.989 1.00 66.80 O HETATM 2367 O HOH 245 25.113 57.699 141.597 1.00 29.93 O HETATM 2368 O HOH 246 27.883 48.741 133.425 1.00 26.97 O HETATM 2369 O HOH 247 27.164 72.710 171.864 1.00 54.81 O HETATM 2370 O HOH 248 27.927 53.655 172.308 1.00 39.28 O HETATM 2371 O HOH 249 22.413 51.213 118.579 1.00 50.60 O HETATM 2372 O HOH 250 31.036 66.074 168.491 1.00 69.91 O HETATM 2373 O HOH 251 31.257 53.872 125.760 1.00 36.79 O HETATM 2374 O HOH 252 17.741 52.460 119.341 1.00 46.78 O HETATM 2375 O HOH 253 25.118 41.657 173.294 1.00 43.90 O HETATM 2376 O HOH 254 23.449 44.862 175.186 1.00 37.77 O HETATM 2377 O HOH 255 17.833 53.386 155.107 1.00 15.00 O HETATM 2378 O HOH 256 36.827 67.446 124.876 1.00 35.73 O HETATM 2379 O HOH 257 15.974 50.889 123.481 1.00 32.75 O HETATM 2380 O HOH 258 23.158 60.754 176.274 1.00 30.35 O HETATM 2381 O HOH 259 24.805 55.547 120.183 1.00 58.45 O HETATM 2382 O HOH 260 26.737 38.948 156.511 1.00 38.66 O HETATM 2383 O HOH 261 26.243 48.179 149.803 1.00 53.58 O HETATM 2384 O HOH 262 25.817 44.425 120.284 1.00 37.46 O HETATM 2385 O HOH 263 28.713 48.180 156.677 1.00 50.71 O HETATM 2386 O HOH 264 18.327 39.975 139.621 1.00 46.75 O HETATM 2387 O HOH 265 29.391 51.198 131.493 1.00 36.15 O HETATM 2388 O HOH 266 24.258 42.842 148.089 1.00 53.84 O HETATM 2389 O HOH 267 6.035 50.178 139.116 1.00 63.92 O HETATM 2390 O HOH 268 24.896 49.583 175.582 1.00 29.68 O HETATM 2391 O HOH 269 24.103 52.434 171.749 1.00 26.04 O HETATM 2392 O HOH 270 28.844 43.525 162.952 1.00 31.63 O HETATM 2393 O HOH 271 27.887 49.055 119.833 1.00 26.92 O HETATM 2394 O HOH 272 4.987 51.207 134.593 1.00 50.68 O HETATM 2395 O HOH 273 19.042 48.282 145.608 1.00 40.86 O HETATM 2396 O HOH 274 27.011 47.786 138.277 1.00 21.81 O HETATM 2397 O HOH 275 6.791 48.057 164.594 1.00 34.95 O HETATM 2398 O HOH 276 26.587 48.604 141.055 1.00 30.09 O HETATM 2399 O HOH 277 26.582 46.557 156.145 1.00 45.59 O HETATM 2400 O HOH 278 29.557 46.317 166.644 1.00 41.42 O HETATM 2401 O HOH 279 15.019 49.863 142.061 1.00 34.76 O HETATM 2402 O HOH 280 6.135 62.344 160.627 1.00 55.24 O HETATM 2403 O HOH 281 22.162 39.216 166.479 1.00 48.26 O HETATM 2404 O HOH 282 29.237 51.296 152.029 1.00 32.78 O HETATM 2405 O HOH 283 22.256 41.043 121.483 1.00 48.77 O HETATM 2406 O HOH 284 21.300 37.469 145.393 1.00 26.37 O HETATM 2407 O HOH 285 21.616 46.650 116.860 1.00 42.71 O HETATM 2408 O HOH 286 28.308 45.449 134.406 1.00 37.07 O HETATM 2409 O HOH 287 29.768 50.795 126.707 1.00 33.20 O HETATM 2410 O HOH 288 32.433 52.188 121.345 1.00 61.13 O HETATM 2411 O HOH 289 29.217 53.850 158.901 1.00 32.75 O HETATM 2412 O HOH 290 3.143 53.363 158.036 1.00 61.93 O HETATM 2413 O HOH 291 35.421 66.718 122.609 1.00 43.67 O HETATM 2414 O HOH 292 15.202 47.192 141.594 1.00 23.78 O HETATM 2415 O HOH 293 9.289 44.067 133.911 1.00 46.84 O HETATM 2416 O HOH 294 12.961 46.144 116.885 1.00 60.01 O HETATM 2417 O HOH 295 8.279 49.186 162.568 1.00 25.85 O HETATM 2418 O HOH 296 30.958 52.149 144.231 1.00 50.52 O HETATM 2419 O HOH 297 24.377 42.724 121.801 1.00 36.71 O HETATM 2420 O HOH 298 30.838 37.945 168.560 1.00 66.36 O HETATM 2421 O HOH 299 30.750 44.564 141.324 1.00 42.97 O HETATM 2422 O HOH 300 28.505 61.340 157.808 1.00 38.01 O HETATM 2423 O HOH 301 6.868 47.909 171.179 1.00 56.85 O HETATM 2424 O HOH 302 12.650 47.924 139.357 1.00 24.13 O HETATM 2425 O HOH 303 27.751 43.583 146.241 1.00 45.05 O HETATM 2426 O HOH 304 20.062 60.808 146.255 1.00 38.79 O HETATM 2427 O HOH 305 37.272 68.536 167.500 1.00 52.67 O HETATM 2428 O HOH 306 45.166 63.910 119.108 1.00 48.95 O HETATM 2429 O HOH 307 31.406 54.843 143.951 1.00 74.79 O HETATM 2430 O HOH 308 32.850 50.469 167.727 1.00 59.54 O HETATM 2431 O HOH 309 14.100 38.737 150.462 1.00 35.75 O HETATM 2432 O HOH 310 24.112 39.489 141.511 1.00 44.73 O HETATM 2433 O HOH 311 30.915 60.219 150.972 1.00 59.52 O HETATM 2434 O HOH 312 6.235 53.000 132.041 1.00 35.05 O HETATM 2435 O HOH 313 36.930 69.954 172.169 1.00 55.64 O HETATM 2436 O HOH 314 18.944 50.441 117.069 1.00 51.76 O HETATM 2437 O HOH 315 23.034 63.776 126.947 1.00 49.11 O HETATM 2438 O HOH 316 33.414 53.442 129.088 1.00 67.53 O HETATM 2439 O HOH 317 33.243 71.073 173.666 1.00 54.79 O HETATM 2440 O HOH 318 23.226 60.442 123.223 1.00 56.90 O HETATM 2441 O HOH 319 16.426 44.361 175.763 1.00 39.67 O HETATM 2442 O HOH 320 39.502 61.780 117.942 1.00 69.49 O HETATM 2443 O HOH 321 1.387 48.986 136.375 1.00 60.78 O HETATM 2444 O HOH 322 31.981 56.950 170.389 1.00 33.84 O HETATM 2445 O HOH 323 22.460 38.010 138.369 1.00 47.96 O HETATM 2446 O HOH 324 26.565 38.078 159.085 1.00 80.85 O HETATM 2447 O HOH 325 29.981 50.370 116.156 1.00 72.48 O HETATM 2448 O HOH 326 14.349 34.634 153.976 1.00 35.52 O HETATM 2449 O HOH 327 18.846 39.868 129.520 1.00 53.84 O HETATM 2450 O HOH 328 30.266 53.260 140.314 1.00 58.34 O HETATM 2451 O HOH 329 5.596 60.431 163.828 1.00 50.60 O HETATM 2452 O HOH 330 34.038 64.138 171.803 1.00 62.43 O HETATM 2453 O HOH 331 30.113 43.703 157.884 1.00 67.46 O HETATM 2454 O HOH 332 16.056 39.017 130.740 1.00 56.85 O HETATM 2455 O HOH 333 27.356 46.300 148.148 1.00 46.89 O HETATM 2456 O HOH 334 11.049 43.436 129.401 1.00 53.71 O HETATM 2457 O HOH 335 17.974 38.501 133.115 1.00 55.18 O HETATM 2458 O HOH 336 38.201 69.061 175.658 1.00 76.47 O HETATM 2459 O HOH 337 16.907 34.223 149.179 1.00 51.93 O HETATM 2460 O HOH 338 24.245 46.841 117.407 1.00 64.21 O HETATM 2461 O HOH 339 4.818 49.650 171.880 1.00 52.07 O HETATM 2462 O HOH 340 31.273 54.921 133.238 1.00 54.57 O HETATM 2463 O HOH 341 20.089 41.357 125.784 1.00 54.10 O HETATM 2464 O HOH 342 7.030 49.043 160.178 1.00 42.71 O HETATM 2465 O HOH 343 31.176 57.173 142.389 1.00 62.42 O HETATM 2466 O HOH 344 16.259 43.143 125.540 1.00 43.80 O HETATM 2467 O HOH 345 28.310 49.066 136.082 1.00 39.50 O HETATM 2468 O HOH 346 28.741 59.033 147.741 1.00 56.32 O HETATM 2469 O HOH 347 30.718 49.738 133.372 1.00 45.19 O HETATM 2470 O HOH 348 17.099 43.813 128.061 1.00 27.88 O HETATM 2471 O HOH 349 27.993 37.966 173.105 1.00 60.34 O HETATM 2472 O HOH 350 21.602 39.207 129.358 1.00 66.17 O HETATM 2473 O HOH 351 31.228 39.492 170.799 1.00 61.78 O HETATM 2474 O HOH 352 28.496 65.122 125.675 1.00 51.55 O HETATM 2475 O HOH 353 25.197 45.005 149.449 1.00 37.36 O HETATM 2476 O HOH 354 18.041 35.618 146.914 1.00 54.24 O HETATM 2477 O HOH 355 29.580 41.050 162.454 1.00 38.53 O HETATM 2478 O HOH 356 41.228 61.184 115.619 1.00 86.23 O HETATM 2479 O HOH 357 30.292 51.935 136.254 1.00 62.30 O HETATM 2480 O HOH 358 28.754 60.510 122.593 1.00 57.83 O HETATM 2481 O HOH 359 27.166 47.075 152.286 1.00 46.53 O HETATM 2482 O HOH 360 14.363 44.576 124.239 1.00 57.08 O HETATM 2483 O HOH 361 23.470 59.480 140.104 1.00 31.37 O HETATM 2484 O HOH 362 22.218 52.213 115.839 1.00 64.75 O HETATM 2485 O HOH 363 28.999 42.057 175.037 1.00 46.03 O HETATM 2486 O HOH 364 16.396 32.517 156.638 1.00 51.86 O HETATM 2487 O HOH 365 24.829 37.381 173.165 1.00 76.32 O HETATM 2488 O HOH 366 13.713 41.727 126.750 1.00 69.97 O HETATM 2489 O HOH 367 22.760 33.237 145.368 1.00 59.17 O HETATM 2490 O HOH 368 25.715 38.274 176.312 1.00 52.39 O HETATM 2491 O HOH 369 30.846 40.296 176.241 1.00 63.57 O HETATM 2492 O HOH 370 2.411 66.606 161.348 1.00 80.06 O HETATM 2493 O HOH 371 12.444 37.739 153.711 1.00 39.83 O HETATM 2494 O HOH 372 9.529 42.065 162.461 1.00 38.90 O HETATM 2495 O HOH 373 15.758 36.699 155.486 1.00 26.57 O HETATM 2496 O HOH 374 16.166 40.170 164.822 1.00 43.63 O HETATM 2497 O HOH 375 7.395 46.332 147.390 1.00 30.19 O HETATM 2498 O HOH 376 13.265 45.315 141.746 1.00 42.06 O HETATM 2499 O HOH 377 11.128 49.577 142.939 1.00 53.94 O HETATM 2500 O HOH 378 16.067 47.366 144.776 1.00 48.41 O HETATM 2501 O HOH 379 13.418 40.856 152.154 1.00 19.26 O HETATM 2502 O HOH 380 6.045 42.120 156.294 1.00 32.29 O HETATM 2503 O HOH 381 16.017 47.047 147.792 1.00 26.43 O HETATM 2504 O HOH 382 16.383 42.878 160.897 1.00 18.06 O HETATM 2505 O HOH 383 7.087 41.000 151.251 1.00 34.13 O HETATM 2506 O HOH 384 10.213 51.343 146.129 1.00 53.08 O HETATM 2507 O HOH 385 7.715 42.638 167.393 1.00 46.13 O HETATM 2508 O HOH 386 4.639 43.346 154.397 1.00 34.68 O HETATM 2509 O HOH 387 6.078 45.172 164.739 1.00 50.97 O HETATM 2510 O HOH 388 9.854 40.187 149.642 1.00 32.27 O HETATM 2511 O HOH 389 7.731 42.129 148.676 1.00 36.85 O HETATM 2512 O HOH 390 5.779 45.629 157.326 1.00 35.59 O HETATM 2513 O HOH 391 11.975 40.485 147.803 1.00 22.81 O HETATM 2514 O HOH 392 5.680 47.037 149.400 1.00 51.91 O HETATM 2515 O HOH 393 4.808 42.417 161.636 1.00 37.95 O HETATM 2516 O HOH 394 7.776 48.843 146.414 1.00 39.98 O HETATM 2517 N CYS A 395 28.042 65.588 165.727 1.00 0.24 N HETATM 2518 CA CYS A 395 27.326 65.744 164.466 1.00 0.07 C HETATM 2519 C CYS A 395 25.912 66.240 164.691 1.00 0.23 C HETATM 2520 O CYS A 395 24.938 65.501 164.527 1.00 -0.39 O HETATM 2521 N CYS A 395 25.808 67.511 165.082 1.00 -0.26 N HETATM 2522 CA CYS A 395 24.534 68.150 165.383 1.00 0.14 C HETATM 2523 C CYS A 395 23.623 68.212 164.173 1.00 0.21 C HETATM 2524 O CYS A 395 22.413 68.131 164.328 1.00 -0.39 O HETATM 2525 N CYS A 395 24.203 68.404 162.983 1.00 -0.26 N HETATM 2526 CA CYS A 395 23.422 68.577 161.764 1.00 0.13 C HETATM 2527 C CYS A 395 23.909 67.562 160.754 1.00 0.20 C HETATM 2528 O CYS A 395 25.081 67.581 160.361 1.00 -0.39 O HETATM 2529 N CYS A 395 23.026 66.650 160.377 1.00 -0.26 N HETATM 2530 CA CYS A 395 23.346 65.622 159.369 1.00 0.13 C HETATM 2531 C CYS A 395 22.545 65.922 158.116 1.00 0.20 C HETATM 2532 O CYS A 395 21.314 66.108 158.196 1.00 -0.39 O HETATM 2533 N CYS A 395 23.223 65.999 156.961 1.00 -0.26 N HETATM 2534 CA CYS A 395 22.506 66.342 155.739 1.00 0.13 C HETATM 2535 C CYS A 395 22.974 65.511 154.573 1.00 0.20 C HETATM 2536 O CYS A 395 24.169 65.219 154.480 1.00 -0.39 O HETATM 2537 N CYS A 395 22.058 65.246 153.627 1.00 -0.26 N HETATM 2538 CA CYS A 395 22.441 64.706 152.329 1.00 0.14 C HETATM 2539 C CYS A 395 22.861 65.881 151.447 1.00 0.21 C HETATM 2540 O CYS A 395 22.238 66.963 151.475 1.00 -0.39 O HETATM 2541 N CYS A 395 23.877 65.652 150.600 1.00 -0.26 N HETATM 2542 CA CYS A 395 24.180 66.622 149.554 1.00 0.14 C HETATM 2543 C CYS A 395 23.337 66.182 148.304 1.00 0.21 C HETATM 2544 O CYS A 395 22.678 65.129 148.334 1.00 -0.39 O HETATM 2545 N CYS A 395 23.379 66.962 147.202 1.00 -0.26 N HETATM 2546 CA CYS A 395 22.620 66.612 145.990 1.00 0.13 C HETATM 2547 C CYS A 395 23.121 65.347 145.261 1.00 0.20 C HETATM 2548 O CYS A 395 22.488 64.910 144.287 1.00 -0.39 O HETATM 2549 N CYS A 395 24.247 64.754 145.742 1.00 -0.26 N HETATM 2550 CA CYS A 395 24.843 63.564 145.127 1.00 0.14 C HETATM 2551 C CYS A 395 24.545 62.270 145.910 1.00 0.21 C HETATM 2552 O CYS A 395 25.088 61.221 145.562 1.00 -0.39 O HETATM 2553 N CYS A 395 23.719 62.357 146.948 1.00 -0.27 N HETATM 2554 CA CYS A 395 23.355 61.190 147.748 1.00 0.12 C HETATM 2555 C CYS A 395 24.316 60.832 148.877 1.00 0.20 C HETATM 2556 O CYS A 395 24.153 59.770 149.485 1.00 -0.39 O HETATM 2557 N CYS A 395 25.296 61.723 149.200 1.00 -0.26 N HETATM 2558 CA CYS A 395 26.241 61.481 150.307 1.00 0.13 C HETATM 2559 C CYS A 395 25.820 62.242 151.553 1.00 0.20 C HETATM 2560 O CYS A 395 25.318 63.354 151.444 1.00 -0.39 O HETATM 2561 N CYS A 395 26.069 61.659 152.722 1.00 -0.26 N HETATM 2562 CA CYS A 395 25.753 62.294 153.996 1.00 0.13 C HETATM 2563 C CYS A 395 26.946 63.106 154.496 1.00 0.20 C HETATM 2564 O CYS A 395 28.101 62.704 154.303 1.00 -0.39 O HETATM 2565 N CYS A 395 26.661 64.232 155.174 1.00 -0.26 N HETATM 2566 CA CYS A 395 27.712 65.096 155.723 1.00 0.14 C HETATM 2567 C CYS A 395 27.297 65.645 157.061 1.00 0.21 C HETATM 2568 O CYS A 395 26.136 66.009 157.237 1.00 -0.39 O HETATM 2569 N CYS A 395 28.268 65.790 157.973 1.00 -0.26 N HETATM 2570 CA CYS A 395 28.050 66.477 159.232 1.00 0.14 C HETATM 2571 C CYS A 395 28.308 67.982 158.995 1.00 0.20 C HETATM 2572 O CYS A 395 29.434 68.363 158.722 1.00 -0.39 O HETATM 2573 N CYS A 395 27.275 68.827 159.161 1.00 -0.27 N HETATM 2574 CA CYS A 395 27.336 70.276 158.902 1.00 0.09 C HETATM 2575 C CYS A 395 27.448 71.111 160.135 1.00 0.06 C HETATM 2576 O CYS A 395 27.496 72.358 160.017 1.00 -0.57 O HETATM 2577 OXT CYS A 395 27.264 70.534 161.221 1.00 -0.57 O HETATM 2578 CB CYS A 395 26.039 70.737 158.174 1.00 -0.01 C HETATM 2579 CG CYS A 395 25.669 69.923 156.965 1.00 -0.02 C HETATM 2580 CD CYS A 395 26.601 70.189 155.830 1.00 0.06 C HETATM 2581 NE CYS A 395 26.025 69.805 154.557 1.00 -0.27 N HETATM 2582 CZ CYS A 395 26.739 69.617 153.452 1.00 0.29 C HETATM 2583 NH1 CYS A 395 28.057 69.782 153.468 1.00 -0.28 N HETATM 2584 H113 CYS A 395 28.605 69.635 152.608 1.00 0.26 H HETATM 2585 H114 CYS A 395 28.531 70.057 154.340 1.00 0.26 H HETATM 2586 NH2 CYS A 395 26.141 69.277 152.320 1.00 -0.28 N HETATM 2587 H115 CYS A 395 25.120 69.146 152.296 1.00 0.26 H HETATM 2588 H116 CYS A 395 26.697 69.143 151.464 1.00 0.26 H HETATM 2589 H112 CYS A 395 25.005 69.670 154.506 1.00 0.26 H HETATM 2590 H110 CYS A 395 27.527 69.617 155.988 1.00 0.07 H HETATM 2591 H111 CYS A 395 26.834 71.264 155.805 1.00 0.07 H HETATM 2592 H108 CYS A 395 24.645 70.183 156.657 1.00 0.03 H HETATM 2593 H109 CYS A 395 25.714 68.855 157.224 1.00 0.03 H HETATM 2594 H106 CYS A 395 26.179 71.780 157.854 1.00 0.03 H HETATM 2595 H107 CYS A 395 25.207 70.682 158.891 1.00 0.03 H HETATM 2596 H105 CYS A 395 28.209 70.472 158.262 1.00 0.07 H HETATM 2597 H104 CYS A 395 26.408 68.446 159.482 1.00 0.19 H HETATM 2598 CB CYS A 395 28.962 65.919 160.307 1.00 0.04 C HETATM 2599 SG CYS A 395 28.453 64.284 160.869 1.00 -0.09 S HETATM 2600 SG CYS A 395 26.730 64.628 161.969 1.00 -0.08 S HETATM 2601 CB CYS A 395 27.352 64.452 163.661 1.00 0.06 C HETATM 2602 H5 CYS A 395 26.733 63.707 164.182 1.00 0.05 H HETATM 2603 H6 CYS A 395 28.391 64.095 163.612 1.00 0.05 H HETATM 2604 H102 CYS A 395 28.954 66.605 161.167 1.00 0.04 H HETATM 2605 H103 CYS A 395 29.983 65.850 159.902 1.00 0.04 H HETATM 2606 H101 CYS A 395 27.006 66.335 159.549 1.00 0.08 H HETATM 2607 H100 CYS A 395 29.173 65.412 157.779 1.00 0.19 H HETATM 2608 CB CYS A 395 27.967 66.315 154.806 1.00 0.04 C HETATM 2609 CG CYS A 395 28.439 65.961 153.440 1.00 0.06 C HETATM 2610 ND1 CYS A 395 29.787 65.936 153.127 1.00 -0.26 N HETATM 2611 CE1 CYS A 395 29.847 65.620 151.840 1.00 0.09 C HETATM 2612 NE2 CYS A 395 28.632 65.460 151.323 1.00 -0.34 N HETATM 2613 CD2 CYS A 395 27.722 65.716 152.321 1.00 -0.03 C HETATM 2614 H98 CYS A 395 26.637 65.721 152.228 1.00 0.03 H HETATM 2615 H99 CYS A 395 30.773 65.506 151.278 1.00 0.11 H HETATM 2616 H97 CYS A 395 30.577 66.123 153.760 1.00 0.24 H HETATM 2617 H95 CYS A 395 28.729 66.951 155.281 1.00 0.05 H HETATM 2618 H96 CYS A 395 27.027 66.878 154.711 1.00 0.05 H HETATM 2619 H94 CYS A 395 28.637 64.511 155.829 1.00 0.08 H HETATM 2620 H93 CYS A 395 25.704 64.488 155.308 1.00 0.19 H HETATM 2621 CB CYS A 395 25.378 61.214 155.021 1.00 -0.01 C HETATM 2622 CG CYS A 395 24.017 60.544 154.769 1.00 -0.04 C HETATM 2623 CD1 CYS A 395 23.927 59.201 155.459 1.00 -0.06 C HETATM 2624 H87 CYS A 395 22.944 58.751 155.258 1.00 0.02 H HETATM 2625 H88 CYS A 395 24.054 59.337 156.543 1.00 0.02 H HETATM 2626 H89 CYS A 395 24.718 58.539 155.077 1.00 0.02 H HETATM 2627 CD2 CYS A 395 22.838 61.473 155.235 1.00 -0.06 C HETATM 2628 H90 CYS A 395 22.915 62.446 154.727 1.00 0.02 H HETATM 2629 H91 CYS A 395 22.897 61.623 156.323 1.00 0.02 H HETATM 2630 H92 CYS A 395 21.877 61.001 154.981 1.00 0.02 H HETATM 2631 H86 CYS A 395 23.916 60.379 153.686 1.00 0.03 H HETATM 2632 H84 CYS A 395 25.353 61.679 156.017 1.00 0.03 H HETATM 2633 H85 CYS A 395 26.154 60.435 154.999 1.00 0.03 H HETATM 2634 H83 CYS A 395 24.896 62.970 153.857 1.00 0.08 H HETATM 2635 H82 CYS A 395 26.489 60.751 152.727 1.00 0.19 H HETATM 2636 CB CYS A 395 27.663 61.913 149.913 1.00 -0.02 C HETATM 2637 H79 CYS A 395 28.349 61.724 150.752 1.00 0.03 H HETATM 2638 H80 CYS A 395 27.666 62.986 149.671 1.00 0.03 H HETATM 2639 H81 CYS A 395 27.991 61.338 149.034 1.00 0.03 H HETATM 2640 H78 CYS A 395 26.246 60.404 150.533 1.00 0.08 H HETATM 2641 H77 CYS A 395 25.377 62.567 148.670 1.00 0.19 H HETATM 2642 H75 CYS A 395 23.291 60.324 147.072 1.00 0.08 H HETATM 2643 H76 CYS A 395 22.368 61.381 148.194 1.00 0.08 H HETATM 2644 H74 CYS A 395 23.335 63.248 147.189 1.00 0.19 H HETATM 2645 CB CYS A 395 26.361 63.768 144.924 1.00 0.02 C HETATM 2646 CG CYS A 395 26.716 65.133 144.354 1.00 -0.04 C HETATM 2647 CD1 CYS A 395 26.415 65.453 143.037 1.00 -0.06 C HETATM 2648 CE1 CYS A 395 26.704 66.721 142.525 1.00 -0.07 C HETATM 2649 CZ CYS A 395 27.291 67.675 143.335 1.00 -0.07 C HETATM 2650 CE2 CYS A 395 27.580 67.387 144.644 1.00 -0.07 C HETATM 2651 CD2 CYS A 395 27.273 66.118 145.163 1.00 -0.06 C HETATM 2652 H70 CYS A 395 27.473 65.904 146.207 1.00 0.06 H HETATM 2653 H72 CYS A 395 28.044 68.136 145.276 1.00 0.06 H HETATM 2654 H73 CYS A 395 27.524 68.655 142.934 1.00 0.06 H HETATM 2655 H71 CYS A 395 26.468 66.956 141.494 1.00 0.06 H HETATM 2656 H69 CYS A 395 25.950 64.711 142.398 1.00 0.06 H HETATM 2657 H67 CYS A 395 26.727 62.995 144.232 1.00 0.05 H HETATM 2658 H68 CYS A 395 26.861 63.656 145.897 1.00 0.05 H HETATM 2659 H66 CYS A 395 24.389 63.449 144.132 1.00 0.08 H HETATM 2660 H65 CYS A 395 24.687 65.147 146.550 1.00 0.19 H HETATM 2661 CB CYS A 395 22.574 67.810 145.009 1.00 -0.00 C HETATM 2662 CG CYS A 395 23.920 68.368 144.705 1.00 -0.00 C HETATM 2663 SD CYS A 395 23.790 69.800 143.577 1.00 -0.16 S HETATM 2664 CE CYS A 395 23.036 69.030 142.180 1.00 -0.02 C HETATM 2665 H62 CYS A 395 22.884 69.777 141.387 1.00 0.03 H HETATM 2666 H63 CYS A 395 22.065 68.606 142.475 1.00 0.03 H HETATM 2667 H64 CYS A 395 23.689 68.227 141.807 1.00 0.03 H HETATM 2668 H60 CYS A 395 24.534 67.589 144.230 1.00 0.04 H HETATM 2669 H61 CYS A 395 24.397 68.690 145.643 1.00 0.04 H HETATM 2670 H58 CYS A 395 21.958 68.605 145.456 1.00 0.03 H HETATM 2671 H59 CYS A 395 22.113 67.475 144.068 1.00 0.03 H HETATM 2672 H57 CYS A 395 21.588 66.406 146.311 1.00 0.08 H HETATM 2673 H56 CYS A 395 23.936 67.793 147.209 1.00 0.19 H HETATM 2674 CB CYS A 395 25.698 66.727 149.276 1.00 0.04 C HETATM 2675 CG CYS A 395 26.394 65.483 148.739 1.00 0.04 C HETATM 2676 OD1 CYS A 395 25.696 64.586 148.199 1.00 -0.57 O HETATM 2677 OD2 CYS A 395 27.643 65.431 148.807 1.00 -0.57 O HETATM 2678 H54 CYS A 395 26.190 66.999 150.221 1.00 0.05 H HETATM 2679 H55 CYS A 395 25.845 67.532 148.541 1.00 0.05 H HETATM 2680 H53 CYS A 395 23.836 67.615 149.878 1.00 0.08 H HETATM 2681 H52 CYS A 395 24.424 64.819 150.686 1.00 0.19 H HETATM 2682 CB CYS A 395 21.247 64.052 151.593 1.00 0.02 C HETATM 2683 CG CYS A 395 20.992 62.634 152.019 1.00 -0.05 C HETATM 2684 CD1 CYS A 395 21.766 61.588 151.525 1.00 -0.07 C HETATM 2685 CE1 CYS A 395 21.533 60.268 151.924 1.00 -0.04 C HETATM 2686 CZ CYS A 395 20.503 59.993 152.810 1.00 0.08 C HETATM 2687 CE2 CYS A 395 19.717 61.018 153.305 1.00 -0.04 C HETATM 2688 CD2 CYS A 395 19.997 62.335 152.944 1.00 -0.07 C HETATM 2689 H48 CYS A 395 19.428 63.142 153.393 1.00 0.05 H HETATM 2690 H50 CYS A 395 18.889 60.799 153.969 1.00 0.05 H HETATM 2691 OH CYS A 395 20.278 58.699 153.209 1.00 -0.34 O HETATM 2692 H51 CYS A 395 20.900 58.124 152.779 1.00 0.25 H HETATM 2693 H49 CYS A 395 22.154 59.465 151.543 1.00 0.05 H HETATM 2694 H47 CYS A 395 22.562 61.800 150.820 1.00 0.05 H HETATM 2695 H45 CYS A 395 21.456 64.060 150.513 1.00 0.05 H HETATM 2696 H46 CYS A 395 20.344 64.646 151.797 1.00 0.05 H HETATM 2697 H44 CYS A 395 23.261 63.982 152.450 1.00 0.08 H HETATM 2698 H43 CYS A 395 21.092 65.423 153.818 1.00 0.19 H HETATM 2699 CB CYS A 395 22.775 67.821 155.332 1.00 -0.00 C HETATM 2700 CG CYS A 395 22.221 68.896 156.263 1.00 0.00 C HETATM 2701 CD CYS A 395 22.373 70.324 155.742 1.00 0.04 C HETATM 2702 OE1 CYS A 395 21.947 71.246 156.473 1.00 -0.57 O HETATM 2703 OE2 CYS A 395 22.880 70.535 154.606 1.00 -0.57 O HETATM 2704 H41 CYS A 395 22.749 68.823 157.225 1.00 0.04 H HETATM 2705 H42 CYS A 395 21.150 68.699 156.417 1.00 0.04 H HETATM 2706 H39 CYS A 395 22.332 67.980 154.338 1.00 0.03 H HETATM 2707 H40 CYS A 395 23.865 67.959 155.274 1.00 0.03 H HETATM 2708 H38 CYS A 395 21.430 66.186 155.903 1.00 0.08 H HETATM 2709 H37 CYS A 395 24.207 65.823 156.939 1.00 0.19 H HETATM 2710 CB CYS A 395 23.026 64.221 159.914 1.00 -0.01 C HETATM 2711 CG CYS A 395 23.346 63.051 158.938 1.00 -0.04 C HETATM 2712 CD1 CYS A 395 24.892 62.866 158.767 1.00 -0.06 C HETATM 2713 H31 CYS A 395 25.087 62.035 158.074 1.00 0.02 H HETATM 2714 H32 CYS A 395 25.345 62.643 159.744 1.00 0.02 H HETATM 2715 H33 CYS A 395 25.329 63.791 158.363 1.00 0.02 H HETATM 2716 CD2 CYS A 395 22.724 61.754 159.452 1.00 -0.06 C HETATM 2717 H34 CYS A 395 21.639 61.889 159.570 1.00 0.02 H HETATM 2718 H35 CYS A 395 23.169 61.494 160.424 1.00 0.02 H HETATM 2719 H36 CYS A 395 22.916 60.945 158.732 1.00 0.02 H HETATM 2720 H30 CYS A 395 22.911 63.287 157.956 1.00 0.03 H HETATM 2721 H28 CYS A 395 21.953 64.184 160.152 1.00 0.03 H HETATM 2722 H29 CYS A 395 23.611 64.070 160.833 1.00 0.03 H HETATM 2723 H27 CYS A 395 24.419 65.670 159.130 1.00 0.08 H HETATM 2724 H26 CYS A 395 22.114 66.659 160.788 1.00 0.19 H HETATM 2725 CB CYS A 395 23.513 70.043 161.220 1.00 -0.01 C HETATM 2726 CG1 CYS A 395 22.746 70.203 159.902 1.00 -0.06 C HETATM 2727 H20 CYS A 395 22.832 71.242 159.552 1.00 0.02 H HETATM 2728 H21 CYS A 395 21.686 69.957 160.062 1.00 0.02 H HETATM 2729 H22 CYS A 395 23.170 69.525 159.147 1.00 0.02 H HETATM 2730 CG2 CYS A 395 23.040 71.074 162.259 1.00 -0.06 C HETATM 2731 H23 CYS A 395 23.604 70.938 163.193 1.00 0.02 H HETATM 2732 H24 CYS A 395 21.967 70.931 162.455 1.00 0.02 H HETATM 2733 H25 CYS A 395 23.210 72.089 161.872 1.00 0.02 H HETATM 2734 H19 CYS A 395 24.573 70.249 161.012 1.00 0.03 H HETATM 2735 H18 CYS A 395 22.366 68.367 161.990 1.00 0.08 H HETATM 2736 H17 CYS A 395 25.201 68.430 162.928 1.00 0.19 H HETATM 2737 CB CYS A 395 24.754 69.578 165.911 1.00 0.00 C HETATM 2738 CG CYS A 395 25.230 69.646 167.329 1.00 -0.04 C HETATM 2739 CD1 CYS A 395 26.452 70.073 167.769 1.00 0.02 C HETATM 2740 NE1 CYS A 395 26.497 70.037 169.149 1.00 -0.29 N HETATM 2741 CE2 CYS A 395 25.289 69.583 169.621 1.00 0.06 C HETATM 2742 CD2 CYS A 395 24.473 69.311 168.497 1.00 -0.02 C HETATM 2743 CE3 CYS A 395 23.179 68.798 168.705 1.00 -0.07 C HETATM 2744 CZ3 CYS A 395 22.745 68.585 170.013 1.00 -0.08 C HETATM 2745 CH2 CYS A 395 23.578 68.848 171.105 1.00 -0.08 C HETATM 2746 CZ2 CYS A 395 24.853 69.359 170.936 1.00 -0.04 C HETATM 2747 H14 CYS A 395 25.490 69.578 171.786 1.00 0.05 H HETATM 2748 H16 CYS A 395 23.217 68.647 172.107 1.00 0.05 H HETATM 2749 H15 CYS A 395 21.743 68.209 170.186 1.00 0.05 H HETATM 2750 H13 CYS A 395 22.532 68.573 167.865 1.00 0.05 H HETATM 2751 H12 CYS A 395 27.304 70.306 169.729 1.00 0.22 H HETATM 2752 H11 CYS A 395 27.270 70.394 167.126 1.00 0.08 H HETATM 2753 H9 CYS A 395 23.800 70.121 165.842 1.00 0.04 H HETATM 2754 H10 CYS A 395 25.503 70.069 165.273 1.00 0.04 H HETATM 2755 H8 CYS A 395 24.033 67.559 166.164 1.00 0.08 H HETATM 2756 H7 CYS A 395 26.645 68.051 165.173 1.00 0.19 H HETATM 2757 H4 CYS A 395 27.853 66.510 163.878 1.00 0.11 H HETATM 2758 H1 CYS A 395 28.977 65.258 165.544 1.00 0.20 H HETATM 2759 H2 CYS A 395 27.558 64.922 166.308 1.00 0.20 H HETATM 2760 H3 CYS A 395 28.086 66.477 166.200 1.00 0.20 H CONECT 1 2 5 6 7 CONECT 5 1 CONECT 6 1 CONECT 7 1 CONECT 169 170 176 177 178 CONECT 176 169 CONECT 177 169 CONECT 178 169 CONECT 498 497 979 CONECT 547 546 995 CONECT 979 498 978 CONECT 995 547 994 CONECT 1062 1063 1066 1067 1068 CONECT 1066 1062 CONECT 1067 1062 CONECT 1068 1062 CONECT 1230 1231 1237 1238 1239 CONECT 1237 1230 CONECT 1238 1230 CONECT 1239 1230 CONECT 1559 1558 2040 CONECT 1608 1607 2056 CONECT 2040 1559 2039 CONECT 2056 1608 2055 CONECT 2517 2518 2758 2759 2760 CONECT 2518 2517 2519 2601 2757 CONECT 2519 2518 2520 2521 CONECT 2520 2519 CONECT 2521 2519 2522 2756 CONECT 2522 2521 2523 2737 2755 CONECT 2523 2522 2524 2525 CONECT 2524 2523 CONECT 2525 2523 2526 2736 CONECT 2526 2525 2527 2725 2735 CONECT 2527 2526 2528 2529 CONECT 2528 2527 CONECT 2529 2527 2530 2724 CONECT 2530 2529 2531 2710 2723 CONECT 2531 2530 2532 2533 CONECT 2532 2531 CONECT 2533 2531 2534 2709 CONECT 2534 2533 2535 2699 2708 CONECT 2535 2534 2536 2537 CONECT 2536 2535 CONECT 2537 2535 2538 2698 CONECT 2538 2537 2539 2682 2697 CONECT 2539 2538 2540 2541 CONECT 2540 2539 CONECT 2541 2539 2542 2681 CONECT 2542 2541 2543 2674 2680 CONECT 2543 2542 2544 2545 CONECT 2544 2543 CONECT 2545 2543 2546 2673 CONECT 2546 2545 2547 2661 2672 CONECT 2547 2546 2548 2549 CONECT 2548 2547 CONECT 2549 2547 2550 2660 CONECT 2550 2549 2551 2645 2659 CONECT 2551 2550 2552 2553 CONECT 2552 2551 CONECT 2553 2551 2554 2644 CONECT 2554 2553 2555 2642 2643 CONECT 2555 2554 2556 2557 CONECT 2556 2555 CONECT 2557 2555 2558 2641 CONECT 2558 2557 2559 2636 2640 CONECT 2559 2558 2560 2561 CONECT 2560 2559 CONECT 2561 2559 2562 2635 CONECT 2562 2561 2563 2621 2634 CONECT 2563 2562 2564 2565 CONECT 2564 2563 CONECT 2565 2563 2566 2620 CONECT 2566 2565 2567 2608 2619 CONECT 2567 2566 2568 2569 CONECT 2568 2567 CONECT 2569 2567 2570 2607 CONECT 2570 2569 2571 2598 2606 CONECT 2571 2570 2572 2573 CONECT 2572 2571 CONECT 2573 2571 2574 2597 CONECT 2574 2573 2575 2578 2596 CONECT 2575 2574 2576 2577 CONECT 2576 2575 CONECT 2577 2575 CONECT 2578 2574 2579 2594 2595 CONECT 2579 2578 2580 2592 2593 CONECT 2580 2579 2581 2590 2591 CONECT 2581 2580 2582 2589 CONECT 2582 2581 2583 2586 CONECT 2583 2582 2584 2585 CONECT 2584 2583 CONECT 2585 2583 CONECT 2586 2582 2587 2588 CONECT 2587 2586 CONECT 2588 2586 CONECT 2589 2581 CONECT 2590 2580 CONECT 2591 2580 CONECT 2592 2579 CONECT 2593 2579 CONECT 2594 2578 CONECT 2595 2578 CONECT 2596 2574 CONECT 2597 2573 CONECT 2598 2570 2599 2604 2605 CONECT 2599 2598 2600 CONECT 2600 2599 2601 CONECT 2601 2518 2600 2602 2603 CONECT 2602 2601 CONECT 2603 2601 CONECT 2604 2598 CONECT 2605 2598 CONECT 2606 2570 CONECT 2607 2569 CONECT 2608 2566 2609 2617 2618 CONECT 2609 2608 2610 2613 CONECT 2610 2609 2611 2616 CONECT 2611 2610 2612 2615 CONECT 2612 2611 2613 CONECT 2613 2609 2612 2614 CONECT 2614 2613 CONECT 2615 2611 CONECT 2616 2610 CONECT 2617 2608 CONECT 2618 2608 CONECT 2619 2566 CONECT 2620 2565 CONECT 2621 2562 2622 2632 2633 CONECT 2622 2621 2623 2627 2631 CONECT 2623 2622 2624 2625 2626 CONECT 2624 2623 CONECT 2625 2623 CONECT 2626 2623 CONECT 2627 2622 2628 2629 2630 CONECT 2628 2627 CONECT 2629 2627 CONECT 2630 2627 CONECT 2631 2622 CONECT 2632 2621 CONECT 2633 2621 CONECT 2634 2562 CONECT 2635 2561 CONECT 2636 2558 2637 2638 2639 CONECT 2637 2636 CONECT 2638 2636 CONECT 2639 2636 CONECT 2640 2558 CONECT 2641 2557 CONECT 2642 2554 CONECT 2643 2554 CONECT 2644 2553 CONECT 2645 2550 2646 2657 2658 CONECT 2646 2645 2647 2651 CONECT 2647 2646 2648 2656 CONECT 2648 2647 2649 2655 CONECT 2649 2648 2650 2654 CONECT 2650 2649 2651 2653 CONECT 2651 2646 2650 2652 CONECT 2652 2651 CONECT 2653 2650 CONECT 2654 2649 CONECT 2655 2648 CONECT 2656 2647 CONECT 2657 2645 CONECT 2658 2645 CONECT 2659 2550 CONECT 2660 2549 CONECT 2661 2546 2662 2670 2671 CONECT 2662 2661 2663 2668 2669 CONECT 2663 2662 2664 CONECT 2664 2663 2665 2666 2667 CONECT 2665 2664 CONECT 2666 2664 CONECT 2667 2664 CONECT 2668 2662 CONECT 2669 2662 CONECT 2670 2661 CONECT 2671 2661 CONECT 2672 2546 CONECT 2673 2545 CONECT 2674 2542 2675 2678 2679 CONECT 2675 2674 2676 2677 CONECT 2676 2675 CONECT 2677 2675 CONECT 2678 2674 CONECT 2679 2674 CONECT 2680 2542 CONECT 2681 2541 CONECT 2682 2538 2683 2695 2696 CONECT 2683 2682 2684 2688 CONECT 2684 2683 2685 2694 CONECT 2685 2684 2686 2693 CONECT 2686 2685 2687 2691 CONECT 2687 2686 2688 2690 CONECT 2688 2683 2687 2689 CONECT 2689 2688 CONECT 2690 2687 CONECT 2691 2686 2692 CONECT 2692 2691 CONECT 2693 2685 CONECT 2694 2684 CONECT 2695 2682 CONECT 2696 2682 CONECT 2697 2538 CONECT 2698 2537 CONECT 2699 2534 2700 2706 2707 CONECT 2700 2699 2701 2704 2705 CONECT 2701 2700 2702 2703 CONECT 2702 2701 CONECT 2703 2701 CONECT 2704 2700 CONECT 2705 2700 CONECT 2706 2699 CONECT 2707 2699 CONECT 2708 2534 CONECT 2709 2533 CONECT 2710 2530 2711 2721 2722 CONECT 2711 2710 2712 2716 2720 CONECT 2712 2711 2713 2714 2715 CONECT 2713 2712 CONECT 2714 2712 CONECT 2715 2712 CONECT 2716 2711 2717 2718 2719 CONECT 2717 2716 CONECT 2718 2716 CONECT 2719 2716 CONECT 2720 2711 CONECT 2721 2710 CONECT 2722 2710 CONECT 2723 2530 CONECT 2724 2529 CONECT 2725 2526 2726 2730 2734 CONECT 2726 2725 2727 2728 2729 CONECT 2727 2726 CONECT 2728 2726 CONECT 2729 2726 CONECT 2730 2725 2731 2732 2733 CONECT 2731 2730 CONECT 2732 2730 CONECT 2733 2730 CONECT 2734 2725 CONECT 2735 2526 CONECT 2736 2525 CONECT 2737 2522 2738 2753 2754 CONECT 2738 2737 2739 2742 CONECT 2739 2738 2740 2752 CONECT 2740 2739 2741 2751 CONECT 2741 2740 2742 2746 CONECT 2742 2738 2741 2743 CONECT 2743 2742 2744 2750 CONECT 2744 2743 2745 2749 CONECT 2745 2744 2746 2748 CONECT 2746 2741 2745 2747 CONECT 2747 2746 CONECT 2748 2745 CONECT 2749 2744 CONECT 2750 2743 CONECT 2751 2740 CONECT 2752 2739 CONECT 2753 2737 CONECT 2754 2737 CONECT 2755 2522 CONECT 2756 2521 CONECT 2757 2518 CONECT 2758 2517 CONECT 2759 2517 CONECT 2760 2517 MASTER 0 0 0 0 0 0 0 0 2756 4 268 18 END
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5ksu
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5mlo
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6b5m
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6b5o
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6rml
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PDBbind
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6bnt
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15-mer
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5zjz
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Entry Information
PDB ID
5vb9
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Interleukin-17A
Ligand Name
15-mer
EC.Number
E.C.-.-.-.-
Resolution
1.7(Å)
Affinity (Kd/Ki/IC50)
Kd=1.3uM
Release Year
2018
Protein/NA Sequence
Check fasta file
Primary Reference
(2018) PLoS ONE Vol. 13: pp. e0190850-e0190850
Ligand Properties
Formula
C
8
3
H
1
1
9
N
2
1
O
2
1
S
3
Molecular Weight
1843.160
Exact Mass
1841.810
No. of atoms
247
No. of bonds
252
Polar Surface Area
753.55
LOGP Value
4.63 (
Computed with XLOGP3
)
1.44 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 18
No. of Hydrogen Bond Acceptors: 22
No. of Rotatable Bonds: 27
No. of Nitrogen and Oxygen Atoms: 42
No. of Rings: 6
Canonical SMILES
CSCC[C@@H]1NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc2ccc(cc2)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]([NH3+])CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC1=O)Cc1ccccc1)C)CC(C)C)Cc1cnc[nH]1)C(=O)N[C@H](C(=O)O)CCC[NH+]=C(N)N)Cc1c[nH]c2c1cccc2)C(C)C
InChI String
InChI=1S/C83H117N21O21S3/c1-42(2)29-57-75(117)100-62(34-49-37-87-41-91-49)77(119)103-64(80(122)95-56(82(124)125)19-14-27-88-83(85)86)40-128-127-39-52(84)70(112)97-61(33-48-36-89-53-18-13-12-17-51(48)53)79(121)104-68(44(5)6)81(123)102-58(30-43(3)4)74(116)93-54(24-25-66(107)108)72(114)99-60(32-47-20-22-50(105)23-21-47)76(118)101-63(35-67(109)110)78(120)94-55(26-28-126-8)73(115)98-59(31-46-15-10-9-11-16-46)71(113)90-38-65(106)92-45(7)69(111)96-57/h9-13,15-18,20-23,36-37,41-45,52,54-64,68,89,105H,14,19,24-35,38-40,84H2,1-8H3,(H,87,91)(H,90,113)(H,92,106)(H,93,116)(H,94,120)(H,95,122)(H,96,111)(H,97,112)(H,98,115)(H,99,114)(H,100,117)(H,101,118)(H,102,123)(H,103,119)(H,104,121)(H,107,108)(H,109,110)(H,124,125)(H4,85,86,88)/p+2/t45-,52-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,68-/m0/s1
Links to External Databases
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UniProtKB AC
UniProt accession number (AC):
Q16552
Entrez Gene ID
NCBI Entrez Gene ID:
3605
ASD
Information of known allosteric effects of PDB entries
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