Browse entries in the PDBbind-CN Database
HEADER 5UMY_COMPLEX COMPND 5UMY_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 121 HIS MET ALA ILE SER HIS VAL GLN LEU PHE SER VAL PRO SEQRES 2 A 121 VAL SER ASP GLN GLU LYS ALA LYS ASP PHE TYR VAL GLU SEQRES 3 A 121 THR VAL GLY PHE ASP LEU LEU ALA ASP GLN PRO GLY VAL SEQRES 4 A 121 HIS GLY ARG TRP LEU GLN VAL ALA PRO LYS GLY ALA ASP SEQRES 5 A 121 THR SER LEU VAL LEU VAL ASP TRP PHE PRO THR MET PRO SEQRES 6 A 121 PRO GLY SER LEU ARG GLY LEU LEU LEU ARG THR ASP ASP SEQRES 7 A 121 VAL ASP ALA ASP CYS ALA ARG LEU GLN GLU ARG GLY VAL SEQRES 8 A 121 ALA VAL ASP GLY PRO LYS ASN THR PRO TRP GLY ARG GLN SEQRES 9 A 121 ALA MET PHE SER ASP PRO ASP GLY ASN VAL ILE GLY LEU SEQRES 10 A 121 ASN GLN PRO SER SEQRES 1 B 121 HIS MET ALA ILE SER HIS VAL GLN LEU PHE SER VAL PRO SEQRES 2 B 121 VAL SER ASP GLN GLU LYS ALA LYS ASP PHE TYR VAL GLU SEQRES 3 B 121 THR VAL GLY PHE ASP LEU LEU ALA ASP GLN PRO GLY VAL SEQRES 4 B 121 HIS GLY ARG TRP LEU GLN VAL ALA PRO LYS GLY ALA ASP SEQRES 5 B 121 THR SER LEU VAL LEU VAL ASP TRP PHE PRO THR MET PRO SEQRES 6 B 121 PRO GLY SER LEU ARG GLY LEU LEU LEU ARG THR ASP ASP SEQRES 7 B 121 VAL ASP ALA ASP CYS ALA ARG LEU GLN GLU ARG GLY VAL SEQRES 8 B 121 ALA VAL ASP GLY PRO LYS ASN THR PRO TRP GLY ARG GLN SEQRES 9 B 121 ALA MET PHE SER ASP PRO ASP GLY ASN VAL ILE GLY LEU SEQRES 10 B 121 ASN GLN PRO SER HET TNN A 476 59 ATOM 1 N HIS A 0 -25.712 -13.362 -10.372 1.00 42.73 N ATOM 2 CA HIS A 0 -24.808 -12.157 -10.413 1.00 41.52 C ATOM 3 C HIS A 0 -24.478 -11.626 -8.999 1.00 32.14 C ATOM 4 O HIS A 0 -25.288 -11.695 -8.085 1.00 26.95 O ATOM 5 CB HIS A 0 -25.378 -11.039 -11.318 1.00 49.59 C ATOM 6 CG HIS A 0 -26.471 -10.228 -10.682 1.00 64.23 C ATOM 7 ND1 HIS A 0 -27.601 -10.794 -10.119 1.00 73.75 N ATOM 8 CD2 HIS A 0 -26.606 -8.887 -10.522 1.00 72.53 C ATOM 9 CE1 HIS A 0 -28.379 -9.838 -9.633 1.00 74.48 C ATOM 10 NE2 HIS A 0 -27.798 -8.673 -9.863 1.00 76.10 N ATOM 11 HN3 HIS A 0 -26.606 -13.108 -9.905 1.00 0.00 H ATOM 12 HN2 HIS A 0 -25.247 -14.125 -9.840 1.00 0.00 H ATOM 13 HN1 HIS A 0 -25.905 -13.682 -11.342 1.00 0.00 H ATOM 14 N MET A 1 -23.285 -11.077 -8.845 1.00 26.58 N ATOM 15 CA MET A 1 -22.801 -10.577 -7.548 1.00 22.39 C ATOM 16 C MET A 1 -23.444 -9.244 -7.159 1.00 19.35 C ATOM 17 O MET A 1 -23.809 -8.462 -8.038 1.00 19.65 O ATOM 18 CB MET A 1 -21.282 -10.418 -7.614 1.00 22.05 C ATOM 19 CG MET A 1 -20.531 -11.722 -7.800 1.00 24.56 C ATOM 20 SD MET A 1 -20.616 -12.775 -6.340 1.00 21.67 S ATOM 21 CE MET A 1 -19.330 -12.123 -5.319 1.00 22.89 C ATOM 22 H MET A 1 -22.663 -10.995 -9.674 1.00 0.00 H ATOM 23 N ALA A 2 -23.601 -8.982 -5.853 1.00 15.53 N ATOM 24 CA ALA A 2 -24.284 -7.746 -5.372 1.00 14.37 C ATOM 25 C ALA A 2 -23.335 -6.600 -4.992 1.00 13.86 C ATOM 26 O ALA A 2 -23.751 -5.611 -4.427 1.00 12.45 O ATOM 27 CB ALA A 2 -25.209 -8.054 -4.205 1.00 14.70 C ATOM 28 H ALA A 2 -23.236 -9.661 -5.155 1.00 0.00 H ATOM 29 N ILE A 3 -22.059 -6.749 -5.341 1.00 12.91 N ATOM 30 CA ILE A 3 -21.040 -5.704 -5.144 1.00 12.16 C ATOM 31 C ILE A 3 -21.373 -4.444 -5.967 1.00 12.54 C ATOM 32 O ILE A 3 -21.542 -4.524 -7.212 1.00 11.92 O ATOM 33 CB ILE A 3 -19.689 -6.200 -5.630 1.00 11.83 C ATOM 34 CG1 ILE A 3 -19.167 -7.322 -4.706 1.00 11.59 C ATOM 35 CG2 ILE A 3 -18.692 -5.035 -5.671 1.00 11.11 C ATOM 36 CD1 ILE A 3 -18.108 -8.169 -5.381 1.00 12.03 C ATOM 37 H ILE A 3 -21.767 -7.648 -5.774 1.00 0.00 H ATOM 38 N SER A 4 -21.386 -3.286 -5.305 1.00 11.93 N ATOM 39 CA SER A 4 -21.737 -2.051 -5.994 1.00 12.15 C ATOM 40 C SER A 4 -20.538 -1.185 -6.377 1.00 12.05 C ATOM 41 O SER A 4 -20.578 -0.498 -7.401 1.00 12.41 O ATOM 42 CB SER A 4 -22.709 -1.221 -5.162 1.00 13.10 C ATOM 43 OG SER A 4 -22.170 -0.955 -3.893 1.00 15.25 O ATOM 44 HG SER A 4 -22.814 -0.416 -3.369 1.00 0.00 H ATOM 45 H SER A 4 -21.145 -3.265 -4.294 1.00 0.00 H ATOM 46 N HIS A 5 -19.509 -1.179 -5.541 1.00 10.89 N ATOM 47 CA HIS A 5 -18.365 -0.300 -5.718 1.00 11.00 C ATOM 48 C HIS A 5 -17.314 -0.651 -4.695 1.00 10.10 C ATOM 49 O HIS A 5 -17.607 -1.320 -3.725 1.00 9.55 O ATOM 50 CB HIS A 5 -18.725 1.202 -5.629 1.00 11.23 C ATOM 51 CG HIS A 5 -19.237 1.656 -4.312 1.00 12.17 C ATOM 52 ND1 HIS A 5 -20.534 1.443 -3.897 1.00 12.97 N ATOM 53 CD2 HIS A 5 -18.630 2.335 -3.315 1.00 12.16 C ATOM 54 CE1 HIS A 5 -20.701 1.968 -2.699 1.00 13.28 C ATOM 55 NE2 HIS A 5 -19.559 2.507 -2.316 1.00 13.38 N ATOM 56 H HIS A 5 -19.521 -1.828 -4.728 1.00 0.00 H ATOM 57 N VAL A 6 -16.097 -0.158 -4.940 1.00 9.11 N ATOM 58 CA VAL A 6 -14.996 -0.216 -4.003 1.00 8.50 C ATOM 59 C VAL A 6 -15.334 0.777 -2.916 1.00 8.71 C ATOM 60 O VAL A 6 -15.414 1.989 -3.182 1.00 8.43 O ATOM 61 CB VAL A 6 -13.636 0.185 -4.645 1.00 8.05 C ATOM 62 CG1 VAL A 6 -12.516 0.177 -3.616 1.00 7.63 C ATOM 63 CG2 VAL A 6 -13.293 -0.771 -5.786 1.00 8.31 C ATOM 64 H VAL A 6 -15.931 0.295 -5.861 1.00 0.00 H ATOM 65 N GLN A 7 -15.465 0.294 -1.689 1.00 8.87 N ATOM 66 CA GLN A 7 -15.673 1.182 -0.583 1.00 9.35 C ATOM 67 C GLN A 7 -14.427 1.938 -0.251 1.00 9.11 C ATOM 68 O GLN A 7 -14.452 3.159 0.001 1.00 8.66 O ATOM 69 CB GLN A 7 -16.182 0.424 0.660 1.00 10.18 C ATOM 70 CG GLN A 7 -16.514 1.329 1.839 1.00 11.87 C ATOM 71 CD GLN A 7 -16.975 0.570 3.095 1.00 14.06 C ATOM 72 OE1 GLN A 7 -16.842 1.074 4.238 1.00 17.83 O ATOM 73 NE2 GLN A 7 -17.569 -0.586 2.895 1.00 14.86 N ATOM 74 HE22 GLN A 7 -17.657 -0.966 1.931 1.00 0.00 H ATOM 75 HE21 GLN A 7 -17.951 -1.121 3.701 1.00 0.00 H ATOM 76 H GLN A 7 -15.417 -0.732 -1.528 1.00 0.00 H ATOM 77 N LEU A 8 -13.320 1.218 -0.194 1.00 9.39 N ATOM 78 CA LEU A 8 -12.051 1.867 0.158 1.00 9.09 C ATOM 79 C LEU A 8 -10.903 0.961 -0.212 1.00 9.12 C ATOM 80 O LEU A 8 -11.080 -0.223 -0.389 1.00 7.61 O ATOM 81 CB LEU A 8 -11.998 2.215 1.674 1.00 9.70 C ATOM 82 CG LEU A 8 -12.291 1.090 2.669 1.00 9.99 C ATOM 83 CD1 LEU A 8 -11.047 0.240 2.912 1.00 10.39 C ATOM 84 CD2 LEU A 8 -12.890 1.616 3.976 1.00 10.45 C ATOM 85 H LEU A 8 -13.348 0.198 -0.397 1.00 0.00 H ATOM 86 N PHE A 9 -9.712 1.553 -0.283 1.00 9.11 N ATOM 87 CA PHE A 9 -8.470 0.781 -0.471 1.00 9.13 C ATOM 88 C PHE A 9 -7.399 1.464 0.361 1.00 8.64 C ATOM 89 O PHE A 9 -7.626 2.565 0.861 1.00 8.48 O ATOM 90 CB PHE A 9 -8.080 0.685 -1.941 1.00 9.12 C ATOM 91 CG PHE A 9 -7.820 1.999 -2.575 1.00 9.88 C ATOM 92 CD1 PHE A 9 -8.859 2.741 -3.135 1.00 10.81 C ATOM 93 CD2 PHE A 9 -6.545 2.496 -2.629 1.00 10.27 C ATOM 94 CE1 PHE A 9 -8.616 3.976 -3.705 1.00 10.77 C ATOM 95 CE2 PHE A 9 -6.291 3.725 -3.186 1.00 10.35 C ATOM 96 CZ PHE A 9 -7.338 4.473 -3.708 1.00 10.99 C ATOM 97 H PHE A 9 -9.657 2.588 -0.204 1.00 0.00 H ATOM 98 N SER A 10 -6.266 0.784 0.520 1.00 8.16 N ATOM 99 CA SER A 10 -5.281 1.183 1.514 1.00 8.03 C ATOM 100 C SER A 10 -4.023 1.757 0.836 1.00 7.85 C ATOM 101 O SER A 10 -3.599 1.262 -0.240 1.00 8.59 O ATOM 102 CB SER A 10 -4.947 -0.013 2.384 1.00 8.00 C ATOM 103 OG SER A 10 -6.072 -0.376 3.206 1.00 8.97 O ATOM 104 HG SER A 10 -6.842 -0.606 2.627 1.00 0.00 H ATOM 105 H SER A 10 -6.081 -0.047 -0.077 1.00 0.00 H ATOM 106 N VAL A 11 -3.405 2.749 1.492 1.00 8.03 N ATOM 107 CA VAL A 11 -2.195 3.412 1.036 1.00 7.80 C ATOM 108 C VAL A 11 -1.182 3.277 2.227 1.00 8.00 C ATOM 109 O VAL A 11 -1.501 3.686 3.338 1.00 8.23 O ATOM 110 CB VAL A 11 -2.402 4.906 0.761 1.00 7.80 C ATOM 111 CG1 VAL A 11 -1.074 5.540 0.310 1.00 8.10 C ATOM 112 CG2 VAL A 11 -3.498 5.095 -0.274 1.00 7.95 C ATOM 113 H VAL A 11 -3.821 3.067 2.391 1.00 0.00 H ATOM 114 N PRO A 12 -0.025 2.628 1.994 1.00 8.23 N ATOM 115 CA PRO A 12 0.912 2.307 3.076 1.00 8.40 C ATOM 116 C PRO A 12 1.821 3.506 3.398 1.00 8.67 C ATOM 117 O PRO A 12 2.532 4.058 2.517 1.00 8.16 O ATOM 118 CB PRO A 12 1.694 1.134 2.512 1.00 8.31 C ATOM 119 CG PRO A 12 1.810 1.420 1.033 1.00 8.43 C ATOM 120 CD PRO A 12 0.472 2.141 0.690 1.00 8.36 C ATOM 121 N VAL A 13 1.721 3.952 4.638 1.00 9.42 N ATOM 122 CA VAL A 13 2.453 5.114 5.091 1.00 9.74 C ATOM 123 C VAL A 13 3.291 4.724 6.343 1.00 10.75 C ATOM 124 O VAL A 13 3.033 3.716 6.945 1.00 11.86 O ATOM 125 CB VAL A 13 1.502 6.288 5.371 1.00 9.53 C ATOM 126 CG1 VAL A 13 0.639 6.612 4.156 1.00 9.86 C ATOM 127 CG2 VAL A 13 0.613 6.018 6.565 1.00 9.57 C ATOM 128 H VAL A 13 1.099 3.454 5.306 1.00 0.00 H ATOM 129 N SER A 14 4.249 5.563 6.748 1.00 11.93 N ATOM 130 CA SER A 14 5.049 5.334 7.961 1.00 12.80 C ATOM 131 C SER A 14 4.482 6.235 9.062 1.00 14.59 C ATOM 132 O SER A 14 3.721 5.785 9.906 1.00 17.20 O ATOM 133 CB SER A 14 6.541 5.542 7.685 1.00 12.75 C ATOM 134 OG SER A 14 6.787 6.874 7.347 1.00 12.38 O ATOM 135 HG SER A 14 6.271 7.108 6.535 1.00 0.00 H ATOM 136 H SER A 14 4.437 6.414 6.181 1.00 0.00 H ATOM 137 N ASP A 15 4.765 7.517 9.011 1.00 14.72 N ATOM 138 CA ASP A 15 4.253 8.446 9.997 1.00 15.12 C ATOM 139 C ASP A 15 2.823 8.838 9.609 1.00 13.80 C ATOM 140 O ASP A 15 2.617 9.550 8.635 1.00 12.86 O ATOM 141 CB ASP A 15 5.211 9.645 10.088 1.00 15.90 C ATOM 142 CG ASP A 15 4.774 10.704 11.104 1.00 18.08 C ATOM 143 OD1 ASP A 15 3.570 10.863 11.405 1.00 17.33 O ATOM 144 OD2 ASP A 15 5.686 11.403 11.614 1.00 18.55 O ATOM 145 H ASP A 15 5.371 7.873 8.244 1.00 0.00 H ATOM 146 N GLN A 16 1.837 8.364 10.378 1.00 13.51 N ATOM 147 CA GLN A 16 0.445 8.604 10.005 1.00 13.87 C ATOM 148 C GLN A 16 -0.005 10.060 10.242 1.00 14.58 C ATOM 149 O GLN A 16 -0.919 10.548 9.565 1.00 14.71 O ATOM 150 CB GLN A 16 -0.507 7.640 10.701 1.00 13.20 C ATOM 151 CG GLN A 16 -0.346 6.208 10.285 1.00 12.77 C ATOM 152 CD GLN A 16 -1.243 5.332 11.100 1.00 13.31 C ATOM 153 OE1 GLN A 16 -1.006 5.152 12.294 1.00 14.08 O ATOM 154 NE2 GLN A 16 -2.320 4.829 10.506 1.00 13.44 N ATOM 155 HE22 GLN A 16 -2.485 5.004 9.494 1.00 0.00 H ATOM 156 HE21 GLN A 16 -2.998 4.261 11.053 1.00 0.00 H ATOM 157 H GLN A 16 2.061 7.826 11.239 1.00 0.00 H ATOM 158 N GLU A 17 0.611 10.755 11.191 1.00 15.45 N ATOM 159 CA GLU A 17 0.240 12.153 11.425 1.00 16.11 C ATOM 160 C GLU A 17 0.757 12.984 10.268 1.00 15.42 C ATOM 161 O GLU A 17 0.081 13.900 9.782 1.00 15.58 O ATOM 162 CB GLU A 17 0.795 12.673 12.747 1.00 17.62 C ATOM 163 CG GLU A 17 0.191 14.016 13.140 1.00 18.90 C ATOM 164 CD GLU A 17 -1.270 13.920 13.543 1.00 19.66 C ATOM 165 OE1 GLU A 17 -1.948 14.992 13.562 1.00 22.33 O ATOM 166 OE2 GLU A 17 -1.749 12.799 13.848 1.00 19.46 O ATOM 167 H GLU A 17 1.354 10.309 11.766 1.00 0.00 H ATOM 168 N LYS A 18 1.923 12.627 9.768 1.00 14.84 N ATOM 169 CA LYS A 18 2.487 13.357 8.627 1.00 15.71 C ATOM 170 C LYS A 18 1.635 13.095 7.368 1.00 14.12 C ATOM 171 O LYS A 18 1.282 14.043 6.619 1.00 12.82 O ATOM 172 CB LYS A 18 3.934 12.953 8.432 1.00 17.21 C ATOM 173 CG LYS A 18 4.654 13.587 7.239 1.00 20.77 C ATOM 174 CD LYS A 18 5.378 14.880 7.561 1.00 22.73 C ATOM 175 CE LYS A 18 6.256 15.321 6.396 1.00 24.06 C ATOM 176 NZ LYS A 18 7.143 16.452 6.818 1.00 22.44 N ATOM 177 HZ1 LYS A 18 6.557 17.254 7.127 1.00 0.00 H ATOM 178 HZ2 LYS A 18 7.749 16.141 7.604 1.00 0.00 H ATOM 179 HZ3 LYS A 18 7.737 16.744 6.015 1.00 0.00 H ATOM 180 H LYS A 18 2.443 11.828 10.182 1.00 0.00 H ATOM 181 N ALA A 19 1.271 11.834 7.170 1.00 13.84 N ATOM 182 CA ALA A 19 0.397 11.483 6.028 1.00 13.27 C ATOM 183 C ALA A 19 -0.966 12.160 6.124 1.00 13.31 C ATOM 184 O ALA A 19 -1.455 12.644 5.125 1.00 11.36 O ATOM 185 CB ALA A 19 0.212 9.990 5.912 1.00 13.65 C ATOM 186 H ALA A 19 1.601 11.091 7.819 1.00 0.00 H ATOM 187 N LYS A 20 -1.581 12.194 7.308 1.00 13.76 N ATOM 188 CA LYS A 20 -2.856 12.895 7.487 1.00 14.22 C ATOM 189 C LYS A 20 -2.770 14.350 7.036 1.00 13.71 C ATOM 190 O LYS A 20 -3.595 14.818 6.244 1.00 15.27 O ATOM 191 CB LYS A 20 -3.317 12.860 8.977 1.00 16.33 C ATOM 192 CG LYS A 20 -4.503 13.785 9.334 1.00 17.71 C ATOM 193 CD LYS A 20 -4.868 13.644 10.825 1.00 19.45 C ATOM 194 CE LYS A 20 -6.031 14.548 11.168 1.00 21.84 C ATOM 195 NZ LYS A 20 -6.542 14.371 12.548 1.00 22.07 N ATOM 196 HZ1 LYS A 20 -6.866 13.391 12.673 1.00 0.00 H ATOM 197 HZ2 LYS A 20 -5.781 14.576 13.227 1.00 0.00 H ATOM 198 HZ3 LYS A 20 -7.336 15.023 12.709 1.00 0.00 H ATOM 199 H LYS A 20 -1.146 11.713 8.121 1.00 0.00 H ATOM 200 N ASP A 21 -1.788 15.081 7.522 1.00 13.92 N ATOM 201 CA ASP A 21 -1.691 16.479 7.129 1.00 13.30 C ATOM 202 C ASP A 21 -1.366 16.627 5.638 1.00 12.23 C ATOM 203 O ASP A 21 -1.848 17.558 5.025 1.00 11.86 O ATOM 204 CB ASP A 21 -0.701 17.236 8.011 1.00 14.34 C ATOM 205 CG ASP A 21 -1.174 17.341 9.445 1.00 15.44 C ATOM 206 OD1 ASP A 21 -2.404 17.181 9.711 1.00 16.11 O ATOM 207 OD2 ASP A 21 -0.300 17.564 10.306 1.00 16.75 O ATOM 208 H ASP A 21 -1.094 14.666 8.176 1.00 0.00 H ATOM 209 N PHE A 22 -0.601 15.712 5.039 1.00 11.50 N ATOM 210 CA PHE A 22 -0.354 15.800 3.593 1.00 11.14 C ATOM 211 C PHE A 22 -1.650 15.614 2.785 1.00 10.51 C ATOM 212 O PHE A 22 -2.049 16.489 1.992 1.00 10.42 O ATOM 213 CB PHE A 22 0.696 14.785 3.151 1.00 11.34 C ATOM 214 CG PHE A 22 0.983 14.832 1.710 1.00 11.47 C ATOM 215 CD1 PHE A 22 1.847 15.813 1.187 1.00 11.45 C ATOM 216 CD2 PHE A 22 0.386 13.960 0.851 1.00 11.19 C ATOM 217 CE1 PHE A 22 2.116 15.835 -0.158 1.00 11.38 C ATOM 218 CE2 PHE A 22 0.646 13.992 -0.487 1.00 12.03 C ATOM 219 CZ PHE A 22 1.513 14.935 -0.998 1.00 12.05 C ATOM 220 H PHE A 22 -0.181 14.939 5.594 1.00 0.00 H ATOM 221 N TYR A 23 -2.346 14.509 3.061 1.00 9.95 N ATOM 222 CA TYR A 23 -3.598 14.196 2.351 1.00 9.80 C ATOM 223 C TYR A 23 -4.731 15.213 2.618 1.00 10.02 C ATOM 224 O TYR A 23 -5.462 15.570 1.708 1.00 9.34 O ATOM 225 CB TYR A 23 -4.040 12.752 2.604 1.00 9.93 C ATOM 226 CG TYR A 23 -3.173 11.774 1.838 1.00 9.89 C ATOM 227 CD1 TYR A 23 -2.032 11.242 2.386 1.00 9.99 C ATOM 228 CD2 TYR A 23 -3.467 11.467 0.489 1.00 10.28 C ATOM 229 CE1 TYR A 23 -1.230 10.363 1.653 1.00 10.32 C ATOM 230 CE2 TYR A 23 -2.687 10.605 -0.252 1.00 9.83 C ATOM 231 CZ TYR A 23 -1.557 10.061 0.335 1.00 10.26 C ATOM 232 OH TYR A 23 -0.767 9.215 -0.389 1.00 9.66 O ATOM 233 HH TYR A 23 -0.006 8.916 0.170 1.00 0.00 H ATOM 234 H TYR A 23 -1.997 13.856 3.792 1.00 0.00 H ATOM 235 N VAL A 24 -4.895 15.634 3.863 1.00 10.54 N ATOM 236 CA VAL A 24 -5.972 16.561 4.204 1.00 11.61 C ATOM 237 C VAL A 24 -5.613 17.993 3.824 1.00 12.22 C ATOM 238 O VAL A 24 -6.350 18.623 3.074 1.00 10.92 O ATOM 239 CB VAL A 24 -6.394 16.433 5.661 1.00 12.03 C ATOM 240 CG1 VAL A 24 -7.415 17.515 6.044 1.00 13.17 C ATOM 241 CG2 VAL A 24 -6.936 15.022 5.931 1.00 12.58 C ATOM 242 H VAL A 24 -4.249 15.301 4.607 1.00 0.00 H ATOM 243 N GLU A 25 -4.512 18.512 4.345 1.00 14.14 N ATOM 244 CA GLU A 25 -4.190 19.934 4.155 1.00 16.21 C ATOM 245 C GLU A 25 -3.573 20.236 2.792 1.00 16.08 C ATOM 246 O GLU A 25 -3.951 21.212 2.147 1.00 15.80 O ATOM 247 CB GLU A 25 -3.247 20.470 5.246 1.00 19.73 C ATOM 248 CG GLU A 25 -3.725 20.344 6.693 1.00 24.03 C ATOM 249 CD GLU A 25 -5.069 20.991 6.950 1.00 28.15 C ATOM 250 OE1 GLU A 25 -5.811 20.486 7.834 1.00 35.17 O ATOM 251 OE2 GLU A 25 -5.406 21.984 6.243 1.00 31.77 O ATOM 252 H GLU A 25 -3.868 17.908 4.894 1.00 0.00 H ATOM 253 N THR A 26 -2.625 19.418 2.335 1.00 14.63 N ATOM 254 CA THR A 26 -1.911 19.722 1.079 1.00 14.92 C ATOM 255 C THR A 26 -2.680 19.307 -0.157 1.00 14.94 C ATOM 256 O THR A 26 -2.839 20.087 -1.091 1.00 15.46 O ATOM 257 CB THR A 26 -0.523 19.075 1.064 1.00 15.69 C ATOM 258 OG1 THR A 26 0.184 19.503 2.227 1.00 16.58 O ATOM 259 CG2 THR A 26 0.260 19.419 -0.136 1.00 15.62 C ATOM 260 HG1 THR A 26 0.269 20.489 2.216 1.00 0.00 H ATOM 261 H THR A 26 -2.386 18.558 2.868 1.00 0.00 H ATOM 262 N VAL A 27 -3.180 18.072 -0.154 1.00 13.27 N ATOM 263 CA VAL A 27 -3.964 17.545 -1.269 1.00 12.54 C ATOM 264 C VAL A 27 -5.438 17.941 -1.181 1.00 11.84 C ATOM 265 O VAL A 27 -6.142 17.824 -2.172 1.00 11.97 O ATOM 266 CB VAL A 27 -3.818 16.023 -1.379 1.00 12.94 C ATOM 267 CG1 VAL A 27 -4.489 15.433 -2.609 1.00 13.09 C ATOM 268 CG2 VAL A 27 -2.335 15.659 -1.441 1.00 13.89 C ATOM 269 H VAL A 27 -3.006 17.462 0.670 1.00 0.00 H ATOM 270 N GLY A 28 -5.895 18.334 0.001 1.00 10.86 N ATOM 271 CA GLY A 28 -7.254 18.838 0.188 1.00 10.94 C ATOM 272 C GLY A 28 -8.364 17.831 0.369 1.00 10.27 C ATOM 273 O GLY A 28 -9.505 18.150 0.049 1.00 9.61 O ATOM 274 H GLY A 28 -5.263 18.281 0.825 1.00 0.00 H ATOM 275 N PHE A 29 -8.033 16.595 0.790 1.00 9.39 N ATOM 276 CA PHE A 29 -9.050 15.580 0.959 1.00 9.03 C ATOM 277 C PHE A 29 -9.792 15.833 2.234 1.00 8.42 C ATOM 278 O PHE A 29 -9.249 16.448 3.170 1.00 7.79 O ATOM 279 CB PHE A 29 -8.501 14.140 1.058 1.00 9.43 C ATOM 280 CG PHE A 29 -8.005 13.527 -0.234 1.00 10.41 C ATOM 281 CD1 PHE A 29 -8.098 14.132 -1.491 1.00 10.96 C ATOM 282 CD2 PHE A 29 -7.438 12.260 -0.173 1.00 11.54 C ATOM 283 CE1 PHE A 29 -7.614 13.494 -2.650 1.00 11.23 C ATOM 284 CE2 PHE A 29 -6.948 11.622 -1.326 1.00 11.92 C ATOM 285 CZ PHE A 29 -7.036 12.239 -2.553 1.00 10.90 C ATOM 286 H PHE A 29 -7.039 16.369 0.995 1.00 0.00 H ATOM 287 N ASP A 30 -11.029 15.355 2.275 1.00 8.25 N ATOM 288 CA ASP A 30 -11.804 15.336 3.511 1.00 8.41 C ATOM 289 C ASP A 30 -11.277 14.234 4.449 1.00 8.84 C ATOM 290 O ASP A 30 -10.945 13.164 4.010 1.00 7.88 O ATOM 291 CB ASP A 30 -13.318 15.108 3.248 1.00 8.71 C ATOM 292 CG ASP A 30 -14.074 16.398 2.905 1.00 8.80 C ATOM 293 OD1 ASP A 30 -13.485 17.331 2.314 1.00 9.50 O ATOM 294 OD2 ASP A 30 -15.272 16.479 3.212 1.00 8.59 O ATOM 295 H ASP A 30 -11.458 14.984 1.403 1.00 0.00 H ATOM 296 N LEU A 31 -11.247 14.538 5.734 1.00 9.57 N ATOM 297 CA LEU A 31 -10.916 13.581 6.767 1.00 10.35 C ATOM 298 C LEU A 31 -12.192 12.907 7.135 1.00 10.62 C ATOM 299 O LEU A 31 -13.093 13.564 7.706 1.00 10.75 O ATOM 300 CB LEU A 31 -10.339 14.270 8.024 1.00 11.25 C ATOM 301 CG LEU A 31 -10.045 13.331 9.185 1.00 11.97 C ATOM 302 CD1 LEU A 31 -8.959 12.306 8.823 1.00 12.41 C ATOM 303 CD2 LEU A 31 -9.664 14.120 10.437 1.00 13.06 C ATOM 304 H LEU A 31 -11.472 15.513 6.017 1.00 0.00 H ATOM 305 N LEU A 32 -12.339 11.641 6.783 1.00 10.88 N ATOM 306 CA LEU A 32 -13.574 10.932 7.099 1.00 12.17 C ATOM 307 C LEU A 32 -13.589 10.390 8.511 1.00 12.32 C ATOM 308 O LEU A 32 -14.629 10.438 9.185 1.00 11.73 O ATOM 309 CB LEU A 32 -13.914 9.835 6.091 1.00 12.16 C ATOM 310 CG LEU A 32 -14.000 10.230 4.622 1.00 12.41 C ATOM 311 CD1 LEU A 32 -14.512 9.030 3.817 1.00 12.76 C ATOM 312 CD2 LEU A 32 -14.920 11.436 4.468 1.00 13.74 C ATOM 313 H LEU A 32 -11.573 11.150 6.280 1.00 0.00 H ATOM 314 N ALA A 33 -12.456 9.885 8.974 1.00 13.34 N ATOM 315 CA ALA A 33 -12.406 9.164 10.254 1.00 13.54 C ATOM 316 C ALA A 33 -10.971 9.121 10.723 1.00 13.96 C ATOM 317 O ALA A 33 -10.029 9.057 9.884 1.00 12.27 O ATOM 318 CB ALA A 33 -12.972 7.721 10.084 1.00 14.24 C ATOM 319 H ALA A 33 -11.583 10.001 8.420 1.00 0.00 H ATOM 320 N ASP A 34 -10.794 9.179 12.050 1.00 14.57 N ATOM 321 CA ASP A 34 -9.491 9.109 12.681 1.00 15.32 C ATOM 322 C ASP A 34 -9.767 8.561 14.088 1.00 17.18 C ATOM 323 O ASP A 34 -10.216 9.295 14.980 1.00 16.03 O ATOM 324 CB ASP A 34 -8.808 10.502 12.723 1.00 16.78 C ATOM 325 CG ASP A 34 -7.372 10.464 13.287 1.00 17.75 C ATOM 326 OD1 ASP A 34 -6.876 9.386 13.665 1.00 19.15 O ATOM 327 OD2 ASP A 34 -6.689 11.519 13.307 1.00 19.94 O ATOM 328 H ASP A 34 -11.633 9.279 12.657 1.00 0.00 H ATOM 329 N GLN A 35 -9.576 7.261 14.256 1.00 18.45 N ATOM 330 CA GLN A 35 -9.967 6.592 15.488 1.00 21.04 C ATOM 331 C GLN A 35 -9.206 5.296 15.636 1.00 21.26 C ATOM 332 O GLN A 35 -8.532 4.858 14.691 1.00 19.10 O ATOM 333 CB GLN A 35 -11.458 6.324 15.486 1.00 23.94 C ATOM 334 CG GLN A 35 -11.920 5.315 14.446 1.00 25.87 C ATOM 335 CD GLN A 35 -13.228 5.702 13.782 1.00 30.02 C ATOM 336 OE1 GLN A 35 -13.745 6.822 13.961 1.00 34.61 O ATOM 337 NE2 GLN A 35 -13.760 4.794 12.985 1.00 32.08 N ATOM 338 HE22 GLN A 35 -13.295 3.872 12.864 1.00 0.00 H ATOM 339 HE21 GLN A 35 -14.644 5.001 12.478 1.00 0.00 H ATOM 340 H GLN A 35 -9.138 6.707 13.492 1.00 0.00 H ATOM 341 N PRO A 36 -9.305 4.658 16.820 1.00 22.92 N ATOM 342 CA PRO A 36 -8.612 3.372 16.948 1.00 22.79 C ATOM 343 C PRO A 36 -9.268 2.294 16.091 1.00 23.18 C ATOM 344 O PRO A 36 -10.489 2.268 15.932 1.00 22.18 O ATOM 345 CB PRO A 36 -8.736 3.031 18.439 1.00 23.51 C ATOM 346 CG PRO A 36 -9.140 4.278 19.115 1.00 23.61 C ATOM 347 CD PRO A 36 -9.880 5.108 18.100 1.00 23.55 C ATOM 348 N GLY A 37 -8.450 1.433 15.509 1.00 22.32 N ATOM 349 CA GLY A 37 -8.936 0.308 14.731 1.00 23.26 C ATOM 350 C GLY A 37 -8.317 -0.955 15.274 1.00 24.68 C ATOM 351 O GLY A 37 -7.503 -0.912 16.197 1.00 22.86 O ATOM 352 H GLY A 37 -7.424 1.566 15.612 1.00 0.00 H ATOM 353 N VAL A 38 -8.669 -2.071 14.648 1.00 29.31 N ATOM 354 CA VAL A 38 -8.264 -3.373 15.167 1.00 31.71 C ATOM 355 C VAL A 38 -6.744 -3.561 15.042 1.00 30.29 C ATOM 356 O VAL A 38 -6.152 -4.074 15.984 1.00 30.03 O ATOM 357 CB VAL A 38 -9.123 -4.566 14.619 1.00 34.76 C ATOM 358 CG1 VAL A 38 -9.346 -4.453 13.124 1.00 37.17 C ATOM 359 CG2 VAL A 38 -8.514 -5.931 14.963 1.00 34.47 C ATOM 360 H VAL A 38 -9.239 -2.017 13.780 1.00 0.00 H ATOM 361 N HIS A 39 -6.114 -3.098 13.950 1.00 27.63 N ATOM 362 CA HIS A 39 -4.656 -3.263 13.758 1.00 29.02 C ATOM 363 C HIS A 39 -3.835 -1.991 13.987 1.00 27.20 C ATOM 364 O HIS A 39 -2.630 -2.007 13.747 1.00 29.27 O ATOM 365 CB HIS A 39 -4.347 -3.831 12.367 1.00 31.52 C ATOM 366 CG HIS A 39 -4.948 -5.180 12.124 1.00 36.46 C ATOM 367 ND1 HIS A 39 -6.127 -5.351 11.428 1.00 38.73 N ATOM 368 CD2 HIS A 39 -4.555 -6.416 12.514 1.00 38.68 C ATOM 369 CE1 HIS A 39 -6.424 -6.637 11.376 1.00 40.82 C ATOM 370 NE2 HIS A 39 -5.487 -7.304 12.028 1.00 43.13 N ATOM 371 H HIS A 39 -6.667 -2.609 13.218 1.00 0.00 H ATOM 372 N GLY A 40 -4.468 -0.919 14.464 1.00 23.16 N ATOM 373 CA GLY A 40 -3.790 0.365 14.652 1.00 22.95 C ATOM 374 C GLY A 40 -4.714 1.560 14.486 1.00 20.37 C ATOM 375 O GLY A 40 -5.932 1.437 14.629 1.00 21.86 O ATOM 376 H GLY A 40 -5.475 -0.997 14.710 1.00 0.00 H ATOM 377 N ARG A 41 -4.127 2.727 14.210 1.00 18.59 N ATOM 378 CA ARG A 41 -4.901 3.939 14.052 1.00 15.88 C ATOM 379 C ARG A 41 -5.578 3.863 12.678 1.00 14.97 C ATOM 380 O ARG A 41 -4.889 3.701 11.652 1.00 13.80 O ATOM 381 CB ARG A 41 -4.012 5.165 14.170 1.00 17.35 C ATOM 382 CG ARG A 41 -4.642 6.508 13.774 1.00 17.48 C ATOM 383 CD ARG A 41 -3.573 7.596 13.866 1.00 17.82 C ATOM 384 NE ARG A 41 -4.096 8.950 13.585 1.00 19.38 N ATOM 385 CZ ARG A 41 -3.359 10.073 13.582 1.00 19.60 C ATOM 386 NH1 ARG A 41 -2.061 10.047 13.886 1.00 19.60 N ATOM 387 NH2 ARG A 41 -3.927 11.254 13.322 1.00 20.53 N ATOM 388 HE ARG A 41 -5.110 9.040 13.374 1.00 0.00 H ATOM 389 HH12 ARG A 41 -1.507 10.927 13.878 1.00 0.00 H ATOM 390 HH11 ARG A 41 -1.602 9.146 14.131 1.00 0.00 H ATOM 391 HH22 ARG A 41 -3.350 12.119 13.321 1.00 0.00 H ATOM 392 HH21 ARG A 41 -4.946 11.308 13.120 1.00 0.00 H ATOM 393 H ARG A 41 -3.093 2.766 14.107 1.00 0.00 H ATOM 394 N TRP A 42 -6.899 3.983 12.675 1.00 13.67 N ATOM 395 CA TRP A 42 -7.706 4.003 11.444 1.00 12.73 C ATOM 396 C TRP A 42 -7.851 5.431 10.970 1.00 12.50 C ATOM 397 O TRP A 42 -8.484 6.243 11.638 1.00 13.02 O ATOM 398 CB TRP A 42 -9.075 3.386 11.678 1.00 12.70 C ATOM 399 CG TRP A 42 -9.970 3.367 10.499 1.00 12.82 C ATOM 400 CD1 TRP A 42 -10.907 4.309 10.160 1.00 13.10 C ATOM 401 CD2 TRP A 42 -10.047 2.350 9.520 1.00 12.22 C ATOM 402 NE1 TRP A 42 -11.566 3.927 9.048 1.00 13.43 N ATOM 403 CE2 TRP A 42 -11.024 2.741 8.598 1.00 13.02 C ATOM 404 CE3 TRP A 42 -9.355 1.138 9.317 1.00 11.83 C ATOM 405 CZ2 TRP A 42 -11.386 1.937 7.515 1.00 13.20 C ATOM 406 CZ3 TRP A 42 -9.677 0.362 8.234 1.00 12.38 C ATOM 407 CH2 TRP A 42 -10.693 0.756 7.335 1.00 13.00 C ATOM 408 HE1 TRP A 42 -12.353 4.441 8.603 1.00 0.00 H ATOM 409 H TRP A 42 -7.389 4.067 13.588 1.00 0.00 H ATOM 410 N LEU A 43 -7.250 5.721 9.825 1.00 11.06 N ATOM 411 CA LEU A 43 -7.190 7.056 9.288 1.00 12.05 C ATOM 412 C LEU A 43 -7.648 7.030 7.837 1.00 10.54 C ATOM 413 O LEU A 43 -6.994 6.430 6.980 1.00 9.79 O ATOM 414 CB LEU A 43 -5.768 7.595 9.454 1.00 13.06 C ATOM 415 CG LEU A 43 -5.446 8.972 8.915 1.00 15.09 C ATOM 416 CD1 LEU A 43 -6.166 10.074 9.720 1.00 16.72 C ATOM 417 CD2 LEU A 43 -3.941 9.223 8.948 1.00 15.95 C ATOM 418 H LEU A 43 -6.802 4.950 9.290 1.00 0.00 H ATOM 419 N GLN A 44 -8.779 7.688 7.574 1.00 10.26 N ATOM 420 CA GLN A 44 -9.542 7.473 6.372 1.00 9.86 C ATOM 421 C GLN A 44 -9.890 8.827 5.789 1.00 10.00 C ATOM 422 O GLN A 44 -10.413 9.706 6.511 1.00 9.34 O ATOM 423 CB GLN A 44 -10.789 6.677 6.691 1.00 10.14 C ATOM 424 CG GLN A 44 -11.674 6.345 5.513 1.00 10.29 C ATOM 425 CD GLN A 44 -12.929 5.568 5.916 1.00 10.80 C ATOM 426 OE1 GLN A 44 -13.227 5.380 7.106 1.00 11.37 O ATOM 427 NE2 GLN A 44 -13.681 5.117 4.913 1.00 11.12 N ATOM 428 HE22 GLN A 44 -13.397 5.296 3.929 1.00 0.00 H ATOM 429 HE21 GLN A 44 -14.552 4.586 5.114 1.00 0.00 H ATOM 430 H GLN A 44 -9.123 8.384 8.265 1.00 0.00 H ATOM 431 N VAL A 45 -9.558 8.978 4.504 1.00 9.38 N ATOM 432 CA VAL A 45 -9.682 10.257 3.813 1.00 9.32 C ATOM 433 C VAL A 45 -10.290 10.029 2.423 1.00 9.56 C ATOM 434 O VAL A 45 -10.203 8.923 1.842 1.00 8.36 O ATOM 435 CB VAL A 45 -8.297 10.960 3.672 1.00 9.29 C ATOM 436 CG1 VAL A 45 -7.659 11.234 5.022 1.00 9.10 C ATOM 437 CG2 VAL A 45 -7.331 10.136 2.819 1.00 9.69 C ATOM 438 H VAL A 45 -9.199 8.156 3.978 1.00 0.00 H ATOM 439 N ALA A 46 -10.876 11.088 1.868 1.00 9.34 N ATOM 440 CA ALA A 46 -11.461 10.995 0.519 1.00 9.12 C ATOM 441 C ALA A 46 -11.656 12.373 -0.109 1.00 9.20 C ATOM 442 O ALA A 46 -11.911 13.346 0.598 1.00 9.27 O ATOM 443 CB ALA A 46 -12.773 10.256 0.525 1.00 9.19 C ATOM 444 H ALA A 46 -10.921 11.986 2.390 1.00 0.00 H ATOM 445 N PRO A 47 -11.553 12.442 -1.439 1.00 9.71 N ATOM 446 CA PRO A 47 -12.078 13.681 -2.059 1.00 10.11 C ATOM 447 C PRO A 47 -13.522 13.867 -1.621 1.00 9.75 C ATOM 448 O PRO A 47 -14.309 12.889 -1.562 1.00 9.31 O ATOM 449 CB PRO A 47 -11.979 13.402 -3.560 1.00 9.86 C ATOM 450 CG PRO A 47 -10.993 12.287 -3.692 1.00 10.03 C ATOM 451 CD PRO A 47 -11.193 11.426 -2.457 1.00 9.81 C ATOM 452 N LYS A 48 -13.870 15.094 -1.270 1.00 10.46 N ATOM 453 CA LYS A 48 -15.237 15.393 -0.784 1.00 10.14 C ATOM 454 C LYS A 48 -16.340 14.803 -1.642 1.00 10.11 C ATOM 455 O LYS A 48 -16.469 15.123 -2.836 1.00 9.88 O ATOM 456 CB LYS A 48 -15.480 16.898 -0.711 1.00 10.44 C ATOM 457 CG LYS A 48 -16.728 17.255 0.101 1.00 10.90 C ATOM 458 CD LYS A 48 -16.994 18.758 0.216 1.00 10.08 C ATOM 459 CE LYS A 48 -16.018 19.447 1.165 1.00 10.21 C ATOM 460 NZ LYS A 48 -16.135 19.029 2.610 1.00 10.16 N ATOM 461 HZ1 LYS A 48 -17.092 19.245 2.956 1.00 0.00 H ATOM 462 HZ2 LYS A 48 -15.959 18.007 2.689 1.00 0.00 H ATOM 463 HZ3 LYS A 48 -15.435 19.548 3.177 1.00 0.00 H ATOM 464 H LYS A 48 -13.172 15.862 -1.336 1.00 0.00 H ATOM 465 N GLY A 49 -17.156 13.945 -1.017 1.00 10.12 N ATOM 466 CA GLY A 49 -18.352 13.434 -1.638 1.00 10.28 C ATOM 467 C GLY A 49 -18.129 12.188 -2.482 1.00 10.55 C ATOM 468 O GLY A 49 -19.052 11.738 -3.152 1.00 11.44 O ATOM 469 H GLY A 49 -16.919 13.637 -0.052 1.00 0.00 H ATOM 470 N ALA A 50 -16.919 11.640 -2.469 1.00 10.75 N ATOM 471 CA ALA A 50 -16.565 10.507 -3.331 1.00 10.66 C ATOM 472 C ALA A 50 -16.974 9.227 -2.635 1.00 10.76 C ATOM 473 O ALA A 50 -16.944 9.141 -1.400 1.00 10.69 O ATOM 474 CB ALA A 50 -15.091 10.471 -3.637 1.00 10.58 C ATOM 475 H ALA A 50 -16.199 12.027 -1.826 1.00 0.00 H ATOM 476 N ASP A 51 -17.389 8.271 -3.441 1.00 11.27 N ATOM 477 CA ASP A 51 -17.810 6.936 -2.975 1.00 11.19 C ATOM 478 C ASP A 51 -16.665 6.071 -2.456 1.00 10.40 C ATOM 479 O ASP A 51 -16.892 5.286 -1.570 1.00 10.48 O ATOM 480 CB ASP A 51 -18.516 6.135 -4.091 1.00 12.41 C ATOM 481 CG ASP A 51 -19.796 6.798 -4.594 1.00 14.27 C ATOM 482 OD1 ASP A 51 -20.352 7.688 -3.919 1.00 16.78 O ATOM 483 OD2 ASP A 51 -20.239 6.418 -5.674 1.00 14.79 O ATOM 484 H ASP A 51 -17.422 8.468 -4.462 1.00 0.00 H ATOM 485 N THR A 52 -15.485 6.154 -3.048 1.00 8.89 N ATOM 486 CA THR A 52 -14.340 5.306 -2.678 1.00 8.57 C ATOM 487 C THR A 52 -13.345 6.125 -1.894 1.00 9.13 C ATOM 488 O THR A 52 -12.882 7.184 -2.374 1.00 9.64 O ATOM 489 CB THR A 52 -13.663 4.762 -3.930 1.00 8.45 C ATOM 490 OG1 THR A 52 -14.632 4.006 -4.688 1.00 8.76 O ATOM 491 CG2 THR A 52 -12.439 3.898 -3.563 1.00 8.31 C ATOM 492 HG1 THR A 52 -14.970 3.257 -4.135 1.00 0.00 H ATOM 493 H THR A 52 -15.360 6.851 -3.810 1.00 0.00 H ATOM 494 N SER A 53 -13.078 5.702 -0.676 1.00 8.68 N ATOM 495 CA SER A 53 -12.112 6.387 0.202 1.00 8.64 C ATOM 496 C SER A 53 -10.775 5.674 0.296 1.00 8.61 C ATOM 497 O SER A 53 -10.599 4.576 -0.266 1.00 7.80 O ATOM 498 CB SER A 53 -12.715 6.622 1.598 1.00 8.72 C ATOM 499 OG SER A 53 -13.312 5.470 2.111 1.00 8.40 O ATOM 500 HG SER A 53 -14.039 5.179 1.505 1.00 0.00 H ATOM 501 H SER A 53 -13.566 4.855 -0.321 1.00 0.00 H ATOM 502 N LEU A 54 -9.823 6.310 1.000 1.00 8.90 N ATOM 503 CA LEU A 54 -8.467 5.780 1.160 1.00 9.22 C ATOM 504 C LEU A 54 -8.150 5.685 2.618 1.00 9.13 C ATOM 505 O LEU A 54 -8.439 6.613 3.366 1.00 8.07 O ATOM 506 CB LEU A 54 -7.392 6.685 0.524 1.00 10.53 C ATOM 507 CG LEU A 54 -7.531 7.027 -0.956 1.00 11.76 C ATOM 508 CD1 LEU A 54 -8.580 8.111 -1.238 1.00 12.86 C ATOM 509 CD2 LEU A 54 -6.196 7.546 -1.404 1.00 13.03 C ATOM 510 H LEU A 54 -10.059 7.217 1.450 1.00 0.00 H ATOM 511 N VAL A 55 -7.483 4.599 3.019 1.00 9.07 N ATOM 512 CA VAL A 55 -7.120 4.394 4.420 1.00 9.12 C ATOM 513 C VAL A 55 -5.598 4.432 4.490 1.00 9.20 C ATOM 514 O VAL A 55 -4.931 3.735 3.746 1.00 8.53 O ATOM 515 CB VAL A 55 -7.682 3.074 4.981 1.00 9.92 C ATOM 516 CG1 VAL A 55 -7.446 2.971 6.454 1.00 9.75 C ATOM 517 CG2 VAL A 55 -9.177 2.978 4.714 1.00 10.38 C ATOM 518 H VAL A 55 -7.215 3.881 2.316 1.00 0.00 H ATOM 519 N LEU A 56 -5.063 5.264 5.372 1.00 8.84 N ATOM 520 CA LEU A 56 -3.626 5.512 5.425 1.00 9.44 C ATOM 521 C LEU A 56 -3.102 4.584 6.504 1.00 10.06 C ATOM 522 O LEU A 56 -3.212 4.875 7.675 1.00 10.53 O ATOM 523 CB LEU A 56 -3.348 6.984 5.739 1.00 9.72 C ATOM 524 CG LEU A 56 -4.069 7.920 4.772 1.00 9.85 C ATOM 525 CD1 LEU A 56 -3.869 9.385 5.200 1.00 10.55 C ATOM 526 CD2 LEU A 56 -3.662 7.735 3.325 1.00 9.92 C ATOM 527 H LEU A 56 -5.685 5.754 6.046 1.00 0.00 H ATOM 528 N VAL A 57 -2.557 3.453 6.086 1.00 9.64 N ATOM 529 CA VAL A 57 -2.280 2.338 7.018 1.00 10.31 C ATOM 530 C VAL A 57 -0.809 2.082 7.170 1.00 10.85 C ATOM 531 O VAL A 57 -0.018 2.400 6.282 1.00 9.64 O ATOM 532 CB VAL A 57 -2.901 1.012 6.515 1.00 10.24 C ATOM 533 CG1 VAL A 57 -4.354 1.191 6.179 1.00 11.03 C ATOM 534 CG2 VAL A 57 -2.145 0.459 5.290 1.00 10.11 C ATOM 535 H VAL A 57 -2.318 3.345 5.080 1.00 0.00 H ATOM 536 N ASP A 58 -0.427 1.408 8.251 1.00 11.24 N ATOM 537 CA ASP A 58 0.985 1.053 8.449 1.00 12.78 C ATOM 538 C ASP A 58 1.187 -0.384 8.886 1.00 13.80 C ATOM 539 O ASP A 58 2.250 -0.718 9.412 1.00 13.74 O ATOM 540 CB ASP A 58 1.643 2.019 9.436 1.00 13.94 C ATOM 541 CG ASP A 58 1.102 1.882 10.872 1.00 15.21 C ATOM 542 OD1 ASP A 58 0.040 1.294 11.115 1.00 14.84 O ATOM 543 OD2 ASP A 58 1.807 2.366 11.757 1.00 16.63 O ATOM 544 H ASP A 58 -1.133 1.130 8.962 1.00 0.00 H ATOM 545 N TRP A 59 0.189 -1.230 8.669 1.00 13.65 N ATOM 546 CA TRP A 59 0.200 -2.556 9.302 1.00 15.98 C ATOM 547 C TRP A 59 0.220 -3.739 8.344 1.00 15.57 C ATOM 548 O TRP A 59 0.036 -4.869 8.798 1.00 15.82 O ATOM 549 CB TRP A 59 -0.938 -2.666 10.338 1.00 15.36 C ATOM 550 CG TRP A 59 -2.292 -2.422 9.738 1.00 16.55 C ATOM 551 CD1 TRP A 59 -3.024 -3.282 8.963 1.00 16.80 C ATOM 552 CD2 TRP A 59 -3.094 -1.262 9.914 1.00 16.60 C ATOM 553 NE1 TRP A 59 -4.235 -2.716 8.630 1.00 17.91 N ATOM 554 CE2 TRP A 59 -4.303 -1.471 9.189 1.00 17.01 C ATOM 555 CE3 TRP A 59 -2.926 -0.070 10.623 1.00 17.26 C ATOM 556 CZ2 TRP A 59 -5.313 -0.529 9.141 1.00 18.02 C ATOM 557 CZ3 TRP A 59 -3.950 0.860 10.601 1.00 17.24 C ATOM 558 CH2 TRP A 59 -5.122 0.638 9.843 1.00 17.68 C ATOM 559 HE1 TRP A 59 -4.974 -3.162 8.050 1.00 0.00 H ATOM 560 H TRP A 59 -0.601 -0.955 8.051 1.00 0.00 H ATOM 561 N PHE A 60 0.461 -3.508 7.055 1.00 14.25 N ATOM 562 CA PHE A 60 0.577 -4.600 6.105 1.00 14.28 C ATOM 563 C PHE A 60 2.018 -4.799 5.642 1.00 13.78 C ATOM 564 O PHE A 60 2.523 -4.030 4.853 1.00 13.19 O ATOM 565 CB PHE A 60 -0.330 -4.381 4.888 1.00 14.61 C ATOM 566 CG PHE A 60 -1.797 -4.360 5.204 1.00 14.13 C ATOM 567 CD1 PHE A 60 -2.417 -5.463 5.762 1.00 14.46 C ATOM 568 CD2 PHE A 60 -2.573 -3.253 4.822 1.00 14.13 C ATOM 569 CE1 PHE A 60 -3.780 -5.448 6.039 1.00 15.18 C ATOM 570 CE2 PHE A 60 -3.922 -3.220 5.073 1.00 14.68 C ATOM 571 CZ PHE A 60 -4.540 -4.331 5.680 1.00 15.14 C ATOM 572 H PHE A 60 0.568 -2.528 6.723 1.00 0.00 H ATOM 573 N PRO A 61 2.707 -5.839 6.160 1.00 14.35 N ATOM 574 CA PRO A 61 4.094 -6.110 5.734 1.00 13.97 C ATOM 575 C PRO A 61 4.321 -6.232 4.265 1.00 12.66 C ATOM 576 O PRO A 61 5.355 -5.799 3.760 1.00 12.27 O ATOM 577 CB PRO A 61 4.405 -7.449 6.414 1.00 14.17 C ATOM 578 CG PRO A 61 3.566 -7.439 7.619 1.00 14.61 C ATOM 579 CD PRO A 61 2.259 -6.824 7.164 1.00 14.30 C ATOM 580 N THR A 62 3.350 -6.750 3.544 1.00 12.14 N ATOM 581 CA THR A 62 3.510 -6.892 2.111 1.00 12.38 C ATOM 582 C THR A 62 3.367 -5.569 1.338 1.00 12.09 C ATOM 583 O THR A 62 3.610 -5.559 0.130 1.00 11.75 O ATOM 584 CB THR A 62 2.509 -7.913 1.524 1.00 12.25 C ATOM 585 OG1 THR A 62 1.180 -7.490 1.770 1.00 11.45 O ATOM 586 CG2 THR A 62 2.701 -9.280 2.132 1.00 12.50 C ATOM 587 HG1 THR A 62 1.032 -6.608 1.345 1.00 0.00 H ATOM 588 H THR A 62 2.468 -7.057 4.002 1.00 0.00 H ATOM 589 N MET A 63 2.980 -4.491 2.038 1.00 11.75 N ATOM 590 CA MET A 63 2.882 -3.142 1.474 1.00 12.24 C ATOM 591 C MET A 63 3.772 -2.191 2.278 1.00 11.20 C ATOM 592 O MET A 63 3.301 -1.569 3.227 1.00 12.19 O ATOM 593 CB MET A 63 1.424 -2.635 1.510 1.00 12.82 C ATOM 594 CG MET A 63 0.448 -3.446 0.648 1.00 12.99 C ATOM 595 SD MET A 63 -1.290 -3.059 0.986 1.00 12.64 S ATOM 596 CE MET A 63 -1.289 -1.270 0.896 1.00 14.61 C ATOM 597 H MET A 63 2.735 -4.621 3.040 1.00 0.00 H ATOM 598 N PRO A 64 5.058 -2.112 1.939 1.00 11.54 N ATOM 599 CA PRO A 64 5.948 -1.225 2.713 1.00 11.46 C ATOM 600 C PRO A 64 5.560 0.229 2.511 1.00 11.57 C ATOM 601 O PRO A 64 5.013 0.586 1.443 1.00 10.58 O ATOM 602 CB PRO A 64 7.322 -1.494 2.130 1.00 11.55 C ATOM 603 CG PRO A 64 7.229 -2.884 1.576 1.00 12.03 C ATOM 604 CD PRO A 64 5.836 -3.029 1.074 1.00 11.98 C ATOM 605 N PRO A 65 5.844 1.063 3.519 1.00 11.85 N ATOM 606 CA PRO A 65 5.524 2.474 3.384 1.00 11.14 C ATOM 607 C PRO A 65 6.097 3.063 2.072 1.00 11.52 C ATOM 608 O PRO A 65 7.247 2.776 1.697 1.00 10.83 O ATOM 609 CB PRO A 65 6.179 3.111 4.613 1.00 11.66 C ATOM 610 CG PRO A 65 6.440 1.994 5.578 1.00 12.19 C ATOM 611 CD PRO A 65 6.513 0.732 4.799 1.00 11.46 C ATOM 612 N GLY A 66 5.294 3.834 1.349 1.00 10.75 N ATOM 613 CA GLY A 66 5.769 4.434 0.123 1.00 11.07 C ATOM 614 C GLY A 66 5.836 3.588 -1.139 1.00 11.27 C ATOM 615 O GLY A 66 6.281 4.083 -2.171 1.00 10.50 O ATOM 616 H GLY A 66 4.319 4.007 1.666 1.00 0.00 H ATOM 617 N SER A 67 5.318 2.353 -1.085 1.00 10.66 N ATOM 618 CA SER A 67 5.449 1.387 -2.183 1.00 10.06 C ATOM 619 C SER A 67 4.326 1.477 -3.218 1.00 10.41 C ATOM 620 O SER A 67 4.470 0.898 -4.291 1.00 9.79 O ATOM 621 CB SER A 67 5.484 -0.047 -1.627 1.00 9.94 C ATOM 622 OG SER A 67 4.306 -0.345 -0.910 1.00 9.64 O ATOM 623 HG SER A 67 4.214 0.286 -0.153 1.00 0.00 H ATOM 624 H SER A 67 4.801 2.067 -0.229 1.00 0.00 H ATOM 625 N LEU A 68 3.241 2.223 -2.913 1.00 10.07 N ATOM 626 CA LEU A 68 2.112 2.303 -3.847 1.00 10.83 C ATOM 627 C LEU A 68 2.434 3.096 -5.123 1.00 10.57 C ATOM 628 O LEU A 68 3.048 4.184 -5.096 1.00 10.34 O ATOM 629 CB LEU A 68 0.887 2.893 -3.142 1.00 11.68 C ATOM 630 CG LEU A 68 -0.417 3.048 -3.921 1.00 13.19 C ATOM 631 CD1 LEU A 68 -1.659 2.737 -3.095 1.00 13.60 C ATOM 632 CD2 LEU A 68 -0.517 4.472 -4.417 1.00 14.12 C ATOM 633 H LEU A 68 3.206 2.742 -2.013 1.00 0.00 H ATOM 634 N ARG A 69 1.967 2.549 -6.243 1.00 10.61 N ATOM 635 CA ARG A 69 2.019 3.188 -7.566 1.00 10.56 C ATOM 636 C ARG A 69 0.687 2.929 -8.268 1.00 10.29 C ATOM 637 O ARG A 69 -0.132 2.082 -7.849 1.00 9.53 O ATOM 638 CB ARG A 69 3.128 2.558 -8.438 1.00 11.02 C ATOM 639 CG ARG A 69 4.512 2.495 -7.823 1.00 11.46 C ATOM 640 CD ARG A 69 5.133 3.884 -7.779 1.00 12.14 C ATOM 641 NE ARG A 69 6.480 3.803 -7.240 1.00 12.92 N ATOM 642 CZ ARG A 69 6.805 3.816 -5.945 1.00 13.97 C ATOM 643 NH1 ARG A 69 8.088 3.725 -5.628 1.00 15.43 N ATOM 644 NH2 ARG A 69 5.899 4.000 -4.977 1.00 13.51 N ATOM 645 HE ARG A 69 7.260 3.728 -7.924 1.00 0.00 H ATOM 646 HH12 ARG A 69 8.379 3.732 -4.629 1.00 0.00 H ATOM 647 HH11 ARG A 69 8.805 3.647 -6.378 1.00 0.00 H ATOM 648 HH22 ARG A 69 6.196 4.003 -3.980 1.00 0.00 H ATOM 649 HH21 ARG A 69 4.898 4.140 -5.222 1.00 0.00 H ATOM 650 H ARG A 69 1.536 1.605 -6.178 1.00 0.00 H ATOM 651 N GLY A 70 0.493 3.630 -9.374 1.00 10.33 N ATOM 652 CA GLY A 70 -0.647 3.398 -10.233 1.00 10.92 C ATOM 653 C GLY A 70 -1.972 3.846 -9.671 1.00 11.21 C ATOM 654 O GLY A 70 -3.001 3.219 -9.931 1.00 10.69 O ATOM 655 H GLY A 70 1.179 4.368 -9.632 1.00 0.00 H ATOM 656 N LEU A 71 -1.926 4.910 -8.870 1.00 12.04 N ATOM 657 CA LEU A 71 -3.103 5.514 -8.294 1.00 12.25 C ATOM 658 C LEU A 71 -3.396 6.742 -9.138 1.00 12.45 C ATOM 659 O LEU A 71 -2.522 7.624 -9.313 1.00 13.82 O ATOM 660 CB LEU A 71 -2.860 5.857 -6.833 1.00 12.68 C ATOM 661 CG LEU A 71 -3.863 6.797 -6.137 1.00 14.48 C ATOM 662 CD1 LEU A 71 -5.226 6.176 -6.072 1.00 14.85 C ATOM 663 CD2 LEU A 71 -3.397 7.176 -4.732 1.00 16.18 C ATOM 664 H LEU A 71 -0.998 5.325 -8.650 1.00 0.00 H ATOM 665 N LEU A 72 -4.622 6.869 -9.618 1.00 11.69 N ATOM 666 CA LEU A 72 -4.959 8.035 -10.451 1.00 11.29 C ATOM 667 C LEU A 72 -6.205 8.714 -9.913 1.00 10.58 C ATOM 668 O LEU A 72 -7.259 8.094 -9.797 1.00 10.37 O ATOM 669 CB LEU A 72 -5.182 7.567 -11.876 1.00 12.20 C ATOM 670 CG LEU A 72 -5.277 8.637 -12.944 1.00 13.38 C ATOM 671 CD1 LEU A 72 -3.972 9.438 -12.993 1.00 13.95 C ATOM 672 CD2 LEU A 72 -5.520 7.979 -14.307 1.00 13.91 C ATOM 673 H LEU A 72 -5.343 6.150 -9.408 1.00 0.00 H ATOM 674 N LEU A 73 -6.093 9.993 -9.632 1.00 10.07 N ATOM 675 CA LEU A 73 -7.218 10.810 -9.204 1.00 10.39 C ATOM 676 C LEU A 73 -7.787 11.580 -10.354 1.00 11.54 C ATOM 677 O LEU A 73 -7.022 12.188 -11.140 1.00 12.30 O ATOM 678 CB LEU A 73 -6.772 11.830 -8.147 1.00 9.97 C ATOM 679 CG LEU A 73 -5.961 11.273 -6.975 1.00 9.46 C ATOM 680 CD1 LEU A 73 -5.519 12.419 -6.072 1.00 9.34 C ATOM 681 CD2 LEU A 73 -6.783 10.218 -6.223 1.00 9.45 C ATOM 682 H LEU A 73 -5.159 10.441 -9.720 1.00 0.00 H ATOM 683 N ARG A 74 -9.106 11.601 -10.474 1.00 12.57 N ATOM 684 CA ARG A 74 -9.737 12.390 -11.532 1.00 13.77 C ATOM 685 C ARG A 74 -9.908 13.818 -11.006 1.00 12.82 C ATOM 686 O ARG A 74 -10.403 14.026 -9.888 1.00 11.68 O ATOM 687 CB ARG A 74 -11.092 11.809 -11.945 1.00 16.56 C ATOM 688 CG ARG A 74 -11.696 12.512 -13.143 1.00 21.35 C ATOM 689 CD ARG A 74 -13.155 12.160 -13.340 1.00 25.64 C ATOM 690 NE ARG A 74 -13.567 12.298 -14.726 1.00 30.90 N ATOM 691 CZ ARG A 74 -13.814 13.451 -15.349 1.00 37.30 C ATOM 692 NH1 ARG A 74 -13.688 14.634 -14.722 1.00 40.05 N ATOM 693 NH2 ARG A 74 -14.194 13.419 -16.637 1.00 41.62 N ATOM 694 HE ARG A 74 -13.679 11.424 -15.279 1.00 0.00 H ATOM 695 HH12 ARG A 74 -13.887 15.517 -15.233 1.00 0.00 H ATOM 696 HH11 ARG A 74 -13.391 14.665 -13.726 1.00 0.00 H ATOM 697 HH22 ARG A 74 -14.392 14.306 -17.143 1.00 0.00 H ATOM 698 HH21 ARG A 74 -14.290 12.507 -17.128 1.00 0.00 H ATOM 699 H ARG A 74 -9.695 11.055 -9.814 1.00 0.00 H ATOM 700 N THR A 75 -9.558 14.791 -11.841 1.00 12.66 N ATOM 701 CA THR A 75 -9.753 16.183 -11.520 1.00 13.60 C ATOM 702 C THR A 75 -10.431 16.926 -12.685 1.00 13.93 C ATOM 703 O THR A 75 -10.218 16.597 -13.848 1.00 13.63 O ATOM 704 CB THR A 75 -8.422 16.880 -11.157 1.00 13.10 C ATOM 705 OG1 THR A 75 -8.664 18.281 -11.015 1.00 13.77 O ATOM 706 CG2 THR A 75 -7.374 16.676 -12.198 1.00 12.85 C ATOM 707 HG1 THR A 75 -7.818 18.739 -10.782 1.00 0.00 H ATOM 708 H THR A 75 -9.130 14.540 -12.755 1.00 0.00 H ATOM 709 N ASP A 76 -11.229 17.924 -12.356 1.00 15.92 N ATOM 710 CA ASP A 76 -11.875 18.785 -13.385 1.00 18.83 C ATOM 711 C ASP A 76 -10.913 19.874 -13.919 1.00 19.50 C ATOM 712 O ASP A 76 -11.122 20.446 -15.014 1.00 18.14 O ATOM 713 CB ASP A 76 -13.153 19.404 -12.793 1.00 20.92 C ATOM 714 CG ASP A 76 -14.180 18.337 -12.369 1.00 22.67 C ATOM 715 OD1 ASP A 76 -14.388 17.411 -13.149 1.00 24.35 O ATOM 716 OD2 ASP A 76 -14.782 18.441 -11.286 1.00 26.76 O ATOM 717 H ASP A 76 -11.412 18.115 -11.350 1.00 0.00 H ATOM 718 N ASP A 77 -9.815 20.117 -13.197 1.00 18.72 N ATOM 719 CA ASP A 77 -8.837 21.117 -13.636 1.00 18.77 C ATOM 720 C ASP A 77 -7.437 20.770 -13.179 1.00 17.50 C ATOM 721 O ASP A 77 -7.001 21.227 -12.112 1.00 17.58 O ATOM 722 CB ASP A 77 -9.225 22.483 -13.107 1.00 18.43 C ATOM 723 CG ASP A 77 -8.431 23.615 -13.768 1.00 19.72 C ATOM 724 OD1 ASP A 77 -7.414 23.397 -14.482 1.00 20.10 O ATOM 725 OD2 ASP A 77 -8.890 24.736 -13.555 1.00 22.80 O ATOM 726 H ASP A 77 -9.653 19.591 -12.315 1.00 0.00 H ATOM 727 N VAL A 78 -6.750 19.978 -14.001 1.00 17.19 N ATOM 728 CA VAL A 78 -5.419 19.523 -13.673 1.00 19.07 C ATOM 729 C VAL A 78 -4.387 20.665 -13.602 1.00 20.46 C ATOM 730 O VAL A 78 -3.505 20.640 -12.759 1.00 17.44 O ATOM 731 CB VAL A 78 -4.927 18.360 -14.563 1.00 18.65 C ATOM 732 CG1 VAL A 78 -4.691 18.762 -16.004 1.00 18.49 C ATOM 733 CG2 VAL A 78 -3.665 17.718 -13.974 1.00 17.70 C ATOM 734 H VAL A 78 -7.182 19.681 -14.899 1.00 0.00 H ATOM 735 N ASP A 79 -4.527 21.668 -14.459 1.00 22.11 N ATOM 736 CA ASP A 79 -3.546 22.745 -14.472 1.00 22.69 C ATOM 737 C ASP A 79 -3.591 23.518 -13.172 1.00 21.20 C ATOM 738 O ASP A 79 -2.538 23.836 -12.580 1.00 21.77 O ATOM 739 CB ASP A 79 -3.771 23.668 -15.676 1.00 24.81 C ATOM 740 CG ASP A 79 -3.417 23.015 -16.997 1.00 26.76 C ATOM 741 OD1 ASP A 79 -2.694 21.994 -17.041 1.00 29.86 O ATOM 742 OD2 ASP A 79 -3.884 23.515 -18.037 1.00 30.10 O ATOM 743 H ASP A 79 -5.332 21.685 -15.117 1.00 0.00 H ATOM 744 N ALA A 80 -4.791 23.763 -12.682 1.00 20.22 N ATOM 745 CA ALA A 80 -4.952 24.532 -11.478 1.00 20.43 C ATOM 746 C ALA A 80 -4.539 23.722 -10.248 1.00 20.21 C ATOM 747 O ALA A 80 -3.962 24.264 -9.300 1.00 20.02 O ATOM 748 CB ALA A 80 -6.371 25.044 -11.346 1.00 21.02 C ATOM 749 H ALA A 80 -5.631 23.395 -13.173 1.00 0.00 H ATOM 750 N ASP A 81 -4.825 22.426 -10.263 1.00 17.57 N ATOM 751 CA ASP A 81 -4.430 21.589 -9.140 1.00 17.17 C ATOM 752 C ASP A 81 -2.916 21.525 -9.026 1.00 16.28 C ATOM 753 O ASP A 81 -2.388 21.595 -7.930 1.00 14.73 O ATOM 754 CB ASP A 81 -5.042 20.187 -9.233 1.00 16.50 C ATOM 755 CG ASP A 81 -6.525 20.142 -8.843 1.00 17.39 C ATOM 756 OD1 ASP A 81 -7.087 21.134 -8.301 1.00 16.76 O ATOM 757 OD2 ASP A 81 -7.183 19.090 -9.119 1.00 18.19 O ATOM 758 H ASP A 81 -5.329 22.011 -11.073 1.00 0.00 H ATOM 759 N CYS A 82 -2.235 21.413 -10.155 1.00 16.50 N ATOM 760 CA CYS A 82 -0.794 21.380 -10.191 1.00 18.10 C ATOM 761 C CYS A 82 -0.220 22.693 -9.691 1.00 19.28 C ATOM 762 O CYS A 82 0.752 22.692 -8.939 1.00 19.10 O ATOM 763 CB CYS A 82 -0.257 21.071 -11.597 1.00 17.45 C ATOM 764 SG CYS A 82 -0.578 19.374 -12.123 1.00 18.39 S ATOM 765 H CYS A 82 -2.759 21.346 -11.051 1.00 0.00 H ATOM 766 N ALA A 83 -0.842 23.799 -10.096 1.00 18.61 N ATOM 767 CA ALA A 83 -0.423 25.132 -9.609 1.00 18.63 C ATOM 768 C ALA A 83 -0.598 25.257 -8.083 1.00 16.98 C ATOM 769 O ALA A 83 0.286 25.763 -7.392 1.00 15.44 O ATOM 770 CB ALA A 83 -1.151 26.253 -10.373 1.00 19.11 C ATOM 771 H ALA A 83 -1.635 23.725 -10.765 1.00 0.00 H ATOM 772 N ARG A 84 -1.708 24.756 -7.559 1.00 16.30 N ATOM 773 CA ARG A 84 -1.938 24.660 -6.139 1.00 17.30 C ATOM 774 C ARG A 84 -0.899 23.795 -5.371 1.00 15.65 C ATOM 775 O ARG A 84 -0.426 24.187 -4.285 1.00 15.21 O ATOM 776 CB ARG A 84 -3.389 24.187 -5.819 1.00 20.20 C ATOM 777 CG ARG A 84 -4.433 25.331 -5.759 1.00 21.45 C ATOM 778 CD ARG A 84 -5.817 24.793 -5.365 1.00 21.75 C ATOM 779 NE ARG A 84 -6.399 24.004 -6.459 1.00 23.60 N ATOM 780 CZ ARG A 84 -7.154 24.484 -7.448 1.00 25.32 C ATOM 781 NH1 ARG A 84 -7.476 25.777 -7.508 1.00 24.52 N ATOM 782 NH2 ARG A 84 -7.612 23.664 -8.389 1.00 26.87 N ATOM 783 HE ARG A 84 -6.205 22.982 -6.463 1.00 0.00 H ATOM 784 HH12 ARG A 84 -8.066 26.130 -8.288 1.00 0.00 H ATOM 785 HH11 ARG A 84 -7.137 26.432 -6.775 1.00 0.00 H ATOM 786 HH22 ARG A 84 -8.201 24.036 -9.161 1.00 0.00 H ATOM 787 HH21 ARG A 84 -7.381 22.651 -8.353 1.00 0.00 H ATOM 788 H ARG A 84 -2.449 24.415 -8.204 1.00 0.00 H ATOM 789 N LEU A 85 -0.588 22.619 -5.912 1.00 15.33 N ATOM 790 CA LEU A 85 0.401 21.748 -5.290 1.00 14.84 C ATOM 791 C LEU A 85 1.786 22.399 -5.240 1.00 15.32 C ATOM 792 O LEU A 85 2.503 22.311 -4.211 1.00 13.39 O ATOM 793 CB LEU A 85 0.448 20.400 -6.024 1.00 15.17 C ATOM 794 CG LEU A 85 -0.787 19.514 -5.817 1.00 15.92 C ATOM 795 CD1 LEU A 85 -0.803 18.318 -6.757 1.00 16.18 C ATOM 796 CD2 LEU A 85 -0.800 18.977 -4.407 1.00 16.07 C ATOM 797 H LEU A 85 -1.057 22.318 -6.790 1.00 0.00 H ATOM 798 N GLN A 86 2.171 23.024 -6.349 1.00 15.70 N ATOM 799 CA GLN A 86 3.472 23.712 -6.425 1.00 18.14 C ATOM 800 C GLN A 86 3.526 24.827 -5.387 1.00 16.52 C ATOM 801 O GLN A 86 4.511 24.970 -4.630 1.00 15.42 O ATOM 802 CB GLN A 86 3.708 24.260 -7.858 1.00 20.65 C ATOM 803 CG GLN A 86 5.115 24.820 -8.086 1.00 24.00 C ATOM 804 CD GLN A 86 5.230 25.845 -9.221 1.00 28.98 C ATOM 805 OE1 GLN A 86 4.408 26.765 -9.334 1.00 39.90 O ATOM 806 NE2 GLN A 86 6.282 25.721 -10.045 1.00 31.47 N ATOM 807 HE22 GLN A 86 6.951 24.935 -9.919 1.00 0.00 H ATOM 808 HE21 GLN A 86 6.428 26.411 -10.809 1.00 0.00 H ATOM 809 H GLN A 86 1.543 23.027 -7.178 1.00 0.00 H ATOM 810 N GLU A 87 2.467 25.634 -5.342 1.00 16.61 N ATOM 811 CA GLU A 87 2.326 26.691 -4.337 1.00 19.01 C ATOM 812 C GLU A 87 2.471 26.157 -2.917 1.00 17.13 C ATOM 813 O GLU A 87 3.059 26.804 -2.043 1.00 14.90 O ATOM 814 CB GLU A 87 0.958 27.354 -4.529 1.00 22.64 C ATOM 815 CG GLU A 87 0.587 28.495 -3.617 1.00 27.75 C ATOM 816 CD GLU A 87 -0.718 29.169 -4.080 1.00 32.94 C ATOM 817 OE1 GLU A 87 -1.675 28.468 -4.516 1.00 37.40 O ATOM 818 OE2 GLU A 87 -0.807 30.418 -4.037 1.00 42.06 O ATOM 819 H GLU A 87 1.712 25.509 -6.046 1.00 0.00 H ATOM 820 N ARG A 88 1.935 24.959 -2.697 1.00 15.51 N ATOM 821 CA ARG A 88 1.975 24.315 -1.396 1.00 15.35 C ATOM 822 C ARG A 88 3.258 23.518 -1.090 1.00 14.48 C ATOM 823 O ARG A 88 3.346 22.841 -0.071 1.00 15.73 O ATOM 824 CB ARG A 88 0.740 23.419 -1.248 1.00 15.87 C ATOM 825 CG ARG A 88 -0.524 24.227 -1.041 1.00 17.24 C ATOM 826 CD ARG A 88 -1.751 23.367 -1.244 1.00 18.55 C ATOM 827 NE ARG A 88 -2.957 24.163 -1.487 1.00 19.21 N ATOM 828 CZ ARG A 88 -4.203 23.661 -1.492 1.00 20.70 C ATOM 829 NH1 ARG A 88 -5.246 24.479 -1.717 1.00 20.54 N ATOM 830 NH2 ARG A 88 -4.426 22.354 -1.290 1.00 19.26 N ATOM 831 HE ARG A 88 -2.841 25.181 -1.667 1.00 0.00 H ATOM 832 HH12 ARG A 88 -6.214 24.098 -1.723 1.00 0.00 H ATOM 833 HH11 ARG A 88 -5.085 25.493 -1.886 1.00 0.00 H ATOM 834 HH22 ARG A 88 -5.398 21.985 -1.298 1.00 0.00 H ATOM 835 HH21 ARG A 88 -3.627 21.709 -1.126 1.00 0.00 H ATOM 836 H ARG A 88 1.470 24.466 -3.486 1.00 0.00 H ATOM 837 N GLY A 89 4.253 23.602 -1.964 1.00 14.29 N ATOM 838 CA GLY A 89 5.561 23.028 -1.680 1.00 13.19 C ATOM 839 C GLY A 89 5.699 21.583 -2.121 1.00 11.69 C ATOM 840 O GLY A 89 6.520 20.847 -1.569 1.00 11.05 O ATOM 841 H GLY A 89 4.096 24.088 -2.870 1.00 0.00 H ATOM 842 N VAL A 90 4.956 21.202 -3.148 1.00 11.42 N ATOM 843 CA VAL A 90 5.034 19.860 -3.711 1.00 11.11 C ATOM 844 C VAL A 90 5.592 19.854 -5.134 1.00 11.04 C ATOM 845 O VAL A 90 5.118 20.594 -6.009 1.00 10.21 O ATOM 846 CB VAL A 90 3.636 19.189 -3.683 1.00 12.11 C ATOM 847 CG1 VAL A 90 3.730 17.732 -4.138 1.00 12.45 C ATOM 848 CG2 VAL A 90 3.056 19.282 -2.274 1.00 12.63 C ATOM 849 H VAL A 90 4.293 21.884 -3.568 1.00 0.00 H ATOM 850 N ALA A 91 6.572 18.981 -5.381 1.00 10.89 N ATOM 851 CA ALA A 91 7.079 18.729 -6.711 1.00 11.60 C ATOM 852 C ALA A 91 6.029 18.023 -7.565 1.00 12.73 C ATOM 853 O ALA A 91 5.537 16.966 -7.204 1.00 11.91 O ATOM 854 CB ALA A 91 8.328 17.871 -6.661 1.00 11.83 C ATOM 855 H ALA A 91 6.988 18.460 -4.583 1.00 0.00 H ATOM 856 N VAL A 92 5.742 18.592 -8.726 1.00 13.48 N ATOM 857 CA VAL A 92 4.812 17.990 -9.667 1.00 15.17 C ATOM 858 C VAL A 92 5.513 17.707 -10.985 1.00 17.76 C ATOM 859 O VAL A 92 6.169 18.595 -11.531 1.00 18.35 O ATOM 860 CB VAL A 92 3.619 18.907 -9.891 1.00 15.71 C ATOM 861 CG1 VAL A 92 2.612 18.264 -10.840 1.00 16.97 C ATOM 862 CG2 VAL A 92 2.960 19.234 -8.546 1.00 15.81 C ATOM 863 H VAL A 92 6.195 19.495 -8.971 1.00 0.00 H ATOM 864 N ASP A 93 5.359 16.487 -11.474 1.00 19.01 N ATOM 865 CA ASP A 93 5.836 16.086 -12.793 1.00 22.12 C ATOM 866 C ASP A 93 4.648 16.250 -13.732 1.00 22.96 C ATOM 867 O ASP A 93 3.660 15.509 -13.639 1.00 21.01 O ATOM 868 CB ASP A 93 6.326 14.645 -12.740 1.00 24.05 C ATOM 869 CG ASP A 93 6.895 14.141 -14.073 1.00 27.08 C ATOM 870 OD1 ASP A 93 6.777 14.803 -15.118 1.00 29.98 O ATOM 871 OD2 ASP A 93 7.432 13.019 -14.067 1.00 32.49 O ATOM 872 H ASP A 93 4.873 15.778 -10.888 1.00 0.00 H ATOM 873 N GLY A 94 4.731 17.237 -14.609 1.00 23.95 N ATOM 874 CA GLY A 94 3.674 17.516 -15.581 1.00 24.73 C ATOM 875 C GLY A 94 3.042 18.828 -15.237 1.00 26.71 C ATOM 876 O GLY A 94 3.623 19.582 -14.456 1.00 29.97 O ATOM 877 H GLY A 94 5.580 17.837 -14.607 1.00 0.00 H ATOM 878 N PRO A 95 1.847 19.117 -15.750 1.00 27.83 N ATOM 879 CA PRO A 95 1.033 18.176 -16.520 1.00 28.51 C ATOM 880 C PRO A 95 1.479 18.051 -17.969 1.00 29.29 C ATOM 881 O PRO A 95 2.037 19.021 -18.498 1.00 27.19 O ATOM 882 CB PRO A 95 -0.357 18.770 -16.440 1.00 29.04 C ATOM 883 CG PRO A 95 -0.193 20.192 -16.093 1.00 28.82 C ATOM 884 CD PRO A 95 1.155 20.390 -15.500 1.00 27.42 C ATOM 885 N LYS A 96 1.258 16.857 -18.537 1.00 29.10 N ATOM 886 CA LYS A 96 1.497 16.491 -19.940 1.00 30.02 C ATOM 887 C LYS A 96 0.206 15.939 -20.527 1.00 29.42 C ATOM 888 O LYS A 96 -0.487 15.165 -19.866 1.00 27.01 O ATOM 889 CB LYS A 96 2.486 15.310 -20.095 1.00 33.58 C ATOM 890 CG LYS A 96 3.673 15.210 -19.157 1.00 38.33 C ATOM 891 CD LYS A 96 4.716 16.278 -19.443 1.00 39.36 C ATOM 892 CE LYS A 96 5.768 16.360 -18.338 1.00 40.77 C ATOM 893 NZ LYS A 96 6.333 17.731 -18.192 1.00 41.26 N ATOM 894 HZ1 LYS A 96 6.782 18.017 -19.086 1.00 0.00 H ATOM 895 HZ2 LYS A 96 5.569 18.397 -17.959 1.00 0.00 H ATOM 896 HZ3 LYS A 96 7.041 17.733 -17.430 1.00 0.00 H ATOM 897 H LYS A 96 0.877 16.111 -17.920 1.00 0.00 H ATOM 898 N ASN A 97 -0.091 16.277 -21.779 1.00 27.21 N ATOM 899 CA ASN A 97 -1.159 15.588 -22.517 1.00 26.88 C ATOM 900 C ASN A 97 -0.815 14.145 -22.761 1.00 25.46 C ATOM 901 O ASN A 97 0.327 13.830 -22.963 1.00 29.68 O ATOM 902 CB ASN A 97 -1.399 16.258 -23.845 1.00 25.77 C ATOM 903 CG ASN A 97 -2.015 17.604 -23.694 1.00 28.02 C ATOM 904 OD1 ASN A 97 -2.645 17.918 -22.685 1.00 30.36 O ATOM 905 ND2 ASN A 97 -1.864 18.412 -24.707 1.00 31.72 N ATOM 906 HD22 ASN A 97 -1.323 18.105 -25.541 1.00 0.00 H ATOM 907 HD21 ASN A 97 -2.284 19.363 -24.681 1.00 0.00 H ATOM 908 H ASN A 97 0.441 17.041 -22.243 1.00 0.00 H ATOM 909 N THR A 98 -1.819 13.270 -22.735 1.00 25.12 N ATOM 910 CA THR A 98 -1.651 11.850 -22.964 1.00 25.92 C ATOM 911 C THR A 98 -2.861 11.373 -23.773 1.00 25.96 C ATOM 912 O THR A 98 -3.836 12.117 -23.897 1.00 24.05 O ATOM 913 CB THR A 98 -1.629 11.056 -21.636 1.00 29.11 C ATOM 914 OG1 THR A 98 -2.961 10.966 -21.101 1.00 27.07 O ATOM 915 CG2 THR A 98 -0.701 11.710 -20.611 1.00 29.10 C ATOM 916 HG1 THR A 98 -3.310 11.877 -20.933 1.00 0.00 H ATOM 917 H THR A 98 -2.776 13.626 -22.539 1.00 0.00 H ATOM 918 N PRO A 99 -2.823 10.127 -24.284 1.00 28.41 N ATOM 919 CA PRO A 99 -3.981 9.587 -25.045 1.00 30.25 C ATOM 920 C PRO A 99 -5.328 9.599 -24.309 1.00 33.82 C ATOM 921 O PRO A 99 -6.359 9.733 -24.952 1.00 35.85 O ATOM 922 CB PRO A 99 -3.568 8.135 -25.343 1.00 30.04 C ATOM 923 CG PRO A 99 -2.067 8.163 -25.336 1.00 30.19 C ATOM 924 CD PRO A 99 -1.699 9.164 -24.264 1.00 29.13 C ATOM 925 N TRP A 100 -5.299 9.474 -22.980 1.00 32.71 N ATOM 926 CA TRP A 100 -6.514 9.379 -22.136 1.00 33.72 C ATOM 927 C TRP A 100 -6.913 10.695 -21.468 1.00 33.72 C ATOM 928 O TRP A 100 -7.999 10.782 -20.891 1.00 37.07 O ATOM 929 CB TRP A 100 -6.325 8.333 -21.038 1.00 34.71 C ATOM 930 CG TRP A 100 -5.023 8.462 -20.311 1.00 35.07 C ATOM 931 CD1 TRP A 100 -4.739 9.270 -19.215 1.00 36.50 C ATOM 932 CD2 TRP A 100 -3.802 7.798 -20.653 1.00 34.97 C ATOM 933 NE1 TRP A 100 -3.406 9.127 -18.851 1.00 35.44 N ATOM 934 CE2 TRP A 100 -2.808 8.231 -19.714 1.00 37.05 C ATOM 935 CE3 TRP A 100 -3.445 6.870 -21.656 1.00 34.98 C ATOM 936 CZ2 TRP A 100 -1.483 7.758 -19.759 1.00 35.89 C ATOM 937 CZ3 TRP A 100 -2.137 6.410 -21.702 1.00 34.33 C ATOM 938 CH2 TRP A 100 -1.168 6.854 -20.753 1.00 35.62 C ATOM 939 HE1 TRP A 100 -2.937 9.614 -18.060 1.00 0.00 H ATOM 940 H TRP A 100 -4.372 9.441 -22.510 1.00 0.00 H ATOM 941 N GLY A 101 -6.046 11.703 -21.528 1.00 28.39 N ATOM 942 CA GLY A 101 -6.292 12.973 -20.857 1.00 25.92 C ATOM 943 C GLY A 101 -4.974 13.598 -20.432 1.00 25.13 C ATOM 944 O GLY A 101 -3.903 13.034 -20.684 1.00 30.14 O ATOM 945 H GLY A 101 -5.167 11.581 -22.070 1.00 0.00 H ATOM 946 N ARG A 102 -5.074 14.719 -19.737 1.00 20.64 N ATOM 947 CA ARG A 102 -3.940 15.532 -19.347 1.00 20.33 C ATOM 948 C ARG A 102 -3.612 15.181 -17.886 1.00 18.32 C ATOM 949 O ARG A 102 -4.442 15.367 -17.000 1.00 15.61 O ATOM 950 CB ARG A 102 -4.301 17.003 -19.488 1.00 20.12 C ATOM 951 CG ARG A 102 -3.124 17.950 -19.375 1.00 22.63 C ATOM 952 CD ARG A 102 -3.550 19.363 -19.726 1.00 24.18 C ATOM 953 NE ARG A 102 -2.547 20.384 -19.397 1.00 27.49 N ATOM 954 CZ ARG A 102 -1.339 20.507 -19.961 1.00 30.22 C ATOM 955 NH1 ARG A 102 -0.888 19.665 -20.900 1.00 32.17 N ATOM 956 NH2 ARG A 102 -0.553 21.505 -19.562 1.00 34.66 N ATOM 957 HE ARG A 102 -2.798 21.073 -18.660 1.00 0.00 H ATOM 958 HH12 ARG A 102 0.058 19.801 -21.309 1.00 0.00 H ATOM 959 HH11 ARG A 102 -1.484 18.875 -21.220 1.00 0.00 H ATOM 960 HH22 ARG A 102 0.390 21.624 -19.983 1.00 0.00 H ATOM 961 HH21 ARG A 102 -0.882 22.165 -18.829 1.00 0.00 H ATOM 962 H ARG A 102 -6.023 15.036 -19.454 1.00 0.00 H ATOM 963 N GLN A 103 -2.394 14.726 -17.670 1.00 17.42 N ATOM 964 CA GLN A 103 -2.029 14.048 -16.452 1.00 18.62 C ATOM 965 C GLN A 103 -0.729 14.604 -15.840 1.00 17.96 C ATOM 966 O GLN A 103 0.182 15.075 -16.549 1.00 17.03 O ATOM 967 CB GLN A 103 -1.899 12.585 -16.821 1.00 20.84 C ATOM 968 CG GLN A 103 -1.379 11.626 -15.772 1.00 22.89 C ATOM 969 CD GLN A 103 -1.746 10.205 -16.138 1.00 25.77 C ATOM 970 OE1 GLN A 103 -2.896 9.926 -16.430 1.00 28.54 O ATOM 971 NE2 GLN A 103 -0.755 9.317 -16.198 1.00 28.27 N ATOM 972 HE22 GLN A 103 0.212 9.599 -15.939 1.00 0.00 H ATOM 973 HE21 GLN A 103 -0.948 8.342 -16.503 1.00 0.00 H ATOM 974 H GLN A 103 -1.671 14.861 -18.405 1.00 0.00 H ATOM 975 N ALA A 104 -0.671 14.556 -14.521 1.00 15.75 N ATOM 976 CA ALA A 104 0.508 14.925 -13.751 1.00 15.76 C ATOM 977 C ALA A 104 0.687 13.883 -12.651 1.00 15.36 C ATOM 978 O ALA A 104 -0.217 13.078 -12.414 1.00 13.90 O ATOM 979 CB ALA A 104 0.282 16.287 -13.155 1.00 17.41 C ATOM 980 H ALA A 104 -1.515 14.237 -14.004 1.00 0.00 H ATOM 981 N MET A 105 1.857 13.867 -12.013 1.00 15.24 N ATOM 982 CA MET A 105 2.165 12.900 -10.953 1.00 16.02 C ATOM 983 C MET A 105 2.935 13.657 -9.871 1.00 14.28 C ATOM 984 O MET A 105 3.700 14.577 -10.174 1.00 13.33 O ATOM 985 CB MET A 105 3.091 11.798 -11.432 1.00 20.28 C ATOM 986 CG MET A 105 2.509 10.778 -12.385 1.00 25.89 C ATOM 987 SD MET A 105 3.755 9.511 -12.802 1.00 33.10 S ATOM 988 CE MET A 105 5.217 9.802 -11.807 1.00 33.39 C ATOM 989 H MET A 105 2.580 14.567 -12.277 1.00 0.00 H ATOM 990 N PHE A 106 2.712 13.244 -8.639 1.00 12.21 N ATOM 991 CA PHE A 106 3.487 13.701 -7.508 1.00 11.88 C ATOM 992 C PHE A 106 3.559 12.581 -6.476 1.00 11.69 C ATOM 993 O PHE A 106 2.906 11.572 -6.616 1.00 12.18 O ATOM 994 CB PHE A 106 2.879 14.975 -6.958 1.00 11.63 C ATOM 995 CG PHE A 106 1.473 14.809 -6.408 1.00 11.47 C ATOM 996 CD1 PHE A 106 0.366 14.785 -7.260 1.00 11.58 C ATOM 997 CD2 PHE A 106 1.257 14.678 -5.038 1.00 11.72 C ATOM 998 CE1 PHE A 106 -0.916 14.661 -6.734 1.00 11.59 C ATOM 999 CE2 PHE A 106 -0.027 14.558 -4.525 1.00 11.51 C ATOM 1000 CZ PHE A 106 -1.112 14.552 -5.386 1.00 11.13 C ATOM 1001 H PHE A 106 1.946 12.560 -8.474 1.00 0.00 H ATOM 1002 N SER A 107 4.382 12.755 -5.457 1.00 11.75 N ATOM 1003 CA SER A 107 4.573 11.744 -4.444 1.00 12.09 C ATOM 1004 C SER A 107 4.206 12.300 -3.041 1.00 11.29 C ATOM 1005 O SER A 107 4.293 13.518 -2.770 1.00 10.08 O ATOM 1006 CB SER A 107 5.997 11.182 -4.521 1.00 13.06 C ATOM 1007 OG SER A 107 6.917 12.207 -4.169 1.00 16.31 O ATOM 1008 HG SER A 107 6.822 12.965 -4.799 1.00 0.00 H ATOM 1009 H SER A 107 4.909 13.649 -5.382 1.00 0.00 H ATOM 1010 N ASP A 108 3.753 11.394 -2.177 1.00 10.48 N ATOM 1011 CA ASP A 108 3.478 11.736 -0.796 1.00 10.11 C ATOM 1012 C ASP A 108 4.783 11.650 0.058 1.00 9.73 C ATOM 1013 O ASP A 108 5.816 11.270 -0.467 1.00 8.85 O ATOM 1014 CB ASP A 108 2.284 10.889 -0.265 1.00 9.90 C ATOM 1015 CG ASP A 108 2.648 9.487 0.185 1.00 10.07 C ATOM 1016 OD1 ASP A 108 3.818 9.088 0.049 1.00 10.84 O ATOM 1017 OD2 ASP A 108 1.711 8.767 0.701 1.00 9.76 O ATOM 1018 H ASP A 108 3.593 10.419 -2.501 1.00 0.00 H ATOM 1019 N PRO A 109 4.725 11.986 1.359 1.00 9.62 N ATOM 1020 CA PRO A 109 5.948 11.968 2.200 1.00 10.21 C ATOM 1021 C PRO A 109 6.719 10.651 2.218 1.00 9.95 C ATOM 1022 O PRO A 109 7.936 10.687 2.313 1.00 11.62 O ATOM 1023 CB PRO A 109 5.439 12.353 3.572 1.00 10.32 C ATOM 1024 CG PRO A 109 4.284 13.247 3.255 1.00 10.49 C ATOM 1025 CD PRO A 109 3.604 12.584 2.096 1.00 10.40 C ATOM 1026 N ASP A 110 6.017 9.513 2.076 1.00 10.08 N ATOM 1027 CA ASP A 110 6.646 8.209 1.985 1.00 10.08 C ATOM 1028 C ASP A 110 7.143 7.771 0.637 1.00 9.93 C ATOM 1029 O ASP A 110 7.951 6.845 0.542 1.00 9.94 O ATOM 1030 CB ASP A 110 5.734 7.138 2.583 1.00 10.76 C ATOM 1031 CG ASP A 110 5.636 7.268 4.060 1.00 10.78 C ATOM 1032 OD1 ASP A 110 6.655 7.055 4.711 1.00 12.13 O ATOM 1033 OD2 ASP A 110 4.589 7.661 4.578 1.00 10.78 O ATOM 1034 H ASP A 110 4.980 9.570 2.029 1.00 0.00 H ATOM 1035 N GLY A 111 6.716 8.440 -0.420 1.00 9.78 N ATOM 1036 CA GLY A 111 7.106 8.090 -1.753 1.00 9.64 C ATOM 1037 C GLY A 111 6.001 7.385 -2.531 1.00 9.95 C ATOM 1038 O GLY A 111 6.262 6.921 -3.669 1.00 10.14 O ATOM 1039 H GLY A 111 6.076 9.247 -0.279 1.00 0.00 H ATOM 1040 N ASN A 112 4.789 7.273 -1.968 1.00 9.77 N ATOM 1041 CA ASN A 112 3.689 6.713 -2.773 1.00 10.28 C ATOM 1042 C ASN A 112 3.429 7.713 -3.907 1.00 10.10 C ATOM 1043 O ASN A 112 3.502 8.917 -3.700 1.00 9.79 O ATOM 1044 CB ASN A 112 2.399 6.480 -1.984 1.00 10.21 C ATOM 1045 CG ASN A 112 2.584 5.519 -0.853 1.00 10.16 C ATOM 1046 OD1 ASN A 112 2.893 4.339 -1.074 1.00 10.42 O ATOM 1047 ND2 ASN A 112 2.365 5.988 0.374 1.00 10.38 N ATOM 1048 HD22 ASN A 112 2.108 6.986 0.511 1.00 0.00 H ATOM 1049 HD21 ASN A 112 2.451 5.356 1.195 1.00 0.00 H ATOM 1050 H ASN A 112 4.629 7.575 -0.986 1.00 0.00 H ATOM 1051 N VAL A 113 3.165 7.198 -5.089 1.00 9.91 N ATOM 1052 CA VAL A 113 3.026 8.034 -6.284 1.00 10.89 C ATOM 1053 C VAL A 113 1.583 8.190 -6.669 1.00 10.80 C ATOM 1054 O VAL A 113 0.886 7.209 -6.845 1.00 11.07 O ATOM 1055 CB VAL A 113 3.794 7.453 -7.471 1.00 12.11 C ATOM 1056 CG1 VAL A 113 3.652 8.357 -8.696 1.00 12.75 C ATOM 1057 CG2 VAL A 113 5.266 7.323 -7.110 1.00 12.96 C ATOM 1058 H VAL A 113 3.052 6.168 -5.177 1.00 0.00 H ATOM 1059 N ILE A 114 1.155 9.437 -6.821 1.00 10.63 N ATOM 1060 CA ILE A 114 -0.230 9.809 -7.016 1.00 10.42 C ATOM 1061 C ILE A 114 -0.305 10.524 -8.360 1.00 10.77 C ATOM 1062 O ILE A 114 0.444 11.482 -8.602 1.00 10.02 O ATOM 1063 CB ILE A 114 -0.690 10.769 -5.881 1.00 10.77 C ATOM 1064 CG1 ILE A 114 -0.539 10.075 -4.533 1.00 11.33 C ATOM 1065 CG2 ILE A 114 -2.126 11.274 -6.073 1.00 11.01 C ATOM 1066 CD1 ILE A 114 -0.698 10.973 -3.348 1.00 12.43 C ATOM 1067 H ILE A 114 1.863 10.199 -6.798 1.00 0.00 H ATOM 1068 N GLY A 115 -1.209 10.060 -9.214 1.00 10.16 N ATOM 1069 CA GLY A 115 -1.488 10.706 -10.491 1.00 10.71 C ATOM 1070 C GLY A 115 -2.711 11.595 -10.402 1.00 11.14 C ATOM 1071 O GLY A 115 -3.606 11.386 -9.586 1.00 10.48 O ATOM 1072 H GLY A 115 -1.739 9.202 -8.962 1.00 0.00 H ATOM 1073 N LEU A 116 -2.742 12.617 -11.241 1.00 12.34 N ATOM 1074 CA LEU A 116 -3.923 13.459 -11.434 1.00 13.31 C ATOM 1075 C LEU A 116 -4.239 13.322 -12.903 1.00 15.04 C ATOM 1076 O LEU A 116 -3.308 13.349 -13.735 1.00 17.51 O ATOM 1077 CB LEU A 116 -3.624 14.916 -11.166 1.00 14.01 C ATOM 1078 CG LEU A 116 -3.378 15.398 -9.767 1.00 14.30 C ATOM 1079 CD1 LEU A 116 -3.053 16.884 -9.822 1.00 15.31 C ATOM 1080 CD2 LEU A 116 -4.551 15.134 -8.857 1.00 14.22 C ATOM 1081 H LEU A 116 -1.885 12.833 -11.790 1.00 0.00 H ATOM 1082 N ASN A 117 -5.508 13.159 -13.251 1.00 14.59 N ATOM 1083 CA ASN A 117 -5.918 13.087 -14.670 1.00 15.60 C ATOM 1084 C ASN A 117 -7.199 13.907 -14.919 1.00 16.20 C ATOM 1085 O ASN A 117 -8.210 13.779 -14.203 1.00 15.41 O ATOM 1086 CB ASN A 117 -6.113 11.642 -15.097 1.00 15.96 C ATOM 1087 CG ASN A 117 -6.505 11.498 -16.568 1.00 16.90 C ATOM 1088 OD1 ASN A 117 -5.935 12.136 -17.418 1.00 18.36 O ATOM 1089 ND2 ASN A 117 -7.397 10.567 -16.863 1.00 17.14 N ATOM 1090 HD22 ASN A 117 -7.868 10.038 -16.101 1.00 0.00 H ATOM 1091 HD21 ASN A 117 -7.628 10.364 -17.857 1.00 0.00 H ATOM 1092 H ASN A 117 -6.232 13.080 -12.509 1.00 0.00 H ATOM 1093 N GLN A 118 -7.118 14.793 -15.902 1.00 17.37 N ATOM 1094 CA GLN A 118 -8.285 15.463 -16.474 1.00 18.81 C ATOM 1095 C GLN A 118 -8.591 14.824 -17.847 1.00 20.41 C ATOM 1096 O GLN A 118 -7.892 15.108 -18.841 1.00 17.93 O ATOM 1097 CB GLN A 118 -7.992 16.950 -16.588 1.00 19.17 C ATOM 1098 CG GLN A 118 -9.210 17.766 -16.867 1.00 20.74 C ATOM 1099 CD GLN A 118 -8.861 19.188 -17.211 1.00 22.82 C ATOM 1100 OE1 GLN A 118 -8.016 19.818 -16.559 1.00 22.61 O ATOM 1101 NE2 GLN A 118 -9.518 19.715 -18.238 1.00 25.84 N ATOM 1102 HE22 GLN A 118 -10.219 19.146 -18.754 1.00 0.00 H ATOM 1103 HE21 GLN A 118 -9.332 20.697 -18.526 1.00 0.00 H ATOM 1104 H GLN A 118 -6.179 15.023 -16.285 1.00 0.00 H ATOM 1105 N PRO A 119 -9.602 13.910 -17.916 1.00 21.57 N ATOM 1106 CA PRO A 119 -9.868 13.224 -19.201 1.00 24.04 C ATOM 1107 C PRO A 119 -10.273 14.219 -20.278 1.00 25.83 C ATOM 1108 O PRO A 119 -10.712 15.302 -19.939 1.00 24.83 O ATOM 1109 CB PRO A 119 -11.034 12.266 -18.864 1.00 23.13 C ATOM 1110 CG PRO A 119 -10.889 12.016 -17.395 1.00 23.79 C ATOM 1111 CD PRO A 119 -10.477 13.384 -16.854 1.00 22.90 C ATOM 1112 N SER A 120 -10.094 13.858 -21.546 1.00 32.96 N ATOM 1113 CA SER A 120 -10.426 14.742 -22.709 1.00 38.10 C ATOM 1114 C SER A 120 -11.851 15.331 -22.696 1.00 38.47 C ATOM 1115 O SER A 120 -12.809 14.630 -22.351 1.00 38.96 O ATOM 1116 CB SER A 120 -10.219 13.957 -24.005 1.00 41.35 C ATOM 1117 OG SER A 120 -9.192 12.983 -23.827 1.00 44.21 O ATOM 1118 HG SER A 120 -9.066 12.481 -24.671 1.00 0.00 H ATOM 1119 H SER A 120 -9.704 12.914 -21.740 1.00 0.00 H TER 1120 SER A 120 ATOM 1121 N HIS B 0 -9.611 25.319 -2.578 1.00 36.40 N ATOM 1122 CA HIS B 0 -10.068 23.890 -2.692 1.00 34.30 C ATOM 1123 C HIS B 0 -9.598 23.292 -4.032 1.00 27.85 C ATOM 1124 O HIS B 0 -9.588 23.947 -5.055 1.00 23.43 O ATOM 1125 CB HIS B 0 -11.604 23.743 -2.558 1.00 39.49 C ATOM 1126 CG HIS B 0 -12.132 23.730 -1.132 1.00 44.13 C ATOM 1127 ND1 HIS B 0 -12.114 24.837 -0.303 1.00 46.04 N ATOM 1128 CD2 HIS B 0 -12.757 22.755 -0.423 1.00 46.31 C ATOM 1129 CE1 HIS B 0 -12.669 24.536 0.861 1.00 43.17 C ATOM 1130 NE2 HIS B 0 -13.076 23.280 0.811 1.00 46.13 N ATOM 1131 HN3 HIS B 0 -10.013 25.874 -3.361 1.00 0.00 H ATOM 1132 HN2 HIS B 0 -8.573 25.354 -2.624 1.00 0.00 H ATOM 1133 HN1 HIS B 0 -9.933 25.713 -1.671 1.00 0.00 H ATOM 1134 N MET B 1 -9.236 22.018 -4.017 1.00 22.66 N ATOM 1135 CA MET B 1 -8.757 21.366 -5.219 1.00 19.87 C ATOM 1136 C MET B 1 -9.948 20.948 -6.101 1.00 17.13 C ATOM 1137 O MET B 1 -11.053 20.917 -5.627 1.00 16.71 O ATOM 1138 CB MET B 1 -7.912 20.164 -4.802 1.00 20.53 C ATOM 1139 CG MET B 1 -6.663 20.599 -4.030 1.00 20.89 C ATOM 1140 SD MET B 1 -5.342 21.045 -5.177 1.00 22.60 S ATOM 1141 CE MET B 1 -4.407 19.550 -5.335 1.00 25.72 C ATOM 1142 H MET B 1 -9.296 21.478 -3.130 1.00 0.00 H ATOM 1143 N ALA B 2 -9.698 20.652 -7.365 1.00 15.14 N ATOM 1144 CA ALA B 2 -10.710 20.231 -8.343 1.00 14.00 C ATOM 1145 C ALA B 2 -10.845 18.709 -8.501 1.00 13.25 C ATOM 1146 O ALA B 2 -11.581 18.223 -9.365 1.00 12.89 O ATOM 1147 CB ALA B 2 -10.414 20.865 -9.680 1.00 13.48 C ATOM 1148 H ALA B 2 -8.713 20.722 -7.691 1.00 0.00 H ATOM 1149 N ILE B 3 -10.170 17.978 -7.633 1.00 13.34 N ATOM 1150 CA ILE B 3 -10.186 16.524 -7.669 1.00 11.92 C ATOM 1151 C ILE B 3 -11.578 16.111 -7.279 1.00 12.11 C ATOM 1152 O ILE B 3 -12.106 16.583 -6.264 1.00 13.05 O ATOM 1153 CB ILE B 3 -9.202 15.949 -6.638 1.00 12.11 C ATOM 1154 CG1 ILE B 3 -7.759 16.283 -7.005 1.00 11.45 C ATOM 1155 CG2 ILE B 3 -9.413 14.453 -6.451 1.00 12.08 C ATOM 1156 CD1 ILE B 3 -6.812 16.159 -5.794 1.00 11.64 C ATOM 1157 H ILE B 3 -9.609 18.457 -6.900 1.00 0.00 H ATOM 1158 N SER B 4 -12.171 15.220 -8.046 1.00 11.68 N ATOM 1159 CA SER B 4 -13.514 14.744 -7.781 1.00 11.59 C ATOM 1160 C SER B 4 -13.535 13.415 -7.060 1.00 10.33 C ATOM 1161 O SER B 4 -14.360 13.211 -6.183 1.00 10.61 O ATOM 1162 CB SER B 4 -14.356 14.592 -9.080 1.00 12.03 C ATOM 1163 OG SER B 4 -13.730 13.768 -10.057 1.00 14.25 O ATOM 1164 HG SER B 4 -13.589 12.863 -9.682 1.00 0.00 H ATOM 1165 H SER B 4 -11.658 14.845 -8.870 1.00 0.00 H ATOM 1166 N HIS B 5 -12.698 12.499 -7.508 1.00 10.24 N ATOM 1167 CA HIS B 5 -12.682 11.155 -6.995 1.00 10.73 C ATOM 1168 C HIS B 5 -11.437 10.412 -7.475 1.00 10.10 C ATOM 1169 O HIS B 5 -10.711 10.881 -8.344 1.00 9.42 O ATOM 1170 CB HIS B 5 -13.948 10.371 -7.418 1.00 11.54 C ATOM 1171 CG HIS B 5 -14.146 10.219 -8.900 1.00 12.93 C ATOM 1172 ND1 HIS B 5 -14.835 11.137 -9.656 1.00 14.67 N ATOM 1173 CD2 HIS B 5 -13.853 9.196 -9.746 1.00 13.98 C ATOM 1174 CE1 HIS B 5 -14.914 10.718 -10.912 1.00 13.52 C ATOM 1175 NE2 HIS B 5 -14.320 9.546 -10.996 1.00 13.36 N ATOM 1176 H HIS B 5 -12.026 12.758 -8.258 1.00 0.00 H ATOM 1177 N VAL B 6 -11.183 9.251 -6.855 1.00 9.79 N ATOM 1178 CA VAL B 6 -10.223 8.308 -7.388 1.00 9.77 C ATOM 1179 C VAL B 6 -10.783 7.717 -8.668 1.00 9.92 C ATOM 1180 O VAL B 6 -11.806 7.022 -8.652 1.00 9.37 O ATOM 1181 CB VAL B 6 -9.917 7.154 -6.400 1.00 9.34 C ATOM 1182 CG1 VAL B 6 -8.827 6.220 -6.988 1.00 9.08 C ATOM 1183 CG2 VAL B 6 -9.508 7.741 -5.050 1.00 9.82 C ATOM 1184 H VAL B 6 -11.686 9.023 -5.974 1.00 0.00 H ATOM 1185 N GLN B 7 -10.086 7.966 -9.767 1.00 10.59 N ATOM 1186 CA GLN B 7 -10.459 7.364 -11.040 1.00 11.83 C ATOM 1187 C GLN B 7 -10.171 5.865 -11.016 1.00 11.05 C ATOM 1188 O GLN B 7 -11.033 5.057 -11.392 1.00 11.17 O ATOM 1189 CB GLN B 7 -9.701 8.014 -12.193 1.00 12.93 C ATOM 1190 CG GLN B 7 -10.138 7.499 -13.583 1.00 13.56 C ATOM 1191 CD GLN B 7 -9.392 8.173 -14.747 1.00 16.02 C ATOM 1192 OE1 GLN B 7 -9.269 7.599 -15.836 1.00 20.63 O ATOM 1193 NE2 GLN B 7 -8.913 9.376 -14.530 1.00 15.90 N ATOM 1194 HE22 GLN B 7 -9.037 9.825 -13.600 1.00 0.00 H ATOM 1195 HE21 GLN B 7 -8.410 9.880 -15.288 1.00 0.00 H ATOM 1196 H GLN B 7 -9.262 8.599 -9.720 1.00 0.00 H ATOM 1197 N LEU B 8 -8.963 5.510 -10.597 1.00 10.26 N ATOM 1198 CA LEU B 8 -8.570 4.117 -10.574 1.00 9.44 C ATOM 1199 C LEU B 8 -7.365 3.941 -9.669 1.00 9.32 C ATOM 1200 O LEU B 8 -6.666 4.922 -9.349 1.00 8.78 O ATOM 1201 CB LEU B 8 -8.329 3.571 -11.995 1.00 9.86 C ATOM 1202 CG LEU B 8 -7.368 4.365 -12.906 1.00 9.96 C ATOM 1203 CD1 LEU B 8 -5.938 3.971 -12.589 1.00 10.03 C ATOM 1204 CD2 LEU B 8 -7.654 4.174 -14.404 1.00 10.57 C ATOM 1205 H LEU B 8 -8.292 6.240 -10.282 1.00 0.00 H ATOM 1206 N PHE B 9 -7.144 2.692 -9.266 1.00 8.90 N ATOM 1207 CA PHE B 9 -5.972 2.284 -8.517 1.00 8.87 C ATOM 1208 C PHE B 9 -5.539 0.911 -9.038 1.00 8.89 C ATOM 1209 O PHE B 9 -6.272 0.279 -9.801 1.00 8.71 O ATOM 1210 CB PHE B 9 -6.213 2.291 -7.013 1.00 9.76 C ATOM 1211 CG PHE B 9 -7.247 1.342 -6.568 1.00 9.54 C ATOM 1212 CD1 PHE B 9 -8.570 1.686 -6.630 1.00 10.13 C ATOM 1213 CD2 PHE B 9 -6.901 0.104 -6.082 1.00 10.29 C ATOM 1214 CE1 PHE B 9 -9.571 0.822 -6.188 1.00 9.93 C ATOM 1215 CE2 PHE B 9 -7.878 -0.786 -5.661 1.00 10.25 C ATOM 1216 CZ PHE B 9 -9.219 -0.425 -5.738 1.00 10.66 C ATOM 1217 H PHE B 9 -7.852 1.968 -9.502 1.00 0.00 H ATOM 1218 N SER B 10 -4.347 0.480 -8.666 1.00 8.56 N ATOM 1219 CA SER B 10 -3.729 -0.713 -9.240 1.00 8.82 C ATOM 1220 C SER B 10 -3.678 -1.915 -8.280 1.00 9.17 C ATOM 1221 O SER B 10 -3.384 -1.752 -7.086 1.00 9.23 O ATOM 1222 CB SER B 10 -2.337 -0.360 -9.690 1.00 8.93 C ATOM 1223 OG SER B 10 -2.407 0.535 -10.785 1.00 9.23 O ATOM 1224 HG SER B 10 -2.883 1.357 -10.508 1.00 0.00 H ATOM 1225 H SER B 10 -3.829 1.010 -7.937 1.00 0.00 H ATOM 1226 N VAL B 11 -3.907 -3.108 -8.845 1.00 9.47 N ATOM 1227 CA VAL B 11 -3.868 -4.394 -8.158 1.00 9.73 C ATOM 1228 C VAL B 11 -2.777 -5.172 -8.860 1.00 10.09 C ATOM 1229 O VAL B 11 -2.863 -5.403 -10.059 1.00 10.10 O ATOM 1230 CB VAL B 11 -5.202 -5.148 -8.279 1.00 9.60 C ATOM 1231 CG1 VAL B 11 -5.163 -6.507 -7.540 1.00 10.39 C ATOM 1232 CG2 VAL B 11 -6.346 -4.302 -7.725 1.00 10.11 C ATOM 1233 H VAL B 11 -4.132 -3.118 -9.860 1.00 0.00 H ATOM 1234 N PRO B 12 -1.741 -5.573 -8.120 1.00 10.71 N ATOM 1235 CA PRO B 12 -0.627 -6.266 -8.760 1.00 10.76 C ATOM 1236 C PRO B 12 -0.876 -7.749 -8.964 1.00 11.25 C ATOM 1237 O PRO B 12 -1.113 -8.481 -7.984 1.00 10.09 O ATOM 1238 CB PRO B 12 0.517 -6.061 -7.766 1.00 10.75 C ATOM 1239 CG PRO B 12 -0.160 -5.964 -6.441 1.00 10.77 C ATOM 1240 CD PRO B 12 -1.512 -5.361 -6.673 1.00 10.85 C ATOM 1241 N VAL B 13 -0.760 -8.187 -10.225 1.00 12.13 N ATOM 1242 CA VAL B 13 -1.023 -9.592 -10.581 1.00 12.64 C ATOM 1243 C VAL B 13 0.175 -10.139 -11.339 1.00 14.01 C ATOM 1244 O VAL B 13 1.055 -9.365 -11.775 1.00 14.78 O ATOM 1245 CB VAL B 13 -2.317 -9.742 -11.439 1.00 13.03 C ATOM 1246 CG1 VAL B 13 -3.504 -9.192 -10.660 1.00 13.17 C ATOM 1247 CG2 VAL B 13 -2.221 -9.068 -12.791 1.00 13.87 C ATOM 1248 H VAL B 13 -0.477 -7.519 -10.970 1.00 0.00 H ATOM 1249 N SER B 14 0.194 -11.455 -11.526 1.00 14.10 N ATOM 1250 CA SER B 14 1.252 -12.077 -12.334 1.00 15.51 C ATOM 1251 C SER B 14 0.631 -12.430 -13.686 1.00 16.70 C ATOM 1252 O SER B 14 0.845 -11.743 -14.656 1.00 19.52 O ATOM 1253 CB SER B 14 1.855 -13.274 -11.621 1.00 15.45 C ATOM 1254 OG SER B 14 0.893 -14.299 -11.400 1.00 15.04 O ATOM 1255 HG SER B 14 0.156 -13.944 -10.842 1.00 0.00 H ATOM 1256 H SER B 14 -0.545 -12.048 -11.098 1.00 0.00 H ATOM 1257 N ASP B 15 -0.221 -13.429 -13.721 1.00 17.05 N ATOM 1258 CA ASP B 15 -0.883 -13.849 -14.952 1.00 17.36 C ATOM 1259 C ASP B 15 -2.110 -12.976 -15.185 1.00 17.52 C ATOM 1260 O ASP B 15 -3.097 -13.097 -14.470 1.00 16.86 O ATOM 1261 CB ASP B 15 -1.270 -15.307 -14.814 1.00 17.14 C ATOM 1262 CG ASP B 15 -1.806 -15.906 -16.090 1.00 17.67 C ATOM 1263 OD1 ASP B 15 -2.539 -15.215 -16.815 1.00 17.15 O ATOM 1264 OD2 ASP B 15 -1.519 -17.094 -16.348 1.00 18.34 O ATOM 1265 H ASP B 15 -0.432 -13.939 -12.840 1.00 0.00 H ATOM 1266 N GLN B 16 -2.053 -12.098 -16.184 1.00 17.67 N ATOM 1267 CA GLN B 16 -3.146 -11.145 -16.404 1.00 18.06 C ATOM 1268 C GLN B 16 -4.414 -11.796 -16.971 1.00 20.39 C ATOM 1269 O GLN B 16 -5.516 -11.322 -16.722 1.00 19.02 O ATOM 1270 CB GLN B 16 -2.690 -9.999 -17.302 1.00 19.23 C ATOM 1271 CG GLN B 16 -1.797 -9.015 -16.566 1.00 19.00 C ATOM 1272 CD GLN B 16 -1.301 -7.917 -17.473 1.00 20.57 C ATOM 1273 OE1 GLN B 16 -0.652 -8.197 -18.489 1.00 19.31 O ATOM 1274 NE2 GLN B 16 -1.601 -6.661 -17.130 1.00 21.16 N ATOM 1275 HE22 GLN B 16 -2.149 -6.475 -16.266 1.00 0.00 H ATOM 1276 HE21 GLN B 16 -1.286 -5.870 -17.727 1.00 0.00 H ATOM 1277 H GLN B 16 -1.226 -12.088 -16.814 1.00 0.00 H ATOM 1278 N GLU B 17 -4.254 -12.890 -17.711 1.00 21.02 N ATOM 1279 CA GLU B 17 -5.373 -13.620 -18.277 1.00 22.37 C ATOM 1280 C GLU B 17 -6.174 -14.303 -17.172 1.00 19.81 C ATOM 1281 O GLU B 17 -7.390 -14.246 -17.160 1.00 19.40 O ATOM 1282 CB GLU B 17 -4.881 -14.649 -19.319 1.00 23.92 C ATOM 1283 CG GLU B 17 -5.947 -15.216 -20.224 1.00 28.93 C ATOM 1284 CD GLU B 17 -6.693 -14.167 -21.066 1.00 32.50 C ATOM 1285 OE1 GLU B 17 -7.891 -14.396 -21.350 1.00 36.36 O ATOM 1286 OE2 GLU B 17 -6.103 -13.125 -21.444 1.00 33.02 O ATOM 1287 H GLU B 17 -3.290 -13.235 -17.891 1.00 0.00 H ATOM 1288 N LYS B 18 -5.486 -14.946 -16.244 1.00 19.02 N ATOM 1289 CA LYS B 18 -6.141 -15.581 -15.125 1.00 18.33 C ATOM 1290 C LYS B 18 -6.742 -14.539 -14.177 1.00 16.24 C ATOM 1291 O LYS B 18 -7.788 -14.771 -13.602 1.00 15.16 O ATOM 1292 CB LYS B 18 -5.160 -16.479 -14.369 1.00 20.49 C ATOM 1293 CG LYS B 18 -4.676 -17.622 -15.233 1.00 23.57 C ATOM 1294 CD LYS B 18 -4.034 -18.715 -14.420 1.00 26.73 C ATOM 1295 CE LYS B 18 -3.539 -19.829 -15.327 1.00 30.10 C ATOM 1296 NZ LYS B 18 -3.703 -21.117 -14.628 1.00 33.52 N ATOM 1297 HZ1 LYS B 18 -3.149 -21.105 -13.748 1.00 0.00 H ATOM 1298 HZ2 LYS B 18 -4.708 -21.263 -14.405 1.00 0.00 H ATOM 1299 HZ3 LYS B 18 -3.367 -21.888 -15.240 1.00 0.00 H ATOM 1300 H LYS B 18 -4.450 -14.995 -16.322 1.00 0.00 H ATOM 1301 N ALA B 19 -6.066 -13.400 -14.005 1.00 15.92 N ATOM 1302 CA ALA B 19 -6.609 -12.342 -13.177 1.00 14.61 C ATOM 1303 C ALA B 19 -7.891 -11.764 -13.808 1.00 14.80 C ATOM 1304 O ALA B 19 -8.883 -11.583 -13.122 1.00 13.26 O ATOM 1305 CB ALA B 19 -5.591 -11.255 -12.936 1.00 15.14 C ATOM 1306 H ALA B 19 -5.144 -13.272 -14.468 1.00 0.00 H ATOM 1307 N LYS B 20 -7.861 -11.476 -15.100 1.00 15.42 N ATOM 1308 CA LYS B 20 -9.049 -10.993 -15.832 1.00 16.72 C ATOM 1309 C LYS B 20 -10.218 -11.925 -15.626 1.00 16.27 C ATOM 1310 O LYS B 20 -11.299 -11.520 -15.203 1.00 15.14 O ATOM 1311 CB LYS B 20 -8.770 -10.885 -17.326 1.00 18.99 C ATOM 1312 CG LYS B 20 -9.966 -10.547 -18.225 1.00 21.38 C ATOM 1313 CD LYS B 20 -9.484 -10.444 -19.679 1.00 23.93 C ATOM 1314 CE LYS B 20 -10.582 -10.766 -20.672 1.00 27.01 C ATOM 1315 NZ LYS B 20 -10.125 -10.463 -22.064 1.00 31.19 N ATOM 1316 HZ1 LYS B 20 -9.885 -9.454 -22.137 1.00 0.00 H ATOM 1317 HZ2 LYS B 20 -9.286 -11.037 -22.285 1.00 0.00 H ATOM 1318 HZ3 LYS B 20 -10.887 -10.688 -22.735 1.00 0.00 H ATOM 1319 H LYS B 20 -6.967 -11.594 -15.619 1.00 0.00 H ATOM 1320 N ASP B 21 -9.998 -13.194 -15.924 1.00 15.95 N ATOM 1321 CA ASP B 21 -11.061 -14.166 -15.737 1.00 16.51 C ATOM 1322 C ASP B 21 -11.590 -14.211 -14.284 1.00 14.97 C ATOM 1323 O ASP B 21 -12.774 -14.321 -14.073 1.00 14.66 O ATOM 1324 CB ASP B 21 -10.576 -15.531 -16.211 1.00 19.77 C ATOM 1325 CG ASP B 21 -10.446 -15.603 -17.772 1.00 23.14 C ATOM 1326 OD1 ASP B 21 -10.995 -14.716 -18.524 1.00 25.47 O ATOM 1327 OD2 ASP B 21 -9.840 -16.584 -18.223 1.00 25.43 O ATOM 1328 H ASP B 21 -9.072 -13.494 -16.289 1.00 0.00 H ATOM 1329 N PHE B 22 -10.712 -14.098 -13.282 1.00 13.79 N ATOM 1330 CA PHE B 22 -11.157 -14.098 -11.873 1.00 12.84 C ATOM 1331 C PHE B 22 -12.048 -12.879 -11.551 1.00 11.39 C ATOM 1332 O PHE B 22 -13.114 -13.019 -10.992 1.00 11.52 O ATOM 1333 CB PHE B 22 -9.942 -14.107 -10.929 1.00 12.49 C ATOM 1334 CG PHE B 22 -10.310 -14.121 -9.507 1.00 13.42 C ATOM 1335 CD1 PHE B 22 -10.683 -15.321 -8.899 1.00 13.51 C ATOM 1336 CD2 PHE B 22 -10.304 -12.944 -8.744 1.00 12.47 C ATOM 1337 CE1 PHE B 22 -11.049 -15.354 -7.556 1.00 13.52 C ATOM 1338 CE2 PHE B 22 -10.666 -12.989 -7.421 1.00 13.03 C ATOM 1339 CZ PHE B 22 -11.036 -14.190 -6.823 1.00 13.05 C ATOM 1340 H PHE B 22 -9.699 -14.009 -13.498 1.00 0.00 H ATOM 1341 N TYR B 23 -11.573 -11.675 -11.857 1.00 11.70 N ATOM 1342 CA TYR B 23 -12.293 -10.448 -11.528 1.00 11.23 C ATOM 1343 C TYR B 23 -13.589 -10.299 -12.332 1.00 11.62 C ATOM 1344 O TYR B 23 -14.607 -9.877 -11.780 1.00 12.00 O ATOM 1345 CB TYR B 23 -11.379 -9.196 -11.663 1.00 11.27 C ATOM 1346 CG TYR B 23 -10.429 -9.070 -10.519 1.00 10.48 C ATOM 1347 CD1 TYR B 23 -10.816 -8.473 -9.345 1.00 10.07 C ATOM 1348 CD2 TYR B 23 -9.158 -9.644 -10.573 1.00 10.74 C ATOM 1349 CE1 TYR B 23 -9.944 -8.394 -8.268 1.00 10.38 C ATOM 1350 CE2 TYR B 23 -8.274 -9.554 -9.500 1.00 10.26 C ATOM 1351 CZ TYR B 23 -8.685 -8.973 -8.339 1.00 9.78 C ATOM 1352 OH TYR B 23 -7.827 -8.910 -7.256 1.00 9.80 O ATOM 1353 HH TYR B 23 -7.569 -9.827 -6.987 1.00 0.00 H ATOM 1354 H TYR B 23 -10.658 -11.605 -12.347 1.00 0.00 H ATOM 1355 N VAL B 24 -13.577 -10.685 -13.607 1.00 12.15 N ATOM 1356 CA VAL B 24 -14.750 -10.574 -14.447 1.00 13.65 C ATOM 1357 C VAL B 24 -15.716 -11.720 -14.160 1.00 14.42 C ATOM 1358 O VAL B 24 -16.843 -11.466 -13.804 1.00 15.44 O ATOM 1359 CB VAL B 24 -14.385 -10.477 -15.945 1.00 14.81 C ATOM 1360 CG1 VAL B 24 -15.630 -10.505 -16.819 1.00 15.70 C ATOM 1361 CG2 VAL B 24 -13.600 -9.214 -16.213 1.00 14.14 C ATOM 1362 H VAL B 24 -12.701 -11.076 -14.009 1.00 0.00 H ATOM 1363 N GLU B 25 -15.265 -12.964 -14.270 1.00 15.30 N ATOM 1364 CA GLU B 25 -16.171 -14.153 -14.166 1.00 18.08 C ATOM 1365 C GLU B 25 -16.516 -14.594 -12.747 1.00 17.63 C ATOM 1366 O GLU B 25 -17.620 -15.023 -12.489 1.00 18.56 O ATOM 1367 CB GLU B 25 -15.589 -15.352 -14.934 1.00 19.79 C ATOM 1368 CG GLU B 25 -15.245 -15.062 -16.387 1.00 23.26 C ATOM 1369 CD GLU B 25 -16.416 -14.487 -17.172 1.00 28.65 C ATOM 1370 OE1 GLU B 25 -16.170 -13.680 -18.100 1.00 34.14 O ATOM 1371 OE2 GLU B 25 -17.598 -14.831 -16.864 1.00 30.35 O ATOM 1372 H GLU B 25 -14.250 -13.118 -14.434 1.00 0.00 H ATOM 1373 N THR B 26 -15.575 -14.501 -11.817 1.00 17.56 N ATOM 1374 CA THR B 26 -15.837 -14.939 -10.454 1.00 16.50 C ATOM 1375 C THR B 26 -16.355 -13.788 -9.609 1.00 15.82 C ATOM 1376 O THR B 26 -17.374 -13.901 -8.919 1.00 16.15 O ATOM 1377 CB THR B 26 -14.572 -15.544 -9.835 1.00 17.38 C ATOM 1378 OG1 THR B 26 -14.148 -16.635 -10.656 1.00 17.32 O ATOM 1379 CG2 THR B 26 -14.813 -16.021 -8.429 1.00 17.16 C ATOM 1380 HG1 THR B 26 -14.866 -17.315 -10.695 1.00 0.00 H ATOM 1381 H THR B 26 -14.643 -14.112 -12.064 1.00 0.00 H ATOM 1382 N VAL B 27 -15.637 -12.676 -9.606 1.00 14.91 N ATOM 1383 CA VAL B 27 -16.037 -11.575 -8.762 1.00 14.61 C ATOM 1384 C VAL B 27 -17.203 -10.767 -9.364 1.00 15.43 C ATOM 1385 O VAL B 27 -17.886 -10.004 -8.644 1.00 15.33 O ATOM 1386 CB VAL B 27 -14.812 -10.699 -8.397 1.00 14.93 C ATOM 1387 CG1 VAL B 27 -15.217 -9.586 -7.454 1.00 15.54 C ATOM 1388 CG2 VAL B 27 -13.719 -11.565 -7.759 1.00 14.24 C ATOM 1389 H VAL B 27 -14.792 -12.596 -10.207 1.00 0.00 H ATOM 1390 N GLY B 28 -17.402 -10.905 -10.674 1.00 14.67 N ATOM 1391 CA GLY B 28 -18.518 -10.282 -11.374 1.00 14.51 C ATOM 1392 C GLY B 28 -18.328 -8.851 -11.849 1.00 13.90 C ATOM 1393 O GLY B 28 -19.316 -8.198 -12.145 1.00 14.39 O ATOM 1394 H GLY B 28 -16.732 -11.482 -11.221 1.00 0.00 H ATOM 1395 N PHE B 29 -17.096 -8.351 -11.902 1.00 13.16 N ATOM 1396 CA PHE B 29 -16.824 -7.016 -12.408 1.00 13.55 C ATOM 1397 C PHE B 29 -17.027 -6.973 -13.935 1.00 13.29 C ATOM 1398 O PHE B 29 -16.917 -7.976 -14.613 1.00 13.85 O ATOM 1399 CB PHE B 29 -15.367 -6.589 -12.130 1.00 12.92 C ATOM 1400 CG PHE B 29 -15.041 -6.255 -10.689 1.00 13.28 C ATOM 1401 CD1 PHE B 29 -15.959 -6.393 -9.646 1.00 13.83 C ATOM 1402 CD2 PHE B 29 -13.744 -5.850 -10.373 1.00 13.64 C ATOM 1403 CE1 PHE B 29 -15.608 -6.045 -8.336 1.00 14.46 C ATOM 1404 CE2 PHE B 29 -13.388 -5.505 -9.078 1.00 14.11 C ATOM 1405 CZ PHE B 29 -14.331 -5.609 -8.052 1.00 13.96 C ATOM 1406 H PHE B 29 -16.302 -8.935 -11.570 1.00 0.00 H ATOM 1407 N ASP B 30 -17.329 -5.790 -14.439 1.00 13.99 N ATOM 1408 CA ASP B 30 -17.292 -5.519 -15.875 1.00 15.63 C ATOM 1409 C ASP B 30 -15.870 -5.320 -16.344 1.00 15.60 C ATOM 1410 O ASP B 30 -15.056 -4.784 -15.594 1.00 13.53 O ATOM 1411 CB ASP B 30 -18.077 -4.258 -16.213 1.00 16.51 C ATOM 1412 CG ASP B 30 -19.595 -4.455 -16.183 1.00 18.87 C ATOM 1413 OD1 ASP B 30 -20.141 -5.576 -16.080 1.00 19.94 O ATOM 1414 OD2 ASP B 30 -20.267 -3.424 -16.245 1.00 20.96 O ATOM 1415 H ASP B 30 -17.603 -5.024 -13.791 1.00 0.00 H ATOM 1416 N LEU B 31 -15.597 -5.730 -17.588 1.00 14.66 N ATOM 1417 CA LEU B 31 -14.314 -5.462 -18.256 1.00 15.11 C ATOM 1418 C LEU B 31 -14.428 -4.130 -18.935 1.00 14.87 C ATOM 1419 O LEU B 31 -15.219 -3.985 -19.864 1.00 13.62 O ATOM 1420 CB LEU B 31 -13.972 -6.549 -19.268 1.00 15.32 C ATOM 1421 CG LEU B 31 -12.647 -6.346 -20.039 1.00 16.19 C ATOM 1422 CD1 LEU B 31 -11.456 -6.413 -19.103 1.00 16.33 C ATOM 1423 CD2 LEU B 31 -12.466 -7.349 -21.189 1.00 16.31 C ATOM 1424 H LEU B 31 -16.325 -6.262 -18.106 1.00 0.00 H ATOM 1425 N LEU B 32 -13.676 -3.139 -18.476 1.00 14.90 N ATOM 1426 CA LEU B 32 -13.767 -1.791 -19.025 1.00 15.95 C ATOM 1427 C LEU B 32 -12.835 -1.617 -20.221 1.00 16.42 C ATOM 1428 O LEU B 32 -13.184 -0.939 -21.165 1.00 17.98 O ATOM 1429 CB LEU B 32 -13.451 -0.720 -17.974 1.00 16.00 C ATOM 1430 CG LEU B 32 -14.433 -0.635 -16.799 1.00 17.31 C ATOM 1431 CD1 LEU B 32 -14.047 0.527 -15.879 1.00 18.35 C ATOM 1432 CD2 LEU B 32 -15.868 -0.457 -17.271 1.00 18.71 C ATOM 1433 H LEU B 32 -13.004 -3.328 -17.705 1.00 0.00 H ATOM 1434 N ALA B 33 -11.674 -2.245 -20.187 1.00 16.85 N ATOM 1435 CA ALA B 33 -10.674 -2.057 -21.225 1.00 17.22 C ATOM 1436 C ALA B 33 -9.695 -3.231 -21.201 1.00 18.05 C ATOM 1437 O ALA B 33 -9.373 -3.735 -20.123 1.00 17.40 O ATOM 1438 CB ALA B 33 -9.952 -0.724 -20.987 1.00 16.85 C ATOM 1439 H ALA B 33 -11.470 -2.891 -19.398 1.00 0.00 H ATOM 1440 N ASP B 34 -9.225 -3.645 -22.378 1.00 18.50 N ATOM 1441 CA ASP B 34 -8.198 -4.683 -22.522 1.00 21.57 C ATOM 1442 C ASP B 34 -7.427 -4.306 -23.790 1.00 23.95 C ATOM 1443 O ASP B 34 -7.830 -4.657 -24.906 1.00 24.03 O ATOM 1444 CB ASP B 34 -8.783 -6.099 -22.577 1.00 22.60 C ATOM 1445 CG ASP B 34 -7.698 -7.181 -22.545 1.00 24.19 C ATOM 1446 OD1 ASP B 34 -6.518 -6.853 -22.722 1.00 25.65 O ATOM 1447 OD2 ASP B 34 -7.979 -8.372 -22.307 1.00 27.42 O ATOM 1448 H ASP B 34 -9.607 -3.208 -23.241 1.00 0.00 H ATOM 1449 N GLN B 35 -6.359 -3.531 -23.618 1.00 23.50 N ATOM 1450 CA GLN B 35 -5.692 -2.879 -24.751 1.00 24.24 C ATOM 1451 C GLN B 35 -4.238 -2.579 -24.445 1.00 25.39 C ATOM 1452 O GLN B 35 -3.845 -2.650 -23.276 1.00 24.64 O ATOM 1453 CB GLN B 35 -6.427 -1.566 -25.108 1.00 24.92 C ATOM 1454 CG GLN B 35 -6.532 -0.547 -23.978 1.00 23.97 C ATOM 1455 CD GLN B 35 -7.641 0.500 -24.175 1.00 23.31 C ATOM 1456 OE1 GLN B 35 -8.769 0.195 -24.576 1.00 26.42 O ATOM 1457 NE2 GLN B 35 -7.339 1.713 -23.849 1.00 20.93 N ATOM 1458 HE22 GLN B 35 -6.380 1.938 -23.515 1.00 0.00 H ATOM 1459 HE21 GLN B 35 -8.055 2.464 -23.921 1.00 0.00 H ATOM 1460 H GLN B 35 -5.988 -3.384 -22.658 1.00 0.00 H ATOM 1461 N PRO B 36 -3.434 -2.218 -25.486 1.00 26.98 N ATOM 1462 CA PRO B 36 -2.055 -1.824 -25.214 1.00 25.08 C ATOM 1463 C PRO B 36 -1.977 -0.574 -24.367 1.00 24.94 C ATOM 1464 O PRO B 36 -2.719 0.398 -24.601 1.00 22.99 O ATOM 1465 CB PRO B 36 -1.456 -1.565 -26.622 1.00 27.25 C ATOM 1466 CG PRO B 36 -2.335 -2.304 -27.565 1.00 27.90 C ATOM 1467 CD PRO B 36 -3.709 -2.230 -26.951 1.00 27.83 C ATOM 1468 N GLY B 37 -1.095 -0.629 -23.371 1.00 25.26 N ATOM 1469 CA GLY B 37 -0.831 0.496 -22.486 1.00 28.03 C ATOM 1470 C GLY B 37 0.644 0.812 -22.510 1.00 29.26 C ATOM 1471 O GLY B 37 1.415 0.135 -23.194 1.00 29.36 O ATOM 1472 H GLY B 37 -0.572 -1.515 -23.219 1.00 0.00 H ATOM 1473 N VAL B 38 1.029 1.821 -21.729 1.00 33.18 N ATOM 1474 CA VAL B 38 2.391 2.349 -21.751 1.00 35.54 C ATOM 1475 C VAL B 38 3.401 1.281 -21.333 1.00 34.37 C ATOM 1476 O VAL B 38 4.415 1.150 -21.975 1.00 30.62 O ATOM 1477 CB VAL B 38 2.566 3.606 -20.847 1.00 37.87 C ATOM 1478 CG1 VAL B 38 4.027 4.074 -20.838 1.00 39.71 C ATOM 1479 CG2 VAL B 38 1.668 4.753 -21.307 1.00 39.21 C ATOM 1480 H VAL B 38 0.336 2.247 -21.081 1.00 0.00 H ATOM 1481 N HIS B 39 3.105 0.525 -20.273 1.00 35.19 N ATOM 1482 CA HIS B 39 4.097 -0.351 -19.616 1.00 38.31 C ATOM 1483 C HIS B 39 3.733 -1.815 -19.699 1.00 35.83 C ATOM 1484 O HIS B 39 4.294 -2.642 -18.973 1.00 36.55 O ATOM 1485 CB HIS B 39 4.267 0.062 -18.148 1.00 41.25 C ATOM 1486 CG HIS B 39 4.875 1.417 -17.992 1.00 47.30 C ATOM 1487 ND1 HIS B 39 4.224 2.462 -17.372 1.00 50.69 N ATOM 1488 CD2 HIS B 39 6.057 1.914 -18.431 1.00 49.58 C ATOM 1489 CE1 HIS B 39 4.989 3.541 -17.414 1.00 51.50 C ATOM 1490 NE2 HIS B 39 6.104 3.235 -18.054 1.00 52.06 N ATOM 1491 H HIS B 39 2.137 0.554 -19.894 1.00 0.00 H ATOM 1492 N GLY B 40 2.833 -2.130 -20.621 1.00 32.17 N ATOM 1493 CA GLY B 40 2.291 -3.458 -20.771 1.00 31.97 C ATOM 1494 C GLY B 40 0.817 -3.395 -21.148 1.00 30.20 C ATOM 1495 O GLY B 40 0.283 -2.339 -21.531 1.00 31.23 O ATOM 1496 H GLY B 40 2.503 -1.384 -21.266 1.00 0.00 H ATOM 1497 N ARG B 41 0.184 -4.554 -21.047 1.00 24.52 N ATOM 1498 CA ARG B 41 -1.217 -4.703 -21.311 1.00 23.91 C ATOM 1499 C ARG B 41 -2.039 -3.977 -20.237 1.00 19.29 C ATOM 1500 O ARG B 41 -1.883 -4.250 -19.067 1.00 19.23 O ATOM 1501 CB ARG B 41 -1.563 -6.171 -21.295 1.00 24.72 C ATOM 1502 CG ARG B 41 -3.009 -6.505 -21.592 1.00 25.20 C ATOM 1503 CD ARG B 41 -3.112 -8.000 -21.383 1.00 26.15 C ATOM 1504 NE ARG B 41 -4.444 -8.548 -21.569 1.00 28.31 N ATOM 1505 CZ ARG B 41 -4.747 -9.839 -21.407 1.00 27.71 C ATOM 1506 NH1 ARG B 41 -3.816 -10.724 -21.048 1.00 29.08 N ATOM 1507 NH2 ARG B 41 -5.988 -10.252 -21.610 1.00 29.13 N ATOM 1508 HE ARG B 41 -5.207 -7.897 -21.845 1.00 0.00 H ATOM 1509 HH12 ARG B 41 -4.070 -11.725 -20.926 1.00 0.00 H ATOM 1510 HH11 ARG B 41 -2.836 -10.413 -20.890 1.00 0.00 H ATOM 1511 HH22 ARG B 41 -6.229 -11.256 -21.485 1.00 0.00 H ATOM 1512 HH21 ARG B 41 -6.722 -9.573 -21.894 1.00 0.00 H ATOM 1513 H ARG B 41 0.728 -5.394 -20.763 1.00 0.00 H ATOM 1514 N TRP B 42 -2.889 -3.062 -20.681 1.00 17.87 N ATOM 1515 CA TRP B 42 -3.821 -2.326 -19.842 1.00 16.70 C ATOM 1516 C TRP B 42 -5.125 -3.084 -19.709 1.00 16.96 C ATOM 1517 O TRP B 42 -5.919 -3.179 -20.674 1.00 16.01 O ATOM 1518 CB TRP B 42 -4.078 -0.977 -20.452 1.00 17.03 C ATOM 1519 CG TRP B 42 -4.976 -0.103 -19.690 1.00 17.85 C ATOM 1520 CD1 TRP B 42 -6.306 0.118 -19.926 1.00 18.44 C ATOM 1521 CD2 TRP B 42 -4.614 0.750 -18.618 1.00 18.22 C ATOM 1522 NE1 TRP B 42 -6.797 1.032 -19.047 1.00 18.50 N ATOM 1523 CE2 TRP B 42 -5.789 1.427 -18.210 1.00 18.72 C ATOM 1524 CE3 TRP B 42 -3.424 0.985 -17.925 1.00 18.09 C ATOM 1525 CZ2 TRP B 42 -5.800 2.358 -17.156 1.00 17.96 C ATOM 1526 CZ3 TRP B 42 -3.445 1.894 -16.853 1.00 17.70 C ATOM 1527 CH2 TRP B 42 -4.618 2.572 -16.487 1.00 17.60 C ATOM 1528 HE1 TRP B 42 -7.778 1.375 -19.016 1.00 0.00 H ATOM 1529 H TRP B 42 -2.889 -2.856 -21.700 1.00 0.00 H ATOM 1530 N LEU B 43 -5.387 -3.578 -18.494 1.00 15.48 N ATOM 1531 CA LEU B 43 -6.528 -4.429 -18.241 1.00 14.90 C ATOM 1532 C LEU B 43 -7.284 -3.796 -17.056 1.00 13.87 C ATOM 1533 O LEU B 43 -6.723 -3.673 -15.967 1.00 12.23 O ATOM 1534 CB LEU B 43 -6.029 -5.836 -17.960 1.00 16.77 C ATOM 1535 CG LEU B 43 -7.005 -6.845 -17.380 1.00 17.99 C ATOM 1536 CD1 LEU B 43 -8.079 -7.110 -18.409 1.00 19.45 C ATOM 1537 CD2 LEU B 43 -6.299 -8.149 -17.016 1.00 19.01 C ATOM 1538 H LEU B 43 -4.750 -3.343 -17.706 1.00 0.00 H ATOM 1539 N GLN B 44 -8.469 -3.259 -17.332 1.00 12.47 N ATOM 1540 CA GLN B 44 -9.208 -2.415 -16.399 1.00 13.01 C ATOM 1541 C GLN B 44 -10.587 -2.999 -16.177 1.00 12.63 C ATOM 1542 O GLN B 44 -11.304 -3.349 -17.144 1.00 14.35 O ATOM 1543 CB GLN B 44 -9.330 -1.000 -16.950 1.00 14.09 C ATOM 1544 CG GLN B 44 -10.012 0.049 -16.057 1.00 13.41 C ATOM 1545 CD GLN B 44 -10.017 1.418 -16.708 1.00 15.08 C ATOM 1546 OE1 GLN B 44 -9.612 1.553 -17.864 1.00 18.73 O ATOM 1547 NE2 GLN B 44 -10.441 2.441 -15.988 1.00 14.70 N ATOM 1548 HE22 GLN B 44 -10.776 2.289 -15.015 1.00 0.00 H ATOM 1549 HE21 GLN B 44 -10.440 3.399 -16.394 1.00 0.00 H ATOM 1550 H GLN B 44 -8.892 -3.451 -18.263 1.00 0.00 H ATOM 1551 N VAL B 45 -10.962 -3.103 -14.911 1.00 11.76 N ATOM 1552 CA VAL B 45 -12.191 -3.781 -14.484 1.00 11.21 C ATOM 1553 C VAL B 45 -12.849 -2.954 -13.369 1.00 11.73 C ATOM 1554 O VAL B 45 -12.165 -2.257 -12.633 1.00 11.94 O ATOM 1555 CB VAL B 45 -11.921 -5.196 -13.955 1.00 10.71 C ATOM 1556 CG1 VAL B 45 -11.389 -6.096 -15.098 1.00 10.85 C ATOM 1557 CG2 VAL B 45 -10.951 -5.172 -12.778 1.00 10.60 C ATOM 1558 H VAL B 45 -10.353 -2.682 -14.181 1.00 0.00 H ATOM 1559 N ALA B 46 -14.150 -3.093 -13.212 1.00 12.24 N ATOM 1560 CA ALA B 46 -14.893 -2.384 -12.130 1.00 12.70 C ATOM 1561 C ALA B 46 -16.264 -2.965 -11.950 1.00 13.71 C ATOM 1562 O ALA B 46 -16.852 -3.476 -12.913 1.00 14.23 O ATOM 1563 CB ALA B 46 -15.058 -0.901 -12.452 1.00 12.45 C ATOM 1564 H ALA B 46 -14.674 -3.715 -13.861 1.00 0.00 H ATOM 1565 N PRO B 47 -16.828 -2.820 -10.731 1.00 15.55 N ATOM 1566 CA PRO B 47 -18.247 -3.108 -10.602 1.00 16.73 C ATOM 1567 C PRO B 47 -19.067 -2.206 -11.565 1.00 17.81 C ATOM 1568 O PRO B 47 -18.660 -1.072 -11.898 1.00 15.95 O ATOM 1569 CB PRO B 47 -18.535 -2.795 -9.121 1.00 17.43 C ATOM 1570 CG PRO B 47 -17.209 -2.773 -8.437 1.00 16.84 C ATOM 1571 CD PRO B 47 -16.245 -2.282 -9.489 1.00 16.43 C ATOM 1572 N LYS B 48 -20.163 -2.744 -12.081 1.00 18.84 N ATOM 1573 CA LYS B 48 -20.979 -2.012 -13.032 1.00 19.99 C ATOM 1574 C LYS B 48 -21.444 -0.733 -12.381 1.00 18.03 C ATOM 1575 O LYS B 48 -21.844 -0.754 -11.225 1.00 19.64 O ATOM 1576 CB LYS B 48 -22.193 -2.852 -13.485 1.00 22.98 C ATOM 1577 CG LYS B 48 -23.052 -2.139 -14.541 1.00 25.54 C ATOM 1578 CD LYS B 48 -24.242 -2.961 -15.070 1.00 28.51 C ATOM 1579 CE LYS B 48 -23.867 -4.316 -15.699 1.00 30.89 C ATOM 1580 NZ LYS B 48 -23.038 -4.261 -16.940 1.00 31.91 N ATOM 1581 HZ1 LYS B 48 -23.552 -3.735 -17.676 1.00 0.00 H ATOM 1582 HZ2 LYS B 48 -22.139 -3.781 -16.734 1.00 0.00 H ATOM 1583 HZ3 LYS B 48 -22.848 -5.228 -17.272 1.00 0.00 H ATOM 1584 H LYS B 48 -20.442 -3.706 -11.800 1.00 0.00 H ATOM 1585 N GLY B 49 -21.299 0.375 -13.093 1.00 18.19 N ATOM 1586 CA GLY B 49 -21.792 1.667 -12.632 1.00 18.90 C ATOM 1587 C GLY B 49 -20.900 2.441 -11.664 1.00 18.54 C ATOM 1588 O GLY B 49 -21.233 3.588 -11.322 1.00 20.19 O ATOM 1589 H GLY B 49 -20.817 0.321 -14.013 1.00 0.00 H ATOM 1590 N ALA B 50 -19.785 1.850 -11.233 1.00 16.74 N ATOM 1591 CA ALA B 50 -18.907 2.476 -10.218 1.00 14.99 C ATOM 1592 C ALA B 50 -17.992 3.544 -10.792 1.00 13.80 C ATOM 1593 O ALA B 50 -17.528 3.427 -11.915 1.00 13.28 O ATOM 1594 CB ALA B 50 -18.087 1.417 -9.535 1.00 15.89 C ATOM 1595 H ALA B 50 -19.524 0.921 -11.621 1.00 0.00 H ATOM 1596 N ASP B 51 -17.728 4.581 -10.009 1.00 13.32 N ATOM 1597 CA ASP B 51 -16.808 5.661 -10.415 1.00 14.51 C ATOM 1598 C ASP B 51 -15.365 5.196 -10.436 1.00 12.98 C ATOM 1599 O ASP B 51 -14.597 5.556 -11.343 1.00 14.75 O ATOM 1600 CB ASP B 51 -16.934 6.890 -9.503 1.00 15.52 C ATOM 1601 CG ASP B 51 -18.305 7.572 -9.601 1.00 18.04 C ATOM 1602 OD1 ASP B 51 -18.883 7.596 -10.698 1.00 18.82 O ATOM 1603 OD2 ASP B 51 -18.791 8.119 -8.565 1.00 19.09 O ATOM 1604 H ASP B 51 -18.185 4.635 -9.076 1.00 0.00 H ATOM 1605 N THR B 52 -14.972 4.424 -9.421 1.00 11.44 N ATOM 1606 CA THR B 52 -13.574 4.044 -9.256 1.00 10.15 C ATOM 1607 C THR B 52 -13.350 2.620 -9.803 1.00 9.86 C ATOM 1608 O THR B 52 -14.069 1.704 -9.385 1.00 9.03 O ATOM 1609 CB THR B 52 -13.153 4.126 -7.768 1.00 9.58 C ATOM 1610 OG1 THR B 52 -13.342 5.445 -7.245 1.00 8.27 O ATOM 1611 CG2 THR B 52 -11.669 3.729 -7.606 1.00 9.63 C ATOM 1612 HG1 THR B 52 -12.794 6.086 -7.763 1.00 0.00 H ATOM 1613 H THR B 52 -15.677 4.087 -8.734 1.00 0.00 H ATOM 1614 N SER B 53 -12.370 2.460 -10.710 1.00 9.45 N ATOM 1615 CA SER B 53 -12.032 1.172 -11.332 1.00 9.14 C ATOM 1616 C SER B 53 -10.677 0.664 -10.873 1.00 9.76 C ATOM 1617 O SER B 53 -9.959 1.358 -10.110 1.00 8.09 O ATOM 1618 CB SER B 53 -12.125 1.323 -12.845 1.00 10.08 C ATOM 1619 OG SER B 53 -11.282 2.371 -13.337 1.00 9.87 O ATOM 1620 HG SER B 53 -11.551 3.230 -12.925 1.00 0.00 H ATOM 1621 H SER B 53 -11.819 3.297 -10.988 1.00 0.00 H ATOM 1622 N LEU B 54 -10.343 -0.575 -11.275 1.00 10.06 N ATOM 1623 CA LEU B 54 -9.152 -1.249 -10.853 1.00 10.25 C ATOM 1624 C LEU B 54 -8.348 -1.603 -12.107 1.00 10.66 C ATOM 1625 O LEU B 54 -8.932 -1.960 -13.154 1.00 10.15 O ATOM 1626 CB LEU B 54 -9.496 -2.494 -10.059 1.00 11.48 C ATOM 1627 CG LEU B 54 -10.293 -2.245 -8.758 1.00 11.95 C ATOM 1628 CD1 LEU B 54 -11.791 -2.133 -9.036 1.00 13.38 C ATOM 1629 CD2 LEU B 54 -10.108 -3.401 -7.820 1.00 12.08 C ATOM 1630 H LEU B 54 -10.984 -1.070 -11.927 1.00 0.00 H ATOM 1631 N VAL B 55 -7.031 -1.522 -12.009 1.00 10.37 N ATOM 1632 CA VAL B 55 -6.180 -1.857 -13.151 1.00 11.43 C ATOM 1633 C VAL B 55 -5.346 -3.041 -12.699 1.00 11.42 C ATOM 1634 O VAL B 55 -4.727 -2.985 -11.643 1.00 10.77 O ATOM 1635 CB VAL B 55 -5.287 -0.686 -13.581 1.00 12.78 C ATOM 1636 CG1 VAL B 55 -4.526 -1.076 -14.835 1.00 13.34 C ATOM 1637 CG2 VAL B 55 -6.136 0.509 -13.932 1.00 13.82 C ATOM 1638 H VAL B 55 -6.598 -1.218 -11.114 1.00 0.00 H ATOM 1639 N LEU B 56 -5.355 -4.118 -13.479 1.00 11.53 N ATOM 1640 CA LEU B 56 -4.656 -5.333 -13.084 1.00 12.16 C ATOM 1641 C LEU B 56 -3.268 -5.270 -13.728 1.00 13.70 C ATOM 1642 O LEU B 56 -3.125 -5.564 -14.908 1.00 13.46 O ATOM 1643 CB LEU B 56 -5.471 -6.550 -13.506 1.00 12.54 C ATOM 1644 CG LEU B 56 -6.901 -6.565 -12.979 1.00 13.38 C ATOM 1645 CD1 LEU B 56 -7.590 -7.809 -13.507 1.00 14.07 C ATOM 1646 CD2 LEU B 56 -6.981 -6.464 -11.466 1.00 14.13 C ATOM 1647 H LEU B 56 -5.868 -4.092 -14.383 1.00 0.00 H ATOM 1648 N VAL B 57 -2.264 -4.897 -12.929 1.00 13.89 N ATOM 1649 CA VAL B 57 -0.941 -4.511 -13.432 1.00 14.49 C ATOM 1650 C VAL B 57 0.136 -5.513 -13.057 1.00 14.98 C ATOM 1651 O VAL B 57 0.014 -6.191 -12.072 1.00 14.91 O ATOM 1652 CB VAL B 57 -0.488 -3.144 -12.853 1.00 14.08 C ATOM 1653 CG1 VAL B 57 -1.492 -2.078 -13.191 1.00 14.73 C ATOM 1654 CG2 VAL B 57 -0.147 -3.218 -11.336 1.00 14.50 C ATOM 1655 H VAL B 57 -2.428 -4.879 -11.902 1.00 0.00 H ATOM 1656 N ASP B 58 1.215 -5.578 -13.830 1.00 16.50 N ATOM 1657 CA ASP B 58 2.362 -6.427 -13.453 1.00 18.56 C ATOM 1658 C ASP B 58 3.695 -5.687 -13.577 1.00 19.79 C ATOM 1659 O ASP B 58 4.757 -6.332 -13.587 1.00 20.75 O ATOM 1660 CB ASP B 58 2.398 -7.695 -14.312 1.00 20.34 C ATOM 1661 CG ASP B 58 2.661 -7.407 -15.820 1.00 21.67 C ATOM 1662 OD1 ASP B 58 2.719 -6.243 -16.253 1.00 20.61 O ATOM 1663 OD2 ASP B 58 2.798 -8.384 -16.576 1.00 23.49 O ATOM 1664 H ASP B 58 1.252 -5.025 -14.710 1.00 0.00 H ATOM 1665 N TRP B 59 3.665 -4.361 -13.610 1.00 18.62 N ATOM 1666 CA TRP B 59 4.885 -3.599 -13.940 1.00 19.72 C ATOM 1667 C TRP B 59 5.397 -2.655 -12.835 1.00 20.20 C ATOM 1668 O TRP B 59 6.213 -1.774 -13.129 1.00 20.91 O ATOM 1669 CB TRP B 59 4.694 -2.854 -15.271 1.00 19.79 C ATOM 1670 CG TRP B 59 3.566 -1.916 -15.272 1.00 19.63 C ATOM 1671 CD1 TRP B 59 3.518 -0.676 -14.694 1.00 20.86 C ATOM 1672 CD2 TRP B 59 2.300 -2.121 -15.884 1.00 20.40 C ATOM 1673 NE1 TRP B 59 2.284 -0.090 -14.913 1.00 20.83 N ATOM 1674 CE2 TRP B 59 1.520 -0.953 -15.651 1.00 20.49 C ATOM 1675 CE3 TRP B 59 1.745 -3.162 -16.626 1.00 21.81 C ATOM 1676 CZ2 TRP B 59 0.215 -0.819 -16.125 1.00 20.47 C ATOM 1677 CZ3 TRP B 59 0.456 -3.029 -17.091 1.00 21.82 C ATOM 1678 CH2 TRP B 59 -0.307 -1.873 -16.821 1.00 21.93 C ATOM 1679 HE1 TRP B 59 1.987 0.847 -14.574 1.00 0.00 H ATOM 1680 H TRP B 59 2.779 -3.857 -13.403 1.00 0.00 H ATOM 1681 N PHE B 60 4.946 -2.826 -11.578 1.00 16.99 N ATOM 1682 CA PHE B 60 5.454 -2.006 -10.472 1.00 16.07 C ATOM 1683 C PHE B 60 6.304 -2.860 -9.525 1.00 15.57 C ATOM 1684 O PHE B 60 5.757 -3.618 -8.726 1.00 14.93 O ATOM 1685 CB PHE B 60 4.314 -1.323 -9.699 1.00 15.48 C ATOM 1686 CG PHE B 60 3.590 -0.271 -10.498 1.00 16.34 C ATOM 1687 CD1 PHE B 60 4.292 0.764 -11.109 1.00 15.80 C ATOM 1688 CD2 PHE B 60 2.212 -0.342 -10.694 1.00 17.70 C ATOM 1689 CE1 PHE B 60 3.647 1.728 -11.880 1.00 17.60 C ATOM 1690 CE2 PHE B 60 1.550 0.635 -11.455 1.00 17.22 C ATOM 1691 CZ PHE B 60 2.272 1.663 -12.051 1.00 17.45 C ATOM 1692 H PHE B 60 4.225 -3.551 -11.388 1.00 0.00 H ATOM 1693 N PRO B 61 7.645 -2.787 -9.637 1.00 15.11 N ATOM 1694 CA PRO B 61 8.462 -3.679 -8.752 1.00 15.87 C ATOM 1695 C PRO B 61 8.206 -3.535 -7.249 1.00 15.57 C ATOM 1696 O PRO B 61 8.313 -4.529 -6.490 1.00 17.20 O ATOM 1697 CB PRO B 61 9.916 -3.285 -9.067 1.00 16.17 C ATOM 1698 CG PRO B 61 9.851 -2.590 -10.389 1.00 16.11 C ATOM 1699 CD PRO B 61 8.481 -1.960 -10.514 1.00 15.61 C ATOM 1700 N THR B 62 7.828 -2.342 -6.818 1.00 13.50 N ATOM 1701 CA THR B 62 7.458 -2.096 -5.417 1.00 13.45 C ATOM 1702 C THR B 62 6.125 -2.704 -4.998 1.00 12.60 C ATOM 1703 O THR B 62 5.782 -2.680 -3.812 1.00 12.28 O ATOM 1704 CB THR B 62 7.437 -0.572 -5.084 1.00 13.74 C ATOM 1705 OG1 THR B 62 6.461 0.114 -5.878 1.00 13.70 O ATOM 1706 CG2 THR B 62 8.836 0.082 -5.307 1.00 14.51 C ATOM 1707 HG1 THR B 62 6.679 0.001 -6.837 1.00 0.00 H ATOM 1708 H THR B 62 7.792 -1.552 -7.493 1.00 0.00 H ATOM 1709 N MET B 63 5.370 -3.248 -5.960 1.00 12.43 N ATOM 1710 CA MET B 63 4.133 -3.944 -5.718 1.00 12.81 C ATOM 1711 C MET B 63 4.197 -5.342 -6.295 1.00 12.59 C ATOM 1712 O MET B 63 3.689 -5.598 -7.400 1.00 12.93 O ATOM 1713 CB MET B 63 3.000 -3.144 -6.378 1.00 12.68 C ATOM 1714 CG MET B 63 2.740 -1.792 -5.709 1.00 12.07 C ATOM 1715 SD MET B 63 1.567 -0.778 -6.650 1.00 11.08 S ATOM 1716 CE MET B 63 0.070 -1.747 -6.524 1.00 12.35 C ATOM 1717 H MET B 63 5.697 -3.163 -6.943 1.00 0.00 H ATOM 1718 N PRO B 64 4.776 -6.271 -5.548 1.00 13.08 N ATOM 1719 CA PRO B 64 4.853 -7.620 -6.137 1.00 13.12 C ATOM 1720 C PRO B 64 3.471 -8.240 -6.321 1.00 12.66 C ATOM 1721 O PRO B 64 2.541 -7.872 -5.604 1.00 12.31 O ATOM 1722 CB PRO B 64 5.652 -8.431 -5.092 1.00 13.89 C ATOM 1723 CG PRO B 64 6.304 -7.411 -4.196 1.00 14.12 C ATOM 1724 CD PRO B 64 5.436 -6.181 -4.229 1.00 13.76 C ATOM 1725 N PRO B 65 3.333 -9.198 -7.239 1.00 13.27 N ATOM 1726 CA PRO B 65 2.037 -9.867 -7.402 1.00 12.47 C ATOM 1727 C PRO B 65 1.537 -10.424 -6.092 1.00 11.40 C ATOM 1728 O PRO B 65 2.305 -11.005 -5.348 1.00 11.58 O ATOM 1729 CB PRO B 65 2.328 -11.001 -8.403 1.00 13.34 C ATOM 1730 CG PRO B 65 3.584 -10.600 -9.088 1.00 13.96 C ATOM 1731 CD PRO B 65 4.373 -9.744 -8.142 1.00 13.56 C ATOM 1732 N GLY B 66 0.266 -10.207 -5.804 1.00 11.15 N ATOM 1733 CA GLY B 66 -0.386 -10.765 -4.646 1.00 10.70 C ATOM 1734 C GLY B 66 -0.149 -10.022 -3.340 1.00 10.15 C ATOM 1735 O GLY B 66 -0.548 -10.495 -2.313 1.00 9.66 O ATOM 1736 H GLY B 66 -0.291 -9.605 -6.443 1.00 0.00 H ATOM 1737 N SER B 67 0.474 -8.834 -3.396 1.00 9.99 N ATOM 1738 CA SER B 67 0.924 -8.149 -2.225 1.00 9.89 C ATOM 1739 C SER B 67 -0.122 -7.194 -1.657 1.00 9.65 C ATOM 1740 O SER B 67 0.049 -6.690 -0.559 1.00 9.60 O ATOM 1741 CB SER B 67 2.203 -7.354 -2.543 1.00 10.07 C ATOM 1742 OG SER B 67 1.980 -6.382 -3.556 1.00 10.11 O ATOM 1743 HG SER B 67 1.679 -6.833 -4.384 1.00 0.00 H ATOM 1744 H SER B 67 0.635 -8.396 -4.325 1.00 0.00 H ATOM 1745 N LEU B 68 -1.183 -6.929 -2.408 1.00 9.46 N ATOM 1746 CA LEU B 68 -2.173 -5.947 -1.963 1.00 10.18 C ATOM 1747 C LEU B 68 -3.058 -6.469 -0.816 1.00 9.62 C ATOM 1748 O LEU B 68 -3.465 -7.629 -0.813 1.00 9.56 O ATOM 1749 CB LEU B 68 -3.013 -5.523 -3.165 1.00 11.41 C ATOM 1750 CG LEU B 68 -4.129 -4.510 -2.865 1.00 12.78 C ATOM 1751 CD1 LEU B 68 -4.238 -3.544 -4.017 1.00 13.69 C ATOM 1752 CD2 LEU B 68 -5.465 -5.199 -2.644 1.00 13.96 C ATOM 1753 H LEU B 68 -1.312 -7.420 -3.316 1.00 0.00 H ATOM 1754 N ARG B 69 -3.389 -5.581 0.126 1.00 9.68 N ATOM 1755 CA ARG B 69 -4.233 -5.877 1.280 1.00 9.37 C ATOM 1756 C ARG B 69 -5.071 -4.625 1.500 1.00 9.47 C ATOM 1757 O ARG B 69 -4.748 -3.567 0.956 1.00 9.47 O ATOM 1758 CB ARG B 69 -3.391 -6.079 2.555 1.00 10.01 C ATOM 1759 CG ARG B 69 -2.344 -7.178 2.513 1.00 10.18 C ATOM 1760 CD ARG B 69 -3.014 -8.503 2.549 1.00 10.58 C ATOM 1761 NE ARG B 69 -2.093 -9.627 2.547 1.00 10.74 N ATOM 1762 CZ ARG B 69 -1.515 -10.162 1.458 1.00 11.88 C ATOM 1763 NH1 ARG B 69 -0.730 -11.243 1.605 1.00 11.96 N ATOM 1764 NH2 ARG B 69 -1.706 -9.663 0.240 1.00 12.01 N ATOM 1765 HE ARG B 69 -1.861 -10.054 3.467 1.00 0.00 H ATOM 1766 HH12 ARG B 69 -0.274 -11.671 0.774 1.00 0.00 H ATOM 1767 HH11 ARG B 69 -0.579 -11.651 2.550 1.00 0.00 H ATOM 1768 HH22 ARG B 69 -1.243 -10.103 -0.581 1.00 0.00 H ATOM 1769 HH21 ARG B 69 -2.319 -8.833 0.108 1.00 0.00 H ATOM 1770 H ARG B 69 -3.020 -4.613 0.031 1.00 0.00 H ATOM 1771 N GLY B 70 -6.111 -4.737 2.317 1.00 8.98 N ATOM 1772 CA GLY B 70 -6.835 -3.556 2.762 1.00 9.21 C ATOM 1773 C GLY B 70 -7.748 -2.964 1.710 1.00 9.33 C ATOM 1774 O GLY B 70 -8.049 -1.756 1.717 1.00 10.22 O ATOM 1775 H GLY B 70 -6.411 -5.678 2.642 1.00 0.00 H ATOM 1776 N LEU B 71 -8.276 -3.827 0.857 1.00 9.78 N ATOM 1777 CA LEU B 71 -9.198 -3.403 -0.213 1.00 10.10 C ATOM 1778 C LEU B 71 -10.562 -3.883 0.198 1.00 10.19 C ATOM 1779 O LEU B 71 -10.716 -5.057 0.551 1.00 11.20 O ATOM 1780 CB LEU B 71 -8.808 -4.050 -1.544 1.00 11.01 C ATOM 1781 CG LEU B 71 -9.813 -4.070 -2.711 1.00 12.06 C ATOM 1782 CD1 LEU B 71 -10.147 -2.681 -3.162 1.00 13.39 C ATOM 1783 CD2 LEU B 71 -9.252 -4.825 -3.907 1.00 12.38 C ATOM 1784 H LEU B 71 -8.033 -4.835 0.944 1.00 0.00 H ATOM 1785 N LEU B 72 -11.528 -2.996 0.205 1.00 10.26 N ATOM 1786 CA LEU B 72 -12.846 -3.391 0.688 1.00 10.15 C ATOM 1787 C LEU B 72 -13.920 -3.007 -0.330 1.00 10.04 C ATOM 1788 O LEU B 72 -13.994 -1.878 -0.697 1.00 9.27 O ATOM 1789 CB LEU B 72 -13.146 -2.727 2.034 1.00 10.73 C ATOM 1790 CG LEU B 72 -14.327 -3.099 2.924 1.00 10.71 C ATOM 1791 CD1 LEU B 72 -14.187 -4.506 3.405 1.00 10.99 C ATOM 1792 CD2 LEU B 72 -14.349 -2.194 4.137 1.00 11.05 C ATOM 1793 H LEU B 72 -11.357 -2.026 -0.129 1.00 0.00 H ATOM 1794 N LEU B 73 -14.751 -3.974 -0.682 1.00 9.40 N ATOM 1795 CA LEU B 73 -15.806 -3.796 -1.665 1.00 10.40 C ATOM 1796 C LEU B 73 -17.138 -3.715 -0.935 1.00 11.44 C ATOM 1797 O LEU B 73 -17.431 -4.544 -0.072 1.00 11.06 O ATOM 1798 CB LEU B 73 -15.827 -4.980 -2.642 1.00 10.48 C ATOM 1799 CG LEU B 73 -14.538 -5.362 -3.352 1.00 10.05 C ATOM 1800 CD1 LEU B 73 -14.728 -6.535 -4.336 1.00 9.99 C ATOM 1801 CD2 LEU B 73 -13.968 -4.137 -4.077 1.00 10.45 C ATOM 1802 H LEU B 73 -14.644 -4.906 -0.234 1.00 0.00 H ATOM 1803 N ARG B 74 -17.940 -2.713 -1.293 1.00 11.88 N ATOM 1804 CA ARG B 74 -19.255 -2.567 -0.724 1.00 13.76 C ATOM 1805 C ARG B 74 -20.188 -3.497 -1.466 1.00 12.38 C ATOM 1806 O ARG B 74 -20.168 -3.556 -2.712 1.00 10.73 O ATOM 1807 CB ARG B 74 -19.711 -1.125 -0.917 1.00 17.82 C ATOM 1808 CG ARG B 74 -21.073 -0.871 -0.384 1.00 23.36 C ATOM 1809 CD ARG B 74 -21.081 -0.614 1.096 1.00 29.22 C ATOM 1810 NE ARG B 74 -22.125 0.362 1.324 1.00 36.85 N ATOM 1811 CZ ARG B 74 -23.427 0.141 1.125 1.00 43.60 C ATOM 1812 NH1 ARG B 74 -23.905 -1.057 0.725 1.00 44.33 N ATOM 1813 NH2 ARG B 74 -24.280 1.136 1.349 1.00 49.22 N ATOM 1814 HE ARG B 74 -21.841 1.302 1.667 1.00 0.00 H ATOM 1815 HH12 ARG B 74 -24.927 -1.188 0.581 1.00 0.00 H ATOM 1816 HH11 ARG B 74 -23.251 -1.849 0.561 1.00 0.00 H ATOM 1817 HH22 ARG B 74 -25.299 0.990 1.202 1.00 0.00 H ATOM 1818 HH21 ARG B 74 -23.928 2.060 1.671 1.00 0.00 H ATOM 1819 H ARG B 74 -17.610 -2.023 -1.997 1.00 0.00 H ATOM 1820 N THR B 75 -20.985 -4.240 -0.713 1.00 11.83 N ATOM 1821 CA THR B 75 -21.995 -5.131 -1.308 1.00 12.60 C ATOM 1822 C THR B 75 -23.346 -4.947 -0.633 1.00 12.80 C ATOM 1823 O THR B 75 -23.404 -4.712 0.558 1.00 12.50 O ATOM 1824 CB THR B 75 -21.579 -6.611 -1.281 1.00 12.28 C ATOM 1825 OG1 THR B 75 -22.628 -7.416 -1.828 1.00 11.54 O ATOM 1826 CG2 THR B 75 -21.239 -7.064 0.115 1.00 12.91 C ATOM 1827 HG1 THR B 75 -22.356 -8.368 -1.809 1.00 0.00 H ATOM 1828 H THR B 75 -20.895 -4.193 0.322 1.00 0.00 H ATOM 1829 N ASP B 76 -24.412 -5.100 -1.427 1.00 14.06 N ATOM 1830 CA ASP B 76 -25.784 -5.077 -0.927 1.00 15.33 C ATOM 1831 C ASP B 76 -26.188 -6.422 -0.332 1.00 14.57 C ATOM 1832 O ASP B 76 -27.220 -6.489 0.347 1.00 14.98 O ATOM 1833 CB ASP B 76 -26.754 -4.654 -2.066 1.00 17.17 C ATOM 1834 CG ASP B 76 -26.513 -3.195 -2.526 1.00 19.81 C ATOM 1835 OD1 ASP B 76 -26.079 -2.387 -1.693 1.00 21.36 O ATOM 1836 OD2 ASP B 76 -26.716 -2.883 -3.708 1.00 24.78 O ATOM 1837 H ASP B 76 -24.257 -5.242 -2.446 1.00 0.00 H ATOM 1838 N ASP B 77 -25.380 -7.471 -0.525 1.00 14.12 N ATOM 1839 CA ASP B 77 -25.719 -8.813 -0.045 1.00 13.01 C ATOM 1840 C ASP B 77 -24.486 -9.688 0.123 1.00 12.76 C ATOM 1841 O ASP B 77 -24.122 -10.509 -0.776 1.00 12.59 O ATOM 1842 CB ASP B 77 -26.691 -9.466 -1.030 1.00 12.96 C ATOM 1843 CG ASP B 77 -27.417 -10.668 -0.440 1.00 12.63 C ATOM 1844 OD1 ASP B 77 -27.006 -11.229 0.568 1.00 11.87 O ATOM 1845 OD2 ASP B 77 -28.396 -11.089 -1.067 1.00 13.44 O ATOM 1846 H ASP B 77 -24.483 -7.329 -1.032 1.00 0.00 H ATOM 1847 N VAL B 78 -23.813 -9.487 1.253 1.00 11.70 N ATOM 1848 CA VAL B 78 -22.571 -10.177 1.539 1.00 11.76 C ATOM 1849 C VAL B 78 -22.796 -11.688 1.650 1.00 12.07 C ATOM 1850 O VAL B 78 -22.003 -12.496 1.132 1.00 11.35 O ATOM 1851 CB VAL B 78 -21.894 -9.579 2.803 1.00 11.89 C ATOM 1852 CG1 VAL B 78 -22.705 -9.837 4.089 1.00 12.02 C ATOM 1853 CG2 VAL B 78 -20.487 -10.107 2.927 1.00 12.10 C ATOM 1854 H VAL B 78 -24.189 -8.815 1.952 1.00 0.00 H ATOM 1855 N ASP B 79 -23.892 -12.053 2.278 1.00 12.43 N ATOM 1856 CA ASP B 79 -24.179 -13.484 2.464 1.00 14.15 C ATOM 1857 C ASP B 79 -24.373 -14.217 1.134 1.00 14.17 C ATOM 1858 O ASP B 79 -23.823 -15.308 0.948 1.00 15.26 O ATOM 1859 CB ASP B 79 -25.401 -13.707 3.333 1.00 15.17 C ATOM 1860 CG ASP B 79 -25.191 -13.298 4.774 1.00 16.51 C ATOM 1861 OD1 ASP B 79 -24.043 -13.109 5.208 1.00 17.64 O ATOM 1862 OD2 ASP B 79 -26.217 -13.143 5.479 1.00 17.83 O ATOM 1863 H ASP B 79 -24.551 -11.335 2.641 1.00 0.00 H ATOM 1864 N ALA B 80 -25.141 -13.620 0.221 1.00 12.75 N ATOM 1865 CA ALA B 80 -25.364 -14.243 -1.083 1.00 13.28 C ATOM 1866 C ALA B 80 -24.087 -14.249 -1.888 1.00 12.96 C ATOM 1867 O ALA B 80 -23.782 -15.227 -2.562 1.00 13.17 O ATOM 1868 CB ALA B 80 -26.473 -13.562 -1.848 1.00 13.53 C ATOM 1869 H ALA B 80 -25.584 -12.705 0.438 1.00 0.00 H ATOM 1870 N ASP B 81 -23.337 -13.137 -1.828 1.00 12.53 N ATOM 1871 CA ASP B 81 -22.031 -13.042 -2.504 1.00 12.06 C ATOM 1872 C ASP B 81 -21.017 -14.103 -2.018 1.00 11.51 C ATOM 1873 O ASP B 81 -20.315 -14.725 -2.833 1.00 10.50 O ATOM 1874 CB ASP B 81 -21.452 -11.628 -2.288 1.00 12.78 C ATOM 1875 CG ASP B 81 -22.044 -10.581 -3.242 1.00 13.34 C ATOM 1876 OD1 ASP B 81 -22.806 -10.904 -4.188 1.00 12.41 O ATOM 1877 OD2 ASP B 81 -21.644 -9.416 -3.094 1.00 14.76 O ATOM 1878 H ASP B 81 -23.688 -12.320 -1.289 1.00 0.00 H ATOM 1879 N CYS B 82 -20.971 -14.359 -0.715 1.00 11.41 N ATOM 1880 CA CYS B 82 -20.068 -15.368 -0.201 1.00 12.17 C ATOM 1881 C CYS B 82 -20.443 -16.756 -0.708 1.00 12.67 C ATOM 1882 O CYS B 82 -19.562 -17.522 -1.074 1.00 12.71 O ATOM 1883 CB CYS B 82 -19.947 -15.350 1.319 1.00 13.39 C ATOM 1884 SG CYS B 82 -19.153 -13.819 1.906 1.00 16.02 S ATOM 1885 H CYS B 82 -21.586 -13.833 -0.062 1.00 0.00 H ATOM 1886 N ALA B 83 -21.734 -17.050 -0.748 1.00 13.13 N ATOM 1887 CA ALA B 83 -22.204 -18.373 -1.220 1.00 13.70 C ATOM 1888 C ALA B 83 -21.852 -18.531 -2.704 1.00 13.41 C ATOM 1889 O ALA B 83 -21.356 -19.574 -3.136 1.00 15.61 O ATOM 1890 CB ALA B 83 -23.715 -18.523 -0.978 1.00 13.12 C ATOM 1891 H ALA B 83 -22.430 -16.340 -0.443 1.00 0.00 H ATOM 1892 N ARG B 84 -22.041 -17.462 -3.463 1.00 13.93 N ATOM 1893 CA ARG B 84 -21.632 -17.431 -4.866 1.00 14.93 C ATOM 1894 C ARG B 84 -20.135 -17.690 -5.068 1.00 14.26 C ATOM 1895 O ARG B 84 -19.756 -18.548 -5.858 1.00 14.10 O ATOM 1896 CB ARG B 84 -22.055 -16.153 -5.567 1.00 15.36 C ATOM 1897 CG ARG B 84 -23.475 -16.172 -6.042 1.00 16.96 C ATOM 1898 CD ARG B 84 -23.825 -14.919 -6.825 1.00 18.37 C ATOM 1899 NE ARG B 84 -23.981 -13.716 -6.004 1.00 18.09 N ATOM 1900 CZ ARG B 84 -25.121 -13.297 -5.438 1.00 18.24 C ATOM 1901 NH1 ARG B 84 -26.252 -13.986 -5.579 1.00 19.28 N ATOM 1902 NH2 ARG B 84 -25.134 -12.170 -4.729 1.00 16.98 N ATOM 1903 HE ARG B 84 -23.132 -13.136 -5.847 1.00 0.00 H ATOM 1904 HH12 ARG B 84 -27.127 -13.646 -5.132 1.00 0.00 H ATOM 1905 HH11 ARG B 84 -26.260 -14.864 -6.136 1.00 0.00 H ATOM 1906 HH22 ARG B 84 -26.018 -11.843 -4.289 1.00 0.00 H ATOM 1907 HH21 ARG B 84 -24.261 -11.617 -4.615 1.00 0.00 H ATOM 1908 H ARG B 84 -22.493 -16.622 -3.049 1.00 0.00 H ATOM 1909 N LEU B 85 -19.309 -17.001 -4.296 1.00 13.10 N ATOM 1910 CA LEU B 85 -17.882 -17.237 -4.324 1.00 13.42 C ATOM 1911 C LEU B 85 -17.502 -18.686 -3.987 1.00 13.33 C ATOM 1912 O LEU B 85 -16.675 -19.288 -4.687 1.00 11.97 O ATOM 1913 CB LEU B 85 -17.151 -16.254 -3.416 1.00 14.23 C ATOM 1914 CG LEU B 85 -17.179 -14.815 -3.908 1.00 15.13 C ATOM 1915 CD1 LEU B 85 -16.620 -13.886 -2.838 1.00 15.38 C ATOM 1916 CD2 LEU B 85 -16.382 -14.613 -5.176 1.00 15.37 C ATOM 1917 H LEU B 85 -19.694 -16.276 -3.657 1.00 0.00 H ATOM 1918 N GLN B 86 -18.128 -19.249 -2.954 1.00 13.76 N ATOM 1919 CA GLN B 86 -17.844 -20.639 -2.566 1.00 14.76 C ATOM 1920 C GLN B 86 -18.208 -21.642 -3.660 1.00 14.44 C ATOM 1921 O GLN B 86 -17.461 -22.625 -3.906 1.00 14.49 O ATOM 1922 CB GLN B 86 -18.546 -20.977 -1.236 1.00 16.31 C ATOM 1923 CG GLN B 86 -17.895 -20.249 -0.084 1.00 18.54 C ATOM 1924 CD GLN B 86 -18.649 -20.419 1.223 1.00 19.92 C ATOM 1925 OE1 GLN B 86 -19.881 -20.491 1.233 1.00 22.46 O ATOM 1926 NE2 GLN B 86 -17.918 -20.492 2.327 1.00 20.29 N ATOM 1927 HE22 GLN B 86 -16.882 -20.426 2.270 1.00 0.00 H ATOM 1928 HE21 GLN B 86 -18.381 -20.615 3.250 1.00 0.00 H ATOM 1929 H GLN B 86 -18.827 -18.698 -2.415 1.00 0.00 H ATOM 1930 N GLU B 87 -19.330 -21.408 -4.317 1.00 14.07 N ATOM 1931 CA GLU B 87 -19.767 -22.245 -5.436 1.00 14.21 C ATOM 1932 C GLU B 87 -18.819 -22.177 -6.630 1.00 15.00 C ATOM 1933 O GLU B 87 -18.753 -23.113 -7.419 1.00 13.79 O ATOM 1934 CB GLU B 87 -21.169 -21.851 -5.863 1.00 13.43 C ATOM 1935 CG GLU B 87 -22.220 -22.158 -4.795 1.00 13.40 C ATOM 1936 CD GLU B 87 -23.477 -21.341 -4.997 1.00 12.63 C ATOM 1937 OE1 GLU B 87 -23.512 -20.602 -6.002 1.00 12.22 O ATOM 1938 OE2 GLU B 87 -24.407 -21.430 -4.181 1.00 11.56 O ATOM 1939 H GLU B 87 -19.922 -20.603 -4.030 1.00 0.00 H ATOM 1940 N ARG B 88 -18.083 -21.068 -6.735 1.00 15.85 N ATOM 1941 CA ARG B 88 -17.044 -20.889 -7.750 1.00 16.40 C ATOM 1942 C ARG B 88 -15.667 -21.332 -7.278 1.00 16.67 C ATOM 1943 O ARG B 88 -14.673 -21.058 -7.946 1.00 16.56 O ATOM 1944 CB ARG B 88 -17.055 -19.410 -8.208 1.00 17.96 C ATOM 1945 CG ARG B 88 -18.346 -18.994 -8.911 1.00 20.31 C ATOM 1946 CD ARG B 88 -18.729 -17.495 -8.725 1.00 22.67 C ATOM 1947 NE ARG B 88 -20.133 -17.232 -9.106 1.00 24.33 N ATOM 1948 CZ ARG B 88 -20.674 -16.065 -9.477 1.00 24.18 C ATOM 1949 NH1 ARG B 88 -21.956 -16.040 -9.806 1.00 23.79 N ATOM 1950 NH2 ARG B 88 -19.972 -14.925 -9.578 1.00 24.04 N ATOM 1951 HE ARG B 88 -20.776 -18.049 -9.083 1.00 0.00 H ATOM 1952 HH12 ARG B 88 -22.401 -15.146 -10.098 1.00 0.00 H ATOM 1953 HH11 ARG B 88 -22.519 -16.914 -9.773 1.00 0.00 H ATOM 1954 HH22 ARG B 88 -20.446 -14.047 -9.871 1.00 0.00 H ATOM 1955 HH21 ARG B 88 -18.954 -14.920 -9.363 1.00 0.00 H ATOM 1956 H ARG B 88 -18.256 -20.294 -6.063 1.00 0.00 H ATOM 1957 N GLY B 89 -15.586 -22.043 -6.148 1.00 15.07 N ATOM 1958 CA GLY B 89 -14.354 -22.573 -5.665 1.00 16.38 C ATOM 1959 C GLY B 89 -13.427 -21.636 -4.891 1.00 16.71 C ATOM 1960 O GLY B 89 -12.253 -21.973 -4.697 1.00 16.67 O ATOM 1961 H GLY B 89 -16.454 -22.216 -5.602 1.00 0.00 H ATOM 1962 N VAL B 90 -13.942 -20.501 -4.423 1.00 15.69 N ATOM 1963 CA VAL B 90 -13.157 -19.560 -3.610 1.00 15.66 C ATOM 1964 C VAL B 90 -13.312 -19.835 -2.096 1.00 15.74 C ATOM 1965 O VAL B 90 -14.415 -19.989 -1.582 1.00 15.88 O ATOM 1966 CB VAL B 90 -13.581 -18.111 -3.940 1.00 15.58 C ATOM 1967 CG1 VAL B 90 -12.779 -17.073 -3.151 1.00 15.31 C ATOM 1968 CG2 VAL B 90 -13.455 -17.863 -5.422 1.00 15.94 C ATOM 1969 H VAL B 90 -14.933 -20.272 -4.640 1.00 0.00 H ATOM 1970 N ALA B 91 -12.193 -19.853 -1.386 1.00 15.07 N ATOM 1971 CA ALA B 91 -12.196 -20.020 0.053 1.00 16.20 C ATOM 1972 C ALA B 91 -12.554 -18.650 0.640 1.00 15.88 C ATOM 1973 O ALA B 91 -11.853 -17.697 0.405 1.00 16.43 O ATOM 1974 CB ALA B 91 -10.846 -20.475 0.557 1.00 16.83 C ATOM 1975 H ALA B 91 -11.283 -19.744 -1.878 1.00 0.00 H ATOM 1976 N VAL B 92 -13.658 -18.573 1.345 1.00 15.06 N ATOM 1977 CA VAL B 92 -14.085 -17.327 1.967 1.00 16.67 C ATOM 1978 C VAL B 92 -13.922 -17.470 3.460 1.00 19.01 C ATOM 1979 O VAL B 92 -14.191 -18.510 4.037 1.00 18.80 O ATOM 1980 CB VAL B 92 -15.548 -17.002 1.602 1.00 17.63 C ATOM 1981 CG1 VAL B 92 -16.067 -15.769 2.341 1.00 17.59 C ATOM 1982 CG2 VAL B 92 -15.656 -16.810 0.105 1.00 19.94 C ATOM 1983 H VAL B 92 -14.244 -19.424 1.463 1.00 0.00 H ATOM 1984 N ASP B 93 -13.485 -16.389 4.079 1.00 19.55 N ATOM 1985 CA ASP B 93 -13.394 -16.255 5.500 1.00 21.32 C ATOM 1986 C ASP B 93 -14.521 -15.309 5.928 1.00 21.40 C ATOM 1987 O ASP B 93 -14.503 -14.122 5.589 1.00 19.16 O ATOM 1988 CB ASP B 93 -12.023 -15.660 5.802 1.00 23.99 C ATOM 1989 CG ASP B 93 -11.740 -15.529 7.279 1.00 28.96 C ATOM 1990 OD1 ASP B 93 -12.617 -15.812 8.130 1.00 33.84 O ATOM 1991 OD2 ASP B 93 -10.602 -15.128 7.581 1.00 34.08 O ATOM 1992 H ASP B 93 -13.187 -15.582 3.495 1.00 0.00 H ATOM 1993 N GLY B 94 -15.490 -15.843 6.674 1.00 18.56 N ATOM 1994 CA GLY B 94 -16.663 -15.107 7.074 1.00 18.90 C ATOM 1995 C GLY B 94 -17.885 -15.606 6.333 1.00 18.76 C ATOM 1996 O GLY B 94 -17.860 -16.704 5.785 1.00 17.53 O ATOM 1997 H GLY B 94 -15.395 -16.832 6.980 1.00 0.00 H ATOM 1998 N PRO B 95 -18.952 -14.819 6.277 1.00 17.76 N ATOM 1999 CA PRO B 95 -19.017 -13.475 6.851 1.00 17.42 C ATOM 2000 C PRO B 95 -19.082 -13.438 8.382 1.00 19.05 C ATOM 2001 O PRO B 95 -19.487 -14.441 8.991 1.00 16.71 O ATOM 2002 CB PRO B 95 -20.271 -12.886 6.258 1.00 16.79 C ATOM 2003 CG PRO B 95 -20.874 -13.909 5.367 1.00 17.91 C ATOM 2004 CD PRO B 95 -20.119 -15.173 5.471 1.00 16.98 C ATOM 2005 N LYS B 96 -18.619 -12.318 8.955 1.00 20.58 N ATOM 2006 CA LYS B 96 -18.643 -12.028 10.406 1.00 22.43 C ATOM 2007 C LYS B 96 -19.243 -10.658 10.587 1.00 20.75 C ATOM 2008 O LYS B 96 -18.922 -9.738 9.829 1.00 16.59 O ATOM 2009 CB LYS B 96 -17.241 -11.920 11.048 1.00 27.66 C ATOM 2010 CG LYS B 96 -16.207 -12.983 10.708 1.00 35.31 C ATOM 2011 CD LYS B 96 -16.666 -14.411 10.964 1.00 40.51 C ATOM 2012 CE LYS B 96 -16.961 -14.739 12.428 1.00 44.18 C ATOM 2013 NZ LYS B 96 -17.961 -15.845 12.474 1.00 47.20 N ATOM 2014 HZ1 LYS B 96 -18.833 -15.542 11.995 1.00 0.00 H ATOM 2015 HZ2 LYS B 96 -17.573 -16.682 11.994 1.00 0.00 H ATOM 2016 HZ3 LYS B 96 -18.172 -16.079 13.465 1.00 0.00 H ATOM 2017 H LYS B 96 -18.210 -11.595 8.330 1.00 0.00 H ATOM 2018 N ASN B 97 -20.042 -10.488 11.637 1.00 19.86 N ATOM 2019 CA ASN B 97 -20.494 -9.159 12.017 1.00 20.55 C ATOM 2020 C ASN B 97 -19.353 -8.378 12.651 1.00 19.29 C ATOM 2021 O ASN B 97 -18.579 -8.913 13.451 1.00 19.79 O ATOM 2022 CB ASN B 97 -21.716 -9.229 12.938 1.00 21.15 C ATOM 2023 CG ASN B 97 -22.892 -9.886 12.245 1.00 22.47 C ATOM 2024 OD1 ASN B 97 -23.159 -9.606 11.081 1.00 20.97 O ATOM 2025 ND2 ASN B 97 -23.561 -10.809 12.932 1.00 23.46 N ATOM 2026 HD22 ASN B 97 -23.300 -11.014 13.918 1.00 0.00 H ATOM 2027 HD21 ASN B 97 -24.345 -11.325 12.483 1.00 0.00 H ATOM 2028 H ASN B 97 -20.346 -11.314 12.191 1.00 0.00 H ATOM 2029 N THR B 98 -19.217 -7.131 12.224 1.00 19.54 N ATOM 2030 CA THR B 98 -18.206 -6.223 12.797 1.00 20.32 C ATOM 2031 C THR B 98 -18.943 -4.972 13.230 1.00 20.91 C ATOM 2032 O THR B 98 -20.080 -4.757 12.806 1.00 19.81 O ATOM 2033 CB THR B 98 -17.133 -5.822 11.763 1.00 19.74 C ATOM 2034 OG1 THR B 98 -17.653 -4.821 10.867 1.00 17.59 O ATOM 2035 CG2 THR B 98 -16.647 -7.035 11.004 1.00 20.15 C ATOM 2036 HG1 THR B 98 -18.442 -5.183 10.391 1.00 0.00 H ATOM 2037 H THR B 98 -19.839 -6.784 11.466 1.00 0.00 H ATOM 2038 N PRO B 99 -18.270 -4.091 13.988 1.00 20.58 N ATOM 2039 CA PRO B 99 -18.876 -2.793 14.265 1.00 21.42 C ATOM 2040 C PRO B 99 -19.174 -1.914 13.030 1.00 22.67 C ATOM 2041 O PRO B 99 -19.914 -0.938 13.162 1.00 22.50 O ATOM 2042 CB PRO B 99 -17.848 -2.106 15.182 1.00 21.90 C ATOM 2043 CG PRO B 99 -16.952 -3.187 15.682 1.00 22.00 C ATOM 2044 CD PRO B 99 -16.925 -4.213 14.587 1.00 22.54 C ATOM 2045 N TRP B 100 -18.597 -2.225 11.861 1.00 22.26 N ATOM 2046 CA TRP B 100 -18.766 -1.374 10.676 1.00 23.66 C ATOM 2047 C TRP B 100 -19.457 -2.065 9.523 1.00 22.75 C ATOM 2048 O TRP B 100 -19.275 -1.656 8.366 1.00 24.94 O ATOM 2049 CB TRP B 100 -17.400 -0.824 10.238 1.00 25.51 C ATOM 2050 CG TRP B 100 -16.625 -0.271 11.422 1.00 27.85 C ATOM 2051 CD1 TRP B 100 -16.814 0.933 12.063 1.00 28.24 C ATOM 2052 CD2 TRP B 100 -15.571 -0.928 12.108 1.00 29.86 C ATOM 2053 NE1 TRP B 100 -15.922 1.065 13.094 1.00 28.60 N ATOM 2054 CE2 TRP B 100 -15.150 -0.068 13.147 1.00 29.91 C ATOM 2055 CE3 TRP B 100 -14.935 -2.164 11.942 1.00 29.70 C ATOM 2056 CZ2 TRP B 100 -14.124 -0.405 14.012 1.00 32.09 C ATOM 2057 CZ3 TRP B 100 -13.919 -2.501 12.796 1.00 34.35 C ATOM 2058 CH2 TRP B 100 -13.520 -1.624 13.832 1.00 33.03 C ATOM 2059 HE1 TRP B 100 -15.843 1.885 13.729 1.00 0.00 H ATOM 2060 H TRP B 100 -18.018 -3.086 11.792 1.00 0.00 H ATOM 2061 N GLY B 101 -20.274 -3.068 9.839 1.00 20.95 N ATOM 2062 CA GLY B 101 -20.940 -3.881 8.835 1.00 19.33 C ATOM 2063 C GLY B 101 -20.560 -5.349 8.905 1.00 18.07 C ATOM 2064 O GLY B 101 -19.653 -5.745 9.635 1.00 19.05 O ATOM 2065 H GLY B 101 -20.442 -3.278 10.844 1.00 0.00 H ATOM 2066 N ARG B 102 -21.242 -6.140 8.092 1.00 15.25 N ATOM 2067 CA ARG B 102 -21.003 -7.560 7.994 1.00 14.63 C ATOM 2068 C ARG B 102 -19.995 -7.811 6.835 1.00 13.64 C ATOM 2069 O ARG B 102 -20.256 -7.425 5.681 1.00 12.06 O ATOM 2070 CB ARG B 102 -22.322 -8.269 7.762 1.00 14.90 C ATOM 2071 CG ARG B 102 -22.271 -9.773 7.793 1.00 16.07 C ATOM 2072 CD ARG B 102 -23.690 -10.327 7.758 1.00 16.79 C ATOM 2073 NE ARG B 102 -23.676 -11.759 7.556 1.00 17.36 N ATOM 2074 CZ ARG B 102 -23.417 -12.679 8.480 1.00 19.74 C ATOM 2075 NH1 ARG B 102 -23.184 -12.356 9.754 1.00 20.65 N ATOM 2076 NH2 ARG B 102 -23.417 -13.958 8.127 1.00 20.48 N ATOM 2077 HE ARG B 102 -23.889 -12.101 6.597 1.00 0.00 H ATOM 2078 HH12 ARG B 102 -22.985 -13.101 10.451 1.00 0.00 H ATOM 2079 HH11 ARG B 102 -23.202 -11.359 10.049 1.00 0.00 H ATOM 2080 HH22 ARG B 102 -23.217 -14.693 8.835 1.00 0.00 H ATOM 2081 HH21 ARG B 102 -23.617 -14.226 7.142 1.00 0.00 H ATOM 2082 H ARG B 102 -21.984 -5.719 7.497 1.00 0.00 H ATOM 2083 N GLN B 103 -18.878 -8.472 7.164 1.00 13.16 N ATOM 2084 CA GLN B 103 -17.719 -8.514 6.286 1.00 14.84 C ATOM 2085 C GLN B 103 -17.218 -9.898 6.090 1.00 14.36 C ATOM 2086 O GLN B 103 -17.412 -10.777 6.954 1.00 15.06 O ATOM 2087 CB GLN B 103 -16.557 -7.665 6.841 1.00 16.53 C ATOM 2088 CG GLN B 103 -16.959 -6.221 7.082 1.00 20.14 C ATOM 2089 CD GLN B 103 -15.829 -5.263 7.481 1.00 21.44 C ATOM 2090 OE1 GLN B 103 -16.091 -4.085 7.787 1.00 26.45 O ATOM 2091 NE2 GLN B 103 -14.615 -5.731 7.476 1.00 21.91 N ATOM 2092 HE22 GLN B 103 -14.441 -6.722 7.214 1.00 0.00 H ATOM 2093 HE21 GLN B 103 -13.819 -5.114 7.734 1.00 0.00 H ATOM 2094 H GLN B 103 -18.838 -8.971 8.076 1.00 0.00 H ATOM 2095 N ALA B 104 -16.597 -10.100 4.937 1.00 12.81 N ATOM 2096 CA ALA B 104 -15.930 -11.353 4.613 1.00 13.05 C ATOM 2097 C ALA B 104 -14.669 -11.017 3.864 1.00 13.76 C ATOM 2098 O ALA B 104 -14.520 -9.905 3.350 1.00 13.36 O ATOM 2099 CB ALA B 104 -16.849 -12.247 3.757 1.00 12.78 C ATOM 2100 H ALA B 104 -16.586 -9.333 4.235 1.00 0.00 H ATOM 2101 N MET B 105 -13.766 -11.970 3.760 1.00 13.98 N ATOM 2102 CA MET B 105 -12.585 -11.748 2.933 1.00 16.02 C ATOM 2103 C MET B 105 -12.287 -12.982 2.138 1.00 14.68 C ATOM 2104 O MET B 105 -12.621 -14.117 2.548 1.00 13.08 O ATOM 2105 CB MET B 105 -11.329 -11.466 3.771 1.00 20.16 C ATOM 2106 CG MET B 105 -11.464 -10.657 5.052 1.00 25.82 C ATOM 2107 SD MET B 105 -9.823 -10.411 5.834 1.00 32.79 S ATOM 2108 CE MET B 105 -8.818 -11.769 5.286 1.00 29.48 C ATOM 2109 H MET B 105 -13.894 -12.872 4.262 1.00 0.00 H ATOM 2110 N PHE B 106 -11.579 -12.752 1.039 1.00 12.78 N ATOM 2111 CA PHE B 106 -11.082 -13.813 0.192 1.00 12.37 C ATOM 2112 C PHE B 106 -9.899 -13.341 -0.614 1.00 12.07 C ATOM 2113 O PHE B 106 -9.619 -12.115 -0.640 1.00 12.11 O ATOM 2114 CB PHE B 106 -12.187 -14.314 -0.722 1.00 12.32 C ATOM 2115 CG PHE B 106 -12.676 -13.291 -1.722 1.00 12.47 C ATOM 2116 CD1 PHE B 106 -13.621 -12.346 -1.365 1.00 11.42 C ATOM 2117 CD2 PHE B 106 -12.232 -13.341 -3.040 1.00 11.61 C ATOM 2118 CE1 PHE B 106 -14.082 -11.441 -2.273 1.00 11.14 C ATOM 2119 CE2 PHE B 106 -12.675 -12.421 -3.954 1.00 11.33 C ATOM 2120 CZ PHE B 106 -13.589 -11.468 -3.574 1.00 11.85 C ATOM 2121 H PHE B 106 -11.373 -11.767 0.776 1.00 0.00 H ATOM 2122 N SER B 107 -9.200 -14.292 -1.254 1.00 11.43 N ATOM 2123 CA SER B 107 -8.021 -13.942 -2.053 1.00 11.68 C ATOM 2124 C SER B 107 -8.193 -14.155 -3.538 1.00 11.87 C ATOM 2125 O SER B 107 -8.934 -15.070 -3.966 1.00 11.41 O ATOM 2126 CB SER B 107 -6.786 -14.688 -1.566 1.00 12.48 C ATOM 2127 OG SER B 107 -6.581 -14.438 -0.182 1.00 12.65 O ATOM 2128 HG SER B 107 -5.777 -14.927 0.125 1.00 0.00 H ATOM 2129 H SER B 107 -9.497 -15.286 -1.183 1.00 0.00 H ATOM 2130 N ASP B 108 -7.514 -13.315 -4.310 1.00 11.66 N ATOM 2131 CA ASP B 108 -7.437 -13.496 -5.773 1.00 11.68 C ATOM 2132 C ASP B 108 -6.378 -14.551 -6.097 1.00 11.48 C ATOM 2133 O ASP B 108 -5.723 -15.080 -5.194 1.00 11.09 O ATOM 2134 CB ASP B 108 -7.319 -12.174 -6.544 1.00 11.11 C ATOM 2135 CG ASP B 108 -5.914 -11.613 -6.596 1.00 11.02 C ATOM 2136 OD1 ASP B 108 -4.991 -12.163 -5.967 1.00 10.32 O ATOM 2137 OD2 ASP B 108 -5.765 -10.572 -7.272 1.00 11.36 O ATOM 2138 H ASP B 108 -7.024 -12.509 -3.873 1.00 0.00 H ATOM 2139 N PRO B 109 -6.222 -14.894 -7.370 1.00 12.56 N ATOM 2140 CA PRO B 109 -5.272 -15.999 -7.686 1.00 12.55 C ATOM 2141 C PRO B 109 -3.819 -15.777 -7.272 1.00 12.73 C ATOM 2142 O PRO B 109 -3.097 -16.759 -7.016 1.00 13.08 O ATOM 2143 CB PRO B 109 -5.423 -16.140 -9.194 1.00 13.28 C ATOM 2144 CG PRO B 109 -6.824 -15.686 -9.448 1.00 12.92 C ATOM 2145 CD PRO B 109 -7.043 -14.540 -8.529 1.00 12.66 C ATOM 2146 N ASP B 110 -3.402 -14.504 -7.156 1.00 12.02 N ATOM 2147 CA ASP B 110 -2.063 -14.143 -6.707 1.00 12.31 C ATOM 2148 C ASP B 110 -1.867 -13.990 -5.198 1.00 11.48 C ATOM 2149 O ASP B 110 -0.726 -13.926 -4.740 1.00 11.75 O ATOM 2150 CB ASP B 110 -1.622 -12.860 -7.445 1.00 13.25 C ATOM 2151 CG ASP B 110 -1.249 -13.129 -8.874 1.00 14.52 C ATOM 2152 OD1 ASP B 110 -0.258 -13.864 -9.065 1.00 15.34 O ATOM 2153 OD2 ASP B 110 -1.906 -12.622 -9.807 1.00 13.70 O ATOM 2154 H ASP B 110 -4.066 -13.741 -7.398 1.00 0.00 H ATOM 2155 N GLY B 111 -2.941 -13.939 -4.414 1.00 10.22 N ATOM 2156 CA GLY B 111 -2.877 -13.757 -2.985 1.00 10.31 C ATOM 2157 C GLY B 111 -3.256 -12.359 -2.529 1.00 10.04 C ATOM 2158 O GLY B 111 -3.269 -12.086 -1.332 1.00 10.04 O ATOM 2159 H GLY B 111 -3.877 -14.036 -4.856 1.00 0.00 H ATOM 2160 N ASN B 112 -3.613 -11.459 -3.460 1.00 10.09 N ATOM 2161 CA ASN B 112 -4.190 -10.167 -3.025 1.00 10.20 C ATOM 2162 C ASN B 112 -5.459 -10.443 -2.254 1.00 10.24 C ATOM 2163 O ASN B 112 -6.276 -11.320 -2.643 1.00 9.87 O ATOM 2164 CB ASN B 112 -4.499 -9.271 -4.195 1.00 10.05 C ATOM 2165 CG ASN B 112 -3.270 -8.930 -5.013 1.00 10.15 C ATOM 2166 OD1 ASN B 112 -2.272 -8.383 -4.505 1.00 10.20 O ATOM 2167 ND2 ASN B 112 -3.333 -9.225 -6.290 1.00 9.63 N ATOM 2168 HD22 ASN B 112 -4.184 -9.682 -6.677 1.00 0.00 H ATOM 2169 HD21 ASN B 112 -2.532 -9.002 -6.915 1.00 0.00 H ATOM 2170 H ASN B 112 -3.486 -11.667 -4.471 1.00 0.00 H ATOM 2171 N VAL B 113 -5.627 -9.756 -1.129 1.00 10.30 N ATOM 2172 CA VAL B 113 -6.777 -9.996 -0.214 1.00 10.57 C ATOM 2173 C VAL B 113 -7.865 -8.970 -0.480 1.00 11.20 C ATOM 2174 O VAL B 113 -7.610 -7.771 -0.461 1.00 10.99 O ATOM 2175 CB VAL B 113 -6.350 -10.007 1.257 1.00 10.96 C ATOM 2176 CG1 VAL B 113 -7.543 -10.211 2.190 1.00 11.16 C ATOM 2177 CG2 VAL B 113 -5.326 -11.125 1.450 1.00 10.91 C ATOM 2178 H VAL B 113 -4.931 -9.025 -0.879 1.00 0.00 H ATOM 2179 N ILE B 114 -9.055 -9.473 -0.789 1.00 10.94 N ATOM 2180 CA ILE B 114 -10.242 -8.663 -1.061 1.00 10.97 C ATOM 2181 C ILE B 114 -11.252 -8.857 0.071 1.00 10.70 C ATOM 2182 O ILE B 114 -11.595 -10.007 0.434 1.00 11.18 O ATOM 2183 CB ILE B 114 -10.884 -9.069 -2.385 1.00 11.04 C ATOM 2184 CG1 ILE B 114 -9.828 -9.036 -3.503 1.00 11.57 C ATOM 2185 CG2 ILE B 114 -12.077 -8.167 -2.716 1.00 11.37 C ATOM 2186 CD1 ILE B 114 -10.243 -9.764 -4.765 1.00 11.97 C ATOM 2187 H ILE B 114 -9.148 -10.507 -0.841 1.00 0.00 H ATOM 2188 N GLY B 115 -11.792 -7.741 0.546 1.00 9.84 N ATOM 2189 CA GLY B 115 -12.820 -7.711 1.545 1.00 9.70 C ATOM 2190 C GLY B 115 -14.161 -7.356 0.926 1.00 9.85 C ATOM 2191 O GLY B 115 -14.221 -6.637 -0.076 1.00 8.45 O ATOM 2192 H GLY B 115 -11.449 -6.834 0.171 1.00 0.00 H ATOM 2193 N LEU B 116 -15.231 -7.889 1.523 1.00 10.14 N ATOM 2194 CA LEU B 116 -16.601 -7.510 1.205 1.00 10.77 C ATOM 2195 C LEU B 116 -17.226 -6.935 2.480 1.00 11.29 C ATOM 2196 O LEU B 116 -16.947 -7.433 3.579 1.00 11.10 O ATOM 2197 CB LEU B 116 -17.445 -8.712 0.748 1.00 11.49 C ATOM 2198 CG LEU B 116 -16.976 -9.567 -0.411 1.00 11.74 C ATOM 2199 CD1 LEU B 116 -17.854 -10.805 -0.562 1.00 12.54 C ATOM 2200 CD2 LEU B 116 -16.909 -8.735 -1.655 1.00 12.63 C ATOM 2201 H LEU B 116 -15.077 -8.613 2.254 1.00 0.00 H ATOM 2202 N ASN B 117 -18.028 -5.888 2.318 1.00 10.94 N ATOM 2203 CA ASN B 117 -18.702 -5.239 3.428 1.00 13.28 C ATOM 2204 C ASN B 117 -20.109 -4.827 3.043 1.00 13.00 C ATOM 2205 O ASN B 117 -20.314 -4.069 2.094 1.00 11.85 O ATOM 2206 CB ASN B 117 -17.942 -3.984 3.893 1.00 14.41 C ATOM 2207 CG ASN B 117 -18.509 -3.392 5.192 1.00 17.10 C ATOM 2208 OD1 ASN B 117 -19.040 -4.096 6.077 1.00 20.55 O ATOM 2209 ND2 ASN B 117 -18.380 -2.101 5.320 1.00 18.15 N ATOM 2210 HD22 ASN B 117 -17.933 -1.546 4.563 1.00 0.00 H ATOM 2211 HD21 ASN B 117 -18.724 -1.627 6.179 1.00 0.00 H ATOM 2212 H ASN B 117 -18.179 -5.519 1.358 1.00 0.00 H ATOM 2213 N GLN B 118 -21.054 -5.279 3.846 1.00 15.19 N ATOM 2214 CA GLN B 118 -22.440 -4.845 3.764 1.00 16.67 C ATOM 2215 C GLN B 118 -22.738 -4.055 5.055 1.00 19.13 C ATOM 2216 O GLN B 118 -22.841 -4.634 6.113 1.00 15.12 O ATOM 2217 CB GLN B 118 -23.359 -6.067 3.641 1.00 16.97 C ATOM 2218 CG GLN B 118 -24.838 -5.672 3.580 1.00 17.51 C ATOM 2219 CD GLN B 118 -25.789 -6.865 3.469 1.00 19.46 C ATOM 2220 OE1 GLN B 118 -25.414 -7.963 3.087 1.00 17.75 O ATOM 2221 NE2 GLN B 118 -27.052 -6.626 3.815 1.00 22.05 N ATOM 2222 HE22 GLN B 118 -27.333 -5.677 4.135 1.00 0.00 H ATOM 2223 HE21 GLN B 118 -27.758 -7.388 3.765 1.00 0.00 H ATOM 2224 H GLN B 118 -20.796 -5.978 4.571 1.00 0.00 H ATOM 2225 N PRO B 119 -22.861 -2.723 4.975 1.00 24.60 N ATOM 2226 CA PRO B 119 -23.108 -1.967 6.222 1.00 28.96 C ATOM 2227 C PRO B 119 -24.380 -2.378 6.911 1.00 30.97 C ATOM 2228 O PRO B 119 -25.303 -2.803 6.238 1.00 31.34 O ATOM 2229 CB PRO B 119 -23.191 -0.516 5.740 1.00 29.76 C ATOM 2230 CG PRO B 119 -22.239 -0.502 4.585 1.00 29.60 C ATOM 2231 CD PRO B 119 -22.397 -1.842 3.900 1.00 27.95 C ATOM 2232 N SER B 120 -24.408 -2.255 8.240 1.00 35.18 N ATOM 2233 CA SER B 120 -25.470 -2.864 9.097 1.00 43.78 C ATOM 2234 C SER B 120 -26.722 -2.010 9.334 1.00 41.47 C ATOM 2235 O SER B 120 -27.158 -1.268 8.454 1.00 43.94 O ATOM 2236 CB SER B 120 -24.881 -3.298 10.463 1.00 46.01 C ATOM 2237 OG SER B 120 -24.417 -4.644 10.412 1.00 49.39 O ATOM 2238 HG SER B 120 -24.046 -4.898 11.294 1.00 0.00 H ATOM 2239 H SER B 120 -23.653 -1.708 8.702 1.00 0.00 H TER 2240 SER B 120 HETATM 2241 O HOH 1 3.957 3.494 11.196 1.00 24.66 O HETATM 2242 O HOH 2 -23.689 -1.512 -1.968 1.00 30.66 O HETATM 2243 O HOH 3 -4.347 14.747 14.359 1.00 31.51 O HETATM 2244 O HOH 4 9.393 1.673 2.649 1.00 32.88 O HETATM 2245 O HOH 5 5.616 -6.856 -0.899 1.00 18.69 O HETATM 2246 O HOH 6 -6.274 0.710 17.817 1.00 32.71 O HETATM 2247 O HOH 7 -10.613 11.757 15.722 1.00 32.46 O HETATM 2248 O HOH 8 -15.793 5.285 1.316 1.00 10.51 O HETATM 2249 O HOH 9 6.265 15.073 -5.552 1.00 12.15 O HETATM 2250 O HOH 10 -22.193 0.870 -8.945 1.00 21.78 O HETATM 2251 O HOH 11 -18.858 4.262 -0.170 1.00 23.83 O HETATM 2252 O HOH 12 -20.649 9.271 -1.847 1.00 18.52 O HETATM 2253 O HOH 13 0.803 22.056 2.308 1.00 34.25 O HETATM 2254 O HOH 14 -0.407 24.171 -14.087 1.00 36.46 O HETATM 2255 O HOH 15 -9.720 18.910 4.020 1.00 29.19 O HETATM 2256 O HOH 16 2.042 27.517 -8.415 1.00 20.17 O HETATM 2257 O HOH 17 3.749 29.346 -2.345 1.00 28.51 O HETATM 2258 O HOH 18 -6.475 21.982 -16.694 1.00 31.15 O HETATM 2259 O HOH 19 4.245 20.509 -18.315 1.00 39.16 O HETATM 2260 O HOH 20 -12.888 8.263 -4.819 1.00 8.50 O HETATM 2261 O HOH 21 0.339 6.867 -9.444 1.00 17.03 O HETATM 2262 O HOH 22 4.623 9.541 6.487 1.00 20.19 O HETATM 2263 O HOH 23 -13.718 14.456 10.155 1.00 26.00 O HETATM 2264 O HOH 24 8.774 7.676 8.973 1.00 20.87 O HETATM 2265 O HOH 25 -19.028 4.619 -7.275 1.00 11.29 O HETATM 2266 O HOH 26 1.829 18.287 4.047 1.00 22.76 O HETATM 2267 O HOH 27 4.671 13.794 12.355 1.00 37.20 O HETATM 2268 O HOH 28 -13.320 9.444 13.457 1.00 27.55 O HETATM 2269 O HOH 29 -2.896 23.665 1.723 1.00 29.87 O HETATM 2270 O HOH 30 -8.009 16.804 -20.962 1.00 28.08 O HETATM 2271 O HOH 31 -8.520 20.255 7.696 1.00 38.81 O HETATM 2272 O HOH 32 -15.672 6.572 7.347 1.00 21.94 O HETATM 2273 O HOH 33 8.239 8.123 -5.120 1.00 25.66 O HETATM 2274 O HOH 34 -14.657 16.484 -4.370 1.00 17.45 O HETATM 2275 O HOH 35 -12.471 16.356 -18.123 1.00 34.32 O HETATM 2276 O HOH 36 -2.672 26.766 -2.611 1.00 30.18 O HETATM 2277 O HOH 37 -20.024 10.831 -5.554 1.00 34.28 O HETATM 2278 O HOH 38 -11.946 17.190 -0.784 1.00 28.44 O HETATM 2279 O HOH 39 -6.535 22.110 1.839 1.00 29.78 O HETATM 2280 O HOH 40 2.450 7.020 12.701 1.00 20.85 O HETATM 2281 O HOH 41 -16.446 4.007 -6.773 1.00 7.86 O HETATM 2282 O HOH 42 -17.112 7.553 0.860 1.00 13.28 O HETATM 2283 O HOH 43 -21.458 -6.710 -8.908 1.00 23.38 O HETATM 2284 O HOH 44 2.762 9.330 3.321 1.00 10.38 O HETATM 2285 O HOH 45 4.353 0.041 7.765 1.00 19.27 O HETATM 2286 O HOH 46 -5.449 3.748 8.877 1.00 18.44 O HETATM 2287 O HOH 47 -3.760 -0.556 -2.335 1.00 14.05 O HETATM 2288 O HOH 48 -22.600 -3.162 -9.405 1.00 26.72 O HETATM 2289 O HOH 49 -0.212 8.083 14.607 1.00 27.49 O HETATM 2290 O HOH 50 1.855 -1.174 -1.962 1.00 21.34 O HETATM 2291 O HOH 51 -25.919 -6.667 -8.438 1.00 46.27 O HETATM 2292 O HOH 52 -2.749 2.002 -6.854 1.00 8.04 O HETATM 2293 O HOH 53 -1.481 2.519 13.183 1.00 22.51 O HETATM 2294 O HOH 54 6.805 -3.828 5.172 1.00 34.43 O HETATM 2295 O HOH 55 3.079 1.132 5.798 1.00 15.18 O HETATM 2296 O HOH 56 2.317 5.460 -10.536 1.00 15.48 O HETATM 2297 O HOH 57 -22.562 2.571 -5.529 1.00 36.74 O HETATM 2298 O HOH 58 -18.417 17.072 -3.549 1.00 33.42 O HETATM 2299 O HOH 59 -8.812 17.107 -2.910 1.00 26.30 O HETATM 2300 O HOH 60 -16.760 12.299 8.647 1.00 22.07 O HETATM 2301 O HOH 61 9.081 4.072 -2.872 1.00 26.07 O HETATM 2302 O HOH 62 4.582 -2.383 6.031 1.00 22.44 O HETATM 2303 O HOH 63 5.733 27.512 -5.286 1.00 25.16 O HETATM 2304 O HOH 64 3.603 10.736 14.315 1.00 30.12 O HETATM 2305 O HOH 65 -11.231 18.133 -20.418 1.00 32.44 O HETATM 2306 O HOH 66 2.855 16.355 5.756 1.00 27.65 O HETATM 2307 O HOH 67 -9.854 24.910 -9.798 1.00 24.97 O HETATM 2308 O HOH 68 1.406 -1.207 5.443 1.00 12.60 O HETATM 2309 O HOH 69 -7.383 22.100 -1.006 1.00 18.36 O HETATM 2310 O HOH 70 2.519 16.666 9.861 1.00 41.32 O HETATM 2311 O HOH 71 -13.488 20.213 3.390 1.00 26.70 O HETATM 2312 O HOH 72 -11.474 17.484 6.459 1.00 12.88 O HETATM 2313 O HOH 73 9.150 9.825 4.990 1.00 27.26 O HETATM 2314 O HOH 74 7.167 15.084 -9.038 1.00 31.32 O HETATM 2315 O HOH 75 -4.310 27.387 -8.892 1.00 28.71 O HETATM 2316 O HOH 76 -16.497 4.309 3.663 1.00 22.29 O HETATM 2317 O HOH 77 -2.066 16.855 -27.490 1.00 33.00 O HETATM 2318 O HOH 78 -21.628 -12.406 -11.272 1.00 31.01 O HETATM 2319 O HOH 79 1.529 27.589 0.800 1.00 25.40 O HETATM 2320 O HOH 80 -6.618 -7.873 7.691 1.00 39.18 O HETATM 2321 O HOH 81 6.305 11.448 -8.004 1.00 31.46 O HETATM 2322 O HOH 82 7.087 10.305 6.991 1.00 28.41 O HETATM 2323 O HOH 83 3.866 -3.761 8.793 1.00 34.43 O HETATM 2324 O HOH 84 9.037 14.449 -5.881 1.00 27.76 O HETATM 2325 O HOH 85 9.276 17.073 -10.797 1.00 35.07 O HETATM 2326 O HOH 86 3.455 29.048 -6.754 1.00 24.60 O HETATM 2327 O HOH 87 -21.347 3.056 -7.669 1.00 20.16 O HETATM 2328 O HOH 88 -5.778 5.532 17.279 1.00 35.76 O HETATM 2329 O HOH 89 4.956 22.275 -10.841 1.00 30.81 O HETATM 2330 O HOH 90 -19.447 2.470 10.555 1.00 33.96 O HETATM 2331 O HOH 91 -7.769 7.923 18.088 1.00 42.26 O HETATM 2332 O HOH 92 -12.561 12.573 12.011 1.00 26.10 O HETATM 2333 O HOH 93 9.614 14.131 1.302 1.00 24.84 O HETATM 2334 O HOH 94 0.035 29.404 -8.993 1.00 34.50 O HETATM 2335 O HOH 95 8.248 14.537 3.426 1.00 22.45 O HETATM 2336 O HOH 96 -2.036 -5.450 15.915 1.00 39.45 O HETATM 2337 O HOH 97 -6.012 -9.004 5.328 1.00 23.12 O HETATM 2338 O HOH 98 1.572 -8.125 10.858 1.00 35.49 O HETATM 2339 O HOH 99 -25.486 1.486 -4.643 1.00 38.91 O HETATM 2340 O HOH 100 -11.884 27.603 -12.561 1.00 39.79 O HETATM 2341 O HOH 101 4.999 5.802 -11.031 1.00 30.06 O HETATM 2342 O HOH 102 -9.872 17.882 8.841 1.00 27.62 O HETATM 2343 O HOH 103 8.951 -2.533 5.083 1.00 33.26 O HETATM 2344 O HOH 104 7.472 7.907 -10.362 1.00 35.62 O HETATM 2345 O HOH 105 -13.659 13.200 -28.060 1.00 59.89 O HETATM 2346 O HOH 106 -5.900 30.827 -14.849 1.00 33.16 O HETATM 2347 O HOH 107 -0.336 -18.728 -15.025 1.00 30.82 O HETATM 2348 O HOH 108 -25.473 -3.899 -5.531 1.00 25.62 O HETATM 2349 O HOH 109 -27.366 -3.935 5.382 1.00 30.67 O HETATM 2350 O HOH 110 -8.852 -17.330 -5.054 1.00 20.06 O HETATM 2351 O HOH 111 -22.154 -26.299 -4.444 1.00 11.80 O HETATM 2352 O HOH 112 -12.383 26.819 -1.850 1.00 26.22 O HETATM 2353 O HOH 113 -15.490 0.031 -21.646 1.00 30.65 O HETATM 2354 O HOH 114 -19.280 -1.125 -16.792 1.00 24.80 O HETATM 2355 O HOH 115 -30.094 -13.000 -0.869 1.00 33.48 O HETATM 2356 O HOH 116 -14.087 18.259 -8.762 1.00 28.96 O HETATM 2357 O HOH 117 -2.400 -17.771 -18.705 1.00 34.88 O HETATM 2358 O HOH 118 -15.829 -18.193 7.792 1.00 32.46 O HETATM 2359 O HOH 119 -15.646 1.387 -7.310 1.00 12.78 O HETATM 2360 O HOH 120 -8.711 -17.171 -13.044 1.00 21.04 O HETATM 2361 O HOH 121 -28.619 -13.057 1.585 1.00 24.95 O HETATM 2362 O HOH 122 -3.783 -19.191 -7.803 1.00 19.04 O HETATM 2363 O HOH 123 -17.421 8.751 -6.385 1.00 12.71 O HETATM 2364 O HOH 124 -28.648 -13.781 4.618 1.00 23.68 O HETATM 2365 O HOH 125 1.848 -16.632 -12.281 1.00 26.19 O HETATM 2366 O HOH 126 -12.754 4.594 -13.493 1.00 11.96 O HETATM 2367 O HOH 127 7.186 -0.012 -8.451 1.00 18.22 O HETATM 2368 O HOH 128 -16.067 -24.055 -2.119 1.00 32.54 O HETATM 2369 O HOH 129 -3.055 -0.072 -5.017 1.00 14.72 O HETATM 2370 O HOH 130 -3.917 -14.106 0.319 1.00 11.97 O HETATM 2371 O HOH 131 -27.040 -10.795 6.505 1.00 24.97 O HETATM 2372 O HOH 132 -3.043 -3.462 -16.590 1.00 26.63 O HETATM 2373 O HOH 133 -0.755 -17.483 -5.883 1.00 20.48 O HETATM 2374 O HOH 134 7.751 -3.187 -2.034 1.00 17.77 O HETATM 2375 O HOH 135 -10.056 -2.336 -24.590 1.00 23.23 O HETATM 2376 O HOH 136 -19.113 -7.583 -8.750 1.00 26.01 O HETATM 2377 O HOH 137 -16.826 13.969 -5.331 1.00 14.56 O HETATM 2378 O HOH 138 -26.196 -10.558 3.303 1.00 15.47 O HETATM 2379 O HOH 139 -9.539 -17.111 -0.927 1.00 14.97 O HETATM 2380 O HOH 140 -19.340 -7.951 -17.171 1.00 33.85 O HETATM 2381 O HOH 141 7.561 0.605 -13.112 1.00 34.93 O HETATM 2382 O HOH 142 3.323 -10.794 -15.317 1.00 28.09 O HETATM 2383 O HOH 143 -26.310 -19.750 -3.145 1.00 19.59 O HETATM 2384 O HOH 144 -2.789 -14.283 -11.808 1.00 12.86 O HETATM 2385 O HOH 145 0.458 -12.518 -0.749 1.00 23.58 O HETATM 2386 O HOH 146 0.867 -3.876 -3.335 1.00 17.09 O HETATM 2387 O HOH 147 4.687 -12.371 -5.162 1.00 27.10 O HETATM 2388 O HOH 148 -1.447 -14.970 -19.340 1.00 23.72 O HETATM 2389 O HOH 149 -9.818 20.662 -1.679 1.00 26.93 O HETATM 2390 O HOH 150 -4.620 -12.347 -9.357 1.00 13.92 O HETATM 2391 O HOH 151 -12.567 0.675 -23.341 1.00 33.63 O HETATM 2392 O HOH 152 -18.828 0.398 6.465 1.00 39.57 O HETATM 2393 O HOH 153 -14.267 7.703 -13.099 1.00 32.77 O HETATM 2394 O HOH 154 -20.510 -12.773 13.182 1.00 23.71 O HETATM 2395 O HOH 155 -25.031 -5.886 7.337 1.00 38.98 O HETATM 2396 O HOH 156 -16.633 -24.432 -8.795 1.00 26.94 O HETATM 2397 O HOH 157 -8.746 -6.683 1.870 1.00 18.85 O HETATM 2398 O HOH 158 -8.162 -14.187 2.133 1.00 33.83 O HETATM 2399 O HOH 159 -5.846 -1.711 -0.856 1.00 8.76 O HETATM 2400 O HOH 160 -21.780 -19.026 2.710 1.00 29.30 O HETATM 2401 O HOH 161 -15.108 7.179 -5.865 1.00 10.37 O HETATM 2402 O HOH 162 4.889 -8.136 -11.405 1.00 27.00 O HETATM 2403 O HOH 163 -17.441 12.244 -9.333 1.00 30.09 O HETATM 2404 O HOH 164 -22.096 -19.136 -8.297 1.00 42.27 O HETATM 2405 O HOH 165 -2.913 -21.551 -11.922 1.00 25.77 O HETATM 2406 O HOH 166 -20.814 -5.441 -11.419 1.00 24.08 O HETATM 2407 O HOH 167 -25.965 -16.870 -3.403 1.00 24.16 O HETATM 2408 O HOH 168 -15.026 -21.022 1.918 1.00 21.87 O HETATM 2409 O HOH 169 -27.790 -11.279 -4.093 1.00 25.97 O HETATM 2410 O HOH 170 -6.700 -7.126 3.835 1.00 16.79 O HETATM 2411 O HOH 171 3.258 -4.706 -10.171 1.00 11.09 O HETATM 2412 O HOH 172 -11.127 18.053 -3.962 1.00 25.99 O HETATM 2413 O HOH 173 -17.472 -7.415 -19.029 1.00 21.20 O HETATM 2414 O HOH 174 -18.007 -0.115 -14.570 1.00 36.92 O HETATM 2415 O HOH 175 2.686 -7.492 -10.242 1.00 17.23 O HETATM 2416 O HOH 176 -22.756 -16.541 3.384 1.00 21.61 O HETATM 2417 O HOH 177 -2.474 -13.331 -21.105 1.00 28.10 O HETATM 2418 O HOH 178 -18.989 -9.907 -15.379 1.00 20.69 O HETATM 2419 O HOH 179 -0.599 -10.627 -20.136 1.00 31.98 O HETATM 2420 O HOH 180 -5.775 -17.747 -3.956 1.00 36.22 O HETATM 2421 O HOH 181 -13.327 -12.879 -18.517 1.00 25.90 O HETATM 2422 O HOH 182 -0.323 -12.675 -18.535 1.00 27.71 O HETATM 2423 O HOH 183 6.056 -6.510 -9.361 1.00 27.40 O HETATM 2424 O HOH 184 -9.862 -21.081 -6.245 1.00 37.39 O HETATM 2425 O HOH 185 -17.939 8.091 -13.488 1.00 33.66 O HETATM 2426 O HOH 186 -11.492 5.252 -15.949 1.00 22.23 O HETATM 2427 O HOH 187 -15.171 3.412 -13.774 1.00 34.93 O HETATM 2428 O HOH 188 -9.692 -19.119 -2.879 1.00 21.69 O HETATM 2429 O HOH 189 -16.158 -18.310 -12.142 1.00 29.53 O HETATM 2430 O HOH 190 -21.758 8.324 -8.056 1.00 41.61 O HETATM 2431 O HOH 191 -22.784 -24.359 -8.698 1.00 28.95 O HETATM 2432 O HOH 192 -19.853 -23.294 2.373 1.00 26.00 O HETATM 2433 O HOH 193 -10.083 -16.545 2.585 1.00 29.40 O HETATM 2434 O HOH 194 -11.816 2.678 -19.641 1.00 32.96 O HETATM 2435 O HOH 195 6.829 -5.297 -11.600 1.00 39.35 O HETATM 2436 O HOH 196 -24.635 -17.515 -9.573 1.00 37.16 O HETATM 2437 O HOH 197 3.201 -3.248 -2.214 1.00 21.39 O HETATM 2438 O HOH 198 -22.116 -9.233 -11.244 1.00 25.78 O HETATM 2439 O HOH 199 -11.714 -8.826 -24.204 1.00 36.23 O HETATM 2440 O HOH 200 -29.130 -8.444 1.889 1.00 34.46 O HETATM 2441 O HOH 201 -17.874 -17.911 -16.165 1.00 35.74 O HETATM 2442 O HOH 202 7.316 -2.016 -18.077 1.00 30.12 O HETATM 2443 O HOH 203 -24.189 4.620 -12.083 1.00 40.85 O HETATM 2444 O HOH 204 -22.318 -11.822 15.778 1.00 24.33 O HETATM 2445 O HOH 205 8.035 -7.497 -7.861 1.00 35.93 O HETATM 2446 O HOH 206 -26.409 -17.393 1.131 1.00 20.54 O HETATM 2447 O HOH 207 -18.861 -11.712 -18.224 1.00 41.08 O HETATM 2448 O HOH 208 -12.864 -17.694 -14.792 1.00 44.37 O HETATM 2449 O HOH 209 -17.591 11.597 -6.762 1.00 21.27 O HETATM 2450 O HOH 210 -19.306 -15.070 15.866 1.00 36.55 O HETATM 2451 O HOH 211 -23.295 0.800 -16.369 1.00 39.08 O HETATM 2452 O HOH 212 -2.104 -16.733 -11.389 1.00 23.30 O HETATM 2453 O HOH 213 -14.873 -25.863 -6.387 1.00 32.57 O HETATM 2454 O HOH 214 -10.268 -18.592 3.991 1.00 33.56 O HETATM 2455 O HOH 215 -28.348 -15.671 1.324 1.00 28.05 O HETATM 2456 O HOH 216 -7.189 -18.211 0.875 1.00 28.21 O HETATM 2457 O HOH 217 -26.368 -14.940 10.612 1.00 26.00 O HETATM 2458 O HOH 218 -17.798 -24.285 1.109 1.00 35.11 O HETATM 2459 O HOH 219 -8.427 -21.625 -1.724 1.00 31.46 O HETATM 2460 O HOH 220 -18.094 -19.224 9.115 1.00 32.28 O HETATM 2461 O HOH 221 -28.441 -16.226 -2.685 1.00 33.74 O HETATM 2462 O HOH 222 -25.097 -1.871 -7.600 1.00 40.46 O HETATM 2463 O HOH 223 -6.282 -13.355 4.021 1.00 43.65 O HETATM 2464 O HOH 224 -4.818 -18.707 -18.851 1.00 29.29 O HETATM 2465 O HOH 225 8.050 -5.607 -1.170 1.00 20.32 O HETATM 2466 O HOH 226 -16.298 -9.293 -20.402 1.00 34.64 O HETATM 2467 O HOH 227 10.580 -0.246 -12.818 1.00 36.17 O HETATM 2468 O HOH 228 -1.267 -2.290 -2.482 1.00 32.44 O HETATM 2469 O HOH 229 9.424 -1.127 -1.368 1.00 25.18 O HETATM 2470 O HOH 230 -6.718 -19.396 -8.548 1.00 34.40 O HETATM 2471 O HOH 231 -6.306 -19.098 -11.169 1.00 35.52 O HETATM 2472 O HOH 232 9.061 -5.554 -19.546 1.00 41.78 O HETATM 2473 O HOH 233 -29.726 -0.020 -7.629 1.00 43.61 O HETATM 2474 CAB TNN A 234 0.139 7.702 -12.906 1.00 -0.04 C HETATM 2475 CBF TNN A 234 0.656 6.525 -13.770 1.00 0.08 C HETATM 2476 OAG TNN A 234 0.624 5.302 -12.955 1.00 -0.39 O HETATM 2477 H5 TNN A 234 1.180 5.416 -12.193 1.00 0.21 H HETATM 2478 CBJ TNN A 234 -0.063 6.304 -15.071 1.00 0.12 C HETATM 2479 OAT TNN A 234 0.528 6.874 -16.139 1.00 -0.41 O HETATM 2480 CBI TNN A 234 0.256 5.512 -16.335 1.00 0.12 C HETATM 2481 CAY TNN A 234 -0.806 5.121 -17.265 1.00 0.00 C HETATM 2482 CAQ TNN A 234 -0.575 4.173 -18.279 1.00 -0.01 C HETATM 2483 CAU TNN A 234 -1.591 3.794 -19.146 1.00 0.13 C HETATM 2484 OAE TNN A 234 -1.354 2.881 -20.123 1.00 -0.33 O HETATM 2485 H7 TNN A 234 -2.150 2.738 -20.621 1.00 0.25 H HETATM 2486 CBC TNN A 234 -2.874 4.323 -19.063 1.00 0.10 C HETATM 2487 CAZ TNN A 234 -3.880 3.903 -19.965 1.00 0.17 C HETATM 2488 OAC TNN A 234 -3.628 3.070 -20.827 1.00 -0.36 O HETATM 2489 CBB TNN A 234 -5.176 4.429 -19.859 1.00 0.03 C HETATM 2490 CAP TNN A 234 -6.204 4.020 -20.750 1.00 -0.06 C HETATM 2491 CAO TNN A 234 -7.510 4.557 -20.646 1.00 -0.03 C HETATM 2492 CAW TNN A 234 -7.783 5.496 -19.625 1.00 0.13 C HETATM 2493 OAS TNN A 234 -8.971 6.138 -19.389 1.00 -0.32 O HETATM 2494 CAA TNN A 234 -10.234 5.628 -19.886 1.00 0.06 C HETATM 2495 H10 TNN A 234 -11.048 6.301 -19.578 1.00 0.06 H HETATM 2496 H11 TNN A 234 -10.412 4.624 -19.473 1.00 0.06 H HETATM 2497 H12 TNN A 234 -10.200 5.572 -20.984 1.00 0.06 H HETATM 2498 CAV TNN A 234 -6.762 5.887 -18.745 1.00 0.14 C HETATM 2499 OAF TNN A 234 -7.070 6.848 -17.796 1.00 -0.33 O HETATM 2500 H13 TNN A 234 -6.302 7.025 -17.266 1.00 0.25 H HETATM 2501 CBD TNN A 234 -5.454 5.374 -18.834 1.00 0.07 C HETATM 2502 CBA TNN A 234 -4.450 5.810 -17.953 1.00 0.16 C HETATM 2503 OAD TNN A 234 -4.720 6.664 -17.093 1.00 -0.38 O HETATM 2504 CBE TNN A 234 -3.147 5.275 -18.048 1.00 0.09 C HETATM 2505 CAX TNN A 234 -2.112 5.659 -17.160 1.00 0.09 C HETATM 2506 NAR TNN A 234 -2.347 6.592 -16.142 1.00 -0.28 N HETATM 2507 CBH TNN A 234 -1.640 6.467 -14.838 1.00 0.10 C HETATM 2508 CAL TNN A 234 -2.179 5.340 -14.150 1.00 -0.05 C HETATM 2509 CAJ TNN A 234 -2.338 4.388 -13.750 1.00 -0.08 C HETATM 2510 CAN TNN A 234 -2.422 3.002 -13.274 1.00 -0.09 C HETATM 2511 CAM TNN A 234 -1.468 2.108 -13.667 1.00 -0.09 C HETATM 2512 CAI TNN A 234 -0.418 2.709 -14.500 1.00 -0.08 C HETATM 2513 CAK TNN A 234 0.324 3.292 -15.126 1.00 -0.06 C HETATM 2514 CBG TNN A 234 1.191 4.309 -15.903 1.00 0.09 C HETATM 2515 OAH TNN A 234 1.919 3.785 -16.943 1.00 -0.39 O HETATM 2516 H23 TNN A 234 2.513 3.122 -16.610 1.00 0.21 H HETATM 2517 H22 TNN A 234 1.929 4.708 -15.192 1.00 0.07 H HETATM 2518 H21 TNN A 234 0.900 2.420 -15.432 1.00 0.07 H HETATM 2519 H20 TNN A 234 0.113 1.767 -14.627 1.00 0.04 H HETATM 2520 H19 TNN A 234 -1.484 1.055 -13.391 1.00 0.05 H HETATM 2521 H18 TNN A 234 -3.233 2.692 -12.617 1.00 0.05 H HETATM 2522 H17 TNN A 234 -3.227 4.697 -13.202 1.00 0.04 H HETATM 2523 H16 TNN A 234 -3.074 5.819 -13.755 1.00 0.07 H HETATM 2524 H15 TNN A 234 -1.816 7.373 -14.240 1.00 0.08 H HETATM 2525 H14 TNN A 234 -3.010 7.365 -16.296 1.00 0.20 H HETATM 2526 H9 TNN A 234 -8.287 4.253 -21.338 1.00 0.06 H HETATM 2527 H8 TNN A 234 -5.986 3.288 -21.519 1.00 0.06 H HETATM 2528 H6 TNN A 234 0.410 3.733 -18.385 1.00 0.07 H HETATM 2529 H4 TNN A 234 1.704 6.744 -14.021 1.00 0.06 H HETATM 2530 H1 TNN A 234 0.156 8.628 -13.500 1.00 0.03 H HETATM 2531 H2 TNN A 234 0.785 7.821 -12.024 1.00 0.03 H HETATM 2532 H3 TNN A 234 -0.891 7.493 -12.581 1.00 0.03 H CONECT 1 2 11 12 13 CONECT 11 1 CONECT 12 1 CONECT 13 1 CONECT 1121 1122 1131 1132 1133 CONECT 1131 1121 CONECT 1132 1121 CONECT 1133 1121 CONECT 2474 2475 2530 2531 2532 CONECT 2475 2474 2476 2478 2529 CONECT 2476 2475 2477 CONECT 2477 2476 CONECT 2478 2475 2479 2480 2507 CONECT 2479 2478 2480 CONECT 2480 2478 2479 2481 2514 CONECT 2481 2480 2482 2505 CONECT 2482 2481 2483 2528 CONECT 2483 2482 2484 2486 CONECT 2484 2483 2485 CONECT 2485 2484 CONECT 2486 2483 2487 2504 CONECT 2487 2486 2488 2489 CONECT 2488 2487 CONECT 2489 2487 2490 2501 CONECT 2490 2489 2491 2527 CONECT 2491 2490 2492 2526 CONECT 2492 2491 2493 2498 CONECT 2493 2492 2494 CONECT 2494 2493 2495 2496 2497 CONECT 2495 2494 CONECT 2496 2494 CONECT 2497 2494 CONECT 2498 2492 2499 2501 CONECT 2499 2498 2500 CONECT 2500 2499 CONECT 2501 2489 2498 2502 CONECT 2502 2501 2503 2504 CONECT 2503 2502 CONECT 2504 2486 2502 2505 CONECT 2505 2481 2504 2506 CONECT 2506 2505 2507 2525 CONECT 2507 2478 2506 2508 2524 CONECT 2508 2507 2509 2523 CONECT 2509 2508 2510 2522 CONECT 2510 2509 2511 2521 CONECT 2511 2510 2512 2520 CONECT 2512 2511 2513 2519 CONECT 2513 2512 2514 2518 CONECT 2514 2480 2513 2515 2517 CONECT 2515 2514 2516 CONECT 2516 2515 CONECT 2517 2514 CONECT 2518 2513 CONECT 2519 2512 CONECT 2520 2511 CONECT 2521 2510 CONECT 2522 2509 CONECT 2523 2508 CONECT 2524 2507 CONECT 2525 2506 CONECT 2526 2491 CONECT 2527 2490 CONECT 2528 2482 CONECT 2529 2475 CONECT 2530 2474 CONECT 2531 2474 CONECT 2532 2474 MASTER 0 0 0 0 0 0 0 0 2530 2 67 20 END
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Structure:
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Related entries of code: 5umy
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
5umx
RCSB PDB
PDBbind
140aa, >5UMX_1|Chains... at 100%
6bbx
RCSB PDB
PDBbind
144aa, >6BBX_1|Chains... *
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
5umy
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
Glyoxalase/bleomycin resisance protein/dioxygenase
Ligand Name
TNN
EC.Number
E.C.-.-.-.-
Resolution
1.78(Å)
Affinity (Kd/Ki/IC50)
Kd=108nM
Release Year
2018
Protein/NA Sequence
Check fasta file
Primary Reference
(2018) Cell Chem Biol Vol. 25: pp. 1075-1085.e4
Ligand Properties
Formula
C
2
7
H
2
3
NO
8
Molecular Weight
489.473
Exact Mass
489.142
No. of atoms
59
No. of bonds
64
Polar Surface Area
148.85
LOGP Value
3.10 (
Computed with XLOGP3
)
2.20 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 5
No. of Hydrogen Bond Acceptors: 6
No. of Rotatable Bonds: 6
No. of Nitrogen and Oxygen Atoms: 9
No. of Rings: 6
Canonical SMILES
COc1ccc2c(c1O)C(=O)c1c(C2=O)c(O)cc2c1N[C@H]1/C=C\C=C/C=C\[C@H]([C@@]32[C@]1(O3)[C@H](O)C)O
InChI String
InChI=1S/C27H23NO8/c1-12(29)26-17-7-5-3-4-6-8-18(31)27(26,36-26)14-11-15(30)20-21(22(14)28-17)25(34)19-13(23(20)32)9-10-16(35-2)24(19)33/h3-12,17-18,28-31,33H,1-2H3/b4-3-,7-5-,8-6-/t12-,17+,18-,26+,27+/m1/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
A0A125SA29
Entrez Gene ID
No matched NCBI Entrez Gene ID found!
ASD
Information of known allosteric effects of PDB entries
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