Browse entries in the PDBbind-CN Database
HEADER 6P8Y_COMPLEX COMPND 6P8Y_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 166 MET THR GLU TYR LYS LEU VAL VAL VAL GLY ALA CYS GLY SEQRES 2 A 166 VAL GLY LYS SER ALA LEU THR ILE GLN LEU ILE GLN ASN SEQRES 3 A 166 HIS PHE VAL ASP GLU TYR ASP PRO THR ILE GLU ASP SER SEQRES 4 A 166 TYR ARG LYS GLN VAL VAL ILE ASP GLY GLU THR SER LEU SEQRES 5 A 166 LEU ASP ILE LEU ASP THR ALA GLY GLN GLU GLU TYR SER SEQRES 6 A 166 ALA MET ARG ASP GLN TYR MET ARG THR GLY GLU GLY PHE SEQRES 7 A 166 LEU LEU VAL PHE ALA ILE ASN ASN THR LYS SER PHE GLU SEQRES 8 A 166 ASP ILE HIS HIS TYR ARG GLU GLN ILE LYS ARG VAL LYS SEQRES 9 A 166 ASP SER GLU ASP VAL PRO MET VAL LEU VAL GLY ASN LYS SEQRES 10 A 166 SER ASP LEU PRO SER ARG THR VAL ASP THR LYS GLN ALA SEQRES 11 A 166 GLN ASP LEU ALA ARG SER TYR GLY ILE PRO PHE ILE GLU SEQRES 12 A 166 THR SER ALA LYS THR ARG GLN GLY VAL ASP ASP ALA PHE SEQRES 13 A 166 TYR THR LEU VAL ARG GLU ILE ARG LYS HIS HET MG A 1 1 HET O A 5Y 65 ATOM 1 N MET A 1 11.030 -13.222 19.103 1.00 85.28 N ATOM 2 CA MET A 1 10.659 -12.084 19.985 1.00 85.78 C ATOM 3 C MET A 1 9.251 -11.599 19.625 1.00 83.57 C ATOM 4 O MET A 1 8.281 -12.114 20.207 1.00 83.55 O ATOM 5 CB MET A 1 11.641 -10.923 19.812 1.00 88.48 C ATOM 6 CG MET A 1 12.196 -10.395 21.116 1.00 90.97 C ATOM 7 SD MET A 1 12.774 -8.691 20.963 1.00 94.31 S ATOM 8 CE MET A 1 14.378 -8.942 20.205 1.00 93.57 C ATOM 9 HN3 MET A 1 11.013 -12.910 18.111 1.00 0.00 H ATOM 10 HN2 MET A 1 10.350 -13.998 19.236 1.00 0.00 H ATOM 11 HN1 MET A 1 11.986 -13.551 19.347 1.00 0.00 H ATOM 12 N THR A 2 9.158 -10.658 18.683 1.00 81.09 N ATOM 13 CA THR A 2 7.875 -10.090 18.272 1.00 78.78 C ATOM 14 C THR A 2 7.470 -10.543 16.867 1.00 75.31 C ATOM 15 O THR A 2 8.316 -10.734 15.993 1.00 75.32 O ATOM 16 CB THR A 2 7.924 -8.547 18.309 1.00 78.92 C ATOM 17 OG1 THR A 2 8.465 -8.113 19.563 1.00 81.06 O ATOM 18 CG2 THR A 2 6.533 -7.948 18.130 1.00 78.56 C ATOM 19 HG1 THR A 2 8.495 -7.124 19.583 1.00 0.00 H ATOM 20 H THR A 2 10.028 -10.317 18.226 1.00 0.00 H ATOM 21 N GLU A 3 6.165 -10.699 16.663 1.00 71.34 N ATOM 22 CA GLU A 3 5.611 -11.126 15.381 1.00 69.57 C ATOM 23 C GLU A 3 4.758 -9.999 14.809 1.00 65.29 C ATOM 24 O GLU A 3 3.932 -9.430 15.519 1.00 64.95 O ATOM 25 CB GLU A 3 4.753 -12.383 15.574 1.00 72.08 C ATOM 26 CG GLU A 3 4.215 -12.992 14.287 1.00 74.39 C ATOM 27 CD GLU A 3 3.270 -14.161 14.523 1.00 76.66 C ATOM 28 OE1 GLU A 3 2.547 -14.535 13.574 1.00 79.63 O ATOM 29 OE2 GLU A 3 3.246 -14.708 15.648 1.00 76.32 O ATOM 30 H GLU A 3 5.512 -10.509 17.449 1.00 0.00 H ATOM 31 N TYR A 4 4.961 -9.680 13.532 1.00 60.82 N ATOM 32 CA TYR A 4 4.192 -8.632 12.858 1.00 58.29 C ATOM 33 C TYR A 4 3.479 -9.198 11.638 1.00 55.22 C ATOM 34 O TYR A 4 4.126 -9.742 10.742 1.00 52.88 O ATOM 35 CB TYR A 4 5.106 -7.481 12.431 1.00 58.81 C ATOM 36 CG TYR A 4 5.667 -6.681 13.584 1.00 58.69 C ATOM 37 CD1 TYR A 4 4.926 -5.663 14.180 1.00 59.02 C ATOM 38 CD2 TYR A 4 6.942 -6.936 14.075 1.00 58.74 C ATOM 39 CE1 TYR A 4 5.438 -4.923 15.235 1.00 59.56 C ATOM 40 CE2 TYR A 4 7.463 -6.205 15.128 1.00 58.94 C ATOM 41 CZ TYR A 4 6.708 -5.202 15.703 1.00 59.27 C ATOM 42 OH TYR A 4 7.227 -4.476 16.745 1.00 60.02 O ATOM 43 HH TYR A 4 6.564 -3.803 17.039 1.00 0.00 H ATOM 44 H TYR A 4 5.690 -10.192 12.996 1.00 0.00 H ATOM 45 N LYS A 5 2.153 -9.055 11.605 1.00 53.95 N ATOM 46 CA LYS A 5 1.341 -9.546 10.487 1.00 52.89 C ATOM 47 C LYS A 5 1.092 -8.410 9.499 1.00 49.88 C ATOM 48 O LYS A 5 0.356 -7.467 9.804 1.00 49.29 O ATOM 49 CB LYS A 5 0.004 -10.144 10.978 1.00 54.22 C ATOM 50 CG LYS A 5 0.081 -11.611 11.363 1.00 56.68 C ATOM 51 CD LYS A 5 -1.267 -12.140 11.825 1.00 59.11 C ATOM 52 CE LYS A 5 -1.179 -13.611 12.201 1.00 60.72 C ATOM 53 NZ LYS A 5 -2.459 -14.127 12.760 1.00 61.66 N ATOM 54 HZ1 LYS A 5 -2.704 -13.589 13.615 1.00 0.00 H ATOM 55 HZ2 LYS A 5 -3.214 -14.019 12.052 1.00 0.00 H ATOM 56 HZ3 LYS A 5 -2.350 -15.133 13.001 1.00 0.00 H ATOM 57 H LYS A 5 1.679 -8.579 12.399 1.00 0.00 H ATOM 58 N LEU A 6 1.725 -8.501 8.328 1.00 47.14 N ATOM 59 CA LEU A 6 1.630 -7.470 7.294 1.00 45.51 C ATOM 60 C LEU A 6 0.824 -7.984 6.111 1.00 43.26 C ATOM 61 O LEU A 6 0.911 -9.161 5.759 1.00 42.96 O ATOM 62 CB LEU A 6 3.027 -7.052 6.815 1.00 45.92 C ATOM 63 CG LEU A 6 4.099 -6.810 7.882 1.00 46.11 C ATOM 64 CD1 LEU A 6 5.383 -6.313 7.234 1.00 46.48 C ATOM 65 CD2 LEU A 6 3.624 -5.827 8.940 1.00 46.76 C ATOM 66 H LEU A 6 2.311 -9.340 8.142 1.00 0.00 H ATOM 67 N VAL A 7 0.052 -7.092 5.496 1.00 41.22 N ATOM 68 CA VAL A 7 -0.768 -7.439 4.338 1.00 39.76 C ATOM 69 C VAL A 7 -0.479 -6.474 3.191 1.00 38.53 C ATOM 70 O VAL A 7 -0.518 -5.259 3.369 1.00 37.08 O ATOM 71 CB VAL A 7 -2.273 -7.389 4.671 1.00 39.49 C ATOM 72 CG1 VAL A 7 -3.097 -7.893 3.492 1.00 39.24 C ATOM 73 CG2 VAL A 7 -2.576 -8.209 5.919 1.00 39.37 C ATOM 74 H VAL A 7 0.032 -6.115 5.852 1.00 0.00 H ATOM 75 N VAL A 8 -0.188 -7.034 2.018 1.00 37.44 N ATOM 76 CA VAL A 8 0.107 -6.255 0.821 1.00 36.63 C ATOM 77 C VAL A 8 -1.116 -6.292 -0.091 1.00 36.14 C ATOM 78 O VAL A 8 -1.506 -7.356 -0.567 1.00 36.43 O ATOM 79 CB VAL A 8 1.334 -6.825 0.072 1.00 36.24 C ATOM 80 CG1 VAL A 8 1.685 -5.968 -1.138 1.00 35.92 C ATOM 81 CG2 VAL A 8 2.528 -6.932 1.010 1.00 35.83 C ATOM 82 H VAL A 8 -0.170 -8.072 1.953 1.00 0.00 H ATOM 83 N VAL A 9 -1.712 -5.125 -0.327 1.00 36.09 N ATOM 84 CA VAL A 9 -2.911 -5.009 -1.162 1.00 35.85 C ATOM 85 C VAL A 9 -2.688 -4.020 -2.296 1.00 35.41 C ATOM 86 O VAL A 9 -1.725 -3.251 -2.282 1.00 36.13 O ATOM 87 CB VAL A 9 -4.152 -4.580 -0.342 1.00 36.16 C ATOM 88 CG1 VAL A 9 -4.401 -5.573 0.781 1.00 36.25 C ATOM 89 CG2 VAL A 9 -4.001 -3.165 0.214 1.00 35.97 C ATOM 90 H VAL A 9 -1.312 -4.264 0.097 1.00 0.00 H ATOM 91 N GLY A 10 -3.594 -4.042 -3.267 1.00 34.73 N ATOM 92 CA GLY A 10 -3.479 -3.212 -4.459 1.00 35.04 C ATOM 93 C GLY A 10 -3.917 -3.967 -5.695 1.00 35.47 C ATOM 94 O GLY A 10 -4.015 -5.196 -5.679 1.00 36.24 O ATOM 95 H GLY A 10 -4.415 -4.674 -3.173 1.00 0.00 H ATOM 96 N ALA A 11 -4.158 -3.227 -6.774 1.00 35.87 N ATOM 97 CA ALA A 11 -4.714 -3.788 -8.005 1.00 36.83 C ATOM 98 C ALA A 11 -3.814 -4.842 -8.646 1.00 37.92 C ATOM 99 O ALA A 11 -2.627 -4.947 -8.333 1.00 37.51 O ATOM 100 CB ALA A 11 -5.005 -2.676 -9.002 1.00 36.94 C ATOM 101 H ALA A 11 -3.943 -2.210 -6.741 1.00 0.00 H ATOM 102 N CYS A 12 -4.400 -5.619 -9.551 1.00 39.41 N ATOM 103 CA CYS A 12 -3.671 -6.652 -10.281 1.00 40.09 C ATOM 104 C CYS A 12 -2.564 -6.016 -11.119 1.00 39.37 C ATOM 105 O CYS A 12 -2.801 -5.036 -11.825 1.00 39.13 O ATOM 106 CB CYS A 12 -4.626 -7.441 -11.184 1.00 41.64 C ATOM 107 SG CYS A 12 -3.957 -9.003 -11.821 1.00 43.97 S ATOM 108 H CYS A 12 -5.413 -5.487 -9.746 1.00 0.00 H ATOM 109 N GLY A 13 -1.354 -6.560 -11.008 1.00 38.56 N ATOM 110 CA GLY A 13 -0.221 -6.129 -11.828 1.00 37.37 C ATOM 111 C GLY A 13 0.606 -4.960 -11.309 1.00 36.53 C ATOM 112 O GLY A 13 1.476 -4.461 -12.027 1.00 35.87 O ATOM 113 H GLY A 13 -1.208 -7.320 -10.313 1.00 0.00 H ATOM 114 N VAL A 14 0.348 -4.512 -10.079 1.00 35.50 N ATOM 115 CA VAL A 14 1.090 -3.376 -9.511 1.00 34.68 C ATOM 116 C VAL A 14 2.488 -3.774 -9.035 1.00 34.87 C ATOM 117 O VAL A 14 3.401 -2.952 -9.041 1.00 35.19 O ATOM 118 CB VAL A 14 0.336 -2.670 -8.354 1.00 34.49 C ATOM 119 CG1 VAL A 14 -0.994 -2.114 -8.845 1.00 34.03 C ATOM 120 CG2 VAL A 14 0.154 -3.585 -7.142 1.00 34.16 C ATOM 121 H VAL A 14 -0.391 -4.974 -9.512 1.00 0.00 H ATOM 122 N GLY A 15 2.643 -5.031 -8.628 1.00 35.03 N ATOM 123 CA GLY A 15 3.923 -5.556 -8.146 1.00 35.34 C ATOM 124 C GLY A 15 3.929 -5.983 -6.686 1.00 35.48 C ATOM 125 O GLY A 15 4.948 -5.866 -6.009 1.00 35.85 O ATOM 126 H GLY A 15 1.821 -5.668 -8.653 1.00 0.00 H ATOM 127 N LYS A 16 2.793 -6.476 -6.199 1.00 35.50 N ATOM 128 CA LYS A 16 2.685 -6.965 -4.825 1.00 35.77 C ATOM 129 C LYS A 16 3.631 -8.143 -4.590 1.00 35.88 C ATOM 130 O LYS A 16 4.380 -8.164 -3.612 1.00 35.38 O ATOM 131 CB LYS A 16 1.246 -7.394 -4.521 1.00 35.36 C ATOM 132 CG LYS A 16 0.223 -6.266 -4.565 1.00 35.16 C ATOM 133 CD LYS A 16 -1.181 -6.751 -4.215 1.00 34.80 C ATOM 134 CE LYS A 16 -1.783 -7.634 -5.300 1.00 34.85 C ATOM 135 NZ LYS A 16 -1.925 -6.935 -6.608 1.00 34.42 N ATOM 136 HZ1 LYS A 16 -2.546 -6.108 -6.492 1.00 0.00 H ATOM 137 HZ2 LYS A 16 -0.989 -6.624 -6.937 1.00 0.00 H ATOM 138 HZ3 LYS A 16 -2.340 -7.587 -7.305 1.00 0.00 H ATOM 139 H LYS A 16 1.956 -6.515 -6.815 1.00 0.00 H ATOM 140 N SER A 17 3.595 -9.116 -5.496 1.00 36.36 N ATOM 141 CA SER A 17 4.464 -10.285 -5.400 1.00 36.79 C ATOM 142 C SER A 17 5.924 -9.896 -5.612 1.00 37.76 C ATOM 143 O SER A 17 6.786 -10.238 -4.798 1.00 37.62 O ATOM 144 CB SER A 17 4.048 -11.352 -6.415 1.00 37.26 C ATOM 145 OG SER A 17 2.738 -11.819 -6.148 1.00 37.05 O ATOM 146 HG SER A 17 2.708 -12.213 -5.240 1.00 0.00 H ATOM 147 H SER A 17 2.931 -9.042 -6.293 1.00 0.00 H ATOM 148 N ALA A 18 6.191 -9.166 -6.695 1.00 37.27 N ATOM 149 CA ALA A 18 7.546 -8.715 -7.011 1.00 38.07 C ATOM 150 C ALA A 18 8.207 -8.014 -5.826 1.00 38.19 C ATOM 151 O ALA A 18 9.367 -8.273 -5.516 1.00 39.00 O ATOM 152 CB ALA A 18 7.528 -7.799 -8.225 1.00 38.54 C ATOM 153 H ALA A 18 5.412 -8.909 -7.335 1.00 0.00 H ATOM 154 N LEU A 19 7.461 -7.139 -5.161 1.00 38.34 N ATOM 155 CA LEU A 19 7.955 -6.468 -3.959 1.00 38.67 C ATOM 156 C LEU A 19 8.249 -7.454 -2.828 1.00 38.33 C ATOM 157 O LEU A 19 9.291 -7.369 -2.177 1.00 37.67 O ATOM 158 CB LEU A 19 6.955 -5.413 -3.477 1.00 38.42 C ATOM 159 CG LEU A 19 6.940 -4.108 -4.273 1.00 38.69 C ATOM 160 CD1 LEU A 19 5.687 -3.306 -3.960 1.00 38.63 C ATOM 161 CD2 LEU A 19 8.192 -3.287 -3.991 1.00 39.45 C ATOM 162 H LEU A 19 6.502 -6.926 -5.503 1.00 0.00 H ATOM 163 N THR A 20 7.327 -8.384 -2.601 1.00 39.17 N ATOM 164 CA THR A 20 7.472 -9.364 -1.525 1.00 40.07 C ATOM 165 C THR A 20 8.652 -10.312 -1.771 1.00 40.67 C ATOM 166 O THR A 20 9.409 -10.613 -0.847 1.00 39.94 O ATOM 167 CB THR A 20 6.178 -10.181 -1.340 1.00 40.48 C ATOM 168 OG1 THR A 20 5.068 -9.290 -1.157 1.00 41.26 O ATOM 169 CG2 THR A 20 6.285 -11.103 -0.129 1.00 40.91 C ATOM 170 HG1 THR A 20 4.979 -8.708 -1.953 1.00 0.00 H ATOM 171 H THR A 20 6.480 -8.416 -3.204 1.00 0.00 H ATOM 172 N ILE A 21 8.802 -10.769 -3.014 1.00 41.93 N ATOM 173 CA ILE A 21 9.888 -11.683 -3.389 1.00 42.06 C ATOM 174 C ILE A 21 11.251 -10.993 -3.272 1.00 42.25 C ATOM 175 O ILE A 21 12.240 -11.626 -2.904 1.00 41.74 O ATOM 176 CB ILE A 21 9.708 -12.236 -4.828 1.00 42.70 C ATOM 177 CG1 ILE A 21 8.376 -12.988 -4.981 1.00 42.34 C ATOM 178 CG2 ILE A 21 10.867 -13.153 -5.212 1.00 42.71 C ATOM 179 CD1 ILE A 21 8.125 -14.053 -3.936 1.00 42.34 C ATOM 180 H ILE A 21 8.126 -10.467 -3.744 1.00 0.00 H ATOM 181 N GLN A 22 11.297 -9.701 -3.584 1.00 43.11 N ATOM 182 CA GLN A 22 12.524 -8.915 -3.411 1.00 43.96 C ATOM 183 C GLN A 22 12.961 -8.795 -1.956 1.00 44.13 C ATOM 184 O GLN A 22 14.145 -8.918 -1.654 1.00 44.66 O ATOM 185 CB GLN A 22 12.362 -7.506 -3.980 1.00 44.69 C ATOM 186 CG GLN A 22 12.983 -7.319 -5.349 1.00 46.19 C ATOM 187 CD GLN A 22 14.507 -7.349 -5.341 1.00 47.34 C ATOM 188 OE1 GLN A 22 15.141 -7.562 -4.306 1.00 47.88 O ATOM 189 NE2 GLN A 22 15.100 -7.134 -6.507 1.00 47.63 N ATOM 190 HE22 GLN A 22 14.527 -6.958 -7.357 1.00 0.00 H ATOM 191 HE21 GLN A 22 16.138 -7.141 -6.572 1.00 0.00 H ATOM 192 H GLN A 22 10.445 -9.238 -3.959 1.00 0.00 H ATOM 193 N LEU A 23 12.012 -8.538 -1.063 1.00 44.39 N ATOM 194 CA LEU A 23 12.326 -8.362 0.351 1.00 45.87 C ATOM 195 C LEU A 23 12.945 -9.626 0.940 1.00 47.89 C ATOM 196 O LEU A 23 13.986 -9.564 1.592 1.00 47.76 O ATOM 197 CB LEU A 23 11.069 -7.981 1.146 1.00 45.24 C ATOM 198 CG LEU A 23 11.260 -7.722 2.646 1.00 44.78 C ATOM 199 CD1 LEU A 23 11.974 -6.401 2.887 1.00 44.58 C ATOM 200 CD2 LEU A 23 9.923 -7.754 3.370 1.00 44.92 C ATOM 201 H LEU A 23 11.024 -8.461 -1.378 1.00 0.00 H ATOM 202 N ILE A 24 12.300 -10.766 0.701 1.00 49.95 N ATOM 203 CA ILE A 24 12.663 -12.021 1.364 1.00 51.90 C ATOM 204 C ILE A 24 13.724 -12.837 0.607 1.00 52.56 C ATOM 205 O ILE A 24 14.550 -13.507 1.234 1.00 52.71 O ATOM 206 CB ILE A 24 11.400 -12.863 1.695 1.00 52.83 C ATOM 207 CG1 ILE A 24 10.721 -13.411 0.443 1.00 53.89 C ATOM 208 CG2 ILE A 24 10.386 -12.027 2.467 1.00 52.52 C ATOM 209 CD1 ILE A 24 9.663 -14.445 0.747 1.00 55.73 C ATOM 210 H ILE A 24 11.513 -10.766 0.021 1.00 0.00 H ATOM 211 N GLN A 25 13.708 -12.767 -0.725 1.00 52.30 N ATOM 212 CA GLN A 25 14.624 -13.544 -1.565 1.00 52.97 C ATOM 213 C GLN A 25 15.687 -12.732 -2.287 1.00 53.22 C ATOM 214 O GLN A 25 16.541 -13.307 -2.966 1.00 53.43 O ATOM 215 CB GLN A 25 13.838 -14.294 -2.638 1.00 53.61 C ATOM 216 CG GLN A 25 14.377 -15.695 -2.892 1.00 54.95 C ATOM 217 CD GLN A 25 14.314 -16.600 -1.675 1.00 55.74 C ATOM 218 OE1 GLN A 25 13.321 -16.618 -0.946 1.00 56.20 O ATOM 219 NE2 GLN A 25 15.380 -17.361 -1.450 1.00 56.57 N ATOM 220 HE22 GLN A 25 16.197 -17.314 -2.092 1.00 0.00 H ATOM 221 HE21 GLN A 25 15.397 -18.004 -0.632 1.00 0.00 H ATOM 222 H GLN A 25 13.020 -12.137 -1.185 1.00 0.00 H ATOM 223 N ASN A 26 15.605 -11.410 -2.183 1.00 53.20 N ATOM 224 CA ASN A 26 16.618 -10.512 -2.736 1.00 54.38 C ATOM 225 C ASN A 26 16.859 -10.639 -4.251 1.00 54.59 C ATOM 226 O ASN A 26 17.973 -10.410 -4.726 1.00 54.79 O ATOM 227 CB ASN A 26 17.935 -10.665 -1.960 1.00 54.69 C ATOM 228 CG ASN A 26 17.805 -10.250 -0.506 1.00 55.87 C ATOM 229 OD1 ASN A 26 18.184 -9.143 -0.135 1.00 58.44 O ATOM 230 ND2 ASN A 26 17.255 -11.131 0.323 1.00 57.20 N ATOM 231 HD22 ASN A 26 16.947 -12.058 -0.033 1.00 0.00 H ATOM 232 HD21 ASN A 26 17.132 -10.893 1.328 1.00 0.00 H ATOM 233 H ASN A 26 14.788 -10.998 -1.689 1.00 0.00 H ATOM 234 N HIS A 27 15.817 -10.994 -5.002 1.00 55.37 N ATOM 235 CA HIS A 27 15.902 -11.057 -6.464 1.00 56.02 C ATOM 236 C HIS A 27 14.570 -10.726 -7.128 1.00 53.86 C ATOM 237 O HIS A 27 13.508 -10.888 -6.528 1.00 52.52 O ATOM 238 CB HIS A 27 16.335 -12.450 -6.934 1.00 58.57 C ATOM 239 CG HIS A 27 17.801 -12.719 -6.799 1.00 61.09 C ATOM 240 ND1 HIS A 27 18.314 -13.633 -5.904 1.00 62.79 N ATOM 241 CD2 HIS A 27 18.864 -12.205 -7.462 1.00 62.34 C ATOM 242 CE1 HIS A 27 19.630 -13.663 -6.014 1.00 63.22 C ATOM 243 NE2 HIS A 27 19.990 -12.806 -6.953 1.00 62.96 N ATOM 244 H HIS A 27 14.918 -11.233 -4.538 1.00 0.00 H ATOM 245 N PHE A 28 14.660 -10.292 -8.385 1.00 52.26 N ATOM 246 CA PHE A 28 13.514 -9.922 -9.204 1.00 51.24 C ATOM 247 C PHE A 28 13.246 -11.049 -10.200 1.00 53.15 C ATOM 248 O PHE A 28 14.165 -11.534 -10.857 1.00 54.13 O ATOM 249 CB PHE A 28 13.816 -8.626 -9.952 1.00 50.05 C ATOM 250 CG PHE A 28 12.669 -8.117 -10.783 1.00 48.63 C ATOM 251 CD1 PHE A 28 11.503 -7.655 -10.184 1.00 47.48 C ATOM 252 CD2 PHE A 28 12.766 -8.083 -12.165 1.00 47.56 C ATOM 253 CE1 PHE A 28 10.454 -7.179 -10.955 1.00 46.85 C ATOM 254 CE2 PHE A 28 11.721 -7.612 -12.939 1.00 46.79 C ATOM 255 CZ PHE A 28 10.563 -7.158 -12.334 1.00 46.73 C ATOM 256 H PHE A 28 15.607 -10.213 -8.807 1.00 0.00 H ATOM 257 N VAL A 29 11.986 -11.452 -10.318 1.00 54.51 N ATOM 258 CA VAL A 29 11.612 -12.645 -11.083 1.00 55.19 C ATOM 259 C VAL A 29 11.131 -12.297 -12.503 1.00 57.15 C ATOM 260 O VAL A 29 10.442 -11.298 -12.718 1.00 57.05 O ATOM 261 CB VAL A 29 10.555 -13.452 -10.296 1.00 55.06 C ATOM 262 CG1 VAL A 29 10.066 -14.658 -11.087 1.00 55.10 C ATOM 263 CG2 VAL A 29 11.130 -13.877 -8.945 1.00 55.36 C ATOM 264 H VAL A 29 11.238 -10.901 -9.851 1.00 0.00 H ATOM 265 N ASP A 30 11.509 -13.128 -13.473 1.00 57.94 N ATOM 266 CA ASP A 30 11.200 -12.851 -14.885 1.00 59.11 C ATOM 267 C ASP A 30 9.758 -13.178 -15.262 1.00 58.96 C ATOM 268 O ASP A 30 9.201 -12.555 -16.168 1.00 59.43 O ATOM 269 CB ASP A 30 12.141 -13.624 -15.815 1.00 60.29 C ATOM 270 CG ASP A 30 13.596 -13.212 -15.664 1.00 61.69 C ATOM 271 OD1 ASP A 30 13.869 -12.112 -15.132 1.00 62.77 O ATOM 272 OD2 ASP A 30 14.472 -13.993 -16.093 1.00 62.84 O ATOM 273 H ASP A 30 12.034 -13.991 -13.227 1.00 0.00 H ATOM 274 N GLU A 31 9.170 -14.166 -14.591 1.00 58.13 N ATOM 275 CA GLU A 31 7.772 -14.527 -14.808 1.00 57.76 C ATOM 276 C GLU A 31 7.103 -14.852 -13.470 1.00 56.30 C ATOM 277 O GLU A 31 7.402 -15.873 -12.847 1.00 53.84 O ATOM 278 CB GLU A 31 7.677 -15.715 -15.772 1.00 57.95 C ATOM 279 CG GLU A 31 6.305 -15.910 -16.409 1.00 59.70 C ATOM 280 CD GLU A 31 6.066 -15.016 -17.619 1.00 60.65 C ATOM 281 OE1 GLU A 31 6.789 -14.009 -17.791 1.00 61.85 O ATOM 282 OE2 GLU A 31 5.144 -15.322 -18.404 1.00 60.53 O ATOM 283 H GLU A 31 9.724 -14.698 -13.890 1.00 0.00 H ATOM 284 N TYR A 32 6.214 -13.965 -13.026 1.00 55.32 N ATOM 285 CA TYR A 32 5.460 -14.172 -11.790 1.00 55.08 C ATOM 286 C TYR A 32 4.171 -14.940 -12.062 1.00 54.61 C ATOM 287 O TYR A 32 3.694 -14.994 -13.200 1.00 54.05 O ATOM 288 CB TYR A 32 5.127 -12.834 -11.126 1.00 55.02 C ATOM 289 CG TYR A 32 6.339 -12.084 -10.634 1.00 55.07 C ATOM 290 CD1 TYR A 32 6.863 -12.326 -9.367 1.00 55.24 C ATOM 291 CD2 TYR A 32 6.963 -11.131 -11.432 1.00 54.66 C ATOM 292 CE1 TYR A 32 7.974 -11.640 -8.910 1.00 54.62 C ATOM 293 CE2 TYR A 32 8.075 -10.440 -10.986 1.00 54.45 C ATOM 294 CZ TYR A 32 8.576 -10.697 -9.725 1.00 54.88 C ATOM 295 OH TYR A 32 9.687 -10.015 -9.283 1.00 55.00 O ATOM 296 HH TYR A 32 9.914 -10.315 -8.367 1.00 0.00 H ATOM 297 H TYR A 32 6.051 -13.097 -13.576 1.00 0.00 H ATOM 298 N ASP A 33 3.623 -15.534 -11.005 1.00 53.31 N ATOM 299 CA ASP A 33 2.347 -16.233 -11.061 1.00 52.56 C ATOM 300 C ASP A 33 1.278 -15.372 -10.398 1.00 51.48 C ATOM 301 O ASP A 33 1.242 -15.294 -9.177 1.00 50.42 O ATOM 302 CB ASP A 33 2.464 -17.572 -10.327 1.00 52.01 C ATOM 303 CG ASP A 33 1.342 -18.528 -10.660 1.00 51.75 C ATOM 304 OD1 ASP A 33 0.171 -18.113 -10.600 1.00 51.77 O ATOM 305 OD2 ASP A 33 1.633 -19.705 -10.968 1.00 52.51 O ATOM 306 H ASP A 33 4.129 -15.497 -10.097 1.00 0.00 H ATOM 307 N PRO A 34 0.397 -14.734 -11.195 1.00 51.19 N ATOM 308 CA PRO A 34 -0.614 -13.834 -10.616 1.00 51.10 C ATOM 309 C PRO A 34 -1.686 -14.482 -9.725 1.00 51.68 C ATOM 310 O PRO A 34 -2.451 -13.760 -9.079 1.00 53.35 O ATOM 311 CB PRO A 34 -1.275 -13.205 -11.851 1.00 50.99 C ATOM 312 CG PRO A 34 -0.969 -14.127 -12.978 1.00 51.24 C ATOM 313 CD PRO A 34 0.387 -14.678 -12.670 1.00 51.26 C ATOM 314 N THR A 35 -1.747 -15.811 -9.688 1.00 51.23 N ATOM 315 CA THR A 35 -2.786 -16.517 -8.938 1.00 50.68 C ATOM 316 C THR A 35 -2.379 -16.864 -7.504 1.00 51.24 C ATOM 317 O THR A 35 -3.244 -17.125 -6.667 1.00 49.99 O ATOM 318 CB THR A 35 -3.201 -17.818 -9.660 1.00 50.50 C ATOM 319 OG1 THR A 35 -2.111 -18.749 -9.652 1.00 49.53 O ATOM 320 CG2 THR A 35 -3.601 -17.524 -11.098 1.00 50.20 C ATOM 321 HG1 THR A 35 -1.334 -18.350 -10.118 1.00 0.00 H ATOM 322 H THR A 35 -1.035 -16.364 -10.207 1.00 0.00 H ATOM 323 N ILE A 36 -1.078 -16.873 -7.218 1.00 51.65 N ATOM 324 CA ILE A 36 -0.588 -17.318 -5.915 1.00 52.82 C ATOM 325 C ILE A 36 -0.886 -16.312 -4.805 1.00 53.00 C ATOM 326 O ILE A 36 -0.576 -15.124 -4.913 1.00 52.78 O ATOM 327 CB ILE A 36 0.935 -17.616 -5.937 1.00 54.16 C ATOM 328 CG1 ILE A 36 1.224 -18.862 -6.784 1.00 54.33 C ATOM 329 CG2 ILE A 36 1.477 -17.743 -4.509 1.00 53.86 C ATOM 330 CD1 ILE A 36 2.678 -19.072 -7.153 1.00 54.01 C ATOM 331 H ILE A 36 -0.397 -16.557 -7.937 1.00 0.00 H ATOM 332 N GLU A 37 -1.474 -16.825 -3.730 1.00 53.53 N ATOM 333 CA GLU A 37 -1.814 -16.043 -2.557 1.00 54.56 C ATOM 334 C GLU A 37 -1.335 -16.827 -1.340 1.00 55.02 C ATOM 335 O GLU A 37 -1.949 -17.819 -0.950 1.00 56.27 O ATOM 336 CB GLU A 37 -3.325 -15.830 -2.516 1.00 54.55 C ATOM 337 CG GLU A 37 -3.826 -14.969 -1.374 1.00 54.67 C ATOM 338 CD GLU A 37 -5.283 -14.603 -1.553 1.00 54.71 C ATOM 339 OE1 GLU A 37 -5.606 -13.938 -2.562 1.00 54.94 O ATOM 340 OE2 GLU A 37 -6.105 -14.983 -0.697 1.00 54.15 O ATOM 341 H GLU A 37 -1.702 -17.840 -3.730 1.00 0.00 H ATOM 342 N ASP A 38 -0.225 -16.388 -0.757 1.00 55.25 N ATOM 343 CA ASP A 38 0.409 -17.121 0.336 1.00 55.38 C ATOM 344 C ASP A 38 1.124 -16.169 1.283 1.00 54.64 C ATOM 345 O ASP A 38 1.524 -15.072 0.894 1.00 53.81 O ATOM 346 CB ASP A 38 1.398 -18.146 -0.233 1.00 55.60 C ATOM 347 CG ASP A 38 1.959 -19.090 0.826 1.00 55.64 C ATOM 348 OD1 ASP A 38 1.315 -19.277 1.882 1.00 55.61 O ATOM 349 OD2 ASP A 38 3.049 -19.656 0.593 1.00 55.70 O ATOM 350 H ASP A 38 0.204 -15.500 -1.087 1.00 0.00 H ATOM 351 N SER A 39 1.262 -16.596 2.533 1.00 55.21 N ATOM 352 CA SER A 39 2.000 -15.837 3.530 1.00 55.12 C ATOM 353 C SER A 39 3.485 -16.187 3.447 1.00 55.07 C ATOM 354 O SER A 39 3.846 -17.347 3.237 1.00 54.68 O ATOM 355 CB SER A 39 1.459 -16.133 4.928 1.00 55.78 C ATOM 356 OG SER A 39 1.821 -17.438 5.356 1.00 57.86 O ATOM 357 HG SER A 39 2.808 -17.515 5.377 1.00 0.00 H ATOM 358 H SER A 39 0.829 -17.501 2.807 1.00 0.00 H ATOM 359 N TYR A 40 4.332 -15.175 3.607 1.00 54.63 N ATOM 360 CA TYR A 40 5.787 -15.338 3.588 1.00 54.66 C ATOM 361 C TYR A 40 6.412 -14.717 4.819 1.00 54.96 C ATOM 362 O TYR A 40 5.835 -13.821 5.429 1.00 53.09 O ATOM 363 CB TYR A 40 6.383 -14.637 2.384 1.00 54.79 C ATOM 364 CG TYR A 40 5.872 -15.146 1.064 1.00 55.29 C ATOM 365 CD1 TYR A 40 4.700 -14.640 0.511 1.00 55.27 C ATOM 366 CD2 TYR A 40 6.556 -16.136 0.369 1.00 55.02 C ATOM 367 CE1 TYR A 40 4.225 -15.104 -0.701 1.00 55.22 C ATOM 368 CE2 TYR A 40 6.090 -16.607 -0.845 1.00 55.49 C ATOM 369 CZ TYR A 40 4.924 -16.089 -1.375 1.00 55.73 C ATOM 370 OH TYR A 40 4.457 -16.552 -2.581 1.00 56.70 O ATOM 371 HH TYR A 40 3.619 -16.079 -2.813 1.00 0.00 H ATOM 372 H TYR A 40 3.943 -14.222 3.753 1.00 0.00 H ATOM 373 N ARG A 41 7.622 -15.155 5.149 1.00 56.17 N ATOM 374 CA ARG A 41 8.233 -14.774 6.418 1.00 57.74 C ATOM 375 C ARG A 41 9.643 -14.181 6.302 1.00 56.86 C ATOM 376 O ARG A 41 10.501 -14.707 5.594 1.00 57.58 O ATOM 377 CB ARG A 41 8.148 -15.947 7.402 1.00 60.27 C ATOM 378 CG ARG A 41 6.759 -16.037 8.049 1.00 62.23 C ATOM 379 CD ARG A 41 6.266 -17.451 8.292 1.00 64.24 C ATOM 380 NE ARG A 41 5.234 -17.839 7.336 1.00 66.13 N ATOM 381 CZ ARG A 41 5.443 -18.503 6.199 1.00 67.27 C ATOM 382 NH1 ARG A 41 6.665 -18.877 5.832 1.00 66.92 N ATOM 383 NH2 ARG A 41 4.411 -18.795 5.419 1.00 68.85 N ATOM 384 HE ARG A 41 4.253 -17.575 7.560 1.00 0.00 H ATOM 385 HH12 ARG A 41 6.805 -19.394 4.941 1.00 0.00 H ATOM 386 HH11 ARG A 41 7.481 -18.652 6.436 1.00 0.00 H ATOM 387 HH22 ARG A 41 4.561 -19.313 4.530 1.00 0.00 H ATOM 388 HH21 ARG A 41 3.451 -18.506 5.697 1.00 0.00 H ATOM 389 H ARG A 41 8.140 -15.777 4.495 1.00 0.00 H ATOM 390 N LYS A 42 9.842 -13.057 6.996 1.00 56.72 N ATOM 391 CA LYS A 42 11.090 -12.290 6.974 1.00 56.78 C ATOM 392 C LYS A 42 11.476 -11.929 8.403 1.00 56.83 C ATOM 393 O LYS A 42 10.648 -11.446 9.177 1.00 55.47 O ATOM 394 CB LYS A 42 10.936 -10.998 6.153 1.00 56.79 C ATOM 395 CG LYS A 42 12.162 -10.080 6.133 1.00 56.70 C ATOM 396 CD LYS A 42 13.277 -10.658 5.281 1.00 56.76 C ATOM 397 CE LYS A 42 14.507 -9.766 5.254 1.00 56.23 C ATOM 398 NZ LYS A 42 15.683 -10.377 4.564 1.00 56.14 N ATOM 399 HZ1 LYS A 42 15.950 -11.256 5.050 1.00 0.00 H ATOM 400 HZ2 LYS A 42 15.433 -10.588 3.577 1.00 0.00 H ATOM 401 HZ3 LYS A 42 16.481 -9.711 4.586 1.00 0.00 H ATOM 402 H LYS A 42 9.063 -12.705 7.588 1.00 0.00 H ATOM 403 N GLN A 43 12.740 -12.166 8.749 1.00 57.18 N ATOM 404 CA GLN A 43 13.224 -11.807 10.104 1.00 58.26 C ATOM 405 C GLN A 43 14.088 -10.550 9.989 1.00 57.81 C ATOM 406 O GLN A 43 14.955 -10.504 9.109 1.00 57.67 O ATOM 407 CB GLN A 43 13.945 -12.978 10.769 1.00 59.90 C ATOM 408 CG GLN A 43 13.000 -13.912 11.509 1.00 61.03 C ATOM 409 CD GLN A 43 13.456 -14.200 12.915 1.00 62.14 C ATOM 410 OE1 GLN A 43 12.786 -13.858 13.885 1.00 62.75 O ATOM 411 NE2 GLN A 43 14.606 -14.839 13.035 1.00 62.62 N ATOM 412 HE22 GLN A 43 15.141 -15.110 12.186 1.00 0.00 H ATOM 413 HE21 GLN A 43 14.976 -15.071 13.979 1.00 0.00 H ATOM 414 H GLN A 43 13.390 -12.605 8.066 1.00 0.00 H ATOM 415 N VAL A 44 13.823 -9.569 10.849 1.00 57.01 N ATOM 416 CA VAL A 44 14.539 -8.290 10.851 1.00 57.06 C ATOM 417 C VAL A 44 14.718 -7.750 12.270 1.00 57.99 C ATOM 418 O VAL A 44 13.999 -8.145 13.194 1.00 58.00 O ATOM 419 CB VAL A 44 13.824 -7.212 9.998 1.00 56.36 C ATOM 420 CG1 VAL A 44 13.905 -7.553 8.516 1.00 56.55 C ATOM 421 CG2 VAL A 44 12.372 -7.040 10.420 1.00 56.04 C ATOM 422 H VAL A 44 13.072 -9.717 11.553 1.00 0.00 H ATOM 423 N VAL A 45 15.686 -6.850 12.426 1.00 58.71 N ATOM 424 CA VAL A 45 15.931 -6.161 13.693 1.00 59.76 C ATOM 425 C VAL A 45 15.648 -4.674 13.508 1.00 60.39 C ATOM 426 O VAL A 45 16.308 -4.010 12.706 1.00 59.90 O ATOM 427 CB VAL A 45 17.386 -6.337 14.177 1.00 60.25 C ATOM 428 CG1 VAL A 45 17.568 -5.733 15.567 1.00 60.44 C ATOM 429 CG2 VAL A 45 17.773 -7.809 14.179 1.00 60.07 C ATOM 430 H VAL A 45 16.294 -6.627 11.612 1.00 0.00 H ATOM 431 N ILE A 46 14.663 -4.163 14.244 1.00 61.09 N ATOM 432 CA ILE A 46 14.294 -2.751 14.184 1.00 63.14 C ATOM 433 C ILE A 46 14.246 -2.191 15.603 1.00 64.64 C ATOM 434 O ILE A 46 13.559 -2.736 16.465 1.00 64.13 O ATOM 435 CB ILE A 46 12.931 -2.541 13.487 1.00 63.70 C ATOM 436 CG1 ILE A 46 12.914 -3.249 12.124 1.00 63.87 C ATOM 437 CG2 ILE A 46 12.642 -1.052 13.319 1.00 63.79 C ATOM 438 CD1 ILE A 46 11.572 -3.256 11.423 1.00 64.20 C ATOM 439 H ILE A 46 14.138 -4.792 14.884 1.00 0.00 H ATOM 440 N ASP A 47 14.981 -1.103 15.829 1.00 67.36 N ATOM 441 CA ASP A 47 15.071 -0.453 17.140 1.00 69.56 C ATOM 442 C ASP A 47 15.522 -1.406 18.258 1.00 69.46 C ATOM 443 O ASP A 47 15.028 -1.338 19.384 1.00 69.66 O ATOM 444 CB ASP A 47 13.738 0.226 17.489 1.00 71.36 C ATOM 445 CG ASP A 47 13.403 1.378 16.552 1.00 73.44 C ATOM 446 OD1 ASP A 47 14.049 1.500 15.487 1.00 74.84 O ATOM 447 OD2 ASP A 47 12.488 2.162 16.879 1.00 75.98 O ATOM 448 H ASP A 47 15.517 -0.695 15.037 1.00 0.00 H ATOM 449 N GLY A 48 16.473 -2.281 17.933 1.00 69.31 N ATOM 450 CA GLY A 48 17.008 -3.251 18.890 1.00 69.38 C ATOM 451 C GLY A 48 16.015 -4.331 19.287 1.00 69.97 C ATOM 452 O GLY A 48 16.091 -4.876 20.388 1.00 69.76 O ATOM 453 H GLY A 48 16.849 -2.275 16.963 1.00 0.00 H ATOM 454 N GLU A 49 15.098 -4.651 18.377 1.00 71.06 N ATOM 455 CA GLU A 49 14.037 -5.623 18.636 1.00 71.09 C ATOM 456 C GLU A 49 13.939 -6.570 17.452 1.00 69.51 C ATOM 457 O GLU A 49 13.659 -6.138 16.334 1.00 68.08 O ATOM 458 CB GLU A 49 12.691 -4.913 18.842 1.00 72.78 C ATOM 459 CG GLU A 49 12.289 -4.712 20.309 1.00 74.56 C ATOM 460 CD GLU A 49 11.329 -5.780 20.812 1.00 76.38 C ATOM 461 OE1 GLU A 49 10.317 -6.051 20.127 1.00 77.09 O ATOM 462 OE2 GLU A 49 11.574 -6.338 21.902 1.00 76.31 O ATOM 463 H GLU A 49 15.138 -4.191 17.445 1.00 0.00 H ATOM 464 N THR A 50 14.185 -7.854 17.696 1.00 67.76 N ATOM 465 CA THR A 50 13.993 -8.875 16.676 1.00 67.26 C ATOM 466 C THR A 50 12.511 -8.942 16.338 1.00 66.16 C ATOM 467 O THR A 50 11.662 -8.947 17.232 1.00 66.97 O ATOM 468 CB THR A 50 14.477 -10.255 17.153 1.00 68.15 C ATOM 469 OG1 THR A 50 15.794 -10.135 17.706 1.00 69.12 O ATOM 470 CG2 THR A 50 14.507 -11.251 15.999 1.00 68.92 C ATOM 471 HG1 THR A 50 16.104 -11.024 18.013 1.00 0.00 H ATOM 472 H THR A 50 14.523 -8.136 18.638 1.00 0.00 H ATOM 473 N SER A 51 12.217 -8.970 15.042 1.00 63.83 N ATOM 474 CA SER A 51 10.864 -8.917 14.531 1.00 62.14 C ATOM 475 C SER A 51 10.715 -9.974 13.462 1.00 61.17 C ATOM 476 O SER A 51 11.499 -9.993 12.521 1.00 62.49 O ATOM 477 CB SER A 51 10.589 -7.562 13.896 1.00 62.74 C ATOM 478 OG SER A 51 11.172 -6.501 14.626 1.00 63.10 O ATOM 479 HG SER A 51 12.153 -6.629 14.665 1.00 0.00 H ATOM 480 H SER A 51 13.000 -9.033 14.360 1.00 0.00 H ATOM 481 N LEU A 52 9.723 -10.847 13.603 1.00 59.58 N ATOM 482 CA LEU A 52 9.380 -11.799 12.557 1.00 58.81 C ATOM 483 C LEU A 52 8.194 -11.242 11.806 1.00 57.94 C ATOM 484 O LEU A 52 7.181 -10.906 12.417 1.00 57.81 O ATOM 485 CB LEU A 52 9.001 -13.155 13.151 1.00 60.10 C ATOM 486 CG LEU A 52 8.643 -14.285 12.180 1.00 61.01 C ATOM 487 CD1 LEU A 52 9.616 -14.307 11.016 1.00 60.54 C ATOM 488 CD2 LEU A 52 8.601 -15.647 12.858 1.00 61.37 C ATOM 489 H LEU A 52 9.175 -10.850 14.487 1.00 0.00 H ATOM 490 N LEU A 53 8.317 -11.160 10.486 1.00 56.54 N ATOM 491 CA LEU A 53 7.281 -10.580 9.646 1.00 55.41 C ATOM 492 C LEU A 53 6.504 -11.686 8.960 1.00 55.01 C ATOM 493 O LEU A 53 7.091 -12.533 8.298 1.00 54.91 O ATOM 494 CB LEU A 53 7.900 -9.654 8.597 1.00 55.85 C ATOM 495 CG LEU A 53 8.863 -8.586 9.125 1.00 55.82 C ATOM 496 CD1 LEU A 53 9.384 -7.734 7.977 1.00 56.41 C ATOM 497 CD2 LEU A 53 8.202 -7.720 10.188 1.00 55.42 C ATOM 498 H LEU A 53 9.183 -11.523 10.038 1.00 0.00 H ATOM 499 N ASP A 54 5.186 -11.683 9.136 1.00 54.82 N ATOM 500 CA ASP A 54 4.308 -12.626 8.459 1.00 54.17 C ATOM 501 C ASP A 54 3.592 -11.862 7.349 1.00 51.10 C ATOM 502 O ASP A 54 2.527 -11.279 7.563 1.00 50.72 O ATOM 503 CB ASP A 54 3.317 -13.243 9.458 1.00 57.06 C ATOM 504 CG ASP A 54 2.564 -14.439 8.888 1.00 59.71 C ATOM 505 OD1 ASP A 54 2.807 -14.815 7.721 1.00 61.04 O ATOM 506 OD2 ASP A 54 1.729 -15.012 9.621 1.00 62.36 O ATOM 507 H ASP A 54 4.768 -10.982 9.780 1.00 0.00 H ATOM 508 N ILE A 55 4.198 -11.865 6.165 1.00 48.13 N ATOM 509 CA ILE A 55 3.765 -11.019 5.056 1.00 45.95 C ATOM 510 C ILE A 55 2.798 -11.760 4.145 1.00 44.31 C ATOM 511 O ILE A 55 3.180 -12.725 3.487 1.00 43.74 O ATOM 512 CB ILE A 55 4.973 -10.534 4.225 1.00 45.33 C ATOM 513 CG1 ILE A 55 5.953 -9.761 5.114 1.00 44.90 C ATOM 514 CG2 ILE A 55 4.511 -9.662 3.064 1.00 45.47 C ATOM 515 CD1 ILE A 55 7.355 -9.673 4.549 1.00 44.43 C ATOM 516 H ILE A 55 5.013 -12.495 6.023 1.00 0.00 H ATOM 517 N LEU A 56 1.552 -11.294 4.108 1.00 43.81 N ATOM 518 CA LEU A 56 0.527 -11.873 3.251 1.00 43.87 C ATOM 519 C LEU A 56 0.476 -11.137 1.916 1.00 43.56 C ATOM 520 O LEU A 56 0.199 -9.939 1.871 1.00 43.29 O ATOM 521 CB LEU A 56 -0.832 -11.794 3.945 1.00 43.98 C ATOM 522 CG LEU A 56 -2.000 -12.530 3.292 1.00 44.65 C ATOM 523 CD1 LEU A 56 -1.708 -14.000 3.009 1.00 44.66 C ATOM 524 CD2 LEU A 56 -3.213 -12.382 4.194 1.00 45.12 C ATOM 525 H LEU A 56 1.301 -10.487 4.713 1.00 0.00 H ATOM 526 N ASP A 57 0.753 -11.867 0.837 1.00 44.17 N ATOM 527 CA ASP A 57 0.710 -11.330 -0.520 1.00 43.78 C ATOM 528 C ASP A 57 -0.633 -11.689 -1.161 1.00 43.43 C ATOM 529 O ASP A 57 -0.829 -12.813 -1.625 1.00 43.07 O ATOM 530 CB ASP A 57 1.873 -11.905 -1.337 1.00 44.86 C ATOM 531 CG ASP A 57 1.857 -11.457 -2.791 1.00 46.02 C ATOM 532 OD1 ASP A 57 1.345 -10.356 -3.091 1.00 46.18 O ATOM 533 OD2 ASP A 57 2.368 -12.220 -3.638 1.00 47.44 O ATOM 534 H ASP A 57 1.012 -12.866 0.967 1.00 0.00 H ATOM 535 N THR A 58 -1.551 -10.724 -1.181 1.00 42.86 N ATOM 536 CA THR A 58 -2.911 -10.954 -1.662 1.00 42.80 C ATOM 537 C THR A 58 -2.969 -10.985 -3.190 1.00 43.63 C ATOM 538 O THR A 58 -2.185 -10.321 -3.865 1.00 43.02 O ATOM 539 CB THR A 58 -3.882 -9.867 -1.152 1.00 42.11 C ATOM 540 OG1 THR A 58 -3.467 -8.580 -1.626 1.00 41.18 O ATOM 541 CG2 THR A 58 -3.934 -9.852 0.373 1.00 41.68 C ATOM 542 HG1 THR A 58 -2.555 -8.386 -1.294 1.00 0.00 H ATOM 543 H THR A 58 -1.291 -9.775 -0.843 1.00 0.00 H ATOM 544 N ALA A 59 -3.902 -11.763 -3.727 1.00 45.16 N ATOM 545 CA ALA A 59 -4.101 -11.843 -5.176 1.00 46.27 C ATOM 546 C ALA A 59 -5.570 -12.057 -5.586 1.00 46.56 C ATOM 547 O ALA A 59 -5.859 -12.325 -6.752 1.00 47.83 O ATOM 548 CB ALA A 59 -3.200 -12.931 -5.758 1.00 46.03 C ATOM 549 H ALA A 59 -4.508 -12.331 -3.101 1.00 0.00 H ATOM 550 N GLY A 60 -6.503 -11.911 -4.648 1.00 46.39 N ATOM 551 CA GLY A 60 -7.916 -12.118 -4.970 1.00 47.39 C ATOM 552 C GLY A 60 -8.295 -13.581 -5.105 1.00 49.03 C ATOM 553 O GLY A 60 -9.307 -13.901 -5.726 1.00 48.43 O ATOM 554 H GLY A 60 -6.227 -11.648 -3.680 1.00 0.00 H ATOM 555 N GLN A 61 -7.491 -14.462 -4.511 1.00 51.29 N ATOM 556 CA GLN A 61 -7.629 -15.903 -4.693 1.00 53.33 C ATOM 557 C GLN A 61 -7.781 -16.615 -3.352 1.00 55.45 C ATOM 558 O GLN A 61 -6.996 -17.502 -3.016 1.00 56.82 O ATOM 559 CB GLN A 61 -6.405 -16.446 -5.439 1.00 54.51 C ATOM 560 CG GLN A 61 -6.214 -15.874 -6.840 1.00 54.83 C ATOM 561 CD GLN A 61 -7.278 -16.313 -7.830 1.00 55.09 C ATOM 562 OE1 GLN A 61 -7.681 -15.541 -8.699 1.00 55.69 O ATOM 563 NE2 GLN A 61 -7.731 -17.554 -7.712 1.00 55.94 N ATOM 564 HE22 GLN A 61 -7.362 -18.173 -6.962 1.00 0.00 H ATOM 565 HE21 GLN A 61 -8.455 -17.908 -8.369 1.00 0.00 H ATOM 566 H GLN A 61 -6.734 -14.108 -3.892 1.00 0.00 H ATOM 567 N GLU A 62 -8.805 -16.233 -2.594 1.00 57.64 N ATOM 568 CA GLU A 62 -9.059 -16.838 -1.285 1.00 59.43 C ATOM 569 C GLU A 62 -9.699 -18.215 -1.462 1.00 60.79 C ATOM 570 O GLU A 62 -10.365 -18.468 -2.467 1.00 60.42 O ATOM 571 CB GLU A 62 -9.980 -15.958 -0.430 1.00 59.73 C ATOM 572 CG GLU A 62 -9.428 -14.580 -0.078 1.00 60.05 C ATOM 573 CD GLU A 62 -9.573 -13.557 -1.196 1.00 60.39 C ATOM 574 OE1 GLU A 62 -9.126 -12.411 -1.007 1.00 59.35 O ATOM 575 OE2 GLU A 62 -10.130 -13.887 -2.266 1.00 60.40 O ATOM 576 H GLU A 62 -9.441 -15.486 -2.940 1.00 0.00 H ATOM 577 N GLU A 63 -9.501 -19.095 -0.482 1.00 62.90 N ATOM 578 CA GLU A 63 -10.143 -20.413 -0.491 1.00 64.50 C ATOM 579 C GLU A 63 -11.652 -20.232 -0.379 1.00 64.36 C ATOM 580 O GLU A 63 -12.416 -20.767 -1.185 1.00 64.15 O ATOM 581 CB GLU A 63 -9.650 -21.283 0.669 1.00 66.40 C ATOM 582 CG GLU A 63 -8.161 -21.592 0.664 1.00 67.66 C ATOM 583 CD GLU A 63 -7.762 -22.506 1.809 1.00 69.19 C ATOM 584 OE1 GLU A 63 -7.191 -22.003 2.804 1.00 69.35 O ATOM 585 OE2 GLU A 63 -8.033 -23.723 1.721 1.00 68.46 O ATOM 586 H GLU A 63 -8.876 -18.841 0.309 1.00 0.00 H ATOM 587 N TYR A 64 -12.061 -19.473 0.636 1.00 63.39 N ATOM 588 CA TYR A 64 -13.451 -19.082 0.833 1.00 62.98 C ATOM 589 C TYR A 64 -13.531 -17.558 0.848 1.00 62.31 C ATOM 590 O TYR A 64 -12.574 -16.887 1.232 1.00 62.27 O ATOM 591 CB TYR A 64 -13.981 -19.654 2.149 1.00 62.98 C ATOM 592 H TYR A 64 -11.353 -19.143 1.322 1.00 0.00 H ATOM 593 N SER A 65 -14.673 -17.015 0.436 1.00 62.04 N ATOM 594 CA SER A 65 -14.858 -15.561 0.362 1.00 62.03 C ATOM 595 C SER A 65 -14.775 -14.866 1.726 1.00 61.21 C ATOM 596 O SER A 65 -14.462 -13.677 1.802 1.00 61.87 O ATOM 597 CB SER A 65 -16.198 -15.234 -0.298 1.00 62.41 C ATOM 598 OG SER A 65 -16.224 -15.688 -1.639 1.00 63.90 O ATOM 599 HG SER A 65 -17.099 -15.466 -2.045 1.00 0.00 H ATOM 600 H SER A 65 -15.458 -17.639 0.158 1.00 0.00 H ATOM 601 N ALA A 66 -15.052 -15.612 2.793 1.00 60.05 N ATOM 602 CA ALA A 66 -14.980 -15.087 4.156 1.00 60.32 C ATOM 603 C ALA A 66 -13.559 -14.747 4.623 1.00 60.36 C ATOM 604 O ALA A 66 -13.394 -14.011 5.597 1.00 59.52 O ATOM 605 CB ALA A 66 -15.615 -16.075 5.121 1.00 59.80 C ATOM 606 H ALA A 66 -15.330 -16.604 2.652 1.00 0.00 H ATOM 607 N MET A 67 -12.544 -15.285 3.946 1.00 61.31 N ATOM 608 CA MET A 67 -11.146 -15.028 4.316 1.00 63.15 C ATOM 609 C MET A 67 -10.655 -13.614 3.987 1.00 61.15 C ATOM 610 O MET A 67 -9.643 -13.185 4.532 1.00 61.36 O ATOM 611 CB MET A 67 -10.209 -16.070 3.684 1.00 66.38 C ATOM 612 CG MET A 67 -10.089 -17.353 4.496 1.00 69.07 C ATOM 613 SD MET A 67 -9.258 -18.699 3.627 1.00 74.86 S ATOM 614 CE MET A 67 -7.734 -17.912 3.109 1.00 72.21 C ATOM 615 H MET A 67 -12.748 -15.903 3.135 1.00 0.00 H ATOM 616 N ARG A 68 -11.352 -12.892 3.109 1.00 59.92 N ATOM 617 CA ARG A 68 -11.019 -11.483 2.855 1.00 58.62 C ATOM 618 C ARG A 68 -11.046 -10.672 4.144 1.00 57.92 C ATOM 619 O ARG A 68 -10.091 -9.968 4.461 1.00 57.74 O ATOM 620 CB ARG A 68 -11.986 -10.832 1.860 1.00 58.51 C ATOM 621 CG ARG A 68 -11.576 -10.936 0.398 1.00 58.81 C ATOM 622 CD ARG A 68 -11.603 -9.585 -0.307 1.00 58.97 C ATOM 623 NE ARG A 68 -12.270 -9.635 -1.608 1.00 59.38 N ATOM 624 CZ ARG A 68 -11.795 -10.241 -2.695 1.00 60.17 C ATOM 625 NH1 ARG A 68 -12.497 -10.212 -3.823 1.00 60.60 N ATOM 626 NH2 ARG A 68 -10.630 -10.880 -2.671 1.00 60.91 N ATOM 627 HE ARG A 68 -13.191 -9.158 -1.691 1.00 0.00 H ATOM 628 HH12 ARG A 68 -12.132 -10.683 -4.675 1.00 0.00 H ATOM 629 HH11 ARG A 68 -13.412 -9.718 -3.854 1.00 0.00 H ATOM 630 HH22 ARG A 68 -10.275 -11.347 -3.530 1.00 0.00 H ATOM 631 HH21 ARG A 68 -10.073 -10.913 -1.793 1.00 0.00 H ATOM 632 H ARG A 68 -12.143 -13.332 2.596 1.00 0.00 H ATOM 633 N ASP A 69 -12.152 -10.771 4.872 1.00 58.00 N ATOM 634 CA ASP A 69 -12.326 -10.028 6.117 1.00 58.96 C ATOM 635 C ASP A 69 -11.411 -10.535 7.234 1.00 58.39 C ATOM 636 O ASP A 69 -11.051 -9.770 8.129 1.00 57.54 O ATOM 637 CB ASP A 69 -13.793 -10.064 6.567 1.00 60.14 C ATOM 638 CG ASP A 69 -14.706 -9.220 5.678 1.00 62.08 C ATOM 639 OD1 ASP A 69 -14.200 -8.512 4.776 1.00 62.20 O ATOM 640 OD2 ASP A 69 -15.939 -9.258 5.889 1.00 62.90 O ATOM 641 H ASP A 69 -12.917 -11.396 4.546 1.00 0.00 H ATOM 642 N GLN A 70 -11.036 -11.811 7.151 1.00 58.64 N ATOM 643 CA GLN A 70 -10.120 -12.404 8.156 1.00 59.75 C ATOM 644 C GLN A 70 -8.722 -11.846 7.890 1.00 58.17 C ATOM 645 O GLN A 70 -7.989 -11.607 8.858 1.00 56.72 O ATOM 646 CB GLN A 70 -10.140 -13.929 8.082 1.00 61.83 C ATOM 647 CG GLN A 70 -9.175 -14.591 9.052 1.00 64.79 C ATOM 648 CD GLN A 70 -7.899 -15.027 8.374 1.00 66.66 C ATOM 649 OE1 GLN A 70 -7.881 -15.331 7.186 1.00 68.36 O ATOM 650 NE2 GLN A 70 -6.814 -15.058 9.130 1.00 67.60 N ATOM 651 HE22 GLN A 70 -6.872 -14.792 10.134 1.00 0.00 H ATOM 652 HE21 GLN A 70 -5.903 -15.348 8.721 1.00 0.00 H ATOM 653 H GLN A 70 -11.391 -12.400 6.370 1.00 0.00 H ATOM 654 N TYR A 71 -8.379 -11.653 6.613 1.00 56.58 N ATOM 655 CA TYR A 71 -7.079 -11.081 6.274 1.00 55.09 C ATOM 656 C TYR A 71 -6.940 -9.690 6.843 1.00 54.26 C ATOM 657 O TYR A 71 -5.907 -9.354 7.419 1.00 53.34 O ATOM 658 CB TYR A 71 -6.890 -10.967 4.767 1.00 55.00 C ATOM 659 CG TYR A 71 -6.649 -12.246 4.001 1.00 54.88 C ATOM 660 CD1 TYR A 71 -6.356 -13.458 4.639 1.00 55.01 C ATOM 661 CD2 TYR A 71 -6.674 -12.226 2.615 1.00 54.66 C ATOM 662 CE1 TYR A 71 -6.124 -14.610 3.903 1.00 54.78 C ATOM 663 CE2 TYR A 71 -6.442 -13.367 1.874 1.00 54.76 C ATOM 664 CZ TYR A 71 -6.166 -14.557 2.519 1.00 54.78 C ATOM 665 OH TYR A 71 -5.931 -15.695 1.782 1.00 55.04 O ATOM 666 HH TYR A 71 -5.147 -15.550 1.195 1.00 0.00 H ATOM 667 H TYR A 71 -9.043 -11.912 5.855 1.00 0.00 H ATOM 668 N MET A 72 -7.974 -8.879 6.644 1.00 52.81 N ATOM 669 CA MET A 72 -7.992 -7.528 7.168 1.00 53.50 C ATOM 670 C MET A 72 -7.996 -7.571 8.689 1.00 53.11 C ATOM 671 O MET A 72 -7.088 -7.044 9.324 1.00 54.86 O ATOM 672 CB MET A 72 -9.201 -6.742 6.652 1.00 53.90 C ATOM 673 CG MET A 72 -9.238 -6.564 5.136 1.00 53.84 C ATOM 674 SD MET A 72 -10.531 -5.458 4.536 1.00 53.62 S ATOM 675 CE MET A 72 -10.100 -5.337 2.811 1.00 54.48 C ATOM 676 H MET A 72 -8.790 -9.222 6.099 1.00 0.00 H ATOM 677 N ARG A 73 -8.996 -8.221 9.274 1.00 52.82 N ATOM 678 CA ARG A 73 -9.103 -8.262 10.736 1.00 52.64 C ATOM 679 C ARG A 73 -7.871 -8.790 11.497 1.00 50.78 C ATOM 680 O ARG A 73 -7.574 -8.295 12.586 1.00 50.50 O ATOM 681 CB ARG A 73 -10.389 -8.951 11.215 1.00 54.08 C ATOM 682 CG ARG A 73 -11.640 -8.109 11.019 1.00 56.08 C ATOM 683 CD ARG A 73 -12.876 -8.746 11.644 1.00 57.69 C ATOM 684 NE ARG A 73 -13.640 -9.572 10.707 1.00 58.74 N ATOM 685 CZ ARG A 73 -13.481 -10.883 10.516 1.00 59.91 C ATOM 686 NH1 ARG A 73 -14.249 -11.508 9.630 1.00 60.19 N ATOM 687 NH2 ARG A 73 -12.566 -11.578 11.188 1.00 60.76 N ATOM 688 HE ARG A 73 -14.370 -9.095 10.141 1.00 0.00 H ATOM 689 HH12 ARG A 73 -14.135 -12.530 9.472 1.00 0.00 H ATOM 690 HH11 ARG A 73 -14.964 -10.976 9.095 1.00 0.00 H ATOM 691 HH22 ARG A 73 -12.462 -12.599 11.021 1.00 0.00 H ATOM 692 HH21 ARG A 73 -11.955 -11.100 11.880 1.00 0.00 H ATOM 693 H ARG A 73 -9.708 -8.704 8.691 1.00 0.00 H ATOM 694 N THR A 74 -7.158 -9.767 10.938 1.00 49.56 N ATOM 695 CA THR A 74 -5.956 -10.309 11.585 1.00 48.99 C ATOM 696 C THR A 74 -4.661 -9.579 11.216 1.00 48.40 C ATOM 697 O THR A 74 -3.646 -9.764 11.885 1.00 48.98 O ATOM 698 CB THR A 74 -5.771 -11.808 11.271 1.00 49.65 C ATOM 699 OG1 THR A 74 -5.608 -11.997 9.861 1.00 50.94 O ATOM 700 CG2 THR A 74 -6.972 -12.605 11.765 1.00 49.79 C ATOM 701 HG1 THR A 74 -6.411 -11.662 9.389 1.00 0.00 H ATOM 702 H THR A 74 -7.460 -10.155 10.022 1.00 0.00 H ATOM 703 N GLY A 75 -4.692 -8.761 10.163 1.00 46.74 N ATOM 704 CA GLY A 75 -3.518 -8.005 9.727 1.00 46.12 C ATOM 705 C GLY A 75 -3.322 -6.799 10.621 1.00 45.29 C ATOM 706 O GLY A 75 -4.284 -6.109 10.948 1.00 43.95 O ATOM 707 H GLY A 75 -5.581 -8.657 9.634 1.00 0.00 H ATOM 708 N GLU A 76 -2.077 -6.551 11.020 1.00 44.00 N ATOM 709 CA GLU A 76 -1.748 -5.426 11.900 1.00 43.22 C ATOM 710 C GLU A 76 -1.377 -4.168 11.119 1.00 41.60 C ATOM 711 O GLU A 76 -1.582 -3.058 11.601 1.00 42.37 O ATOM 712 CB GLU A 76 -0.594 -5.804 12.828 1.00 43.90 C ATOM 713 CG GLU A 76 -0.966 -6.807 13.902 1.00 44.87 C ATOM 714 CD GLU A 76 0.245 -7.319 14.655 1.00 46.21 C ATOM 715 OE1 GLU A 76 0.950 -8.192 14.111 1.00 45.73 O ATOM 716 OE2 GLU A 76 0.485 -6.856 15.793 1.00 47.63 O ATOM 717 H GLU A 76 -1.312 -7.176 10.697 1.00 0.00 H ATOM 718 N GLY A 77 -0.814 -4.347 9.927 1.00 40.06 N ATOM 719 CA GLY A 77 -0.456 -3.227 9.062 1.00 38.71 C ATOM 720 C GLY A 77 -0.648 -3.581 7.604 1.00 37.76 C ATOM 721 O GLY A 77 -0.568 -4.752 7.222 1.00 36.51 O ATOM 722 H GLY A 77 -0.623 -5.316 9.601 1.00 0.00 H ATOM 723 N PHE A 78 -0.893 -2.563 6.786 1.00 37.49 N ATOM 724 CA PHE A 78 -1.281 -2.775 5.398 1.00 38.00 C ATOM 725 C PHE A 78 -0.448 -1.946 4.433 1.00 37.49 C ATOM 726 O PHE A 78 -0.291 -0.740 4.609 1.00 37.17 O ATOM 727 CB PHE A 78 -2.764 -2.453 5.218 1.00 38.16 C ATOM 728 CG PHE A 78 -3.674 -3.360 5.992 1.00 38.96 C ATOM 729 CD1 PHE A 78 -3.863 -3.175 7.357 1.00 38.73 C ATOM 730 CD2 PHE A 78 -4.347 -4.397 5.357 1.00 39.19 C ATOM 731 CE1 PHE A 78 -4.696 -4.010 8.072 1.00 38.71 C ATOM 732 CE2 PHE A 78 -5.186 -5.233 6.067 1.00 39.49 C ATOM 733 CZ PHE A 78 -5.360 -5.039 7.428 1.00 39.64 C ATOM 734 H PHE A 78 -0.806 -1.591 7.145 1.00 0.00 H ATOM 735 N LEU A 79 0.075 -2.608 3.407 1.00 37.33 N ATOM 736 CA LEU A 79 0.865 -1.952 2.379 1.00 37.67 C ATOM 737 C LEU A 79 -0.048 -1.664 1.191 1.00 36.88 C ATOM 738 O LEU A 79 -0.460 -2.576 0.474 1.00 36.81 O ATOM 739 CB LEU A 79 2.041 -2.843 1.965 1.00 38.54 C ATOM 740 CG LEU A 79 3.329 -2.118 1.574 1.00 39.74 C ATOM 741 CD1 LEU A 79 4.033 -1.578 2.813 1.00 40.44 C ATOM 742 CD2 LEU A 79 4.253 -3.043 0.798 1.00 39.56 C ATOM 743 H LEU A 79 -0.087 -3.633 3.337 1.00 0.00 H ATOM 744 N LEU A 80 -0.381 -0.391 1.007 1.00 36.62 N ATOM 745 CA LEU A 80 -1.241 0.033 -0.090 1.00 36.69 C ATOM 746 C LEU A 80 -0.369 0.293 -1.311 1.00 35.65 C ATOM 747 O LEU A 80 0.304 1.321 -1.395 1.00 34.85 O ATOM 748 CB LEU A 80 -2.022 1.294 0.297 1.00 37.38 C ATOM 749 CG LEU A 80 -2.846 1.233 1.591 1.00 37.80 C ATOM 750 CD1 LEU A 80 -3.520 2.574 1.844 1.00 37.82 C ATOM 751 CD2 LEU A 80 -3.877 0.114 1.536 1.00 38.05 C ATOM 752 H LEU A 80 -0.016 0.325 1.667 1.00 0.00 H ATOM 753 N VAL A 81 -0.382 -0.646 -2.253 1.00 35.16 N ATOM 754 CA VAL A 81 0.531 -0.613 -3.393 1.00 35.12 C ATOM 755 C VAL A 81 -0.192 -0.230 -4.683 1.00 34.94 C ATOM 756 O VAL A 81 -1.194 -0.844 -5.051 1.00 35.08 O ATOM 757 CB VAL A 81 1.222 -1.981 -3.594 1.00 34.81 C ATOM 758 CG1 VAL A 81 2.248 -1.909 -4.720 1.00 35.29 C ATOM 759 CG2 VAL A 81 1.888 -2.434 -2.302 1.00 34.73 C ATOM 760 H VAL A 81 -1.063 -1.428 -2.176 1.00 0.00 H ATOM 761 N PHE A 82 0.324 0.792 -5.361 1.00 34.96 N ATOM 762 CA PHE A 82 -0.099 1.119 -6.723 1.00 34.78 C ATOM 763 C PHE A 82 1.129 1.199 -7.626 1.00 34.24 C ATOM 764 O PHE A 82 2.262 1.182 -7.144 1.00 34.70 O ATOM 765 CB PHE A 82 -0.901 2.431 -6.753 1.00 34.88 C ATOM 766 CG PHE A 82 -0.063 3.673 -6.589 1.00 34.57 C ATOM 767 CD1 PHE A 82 0.263 4.151 -5.323 1.00 34.29 C ATOM 768 CD2 PHE A 82 0.383 4.375 -7.702 1.00 33.77 C ATOM 769 CE1 PHE A 82 1.032 5.297 -5.173 1.00 34.01 C ATOM 770 CE2 PHE A 82 1.150 5.520 -7.558 1.00 34.17 C ATOM 771 CZ PHE A 82 1.477 5.982 -6.291 1.00 33.83 C ATOM 772 H PHE A 82 1.053 1.379 -4.907 1.00 0.00 H ATOM 773 N ALA A 83 0.893 1.272 -8.933 1.00 34.60 N ATOM 774 CA ALA A 83 1.964 1.416 -9.920 1.00 34.53 C ATOM 775 C ALA A 83 1.949 2.822 -10.508 1.00 35.67 C ATOM 776 O ALA A 83 0.887 3.353 -10.852 1.00 34.81 O ATOM 777 CB ALA A 83 1.812 0.381 -11.021 1.00 34.45 C ATOM 778 H ALA A 83 -0.091 1.225 -9.267 1.00 0.00 H ATOM 779 N ILE A 84 3.135 3.415 -10.638 1.00 37.35 N ATOM 780 CA ILE A 84 3.268 4.802 -11.103 1.00 38.23 C ATOM 781 C ILE A 84 2.905 5.008 -12.581 1.00 39.17 C ATOM 782 O ILE A 84 2.688 6.143 -13.007 1.00 39.35 O ATOM 783 CB ILE A 84 4.686 5.368 -10.848 1.00 38.60 C ATOM 784 CG1 ILE A 84 5.756 4.547 -11.582 1.00 39.61 C ATOM 785 CG2 ILE A 84 4.968 5.412 -9.351 1.00 38.89 C ATOM 786 CD1 ILE A 84 6.589 5.341 -12.565 1.00 39.77 C ATOM 787 H ILE A 84 3.994 2.879 -10.403 1.00 0.00 H ATOM 788 N ASN A 85 2.846 3.919 -13.350 1.00 40.60 N ATOM 789 CA ASN A 85 2.409 3.960 -14.755 1.00 41.51 C ATOM 790 C ASN A 85 0.945 3.549 -14.969 1.00 42.42 C ATOM 791 O ASN A 85 0.478 3.494 -16.109 1.00 42.56 O ATOM 792 CB ASN A 85 3.318 3.075 -15.618 1.00 41.75 C ATOM 793 CG ASN A 85 3.221 1.602 -15.261 1.00 42.10 C ATOM 794 OD1 ASN A 85 2.825 1.240 -14.150 1.00 43.15 O ATOM 795 ND2 ASN A 85 3.607 0.743 -16.195 1.00 42.43 N ATOM 796 HD22 ASN A 85 3.934 1.091 -17.119 1.00 0.00 H ATOM 797 HD21 ASN A 85 3.583 -0.279 -16.004 1.00 0.00 H ATOM 798 H ASN A 85 3.120 3.004 -12.940 1.00 0.00 H ATOM 799 N ASN A 86 0.230 3.276 -13.876 1.00 42.74 N ATOM 800 CA ASN A 86 -1.142 2.767 -13.932 1.00 43.58 C ATOM 801 C ASN A 86 -2.067 3.651 -13.097 1.00 43.94 C ATOM 802 O ASN A 86 -2.149 3.506 -11.879 1.00 44.21 O ATOM 803 CB ASN A 86 -1.166 1.315 -13.434 1.00 43.47 C ATOM 804 CG ASN A 86 -2.520 0.641 -13.592 1.00 43.70 C ATOM 805 OD1 ASN A 86 -3.572 1.263 -13.446 1.00 44.26 O ATOM 806 ND2 ASN A 86 -2.493 -0.656 -13.861 1.00 44.40 N ATOM 807 HD22 ASN A 86 -1.582 -1.144 -13.977 1.00 0.00 H ATOM 808 HD21 ASN A 86 -3.383 -1.186 -13.956 1.00 0.00 H ATOM 809 H ASN A 86 0.666 3.431 -12.945 1.00 0.00 H ATOM 810 N THR A 87 -2.766 4.562 -13.768 1.00 44.84 N ATOM 811 CA THR A 87 -3.647 5.526 -13.108 1.00 45.11 C ATOM 812 C THR A 87 -4.798 4.845 -12.363 1.00 44.22 C ATOM 813 O THR A 87 -5.227 5.320 -11.311 1.00 42.72 O ATOM 814 CB THR A 87 -4.221 6.516 -14.155 1.00 45.03 C ATOM 815 OG1 THR A 87 -3.224 7.485 -14.488 1.00 45.57 O ATOM 816 CG2 THR A 87 -5.484 7.246 -13.665 1.00 45.78 C ATOM 817 HG1 THR A 87 -2.432 7.026 -14.865 1.00 0.00 H ATOM 818 H THR A 87 -2.683 4.590 -14.804 1.00 0.00 H ATOM 819 N LYS A 88 -5.287 3.738 -12.917 1.00 43.41 N ATOM 820 CA LYS A 88 -6.425 3.014 -12.347 1.00 43.69 C ATOM 821 C LYS A 88 -6.079 2.377 -10.994 1.00 41.54 C ATOM 822 O LYS A 88 -6.913 2.344 -10.090 1.00 40.11 O ATOM 823 CB LYS A 88 -6.951 1.978 -13.361 1.00 45.05 C ATOM 824 CG LYS A 88 -7.315 0.606 -12.807 1.00 47.23 C ATOM 825 CD LYS A 88 -8.735 0.560 -12.264 1.00 48.80 C ATOM 826 CE LYS A 88 -9.142 -0.842 -11.826 1.00 50.38 C ATOM 827 NZ LYS A 88 -10.444 -0.855 -11.097 1.00 51.43 N ATOM 828 HZ1 LYS A 88 -10.370 -0.261 -10.246 1.00 0.00 H ATOM 829 HZ2 LYS A 88 -11.191 -0.482 -11.717 1.00 0.00 H ATOM 830 HZ3 LYS A 88 -10.676 -1.831 -10.821 1.00 0.00 H ATOM 831 H LYS A 88 -4.845 3.374 -13.785 1.00 0.00 H ATOM 832 N SER A 89 -4.848 1.886 -10.865 1.00 40.03 N ATOM 833 CA SER A 89 -4.376 1.287 -9.619 1.00 39.35 C ATOM 834 C SER A 89 -4.233 2.338 -8.517 1.00 40.11 C ATOM 835 O SER A 89 -4.457 2.044 -7.343 1.00 39.31 O ATOM 836 CB SER A 89 -3.042 0.574 -9.837 1.00 38.52 C ATOM 837 OG SER A 89 -2.014 1.496 -10.149 1.00 38.19 O ATOM 838 HG SER A 89 -2.251 1.985 -10.977 1.00 0.00 H ATOM 839 H SER A 89 -4.201 1.930 -11.678 1.00 0.00 H ATOM 840 N PHE A 90 -3.856 3.555 -8.902 1.00 41.18 N ATOM 841 CA PHE A 90 -3.765 4.671 -7.962 1.00 43.04 C ATOM 842 C PHE A 90 -5.149 5.054 -7.445 1.00 43.83 C ATOM 843 O PHE A 90 -5.332 5.268 -6.247 1.00 43.25 O ATOM 844 CB PHE A 90 -3.094 5.879 -8.624 1.00 42.99 C ATOM 845 CG PHE A 90 -3.011 7.093 -7.740 1.00 43.33 C ATOM 846 CD1 PHE A 90 -2.237 7.074 -6.587 1.00 43.85 C ATOM 847 CD2 PHE A 90 -3.696 8.258 -8.065 1.00 43.73 C ATOM 848 CE1 PHE A 90 -2.154 8.190 -5.771 1.00 43.92 C ATOM 849 CE2 PHE A 90 -3.616 9.377 -7.251 1.00 44.24 C ATOM 850 CZ PHE A 90 -2.843 9.343 -6.103 1.00 44.10 C ATOM 851 H PHE A 90 -3.619 3.717 -9.902 1.00 0.00 H ATOM 852 N GLU A 91 -6.118 5.122 -8.354 1.00 45.15 N ATOM 853 CA GLU A 91 -7.497 5.453 -7.994 1.00 46.40 C ATOM 854 C GLU A 91 -8.160 4.387 -7.124 1.00 46.08 C ATOM 855 O GLU A 91 -9.069 4.702 -6.361 1.00 46.54 O ATOM 856 CB GLU A 91 -8.338 5.685 -9.249 1.00 47.49 C ATOM 857 CG GLU A 91 -7.945 6.933 -10.023 1.00 48.95 C ATOM 858 CD GLU A 91 -8.636 7.031 -11.370 1.00 50.64 C ATOM 859 OE1 GLU A 91 -9.618 6.294 -11.602 1.00 52.16 O ATOM 860 OE2 GLU A 91 -8.197 7.852 -12.202 1.00 52.81 O ATOM 861 H GLU A 91 -5.888 4.934 -9.351 1.00 0.00 H ATOM 862 N ASP A 92 -7.713 3.135 -7.244 1.00 45.37 N ATOM 863 CA ASP A 92 -8.221 2.048 -6.402 1.00 45.18 C ATOM 864 C ASP A 92 -7.809 2.184 -4.933 1.00 43.52 C ATOM 865 O ASP A 92 -8.437 1.590 -4.063 1.00 42.57 O ATOM 866 CB ASP A 92 -7.755 0.678 -6.923 1.00 46.66 C ATOM 867 CG ASP A 92 -8.505 0.224 -8.171 1.00 49.03 C ATOM 868 OD1 ASP A 92 -9.463 0.906 -8.601 1.00 49.80 O ATOM 869 OD2 ASP A 92 -8.132 -0.839 -8.719 1.00 51.38 O ATOM 870 H ASP A 92 -6.984 2.925 -7.955 1.00 0.00 H ATOM 871 N ILE A 93 -6.759 2.958 -4.665 1.00 42.99 N ATOM 872 CA ILE A 93 -6.176 3.052 -3.322 1.00 42.72 C ATOM 873 C ILE A 93 -7.194 3.452 -2.260 1.00 42.79 C ATOM 874 O ILE A 93 -7.244 2.841 -1.191 1.00 40.73 O ATOM 875 CB ILE A 93 -4.983 4.040 -3.288 1.00 42.11 C ATOM 876 CG1 ILE A 93 -3.790 3.479 -4.079 1.00 41.44 C ATOM 877 CG2 ILE A 93 -4.565 4.358 -1.854 1.00 42.61 C ATOM 878 CD1 ILE A 93 -3.195 2.199 -3.525 1.00 40.85 C ATOM 879 H ILE A 93 -6.337 3.516 -5.435 1.00 0.00 H ATOM 880 N HIS A 94 -8.000 4.470 -2.553 1.00 44.38 N ATOM 881 CA HIS A 94 -8.982 4.956 -1.581 1.00 45.89 C ATOM 882 C HIS A 94 -10.061 3.918 -1.275 1.00 45.10 C ATOM 883 O HIS A 94 -10.594 3.893 -0.171 1.00 45.42 O ATOM 884 CB HIS A 94 -9.586 6.307 -2.006 1.00 47.02 C ATOM 885 CG HIS A 94 -10.573 6.229 -3.129 1.00 48.79 C ATOM 886 ND1 HIS A 94 -10.199 6.254 -4.456 1.00 49.83 N ATOM 887 CD2 HIS A 94 -11.926 6.178 -3.120 1.00 49.25 C ATOM 888 CE1 HIS A 94 -11.279 6.199 -5.216 1.00 49.60 C ATOM 889 NE2 HIS A 94 -12.339 6.151 -4.430 1.00 50.01 N ATOM 890 H HIS A 94 -7.932 4.927 -3.485 1.00 0.00 H ATOM 891 N HIS A 95 -10.351 3.041 -2.235 1.00 44.66 N ATOM 892 CA HIS A 95 -11.298 1.950 -2.013 1.00 44.10 C ATOM 893 C HIS A 95 -10.743 0.919 -1.031 1.00 43.75 C ATOM 894 O HIS A 95 -11.471 0.424 -0.172 1.00 43.53 O ATOM 895 CB HIS A 95 -11.652 1.250 -3.328 1.00 44.51 C ATOM 896 CG HIS A 95 -12.366 2.122 -4.313 1.00 44.81 C ATOM 897 ND1 HIS A 95 -13.567 2.736 -4.031 1.00 45.24 N ATOM 898 CD2 HIS A 95 -12.061 2.462 -5.587 1.00 45.05 C ATOM 899 CE1 HIS A 95 -13.965 3.427 -5.085 1.00 45.47 C ATOM 900 NE2 HIS A 95 -13.069 3.277 -6.044 1.00 45.21 N ATOM 901 H HIS A 95 -9.893 3.135 -3.164 1.00 0.00 H ATOM 902 N TYR A 96 -9.462 0.585 -1.178 1.00 43.66 N ATOM 903 CA TYR A 96 -8.803 -0.374 -0.286 1.00 43.88 C ATOM 904 C TYR A 96 -8.742 0.153 1.149 1.00 45.14 C ATOM 905 O TYR A 96 -9.019 -0.589 2.091 1.00 44.58 O ATOM 906 CB TYR A 96 -7.389 -0.730 -0.785 1.00 42.67 C ATOM 907 CG TYR A 96 -7.365 -1.697 -1.951 1.00 42.11 C ATOM 908 CD1 TYR A 96 -7.591 -3.058 -1.759 1.00 42.22 C ATOM 909 CD2 TYR A 96 -7.110 -1.255 -3.246 1.00 41.93 C ATOM 910 CE1 TYR A 96 -7.571 -3.946 -2.826 1.00 42.08 C ATOM 911 CE2 TYR A 96 -7.087 -2.134 -4.317 1.00 41.61 C ATOM 912 CZ TYR A 96 -7.319 -3.476 -4.103 1.00 41.59 C ATOM 913 OH TYR A 96 -7.299 -4.350 -5.169 1.00 42.52 O ATOM 914 HH TYR A 96 -7.483 -5.267 -4.846 1.00 0.00 H ATOM 915 H TYR A 96 -8.913 1.017 -1.948 1.00 0.00 H ATOM 916 N ARG A 97 -8.391 1.428 1.312 1.00 45.84 N ATOM 917 CA ARG A 97 -8.255 2.015 2.646 1.00 47.33 C ATOM 918 C ARG A 97 -9.573 2.040 3.420 1.00 48.22 C ATOM 919 O ARG A 97 -9.593 1.745 4.616 1.00 46.79 O ATOM 920 CB ARG A 97 -7.681 3.432 2.572 1.00 47.95 C ATOM 921 CG ARG A 97 -7.580 4.109 3.935 1.00 49.25 C ATOM 922 CD ARG A 97 -6.792 5.398 3.868 1.00 49.76 C ATOM 923 NE ARG A 97 -6.955 6.206 5.080 1.00 51.07 N ATOM 924 CZ ARG A 97 -6.269 6.044 6.212 1.00 51.63 C ATOM 925 NH1 ARG A 97 -5.355 5.086 6.330 1.00 51.94 N ATOM 926 NH2 ARG A 97 -6.500 6.853 7.241 1.00 51.57 N ATOM 927 HE ARG A 97 -7.663 6.967 5.055 1.00 0.00 H ATOM 928 HH12 ARG A 97 -4.830 4.975 7.221 1.00 0.00 H ATOM 929 HH11 ARG A 97 -5.165 4.447 5.531 1.00 0.00 H ATOM 930 HH22 ARG A 97 -5.969 6.732 8.127 1.00 0.00 H ATOM 931 HH21 ARG A 97 -7.212 7.607 7.160 1.00 0.00 H ATOM 932 H ARG A 97 -8.210 2.018 0.475 1.00 0.00 H ATOM 933 N GLU A 98 -10.662 2.395 2.740 1.00 50.59 N ATOM 934 CA GLU A 98 -11.977 2.464 3.382 1.00 51.52 C ATOM 935 C GLU A 98 -12.449 1.088 3.830 1.00 49.73 C ATOM 936 O GLU A 98 -12.943 0.947 4.946 1.00 49.63 O ATOM 937 CB GLU A 98 -13.023 3.099 2.455 1.00 53.76 C ATOM 938 CG GLU A 98 -12.756 4.555 2.094 1.00 56.08 C ATOM 939 CD GLU A 98 -12.476 5.430 3.304 1.00 58.83 C ATOM 940 OE1 GLU A 98 -13.225 5.333 4.302 1.00 61.56 O ATOM 941 OE2 GLU A 98 -11.504 6.216 3.255 1.00 59.92 O ATOM 942 H GLU A 98 -10.577 2.629 1.730 1.00 0.00 H ATOM 943 N GLN A 99 -12.294 0.081 2.970 1.00 48.71 N ATOM 944 CA GLN A 99 -12.667 -1.294 3.340 1.00 48.61 C ATOM 945 C GLN A 99 -11.849 -1.796 4.529 1.00 47.82 C ATOM 946 O GLN A 99 -12.388 -2.451 5.417 1.00 46.63 O ATOM 947 CB GLN A 99 -12.554 -2.298 2.173 1.00 49.45 C ATOM 948 CG GLN A 99 -13.890 -2.634 1.525 1.00 51.62 C ATOM 949 CD GLN A 99 -14.965 -3.060 2.517 1.00 52.85 C ATOM 950 OE1 GLN A 99 -15.786 -2.245 2.936 1.00 53.93 O ATOM 951 NE2 GLN A 99 -14.964 -4.335 2.901 1.00 53.36 N ATOM 952 HE22 GLN A 99 -14.252 -4.992 2.522 1.00 0.00 H ATOM 953 HE21 GLN A 99 -15.675 -4.674 3.580 1.00 0.00 H ATOM 954 H GLN A 99 -11.904 0.270 2.024 1.00 0.00 H ATOM 955 N ILE A 100 -10.551 -1.500 4.539 1.00 47.39 N ATOM 956 CA ILE A 100 -9.694 -1.905 5.651 1.00 47.71 C ATOM 957 C ILE A 100 -10.230 -1.268 6.935 1.00 48.64 C ATOM 958 O ILE A 100 -10.486 -1.961 7.911 1.00 47.51 O ATOM 959 CB ILE A 100 -8.215 -1.512 5.418 1.00 47.03 C ATOM 960 CG1 ILE A 100 -7.602 -2.345 4.284 1.00 46.92 C ATOM 961 CG2 ILE A 100 -7.392 -1.720 6.684 1.00 46.93 C ATOM 962 CD1 ILE A 100 -6.396 -1.695 3.631 1.00 47.34 C ATOM 963 H ILE A 100 -10.140 -0.972 3.743 1.00 0.00 H ATOM 964 N LYS A 101 -10.409 0.049 6.914 1.00 50.12 N ATOM 965 CA LYS A 101 -11.013 0.773 8.038 1.00 51.55 C ATOM 966 C LYS A 101 -12.341 0.173 8.484 1.00 51.01 C ATOM 967 O LYS A 101 -12.559 -0.071 9.673 1.00 51.00 O ATOM 968 CB LYS A 101 -11.264 2.230 7.658 1.00 51.80 C ATOM 969 CG LYS A 101 -10.033 3.109 7.705 1.00 52.35 C ATOM 970 CD LYS A 101 -10.384 4.532 7.301 1.00 53.56 C ATOM 971 CE LYS A 101 -9.500 5.541 8.011 1.00 54.35 C ATOM 972 NZ LYS A 101 -9.816 6.940 7.611 1.00 55.32 N ATOM 973 HZ1 LYS A 101 -9.673 7.047 6.586 1.00 0.00 H ATOM 974 HZ2 LYS A 101 -10.806 7.152 7.848 1.00 0.00 H ATOM 975 HZ3 LYS A 101 -9.189 7.595 8.120 1.00 0.00 H ATOM 976 H LYS A 101 -10.111 0.584 6.073 1.00 0.00 H ATOM 977 N ARG A 102 -13.219 -0.058 7.513 1.00 50.60 N ATOM 978 CA ARG A 102 -14.590 -0.470 7.790 1.00 50.67 C ATOM 979 C ARG A 102 -14.618 -1.791 8.541 1.00 51.09 C ATOM 980 O ARG A 102 -15.227 -1.894 9.602 1.00 50.86 O ATOM 981 CB ARG A 102 -15.393 -0.606 6.496 1.00 50.55 C ATOM 982 CG ARG A 102 -16.883 -0.670 6.749 1.00 50.51 C ATOM 983 CD ARG A 102 -17.690 -0.627 5.478 1.00 50.64 C ATOM 984 NE ARG A 102 -17.831 0.726 4.940 1.00 51.04 N ATOM 985 CZ ARG A 102 -17.279 1.172 3.810 1.00 51.66 C ATOM 986 NH1 ARG A 102 -17.491 2.428 3.439 1.00 51.72 N ATOM 987 NH2 ARG A 102 -16.519 0.390 3.042 1.00 52.17 N ATOM 988 HE ARG A 102 -18.410 1.397 5.484 1.00 0.00 H ATOM 989 HH12 ARG A 102 -17.067 2.789 2.561 1.00 0.00 H ATOM 990 HH11 ARG A 102 -18.081 3.051 4.026 1.00 0.00 H ATOM 991 HH22 ARG A 102 -16.103 0.767 2.167 1.00 0.00 H ATOM 992 HH21 ARG A 102 -16.343 -0.597 3.318 1.00 0.00 H ATOM 993 H ARG A 102 -12.918 0.059 6.524 1.00 0.00 H ATOM 994 N VAL A 103 -13.944 -2.795 7.988 1.00 51.99 N ATOM 995 CA VAL A 103 -13.968 -4.141 8.562 1.00 52.72 C ATOM 996 C VAL A 103 -13.137 -4.233 9.848 1.00 54.70 C ATOM 997 O VAL A 103 -13.429 -5.063 10.709 1.00 56.46 O ATOM 998 CB VAL A 103 -13.509 -5.226 7.558 1.00 52.34 C ATOM 999 CG1 VAL A 103 -14.290 -5.129 6.248 1.00 51.76 C ATOM 1000 CG2 VAL A 103 -12.008 -5.161 7.322 1.00 53.19 C ATOM 1001 H VAL A 103 -13.387 -2.620 7.128 1.00 0.00 H ATOM 1002 N LYS A 104 -12.107 -3.392 9.967 1.00 56.10 N ATOM 1003 CA LYS A 104 -11.317 -3.296 11.203 1.00 56.75 C ATOM 1004 C LYS A 104 -12.061 -2.591 12.330 1.00 57.62 C ATOM 1005 O LYS A 104 -11.720 -2.767 13.505 1.00 56.75 O ATOM 1006 CB LYS A 104 -10.009 -2.535 10.956 1.00 57.18 C ATOM 1007 CG LYS A 104 -9.021 -3.278 10.078 1.00 57.21 C ATOM 1008 CD LYS A 104 -8.272 -4.377 10.821 1.00 58.09 C ATOM 1009 CE LYS A 104 -7.188 -3.823 11.735 1.00 58.19 C ATOM 1010 NZ LYS A 104 -6.482 -4.904 12.477 1.00 58.21 N ATOM 1011 HZ1 LYS A 104 -7.166 -5.426 13.061 1.00 0.00 H ATOM 1012 HZ2 LYS A 104 -6.036 -5.554 11.799 1.00 0.00 H ATOM 1013 HZ3 LYS A 104 -5.752 -4.484 13.088 1.00 0.00 H ATOM 1014 H LYS A 104 -11.856 -2.786 9.160 1.00 0.00 H ATOM 1015 N ASP A 105 -13.052 -1.779 11.962 1.00 59.82 N ATOM 1016 CA ASP A 105 -13.787 -0.941 12.902 1.00 61.63 C ATOM 1017 C ASP A 105 -12.819 -0.024 13.648 1.00 62.20 C ATOM 1018 O ASP A 105 -12.723 -0.065 14.874 1.00 62.04 O ATOM 1019 CB ASP A 105 -14.623 -1.798 13.866 1.00 62.93 C ATOM 1020 CG ASP A 105 -15.515 -0.964 14.773 1.00 64.56 C ATOM 1021 OD1 ASP A 105 -16.185 -0.034 14.272 1.00 63.17 O ATOM 1022 OD2 ASP A 105 -15.538 -1.235 15.993 1.00 65.44 O ATOM 1023 H ASP A 105 -13.313 -1.741 10.956 1.00 0.00 H ATOM 1024 N SER A 106 -12.093 0.790 12.884 1.00 63.53 N ATOM 1025 CA SER A 106 -11.110 1.716 13.434 1.00 64.69 C ATOM 1026 C SER A 106 -10.722 2.779 12.408 1.00 66.03 C ATOM 1027 O SER A 106 -10.674 2.515 11.201 1.00 66.38 O ATOM 1028 CB SER A 106 -9.856 0.965 13.891 1.00 65.74 C ATOM 1029 OG SER A 106 -8.851 1.873 14.325 1.00 67.15 O ATOM 1030 HG SER A 106 -9.196 2.408 15.083 1.00 0.00 H ATOM 1031 H SER A 106 -12.233 0.764 11.854 1.00 0.00 H ATOM 1032 N GLU A 107 -10.437 3.980 12.904 1.00 66.83 N ATOM 1033 CA GLU A 107 -9.992 5.090 12.061 1.00 68.66 C ATOM 1034 C GLU A 107 -8.467 5.123 11.940 1.00 67.74 C ATOM 1035 O GLU A 107 -7.932 5.525 10.901 1.00 69.03 O ATOM 1036 CB GLU A 107 -10.511 6.428 12.602 1.00 71.81 C ATOM 1037 CG GLU A 107 -11.985 6.692 12.323 1.00 73.57 C ATOM 1038 CD GLU A 107 -12.921 5.680 12.961 1.00 75.59 C ATOM 1039 OE1 GLU A 107 -13.641 4.977 12.218 1.00 78.28 O ATOM 1040 OE2 GLU A 107 -12.937 5.584 14.206 1.00 76.67 O ATOM 1041 H GLU A 107 -10.534 4.136 13.928 1.00 0.00 H ATOM 1042 N ASP A 108 -7.775 4.709 13.003 1.00 65.24 N ATOM 1043 CA ASP A 108 -6.315 4.648 13.006 1.00 64.03 C ATOM 1044 C ASP A 108 -5.830 3.214 12.787 1.00 60.17 C ATOM 1045 O ASP A 108 -5.814 2.401 13.721 1.00 60.71 O ATOM 1046 CB ASP A 108 -5.769 5.201 14.330 1.00 65.85 C ATOM 1047 CG ASP A 108 -4.249 5.361 14.330 1.00 68.24 C ATOM 1048 OD1 ASP A 108 -3.608 5.201 13.267 1.00 68.09 O ATOM 1049 OD2 ASP A 108 -3.692 5.657 15.409 1.00 70.72 O ATOM 1050 H ASP A 108 -8.292 4.420 13.858 1.00 0.00 H ATOM 1051 N VAL A 109 -5.439 2.920 11.546 1.00 55.29 N ATOM 1052 CA VAL A 109 -4.858 1.633 11.180 1.00 51.99 C ATOM 1053 C VAL A 109 -3.491 1.879 10.521 1.00 48.53 C ATOM 1054 O VAL A 109 -3.379 2.713 9.622 1.00 48.48 O ATOM 1055 CB VAL A 109 -5.770 0.858 10.206 1.00 52.26 C ATOM 1056 CG1 VAL A 109 -5.171 -0.505 9.876 1.00 52.42 C ATOM 1057 CG2 VAL A 109 -7.169 0.704 10.793 1.00 52.43 C ATOM 1058 H VAL A 109 -5.554 3.641 10.806 1.00 0.00 H ATOM 1059 N PRO A 110 -2.443 1.169 10.977 1.00 45.28 N ATOM 1060 CA PRO A 110 -1.112 1.272 10.366 1.00 43.51 C ATOM 1061 C PRO A 110 -1.092 0.971 8.858 1.00 41.71 C ATOM 1062 O PRO A 110 -1.408 -0.144 8.440 1.00 41.03 O ATOM 1063 CB PRO A 110 -0.298 0.225 11.124 1.00 43.62 C ATOM 1064 CG PRO A 110 -0.965 0.107 12.448 1.00 44.47 C ATOM 1065 CD PRO A 110 -2.420 0.381 12.223 1.00 45.10 C ATOM 1066 N MET A 111 -0.737 1.972 8.058 1.00 39.72 N ATOM 1067 CA MET A 111 -0.619 1.806 6.610 1.00 38.61 C ATOM 1068 C MET A 111 0.537 2.620 6.046 1.00 37.22 C ATOM 1069 O MET A 111 0.928 3.643 6.610 1.00 37.60 O ATOM 1070 CB MET A 111 -1.903 2.244 5.908 1.00 38.67 C ATOM 1071 CG MET A 111 -3.154 1.504 6.341 1.00 39.07 C ATOM 1072 SD MET A 111 -4.573 2.009 5.363 1.00 39.31 S ATOM 1073 CE MET A 111 -5.924 1.430 6.390 1.00 39.76 C ATOM 1074 H MET A 111 -0.537 2.903 8.476 1.00 0.00 H ATOM 1075 N VAL A 112 1.072 2.149 4.926 1.00 35.55 N ATOM 1076 CA VAL A 112 2.041 2.900 4.142 1.00 34.60 C ATOM 1077 C VAL A 112 1.593 2.857 2.686 1.00 34.23 C ATOM 1078 O VAL A 112 1.253 1.793 2.162 1.00 34.10 O ATOM 1079 CB VAL A 112 3.464 2.316 4.283 1.00 34.04 C ATOM 1080 CG1 VAL A 112 4.408 2.904 3.243 1.00 33.89 C ATOM 1081 CG2 VAL A 112 3.998 2.559 5.687 1.00 33.97 C ATOM 1082 H VAL A 112 0.787 1.205 4.596 1.00 0.00 H ATOM 1083 N LEU A 113 1.572 4.019 2.044 1.00 34.45 N ATOM 1084 CA LEU A 113 1.282 4.100 0.618 1.00 34.63 C ATOM 1085 C LEU A 113 2.570 3.835 -0.147 1.00 35.21 C ATOM 1086 O LEU A 113 3.607 4.436 0.143 1.00 35.63 O ATOM 1087 CB LEU A 113 0.730 5.480 0.256 1.00 34.44 C ATOM 1088 CG LEU A 113 0.398 5.726 -1.220 1.00 33.75 C ATOM 1089 CD1 LEU A 113 -0.745 4.837 -1.678 1.00 33.52 C ATOM 1090 CD2 LEU A 113 0.059 7.190 -1.439 1.00 33.71 C ATOM 1091 H LEU A 113 1.767 4.893 2.572 1.00 0.00 H ATOM 1092 N VAL A 114 2.499 2.932 -1.120 1.00 35.47 N ATOM 1093 CA VAL A 114 3.659 2.556 -1.915 1.00 35.43 C ATOM 1094 C VAL A 114 3.385 2.765 -3.405 1.00 35.34 C ATOM 1095 O VAL A 114 2.442 2.202 -3.956 1.00 34.48 O ATOM 1096 CB VAL A 114 4.049 1.088 -1.657 1.00 35.69 C ATOM 1097 CG1 VAL A 114 5.196 0.659 -2.566 1.00 35.65 C ATOM 1098 CG2 VAL A 114 4.421 0.899 -0.191 1.00 36.37 C ATOM 1099 H VAL A 114 1.584 2.479 -1.320 1.00 0.00 H ATOM 1100 N GLY A 115 4.220 3.583 -4.043 1.00 35.92 N ATOM 1101 CA GLY A 115 4.167 3.798 -5.485 1.00 36.14 C ATOM 1102 C GLY A 115 5.270 3.010 -6.160 1.00 36.93 C ATOM 1103 O GLY A 115 6.429 3.426 -6.151 1.00 37.55 O ATOM 1104 H GLY A 115 4.940 4.090 -3.490 1.00 0.00 H ATOM 1105 N ASN A 116 4.904 1.871 -6.745 1.00 36.83 N ATOM 1106 CA ASN A 116 5.875 0.934 -7.302 1.00 36.60 C ATOM 1107 C ASN A 116 6.184 1.185 -8.783 1.00 37.08 C ATOM 1108 O ASN A 116 5.428 1.867 -9.477 1.00 36.78 O ATOM 1109 CB ASN A 116 5.360 -0.496 -7.109 1.00 36.10 C ATOM 1110 CG ASN A 116 6.448 -1.537 -7.271 1.00 35.43 C ATOM 1111 OD1 ASN A 116 7.601 -1.307 -6.910 1.00 35.55 O ATOM 1112 ND2 ASN A 116 6.087 -2.688 -7.818 1.00 35.25 N ATOM 1113 HD22 ASN A 116 5.100 -2.839 -8.108 1.00 0.00 H ATOM 1114 HD21 ASN A 116 6.791 -3.441 -7.957 1.00 0.00 H ATOM 1115 H ASN A 116 3.892 1.641 -6.807 1.00 0.00 H ATOM 1116 N LYS A 117 7.306 0.626 -9.241 1.00 36.84 N ATOM 1117 CA LYS A 117 7.770 0.700 -10.638 1.00 37.44 C ATOM 1118 C LYS A 117 8.370 2.065 -10.987 1.00 38.18 C ATOM 1119 O LYS A 117 8.205 2.554 -12.106 1.00 38.66 O ATOM 1120 CB LYS A 117 6.662 0.331 -11.640 1.00 36.64 C ATOM 1121 CG LYS A 117 5.895 -0.940 -11.302 1.00 36.44 C ATOM 1122 CD LYS A 117 5.152 -1.485 -12.515 1.00 35.86 C ATOM 1123 CE LYS A 117 4.245 -2.643 -12.129 1.00 36.16 C ATOM 1124 NZ LYS A 117 3.657 -3.323 -13.315 1.00 36.16 N ATOM 1125 HZ1 LYS A 117 3.093 -2.640 -13.860 1.00 0.00 H ATOM 1126 HZ2 LYS A 117 4.421 -3.698 -13.912 1.00 0.00 H ATOM 1127 HZ3 LYS A 117 3.047 -4.104 -12.999 1.00 0.00 H ATOM 1128 H LYS A 117 7.895 0.101 -8.564 1.00 0.00 H ATOM 1129 N SER A 118 9.082 2.663 -10.033 1.00 38.69 N ATOM 1130 CA SER A 118 9.709 3.974 -10.229 1.00 39.65 C ATOM 1131 C SER A 118 10.727 3.983 -11.374 1.00 40.36 C ATOM 1132 O SER A 118 10.965 5.019 -11.988 1.00 40.71 O ATOM 1133 CB SER A 118 10.394 4.430 -8.939 1.00 39.30 C ATOM 1134 OG SER A 118 11.471 3.576 -8.614 1.00 38.87 O ATOM 1135 HG SER A 118 11.133 2.654 -8.488 1.00 0.00 H ATOM 1136 H SER A 118 9.197 2.183 -9.117 1.00 0.00 H ATOM 1137 N ASP A 119 11.330 2.828 -11.640 1.00 41.18 N ATOM 1138 CA ASP A 119 12.305 2.675 -12.724 1.00 42.34 C ATOM 1139 C ASP A 119 11.746 2.909 -14.131 1.00 43.58 C ATOM 1140 O ASP A 119 12.507 3.227 -15.047 1.00 43.99 O ATOM 1141 CB ASP A 119 12.934 1.279 -12.677 1.00 41.85 C ATOM 1142 CG ASP A 119 11.909 0.171 -12.816 1.00 41.30 C ATOM 1143 OD1 ASP A 119 11.145 -0.052 -11.854 1.00 41.29 O ATOM 1144 OD2 ASP A 119 11.863 -0.479 -13.880 1.00 41.09 O ATOM 1145 H ASP A 119 11.100 1.999 -11.055 1.00 0.00 H ATOM 1146 N LEU A 120 10.439 2.730 -14.311 1.00 44.77 N ATOM 1147 CA LEU A 120 9.828 2.872 -15.633 1.00 46.28 C ATOM 1148 C LEU A 120 9.846 4.325 -16.098 1.00 47.76 C ATOM 1149 O LEU A 120 9.695 5.238 -15.280 1.00 48.45 O ATOM 1150 CB LEU A 120 8.393 2.334 -15.638 1.00 45.59 C ATOM 1151 CG LEU A 120 8.241 0.817 -15.524 1.00 46.12 C ATOM 1152 CD1 LEU A 120 6.767 0.447 -15.484 1.00 46.39 C ATOM 1153 CD2 LEU A 120 8.944 0.101 -16.671 1.00 45.93 C ATOM 1154 H LEU A 120 9.841 2.485 -13.496 1.00 0.00 H ATOM 1155 N PRO A 121 10.036 4.541 -17.413 1.00 49.35 N ATOM 1156 CA PRO A 121 10.076 5.893 -17.966 1.00 50.71 C ATOM 1157 C PRO A 121 8.695 6.529 -18.115 1.00 51.52 C ATOM 1158 O PRO A 121 8.537 7.732 -17.864 1.00 53.32 O ATOM 1159 CB PRO A 121 10.724 5.691 -19.340 1.00 50.38 C ATOM 1160 CG PRO A 121 10.364 4.302 -19.729 1.00 50.14 C ATOM 1161 CD PRO A 121 10.269 3.514 -18.450 1.00 50.10 C ATOM 1162 N SER A 122 7.707 5.730 -18.514 1.00 51.71 N ATOM 1163 CA SER A 122 6.357 6.227 -18.710 1.00 51.92 C ATOM 1164 C SER A 122 5.669 6.268 -17.365 1.00 51.39 C ATOM 1165 O SER A 122 5.388 5.220 -16.799 1.00 52.97 O ATOM 1166 CB SER A 122 5.586 5.311 -19.656 1.00 52.40 C ATOM 1167 OG SER A 122 5.424 4.010 -19.109 1.00 53.41 O ATOM 1168 HG SER A 122 4.924 4.072 -18.257 1.00 0.00 H ATOM 1169 H SER A 122 7.908 4.725 -18.690 1.00 0.00 H ATOM 1170 N ARG A 123 5.439 7.464 -16.829 1.00 50.45 N ATOM 1171 CA ARG A 123 4.653 7.593 -15.601 1.00 49.50 C ATOM 1172 C ARG A 123 3.428 8.500 -15.788 1.00 48.76 C ATOM 1173 O ARG A 123 3.483 9.520 -16.487 1.00 49.43 O ATOM 1174 CB ARG A 123 5.538 8.006 -14.416 1.00 49.14 C ATOM 1175 CG ARG A 123 5.639 9.481 -14.124 1.00 49.04 C ATOM 1176 CD ARG A 123 6.615 9.684 -12.978 1.00 49.05 C ATOM 1177 NE ARG A 123 6.032 9.514 -11.641 1.00 49.38 N ATOM 1178 CZ ARG A 123 6.632 8.937 -10.595 1.00 49.19 C ATOM 1179 NH1 ARG A 123 7.845 8.397 -10.696 1.00 48.01 N ATOM 1180 NH2 ARG A 123 5.997 8.880 -9.424 1.00 49.26 N ATOM 1181 HE ARG A 123 5.067 9.874 -11.495 1.00 0.00 H ATOM 1182 HH12 ARG A 123 8.288 7.955 -9.866 1.00 0.00 H ATOM 1183 HH11 ARG A 123 8.349 8.418 -11.605 1.00 0.00 H ATOM 1184 HH22 ARG A 123 6.456 8.433 -8.605 1.00 0.00 H ATOM 1185 HH21 ARG A 123 5.043 9.283 -9.330 1.00 0.00 H ATOM 1186 H ARG A 123 5.822 8.316 -17.287 1.00 0.00 H ATOM 1187 N THR A 124 2.318 8.076 -15.190 1.00 47.63 N ATOM 1188 CA THR A 124 1.051 8.801 -15.243 1.00 47.65 C ATOM 1189 C THR A 124 0.642 9.383 -13.884 1.00 47.19 C ATOM 1190 O THR A 124 -0.190 10.286 -13.833 1.00 47.52 O ATOM 1191 CB THR A 124 -0.083 7.890 -15.752 1.00 49.23 C ATOM 1192 OG1 THR A 124 -0.196 6.736 -14.908 1.00 48.92 O ATOM 1193 CG2 THR A 124 0.193 7.439 -17.185 1.00 50.18 C ATOM 1194 HG1 THR A 124 -0.926 6.156 -15.241 1.00 0.00 H ATOM 1195 H THR A 124 2.354 7.183 -14.658 1.00 0.00 H ATOM 1196 N VAL A 125 1.206 8.860 -12.794 1.00 46.50 N ATOM 1197 CA VAL A 125 0.955 9.388 -11.451 1.00 46.33 C ATOM 1198 C VAL A 125 2.226 10.047 -10.922 1.00 46.73 C ATOM 1199 O VAL A 125 3.278 9.413 -10.878 1.00 47.62 O ATOM 1200 CB VAL A 125 0.529 8.277 -10.468 1.00 46.32 C ATOM 1201 CG1 VAL A 125 0.136 8.871 -9.122 1.00 45.81 C ATOM 1202 CG2 VAL A 125 -0.620 7.456 -11.041 1.00 46.66 C ATOM 1203 H VAL A 125 1.847 8.048 -12.902 1.00 0.00 H ATOM 1204 N ASP A 126 2.126 11.314 -10.526 1.00 46.23 N ATOM 1205 CA ASP A 126 3.268 12.051 -9.976 1.00 47.21 C ATOM 1206 C ASP A 126 3.371 11.880 -8.460 1.00 46.95 C ATOM 1207 O ASP A 126 2.365 11.638 -7.782 1.00 47.01 O ATOM 1208 CB ASP A 126 3.158 13.538 -10.315 1.00 48.53 C ATOM 1209 CG ASP A 126 3.280 13.814 -11.806 1.00 50.02 C ATOM 1210 OD1 ASP A 126 3.982 13.061 -12.519 1.00 49.80 O ATOM 1211 OD2 ASP A 126 2.676 14.805 -12.275 1.00 52.39 O ATOM 1212 H ASP A 126 1.208 11.797 -10.609 1.00 0.00 H ATOM 1213 N THR A 127 4.593 12.015 -7.943 1.00 45.61 N ATOM 1214 CA THR A 127 4.856 11.930 -6.499 1.00 45.16 C ATOM 1215 C THR A 127 3.982 12.872 -5.679 1.00 44.51 C ATOM 1216 O THR A 127 3.524 12.510 -4.600 1.00 42.61 O ATOM 1217 CB THR A 127 6.335 12.224 -6.133 1.00 45.29 C ATOM 1218 OG1 THR A 127 6.846 13.267 -6.971 1.00 47.81 O ATOM 1219 CG2 THR A 127 7.199 10.980 -6.281 1.00 45.16 C ATOM 1220 HG1 THR A 127 7.789 13.449 -6.732 1.00 0.00 H ATOM 1221 H THR A 127 5.391 12.187 -8.587 1.00 0.00 H ATOM 1222 N LYS A 128 3.762 14.079 -6.193 1.00 45.60 N ATOM 1223 CA LYS A 128 2.962 15.082 -5.492 1.00 46.14 C ATOM 1224 C LYS A 128 1.535 14.599 -5.246 1.00 44.90 C ATOM 1225 O LYS A 128 0.993 14.799 -4.161 1.00 45.14 O ATOM 1226 CB LYS A 128 2.942 16.397 -6.271 1.00 47.77 C ATOM 1227 CG LYS A 128 2.225 17.523 -5.547 1.00 49.54 C ATOM 1228 CD LYS A 128 2.345 18.818 -6.310 1.00 51.02 C ATOM 1229 CE LYS A 128 1.494 18.826 -7.566 1.00 50.83 C ATOM 1230 NZ LYS A 128 0.023 18.824 -7.319 1.00 51.58 N ATOM 1231 HZ1 LYS A 128 -0.236 17.971 -6.784 1.00 0.00 H ATOM 1232 HZ2 LYS A 128 -0.237 19.670 -6.773 1.00 0.00 H ATOM 1233 HZ3 LYS A 128 -0.480 18.830 -8.229 1.00 0.00 H ATOM 1234 H LYS A 128 4.171 14.316 -7.120 1.00 0.00 H ATOM 1235 N GLN A 129 0.934 13.974 -6.257 1.00 44.33 N ATOM 1236 CA GLN A 129 -0.413 13.409 -6.126 1.00 44.34 C ATOM 1237 C GLN A 129 -0.438 12.382 -4.999 1.00 43.65 C ATOM 1238 O GLN A 129 -1.304 12.425 -4.122 1.00 43.17 O ATOM 1239 CB GLN A 129 -0.865 12.735 -7.429 1.00 45.02 C ATOM 1240 CG GLN A 129 -1.008 13.664 -8.627 1.00 46.19 C ATOM 1241 CD GLN A 129 -1.347 12.911 -9.904 1.00 47.00 C ATOM 1242 OE1 GLN A 129 -0.518 12.792 -10.808 1.00 47.28 O ATOM 1243 NE2 GLN A 129 -2.568 12.387 -9.979 1.00 47.74 N ATOM 1244 HE22 GLN A 129 -3.237 12.512 -9.192 1.00 0.00 H ATOM 1245 HE21 GLN A 129 -2.854 11.853 -10.824 1.00 0.00 H ATOM 1246 H GLN A 129 1.434 13.884 -7.165 1.00 0.00 H ATOM 1247 N ALA A 130 0.524 11.462 -5.037 1.00 42.88 N ATOM 1248 CA ALA A 130 0.610 10.379 -4.064 1.00 42.65 C ATOM 1249 C ALA A 130 0.913 10.897 -2.660 1.00 41.95 C ATOM 1250 O ALA A 130 0.354 10.402 -1.685 1.00 41.84 O ATOM 1251 CB ALA A 130 1.663 9.372 -4.493 1.00 42.57 C ATOM 1252 H ALA A 130 1.241 11.518 -5.789 1.00 0.00 H ATOM 1253 N GLN A 131 1.792 11.895 -2.569 1.00 41.82 N ATOM 1254 CA GLN A 131 2.113 12.532 -1.287 1.00 41.89 C ATOM 1255 C GLN A 131 0.914 13.275 -0.697 1.00 42.12 C ATOM 1256 O GLN A 131 0.661 13.190 0.505 1.00 42.75 O ATOM 1257 CB GLN A 131 3.309 13.480 -1.426 1.00 41.99 C ATOM 1258 CG GLN A 131 4.644 12.757 -1.478 1.00 42.79 C ATOM 1259 CD GLN A 131 5.831 13.698 -1.561 1.00 43.15 C ATOM 1260 OE1 GLN A 131 5.677 14.905 -1.761 1.00 43.05 O ATOM 1261 NE2 GLN A 131 7.030 13.143 -1.413 1.00 43.33 N ATOM 1262 HE22 GLN A 131 7.112 12.120 -1.246 1.00 0.00 H ATOM 1263 HE21 GLN A 131 7.886 13.732 -1.464 1.00 0.00 H ATOM 1264 H GLN A 131 2.264 12.232 -3.432 1.00 0.00 H ATOM 1265 N ASP A 132 0.174 13.991 -1.540 1.00 41.60 N ATOM 1266 CA ASP A 132 -1.055 14.659 -1.096 1.00 42.05 C ATOM 1267 C ASP A 132 -2.107 13.656 -0.598 1.00 41.11 C ATOM 1268 O ASP A 132 -2.794 13.918 0.389 1.00 40.07 O ATOM 1269 CB ASP A 132 -1.641 15.531 -2.214 1.00 43.12 C ATOM 1270 CG ASP A 132 -0.839 16.814 -2.449 1.00 45.13 C ATOM 1271 OD1 ASP A 132 0.202 17.021 -1.788 1.00 46.38 O ATOM 1272 OD2 ASP A 132 -1.255 17.625 -3.304 1.00 47.42 O ATOM 1273 H ASP A 132 0.472 14.079 -2.532 1.00 0.00 H ATOM 1274 N LEU A 133 -2.226 12.514 -1.277 1.00 40.34 N ATOM 1275 CA LEU A 133 -3.147 11.453 -0.850 1.00 39.63 C ATOM 1276 C LEU A 133 -2.689 10.838 0.470 1.00 40.13 C ATOM 1277 O LEU A 133 -3.502 10.580 1.360 1.00 39.21 O ATOM 1278 CB LEU A 133 -3.257 10.363 -1.920 1.00 39.04 C ATOM 1279 CG LEU A 133 -4.245 9.225 -1.647 1.00 38.54 C ATOM 1280 CD1 LEU A 133 -5.667 9.753 -1.539 1.00 39.02 C ATOM 1281 CD2 LEU A 133 -4.150 8.165 -2.732 1.00 38.82 C ATOM 1282 H LEU A 133 -1.651 12.371 -2.132 1.00 0.00 H ATOM 1283 N ALA A 134 -1.383 10.610 0.581 1.00 40.43 N ATOM 1284 CA ALA A 134 -0.791 10.047 1.789 1.00 42.12 C ATOM 1285 C ALA A 134 -0.930 10.994 2.983 1.00 43.26 C ATOM 1286 O ALA A 134 -1.217 10.549 4.096 1.00 43.00 O ATOM 1287 CB ALA A 134 0.673 9.705 1.546 1.00 42.46 C ATOM 1288 H ALA A 134 -0.763 10.841 -0.221 1.00 0.00 H ATOM 1289 N ARG A 135 -0.727 12.291 2.747 1.00 45.56 N ATOM 1290 CA ARG A 135 -0.890 13.308 3.791 1.00 47.20 C ATOM 1291 C ARG A 135 -2.334 13.382 4.253 1.00 46.04 C ATOM 1292 O ARG A 135 -2.599 13.498 5.447 1.00 46.77 O ATOM 1293 CB ARG A 135 -0.507 14.711 3.291 1.00 49.74 C ATOM 1294 CG ARG A 135 -0.060 15.665 4.393 1.00 52.42 C ATOM 1295 CD ARG A 135 -1.203 16.556 4.856 1.00 54.30 C ATOM 1296 NE ARG A 135 -0.880 17.262 6.095 1.00 56.40 N ATOM 1297 CZ ARG A 135 -0.856 16.700 7.305 1.00 57.55 C ATOM 1298 NH1 ARG A 135 -0.546 17.437 8.365 1.00 57.85 N ATOM 1299 NH2 ARG A 135 -1.139 15.410 7.471 1.00 59.07 N ATOM 1300 HE ARG A 135 -0.653 18.275 6.028 1.00 0.00 H ATOM 1301 HH12 ARG A 135 -0.526 17.005 9.311 1.00 0.00 H ATOM 1302 HH11 ARG A 135 -0.324 18.446 8.250 1.00 0.00 H ATOM 1303 HH22 ARG A 135 -1.115 14.991 8.422 1.00 0.00 H ATOM 1304 HH21 ARG A 135 -1.384 14.822 6.649 1.00 0.00 H ATOM 1305 H ARG A 135 -0.444 12.591 1.792 1.00 0.00 H ATOM 1306 N SER A 136 -3.262 13.362 3.298 1.00 44.42 N ATOM 1307 CA SER A 136 -4.692 13.399 3.627 1.00 43.51 C ATOM 1308 C SER A 136 -5.100 12.246 4.540 1.00 43.83 C ATOM 1309 O SER A 136 -6.002 12.405 5.352 1.00 43.61 O ATOM 1310 CB SER A 136 -5.565 13.417 2.371 1.00 42.38 C ATOM 1311 OG SER A 136 -5.793 12.117 1.872 1.00 41.27 O ATOM 1312 HG SER A 136 -4.927 11.696 1.643 1.00 0.00 H ATOM 1313 H SER A 136 -2.968 13.319 2.301 1.00 0.00 H ATOM 1314 N TYR A 137 -4.442 11.096 4.398 1.00 44.42 N ATOM 1315 CA TYR A 137 -4.709 9.941 5.256 1.00 45.02 C ATOM 1316 C TYR A 137 -3.882 9.943 6.539 1.00 44.38 C ATOM 1317 O TYR A 137 -4.246 9.278 7.509 1.00 46.21 O ATOM 1318 CB TYR A 137 -4.449 8.636 4.499 1.00 45.43 C ATOM 1319 CG TYR A 137 -5.361 8.384 3.319 1.00 46.37 C ATOM 1320 CD1 TYR A 137 -6.708 8.749 3.350 1.00 46.38 C ATOM 1321 CD2 TYR A 137 -4.882 7.749 2.175 1.00 46.80 C ATOM 1322 CE1 TYR A 137 -7.537 8.506 2.270 1.00 46.93 C ATOM 1323 CE2 TYR A 137 -5.706 7.500 1.091 1.00 47.20 C ATOM 1324 CZ TYR A 137 -7.031 7.880 1.145 1.00 47.01 C ATOM 1325 OH TYR A 137 -7.850 7.636 0.074 1.00 48.13 O ATOM 1326 HH TYR A 137 -8.761 7.968 0.274 1.00 0.00 H ATOM 1327 H TYR A 137 -3.718 11.017 3.656 1.00 0.00 H ATOM 1328 N GLY A 138 -2.769 10.670 6.536 1.00 43.61 N ATOM 1329 CA GLY A 138 -1.889 10.749 7.698 1.00 42.84 C ATOM 1330 C GLY A 138 -0.935 9.574 7.770 1.00 42.29 C ATOM 1331 O GLY A 138 -0.635 9.073 8.858 1.00 41.69 O ATOM 1332 H GLY A 138 -2.517 11.200 5.677 1.00 0.00 H ATOM 1333 N ILE A 139 -0.452 9.140 6.606 1.00 41.66 N ATOM 1334 CA ILE A 139 0.461 8.003 6.514 1.00 40.18 C ATOM 1335 C ILE A 139 1.634 8.327 5.587 1.00 39.54 C ATOM 1336 O ILE A 139 1.537 9.241 4.769 1.00 40.08 O ATOM 1337 CB ILE A 139 -0.260 6.736 6.014 1.00 40.07 C ATOM 1338 CG1 ILE A 139 -0.894 6.971 4.638 1.00 39.74 C ATOM 1339 CG2 ILE A 139 -1.315 6.302 7.022 1.00 40.23 C ATOM 1340 CD1 ILE A 139 -1.402 5.711 3.972 1.00 38.84 C ATOM 1341 H ILE A 139 -0.735 9.628 5.732 1.00 0.00 H ATOM 1342 N PRO A 140 2.748 7.580 5.713 1.00 37.97 N ATOM 1343 CA PRO A 140 3.902 7.852 4.854 1.00 37.11 C ATOM 1344 C PRO A 140 3.706 7.390 3.411 1.00 36.89 C ATOM 1345 O PRO A 140 2.894 6.501 3.144 1.00 36.15 O ATOM 1346 CB PRO A 140 5.041 7.057 5.511 1.00 37.17 C ATOM 1347 CG PRO A 140 4.519 6.577 6.825 1.00 37.50 C ATOM 1348 CD PRO A 140 3.033 6.519 6.693 1.00 37.43 C ATOM 1349 N PHE A 141 4.447 8.011 2.497 1.00 36.30 N ATOM 1350 CA PHE A 141 4.520 7.567 1.114 1.00 36.30 C ATOM 1351 C PHE A 141 5.960 7.206 0.786 1.00 37.59 C ATOM 1352 O PHE A 141 6.869 8.012 0.988 1.00 37.55 O ATOM 1353 CB PHE A 141 4.042 8.654 0.156 1.00 35.90 C ATOM 1354 CG PHE A 141 4.313 8.340 -1.289 1.00 35.10 C ATOM 1355 CD1 PHE A 141 3.636 7.311 -1.923 1.00 35.14 C ATOM 1356 CD2 PHE A 141 5.258 9.059 -2.010 1.00 35.68 C ATOM 1357 CE1 PHE A 141 3.882 7.004 -3.252 1.00 34.90 C ATOM 1358 CE2 PHE A 141 5.511 8.760 -3.342 1.00 35.83 C ATOM 1359 CZ PHE A 141 4.821 7.730 -3.963 1.00 35.54 C ATOM 1360 H PHE A 141 4.996 8.847 2.783 1.00 0.00 H ATOM 1361 N ILE A 142 6.160 5.990 0.284 1.00 38.74 N ATOM 1362 CA ILE A 142 7.483 5.532 -0.129 1.00 39.42 C ATOM 1363 C ILE A 142 7.426 5.047 -1.569 1.00 39.62 C ATOM 1364 O ILE A 142 6.621 4.181 -1.903 1.00 39.89 O ATOM 1365 CB ILE A 142 7.980 4.399 0.778 1.00 39.86 C ATOM 1366 CG1 ILE A 142 7.992 4.875 2.232 1.00 40.84 C ATOM 1367 CG2 ILE A 142 9.400 4.009 0.437 1.00 40.00 C ATOM 1368 CD1 ILE A 142 8.084 3.755 3.235 1.00 41.17 C ATOM 1369 H ILE A 142 5.349 5.347 0.183 1.00 0.00 H ATOM 1370 N GLU A 143 8.281 5.613 -2.416 1.00 40.07 N ATOM 1371 CA GLU A 143 8.351 5.227 -3.820 1.00 40.17 C ATOM 1372 C GLU A 143 9.314 4.058 -3.970 1.00 39.15 C ATOM 1373 O GLU A 143 10.421 4.097 -3.438 1.00 38.89 O ATOM 1374 CB GLU A 143 8.808 6.410 -4.677 1.00 41.71 C ATOM 1375 CG GLU A 143 8.457 6.268 -6.147 1.00 43.25 C ATOM 1376 CD GLU A 143 8.739 7.529 -6.947 1.00 44.16 C ATOM 1377 OE1 GLU A 143 9.911 7.959 -7.018 1.00 44.78 O ATOM 1378 OE2 GLU A 143 7.782 8.088 -7.516 1.00 45.89 O ATOM 1379 H GLU A 143 8.920 6.355 -2.065 1.00 0.00 H ATOM 1380 N THR A 144 8.891 3.022 -4.692 1.00 38.57 N ATOM 1381 CA THR A 144 9.672 1.793 -4.795 1.00 38.51 C ATOM 1382 C THR A 144 9.891 1.317 -6.228 1.00 37.99 C ATOM 1383 O THR A 144 9.237 1.765 -7.169 1.00 37.31 O ATOM 1384 CB THR A 144 9.008 0.633 -4.020 1.00 38.46 C ATOM 1385 OG1 THR A 144 7.750 0.304 -4.620 1.00 39.02 O ATOM 1386 CG2 THR A 144 8.791 0.994 -2.556 1.00 38.83 C ATOM 1387 HG1 THR A 144 7.896 0.029 -5.560 1.00 0.00 H ATOM 1388 H THR A 144 7.983 3.090 -5.194 1.00 0.00 H ATOM 1389 N SER A 145 10.853 0.414 -6.368 1.00 38.31 N ATOM 1390 CA SER A 145 11.014 -0.394 -7.567 1.00 38.52 C ATOM 1391 C SER A 145 11.482 -1.773 -7.133 1.00 38.24 C ATOM 1392 O SER A 145 12.567 -1.915 -6.572 1.00 37.71 O ATOM 1393 CB SER A 145 12.024 0.227 -8.530 1.00 38.82 C ATOM 1394 OG SER A 145 12.299 -0.649 -9.614 1.00 39.13 O ATOM 1395 HG SER A 145 11.461 -0.834 -10.108 1.00 0.00 H ATOM 1396 H SER A 145 11.523 0.278 -5.584 1.00 0.00 H ATOM 1397 N ALA A 146 10.648 -2.779 -7.375 1.00 38.93 N ATOM 1398 CA ALA A 146 11.007 -4.166 -7.092 1.00 39.76 C ATOM 1399 C ALA A 146 12.096 -4.674 -8.037 1.00 41.20 C ATOM 1400 O ALA A 146 12.794 -5.636 -7.724 1.00 42.34 O ATOM 1401 CB ALA A 146 9.778 -5.056 -7.185 1.00 39.93 C ATOM 1402 H ALA A 146 9.712 -2.572 -7.778 1.00 0.00 H ATOM 1403 N LYS A 147 12.238 -4.038 -9.197 1.00 42.14 N ATOM 1404 CA LYS A 147 13.250 -4.437 -10.166 1.00 42.97 C ATOM 1405 C LYS A 147 14.653 -4.060 -9.690 1.00 42.63 C ATOM 1406 O LYS A 147 15.563 -4.888 -9.722 1.00 43.73 O ATOM 1407 CB LYS A 147 12.958 -3.807 -11.526 1.00 44.14 C ATOM 1408 CG LYS A 147 13.827 -4.335 -12.651 1.00 45.09 C ATOM 1409 CD LYS A 147 13.310 -3.866 -13.999 1.00 46.53 C ATOM 1410 CE LYS A 147 14.243 -4.283 -15.120 1.00 47.29 C ATOM 1411 NZ LYS A 147 13.879 -3.643 -16.413 1.00 48.59 N ATOM 1412 HZ1 LYS A 147 12.911 -3.919 -16.675 1.00 0.00 H ATOM 1413 HZ2 LYS A 147 13.931 -2.609 -16.313 1.00 0.00 H ATOM 1414 HZ3 LYS A 147 14.542 -3.955 -17.151 1.00 0.00 H ATOM 1415 H LYS A 147 11.612 -3.237 -9.417 1.00 0.00 H ATOM 1416 N THR A 148 14.819 -2.820 -9.241 1.00 42.49 N ATOM 1417 CA THR A 148 16.120 -2.334 -8.763 1.00 43.10 C ATOM 1418 C THR A 148 16.311 -2.506 -7.253 1.00 44.19 C ATOM 1419 O THR A 148 17.434 -2.405 -6.764 1.00 44.65 O ATOM 1420 CB THR A 148 16.317 -0.841 -9.087 1.00 42.73 C ATOM 1421 OG1 THR A 148 15.468 -0.047 -8.247 1.00 41.54 O ATOM 1422 CG2 THR A 148 16.010 -0.552 -10.556 1.00 42.63 C ATOM 1423 HG1 THR A 148 15.599 0.911 -8.459 1.00 0.00 H ATOM 1424 H THR A 148 14.003 -2.175 -9.228 1.00 0.00 H ATOM 1425 N ARG A 149 15.212 -2.748 -6.533 1.00 44.97 N ATOM 1426 CA ARG A 149 15.188 -2.855 -5.061 1.00 46.59 C ATOM 1427 C ARG A 149 15.195 -1.501 -4.335 1.00 46.07 C ATOM 1428 O ARG A 149 15.225 -1.456 -3.103 1.00 46.56 O ATOM 1429 CB ARG A 149 16.325 -3.747 -4.536 1.00 48.71 C ATOM 1430 CG ARG A 149 16.035 -4.374 -3.177 1.00 51.32 C ATOM 1431 CD ARG A 149 16.978 -5.525 -2.862 1.00 53.79 C ATOM 1432 NE ARG A 149 16.366 -6.485 -1.940 1.00 55.54 N ATOM 1433 CZ ARG A 149 16.418 -6.421 -0.609 1.00 55.84 C ATOM 1434 NH1 ARG A 149 17.063 -5.436 0.011 1.00 57.26 N ATOM 1435 NH2 ARG A 149 15.818 -7.358 0.115 1.00 55.31 N ATOM 1436 HE ARG A 149 15.847 -7.283 -2.359 1.00 0.00 H ATOM 1437 HH12 ARG A 149 17.091 -5.406 1.050 1.00 0.00 H ATOM 1438 HH11 ARG A 149 17.539 -4.696 -0.544 1.00 0.00 H ATOM 1439 HH22 ARG A 149 15.854 -7.315 1.154 1.00 0.00 H ATOM 1440 HH21 ARG A 149 15.312 -8.135 -0.356 1.00 0.00 H ATOM 1441 H ARG A 149 14.314 -2.869 -7.043 1.00 0.00 H ATOM 1442 N GLN A 150 15.125 -0.419 -5.107 1.00 44.91 N ATOM 1443 CA GLN A 150 15.110 0.955 -4.547 1.00 45.07 C ATOM 1444 C GLN A 150 13.883 1.147 -3.651 1.00 43.65 C ATOM 1445 O GLN A 150 12.765 0.926 -4.136 1.00 42.76 O ATOM 1446 CB GLN A 150 15.031 1.965 -5.691 1.00 46.31 C ATOM 1447 CG GLN A 150 15.918 3.184 -5.512 1.00 48.36 C ATOM 1448 CD GLN A 150 16.117 3.892 -6.829 1.00 49.86 C ATOM 1449 OE1 GLN A 150 15.915 3.320 -7.895 1.00 51.71 O ATOM 1450 NE2 GLN A 150 16.516 5.151 -6.764 1.00 49.46 N ATOM 1451 HE22 GLN A 150 16.676 5.599 -5.839 1.00 0.00 H ATOM 1452 HE21 GLN A 150 16.670 5.693 -7.638 1.00 0.00 H ATOM 1453 H GLN A 150 15.079 -0.541 -6.139 1.00 0.00 H ATOM 1454 N GLY A 151 14.101 1.522 -2.388 1.00 42.05 N ATOM 1455 CA GLY A 151 13.000 1.831 -1.471 1.00 41.09 C ATOM 1456 C GLY A 151 12.177 0.657 -0.956 1.00 40.48 C ATOM 1457 O GLY A 151 11.205 0.854 -0.219 1.00 40.94 O ATOM 1458 H GLY A 151 15.080 1.597 -2.045 1.00 0.00 H ATOM 1459 N VAL A 152 12.566 -0.563 -1.314 1.00 39.81 N ATOM 1460 CA VAL A 152 11.769 -1.746 -0.991 1.00 39.81 C ATOM 1461 C VAL A 152 11.854 -2.059 0.503 1.00 40.71 C ATOM 1462 O VAL A 152 10.830 -2.249 1.159 1.00 40.06 O ATOM 1463 CB VAL A 152 12.199 -2.967 -1.833 1.00 38.95 C ATOM 1464 CG1 VAL A 152 11.466 -4.224 -1.383 1.00 39.03 C ATOM 1465 CG2 VAL A 152 11.941 -2.708 -3.313 1.00 38.74 C ATOM 1466 H VAL A 152 13.458 -0.679 -1.836 1.00 0.00 H ATOM 1467 N ASP A 153 13.074 -2.062 1.040 1.00 42.23 N ATOM 1468 CA ASP A 153 13.279 -2.344 2.484 1.00 43.80 C ATOM 1469 C ASP A 153 12.682 -1.210 3.317 1.00 43.68 C ATOM 1470 O ASP A 153 12.148 -1.497 4.394 1.00 44.00 O ATOM 1471 CB ASP A 153 14.754 -2.569 2.811 1.00 45.03 C ATOM 1472 CG ASP A 153 15.345 -3.743 2.058 1.00 46.94 C ATOM 1473 OD1 ASP A 153 15.572 -3.597 0.852 1.00 48.75 O ATOM 1474 OD2 ASP A 153 15.559 -4.790 2.682 1.00 49.91 O ATOM 1475 H ASP A 153 13.898 -1.863 0.437 1.00 0.00 H ATOM 1476 N ASP A 154 12.768 0.024 2.817 1.00 43.93 N ATOM 1477 CA ASP A 154 12.243 1.184 3.536 1.00 43.57 C ATOM 1478 C ASP A 154 10.721 1.086 3.664 1.00 42.36 C ATOM 1479 O ASP A 154 10.160 1.443 4.700 1.00 42.72 O ATOM 1480 CB ASP A 154 12.664 2.491 2.846 1.00 45.39 C ATOM 1481 CG ASP A 154 12.257 3.734 3.628 1.00 47.04 C ATOM 1482 OD1 ASP A 154 12.240 3.684 4.878 1.00 47.96 O ATOM 1483 OD2 ASP A 154 11.969 4.768 2.986 1.00 48.57 O ATOM 1484 H ASP A 154 13.220 0.165 1.891 1.00 0.00 H ATOM 1485 N ALA A 155 10.064 0.582 2.619 1.00 40.83 N ATOM 1486 CA ALA A 155 8.609 0.420 2.625 1.00 39.77 C ATOM 1487 C ALA A 155 8.125 -0.475 3.768 1.00 39.15 C ATOM 1488 O ALA A 155 7.286 -0.067 4.570 1.00 39.46 O ATOM 1489 CB ALA A 155 8.130 -0.123 1.285 1.00 39.55 C ATOM 1490 H ALA A 155 10.601 0.296 1.775 1.00 0.00 H ATOM 1491 N PHE A 156 8.670 -1.685 3.842 1.00 38.37 N ATOM 1492 CA PHE A 156 8.269 -2.658 4.867 1.00 37.54 C ATOM 1493 C PHE A 156 8.738 -2.271 6.276 1.00 38.58 C ATOM 1494 O PHE A 156 8.007 -2.475 7.250 1.00 39.09 O ATOM 1495 CB PHE A 156 8.791 -4.054 4.516 1.00 36.24 C ATOM 1496 CG PHE A 156 8.088 -4.687 3.349 1.00 36.08 C ATOM 1497 CD1 PHE A 156 8.530 -4.473 2.052 1.00 35.51 C ATOM 1498 CD2 PHE A 156 6.986 -5.509 3.549 1.00 36.01 C ATOM 1499 CE1 PHE A 156 7.885 -5.059 0.976 1.00 35.62 C ATOM 1500 CE2 PHE A 156 6.336 -6.098 2.477 1.00 35.74 C ATOM 1501 CZ PHE A 156 6.786 -5.873 1.187 1.00 35.48 C ATOM 1502 H PHE A 156 9.403 -1.951 3.153 1.00 0.00 H ATOM 1503 N TYR A 157 9.950 -1.721 6.380 1.00 39.17 N ATOM 1504 CA TYR A 157 10.505 -1.288 7.675 1.00 39.90 C ATOM 1505 C TYR A 157 9.717 -0.110 8.251 1.00 39.78 C ATOM 1506 O TYR A 157 9.481 -0.052 9.462 1.00 40.15 O ATOM 1507 CB TYR A 157 11.986 -0.891 7.543 1.00 40.26 C ATOM 1508 CG TYR A 157 12.997 -2.012 7.648 1.00 41.23 C ATOM 1509 CD1 TYR A 157 13.044 -3.022 6.701 1.00 42.18 C ATOM 1510 CD2 TYR A 157 13.935 -2.042 8.686 1.00 41.99 C ATOM 1511 CE1 TYR A 157 13.973 -4.045 6.778 1.00 42.47 C ATOM 1512 CE2 TYR A 157 14.869 -3.064 8.774 1.00 42.55 C ATOM 1513 CZ TYR A 157 14.885 -4.061 7.817 1.00 42.21 C ATOM 1514 OH TYR A 157 15.811 -5.073 7.897 1.00 42.52 O ATOM 1515 HH TYR A 157 15.683 -5.697 7.139 1.00 0.00 H ATOM 1516 H TYR A 157 10.521 -1.594 5.520 1.00 0.00 H ATOM 1517 N THR A 158 9.323 0.826 7.390 1.00 39.62 N ATOM 1518 CA THR A 158 8.502 1.959 7.817 1.00 40.10 C ATOM 1519 C THR A 158 7.123 1.497 8.295 1.00 40.05 C ATOM 1520 O THR A 158 6.578 2.061 9.244 1.00 40.90 O ATOM 1521 CB THR A 158 8.336 3.002 6.688 1.00 39.80 C ATOM 1522 OG1 THR A 158 9.628 3.443 6.256 1.00 39.58 O ATOM 1523 CG2 THR A 158 7.535 4.212 7.170 1.00 39.91 C ATOM 1524 HG1 THR A 158 10.144 2.668 5.919 1.00 0.00 H ATOM 1525 H THR A 158 9.605 0.750 6.392 1.00 0.00 H ATOM 1526 N LEU A 159 6.564 0.482 7.639 1.00 39.67 N ATOM 1527 CA LEU A 159 5.270 -0.075 8.048 1.00 40.40 C ATOM 1528 C LEU A 159 5.353 -0.716 9.434 1.00 41.57 C ATOM 1529 O LEU A 159 4.423 -0.597 10.232 1.00 41.68 O ATOM 1530 CB LEU A 159 4.758 -1.095 7.021 1.00 39.06 C ATOM 1531 CG LEU A 159 3.415 -1.778 7.322 1.00 38.64 C ATOM 1532 CD1 LEU A 159 2.309 -0.771 7.602 1.00 38.23 C ATOM 1533 CD2 LEU A 159 3.013 -2.691 6.173 1.00 38.64 C ATOM 1534 H LEU A 159 7.056 0.075 6.818 1.00 0.00 H ATOM 1535 N VAL A 160 6.467 -1.388 9.716 1.00 43.23 N ATOM 1536 CA VAL A 160 6.684 -1.990 11.034 1.00 44.32 C ATOM 1537 C VAL A 160 6.771 -0.909 12.119 1.00 45.76 C ATOM 1538 O VAL A 160 6.248 -1.085 13.226 1.00 45.95 O ATOM 1539 CB VAL A 160 7.941 -2.891 11.049 1.00 44.45 C ATOM 1540 CG1 VAL A 160 8.283 -3.346 12.464 1.00 44.64 C ATOM 1541 CG2 VAL A 160 7.726 -4.103 10.156 1.00 44.14 C ATOM 1542 H VAL A 160 7.200 -1.488 8.985 1.00 0.00 H ATOM 1543 N ARG A 161 7.411 0.212 11.795 1.00 47.20 N ATOM 1544 CA ARG A 161 7.471 1.346 12.720 1.00 47.91 C ATOM 1545 C ARG A 161 6.104 1.985 12.945 1.00 47.26 C ATOM 1546 O ARG A 161 5.791 2.395 14.060 1.00 48.22 O ATOM 1547 CB ARG A 161 8.474 2.389 12.236 1.00 49.19 C ATOM 1548 CG ARG A 161 9.903 1.904 12.381 1.00 50.71 C ATOM 1549 CD ARG A 161 10.897 3.050 12.434 1.00 52.45 C ATOM 1550 NE ARG A 161 12.235 2.561 12.750 1.00 54.07 N ATOM 1551 CZ ARG A 161 13.158 2.206 11.856 1.00 55.34 C ATOM 1552 NH1 ARG A 161 12.924 2.285 10.546 1.00 55.93 N ATOM 1553 NH2 ARG A 161 14.339 1.768 12.280 1.00 55.29 N ATOM 1554 HE ARG A 161 12.490 2.483 13.755 1.00 0.00 H ATOM 1555 HH12 ARG A 161 13.660 2.002 9.868 1.00 0.00 H ATOM 1556 HH11 ARG A 161 12.005 2.630 10.202 1.00 0.00 H ATOM 1557 HH22 ARG A 161 15.067 1.488 11.592 1.00 0.00 H ATOM 1558 HH21 ARG A 161 14.535 1.705 13.299 1.00 0.00 H ATOM 1559 H ARG A 161 7.877 0.284 10.868 1.00 0.00 H ATOM 1560 N GLU A 162 5.292 2.062 11.894 1.00 46.90 N ATOM 1561 CA GLU A 162 3.924 2.581 12.020 1.00 47.35 C ATOM 1562 C GLU A 162 3.047 1.694 12.916 1.00 47.36 C ATOM 1563 O GLU A 162 2.201 2.197 13.657 1.00 46.93 O ATOM 1564 CB GLU A 162 3.269 2.729 10.645 1.00 47.68 C ATOM 1565 CG GLU A 162 3.880 3.817 9.774 1.00 48.18 C ATOM 1566 CD GLU A 162 3.558 5.221 10.255 1.00 49.09 C ATOM 1567 OE1 GLU A 162 2.363 5.534 10.457 1.00 49.06 O ATOM 1568 OE2 GLU A 162 4.505 6.019 10.425 1.00 49.44 O ATOM 1569 H GLU A 162 5.633 1.748 10.963 1.00 0.00 H ATOM 1570 N ILE A 163 3.252 0.380 12.837 1.00 47.97 N ATOM 1571 CA ILE A 163 2.537 -0.577 13.686 1.00 49.71 C ATOM 1572 C ILE A 163 2.928 -0.409 15.159 1.00 52.39 C ATOM 1573 O ILE A 163 2.071 -0.460 16.039 1.00 51.83 O ATOM 1574 CB ILE A 163 2.782 -2.035 13.233 1.00 48.49 C ATOM 1575 CG1 ILE A 163 2.134 -2.281 11.865 1.00 47.85 C ATOM 1576 CG2 ILE A 163 2.228 -3.027 14.250 1.00 48.04 C ATOM 1577 CD1 ILE A 163 2.644 -3.519 11.157 1.00 47.03 C ATOM 1578 H ILE A 163 3.944 0.021 12.149 1.00 0.00 H ATOM 1579 N ARG A 164 4.219 -0.214 15.419 1.00 56.11 N ATOM 1580 CA ARG A 164 4.703 0.071 16.774 1.00 60.09 C ATOM 1581 C ARG A 164 4.105 1.361 17.352 1.00 60.73 C ATOM 1582 O ARG A 164 3.919 1.473 18.563 1.00 60.06 O ATOM 1583 CB ARG A 164 6.228 0.184 16.796 1.00 62.07 C ATOM 1584 CG ARG A 164 6.980 -1.139 16.727 1.00 65.01 C ATOM 1585 CD ARG A 164 8.174 -1.111 17.664 1.00 67.94 C ATOM 1586 NE ARG A 164 8.959 -2.327 17.535 1.00 70.37 N ATOM 1587 CZ ARG A 164 10.126 -2.432 16.902 1.00 73.58 C ATOM 1588 NH1 ARG A 164 10.699 -1.377 16.323 1.00 75.42 N ATOM 1589 NH2 ARG A 164 10.731 -3.613 16.853 1.00 75.20 N ATOM 1590 HE ARG A 164 8.577 -3.189 17.974 1.00 0.00 H ATOM 1591 HH12 ARG A 164 11.611 -1.483 15.834 1.00 0.00 H ATOM 1592 HH11 ARG A 164 10.234 -0.447 16.360 1.00 0.00 H ATOM 1593 HH22 ARG A 164 11.643 -3.710 16.362 1.00 0.00 H ATOM 1594 HH21 ARG A 164 10.293 -4.441 17.305 1.00 0.00 H ATOM 1595 H ARG A 164 4.904 -0.265 14.639 1.00 0.00 H ATOM 1596 N LYS A 165 3.829 2.329 16.481 1.00 62.04 N ATOM 1597 CA LYS A 165 3.194 3.593 16.889 1.00 63.73 C ATOM 1598 C LYS A 165 1.737 3.449 17.328 1.00 65.42 C ATOM 1599 O LYS A 165 1.238 4.300 18.055 1.00 66.36 O ATOM 1600 CB LYS A 165 3.238 4.622 15.765 1.00 63.24 C ATOM 1601 CG LYS A 165 4.578 5.306 15.563 1.00 63.41 C ATOM 1602 CD LYS A 165 4.444 6.516 14.621 1.00 63.81 C ATOM 1603 CE LYS A 165 5.413 6.433 13.449 1.00 64.08 C ATOM 1604 NZ LYS A 165 5.448 7.683 12.637 1.00 63.90 N ATOM 1605 HZ1 LYS A 165 4.500 7.872 12.253 1.00 0.00 H ATOM 1606 HZ2 LYS A 165 5.744 8.478 13.239 1.00 0.00 H ATOM 1607 HZ3 LYS A 165 6.124 7.568 11.855 1.00 0.00 H ATOM 1608 H LYS A 165 4.070 2.188 15.479 1.00 0.00 H ATOM 1609 N HIS A 166 1.048 2.410 16.857 1.00 66.59 N ATOM 1610 CA HIS A 166 -0.361 2.201 17.200 1.00 67.55 C ATOM 1611 C HIS A 166 -0.524 1.865 18.680 1.00 68.14 C ATOM 1612 O HIS A 166 -1.414 2.393 19.346 1.00 68.77 O ATOM 1613 CB HIS A 166 -0.957 1.084 16.346 1.00 67.33 C ATOM 1614 CG HIS A 166 -2.445 0.979 16.442 1.00 68.26 C ATOM 1615 ND1 HIS A 166 -3.077 -0.060 17.091 1.00 69.20 N ATOM 1616 CD2 HIS A 166 -3.427 1.784 15.973 1.00 69.08 C ATOM 1617 CE1 HIS A 166 -4.385 0.108 17.016 1.00 69.71 C ATOM 1618 NE2 HIS A 166 -4.624 1.219 16.342 1.00 70.02 N ATOM 1619 H HIS A 166 1.523 1.730 16.230 1.00 0.00 H TER 1620 HIS A 166 HETATM 1621 MG MG A 1 1.078 -11.533 -7.518 1.00 37.79 MG HETATM 1622 O HOH 2 8.393 -10.347 -14.505 1.00 46.57 O HETATM 1623 O HOH 3 -12.718 -0.818 17.231 1.00 51.83 O HETATM 1624 O HOH 4 10.827 -10.065 -7.042 1.00 38.96 O HETATM 1625 O HOH 5 -6.737 -11.701 -1.479 1.00 37.15 O HETATM 1626 O HOH 6 16.210 -6.101 5.577 1.00 46.17 O HETATM 1627 O HOH 7 16.936 -5.251 10.430 1.00 54.73 O HETATM 1628 O HOH 8 2.190 -12.447 -9.152 1.00 36.51 O HETATM 1629 O HOH 9 -3.767 -0.564 -6.499 1.00 39.29 O HETATM 1630 O HOH 10 -7.471 6.416 -4.555 1.00 46.14 O HETATM 1631 O HOH 11 0.109 -10.291 -11.796 1.00 43.45 O HETATM 1632 O HOH 12 -1.069 -11.478 -7.865 1.00 37.43 O HETATM 1633 O HOH 13 5.718 -11.744 -14.589 1.00 53.61 O HETATM 1634 O HOH 14 -10.155 3.548 16.098 1.00 40.27 O HETATM 1635 O HOH 15 0.093 -11.076 -5.630 1.00 36.81 O HETATM 1636 O HOH 16 -5.118 -6.752 -3.046 1.00 31.52 O HETATM 1637 O HOH 17 0.168 -13.469 -7.102 1.00 38.63 O HETATM 1638 O HOH 18 -10.212 -10.104 -7.427 1.00 38.18 O HETATM 1639 O HOH 19 15.012 -13.990 4.065 1.00 39.05 O HETATM 1640 O HOH 20 14.878 0.826 0.863 1.00 40.50 O HETATM 1641 O HOH 21 -13.033 -4.245 16.065 1.00 48.25 O HETATM 1642 C01 O A 5 -3.141 -10.193 -10.729 1.00 -0.05 C HETATM 1643 C02 O A 5 -3.966 -10.717 -9.555 1.00 0.03 C HETATM 1644 C03 O A 5 -3.993 -9.755 -8.352 1.00 0.18 C HETATM 1645 O04 O A 5 -3.027 -9.563 -7.689 1.00 -0.40 O HETATM 1646 N05 O A 5 -5.224 -9.067 -8.007 1.00 -0.27 N HETATM 1647 C06 O A 5 -5.619 -8.095 -6.948 1.00 0.06 C HETATM 1648 C07 O A 5 -6.944 -7.934 -7.598 1.00 0.08 C HETATM 1649 C08 O A 5 -6.612 -9.023 -8.554 1.00 0.06 C HETATM 1650 H9 O A 5 -7.186 -9.948 -8.400 1.00 0.05 H HETATM 1651 H10 O A 5 -6.670 -8.727 -9.612 1.00 0.05 H HETATM 1652 N09 O A 5 -8.051 -8.332 -6.728 1.00 -0.28 N HETATM 1653 C10 O A 5 -8.239 -7.774 -5.383 1.00 0.21 C HETATM 1654 O11 O A 5 -7.495 -6.966 -4.935 1.00 -0.39 O HETATM 1655 C12 O A 5 -9.439 -8.272 -4.567 1.00 0.14 C HETATM 1656 N13 O A 5 -9.612 -7.484 -3.350 1.00 -0.24 N HETATM 1657 C14 O A 5 -10.412 -6.434 -3.255 1.00 0.06 C HETATM 1658 C15 O A 5 -10.330 -5.922 -1.958 1.00 0.05 C HETATM 1659 C16 O A 5 -11.117 -4.698 -1.414 1.00 0.18 C HETATM 1660 O17 O A 5 -11.323 -4.618 -0.247 1.00 -0.40 O HETATM 1661 N18 O A 5 -11.630 -3.659 -2.309 1.00 -0.27 N HETATM 1662 C19 O A 5 -11.402 -3.723 -3.773 1.00 0.04 C HETATM 1663 C20 O A 5 -11.637 -2.455 -4.570 1.00 -0.00 C HETATM 1664 C21 O A 5 -12.912 -1.748 -4.141 1.00 -0.01 C HETATM 1665 C22 O A 5 -13.705 -1.064 -5.114 1.00 0.09 C HETATM 1666 O23 O A 5 -13.288 -1.075 -6.461 1.00 -0.33 O HETATM 1667 C24 O A 5 -13.819 -0.098 -7.317 1.00 0.06 C HETATM 1668 H19 O A 5 -13.405 -0.232 -8.327 1.00 0.06 H HETATM 1669 H20 O A 5 -13.555 0.901 -6.941 1.00 0.06 H HETATM 1670 H21 O A 5 -14.914 -0.198 -7.353 1.00 0.06 H HETATM 1671 C25 O A 5 -14.871 -0.418 -4.697 1.00 -0.05 C HETATM 1672 C26 O A 5 -15.253 -0.432 -3.352 1.00 -0.08 C HETATM 1673 C27 O A 5 -14.473 -1.101 -2.406 1.00 -0.08 C HETATM 1674 C28 O A 5 -13.280 -1.766 -2.833 1.00 -0.03 C HETATM 1675 C29 O A 5 -12.402 -2.504 -1.775 1.00 0.06 C HETATM 1676 H25 O A 5 -11.689 -1.779 -1.355 1.00 0.07 H HETATM 1677 H26 O A 5 -13.063 -2.873 -0.977 1.00 0.07 H HETATM 1678 H24 O A 5 -14.767 -1.116 -1.363 1.00 0.04 H HETATM 1679 H23 O A 5 -16.158 0.078 -3.042 1.00 0.05 H HETATM 1680 H22 O A 5 -15.486 0.100 -5.424 1.00 0.05 H HETATM 1681 H17 O A 5 -11.715 -2.714 -5.636 1.00 0.04 H HETATM 1682 H18 O A 5 -10.785 -1.776 -4.418 1.00 0.04 H HETATM 1683 H15 O A 5 -12.071 -4.496 -4.178 1.00 0.05 H HETATM 1684 H16 O A 5 -10.356 -4.024 -3.932 1.00 0.05 H HETATM 1685 C30 O A 5 -9.416 -6.765 -1.255 1.00 -0.00 C HETATM 1686 C31 O A 5 -8.909 -6.790 0.067 1.00 -0.06 C HETATM 1687 C32 O A 5 -7.989 -7.777 0.450 1.00 -0.00 C HETATM 1688 BR33 O A 5 -7.304 -7.807 2.265 1.00 -0.06 BR HETATM 1689 C34 O A 5 -7.559 -8.745 -0.470 1.00 -0.07 C HETATM 1690 C35 O A 5 -8.053 -8.723 -1.772 1.00 -0.04 C HETATM 1691 C36 O A 5 -8.990 -7.720 -2.162 1.00 0.08 C HETATM 1692 H29 O A 5 -7.726 -9.467 -2.489 1.00 0.06 H HETATM 1693 H28 O A 5 -6.847 -9.505 -0.169 1.00 0.06 H HETATM 1694 H27 O A 5 -9.233 -6.045 0.784 1.00 0.06 H HETATM 1695 H14 O A 5 -11.032 -6.035 -4.056 1.00 0.11 H HETATM 1696 H12 O A 5 -9.275 -9.325 -4.293 1.00 0.09 H HETATM 1697 H13 O A 5 -10.349 -8.190 -5.180 1.00 0.09 H HETATM 1698 H11 O A 5 -8.705 -9.011 -7.062 1.00 0.19 H HETATM 1699 H8 O A 5 -7.127 -6.947 -8.047 1.00 0.06 H HETATM 1700 H6 O A 5 -5.012 -7.178 -6.930 1.00 0.05 H HETATM 1701 H7 O A 5 -5.663 -8.525 -5.936 1.00 0.05 H HETATM 1702 H4 O A 5 -3.537 -11.675 -9.226 1.00 0.05 H HETATM 1703 H5 O A 5 -4.999 -10.877 -9.898 1.00 0.05 H HETATM 1704 H1 O A 5 -3.164 -10.925 -11.549 1.00 0.03 H HETATM 1705 H2 O A 5 -2.101 -10.037 -10.406 1.00 0.03 H HETATM 1706 H3 O A 5 -3.563 -9.239 -11.077 1.00 0.03 H CONECT 1 2 9 10 11 CONECT 9 1 CONECT 10 1 CONECT 11 1 CONECT 145 144 146 1621 CONECT 1621 145 CONECT 1642 1643 1704 1705 1706 CONECT 1643 1642 1644 1702 1703 CONECT 1644 1643 1645 1646 CONECT 1645 1644 CONECT 1646 1644 1647 1649 CONECT 1647 1646 1648 1700 1701 CONECT 1648 1647 1649 1652 1699 CONECT 1649 1646 1648 1650 1651 CONECT 1650 1649 CONECT 1651 1649 CONECT 1652 1648 1653 1698 CONECT 1653 1652 1654 1655 CONECT 1654 1653 CONECT 1655 1653 1656 1696 1697 CONECT 1656 1655 1657 1691 CONECT 1657 1656 1658 1695 CONECT 1658 1657 1659 1685 CONECT 1659 1658 1660 1661 CONECT 1660 1659 CONECT 1661 1659 1662 1675 CONECT 1662 1661 1663 1683 1684 CONECT 1663 1662 1664 1681 1682 CONECT 1664 1663 1665 1674 CONECT 1665 1664 1666 1671 CONECT 1666 1665 1667 CONECT 1667 1666 1668 1669 1670 CONECT 1668 1667 CONECT 1669 1667 CONECT 1670 1667 CONECT 1671 1665 1672 1680 CONECT 1672 1671 1673 1679 CONECT 1673 1672 1674 1678 CONECT 1674 1664 1673 1675 CONECT 1675 1661 1674 1676 1677 CONECT 1676 1675 CONECT 1677 1675 CONECT 1678 1673 CONECT 1679 1672 CONECT 1680 1671 CONECT 1681 1663 CONECT 1682 1663 CONECT 1683 1662 CONECT 1684 1662 CONECT 1685 1658 1686 1691 CONECT 1686 1685 1687 1694 CONECT 1687 1686 1688 1689 CONECT 1688 1687 CONECT 1689 1687 1690 1693 CONECT 1690 1689 1691 1692 CONECT 1691 1656 1685 1690 CONECT 1692 1690 CONECT 1693 1689 CONECT 1694 1686 CONECT 1695 1657 CONECT 1696 1655 CONECT 1697 1655 CONECT 1698 1652 CONECT 1699 1648 CONECT 1700 1647 CONECT 1701 1647 CONECT 1702 1643 CONECT 1703 1643 CONECT 1704 1642 CONECT 1705 1642 CONECT 1706 1642 MASTER 0 0 0 0 0 0 0 0 1705 1 71 13 END
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Related entries of code: 6p8y
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
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RCSB PDB
PDBbind
166aa, >1CLU_1|Chain... at 92%
1d8e
RCSB PDB
PDBbind
11aa, >1D8E_3|Chain... at 100%
1he8
RCSB PDB
PDBbind
166aa, >1HE8_2|Chain... at 92%
1nvu
RCSB PDB
PDBbind
166aa, >1NVU_1|Chains... at 92%
1wq1
RCSB PDB
PDBbind
166aa, >1WQ1_1|Chain... at 92%
4dst
RCSB PDB
PDBbind
189aa, >4DST_1|Chain... *
4dsu
RCSB PDB
PDBbind
189aa, >4DSU_1|Chain... at 100%
4epy
RCSB PDB
PDBbind
170aa, >4EPY_1|Chain... at 98%
4k81
RCSB PDB
PDBbind
171aa, >4K81_2|Chains... at 90%
4nyi
RCSB PDB
PDBbind
167aa, >4NYI_1|Chain... at 92%
4nyj
RCSB PDB
PDBbind
166aa, >4NYJ_2|Chain... at 92%
4nym
RCSB PDB
PDBbind
166aa, >4NYM_2|Chain... at 92%
5kyk
RCSB PDB
PDBbind
169aa, >5KYK_1|Chains... at 98%
6b0v
RCSB PDB
PDBbind
170aa, >6B0V_1|Chains... at 97%
6b0y
RCSB PDB
PDBbind
170aa, >6B0Y_1|Chains... at 97%
6d55
RCSB PDB
PDBbind
167aa, >6D55_3|Chain... at 92%
6d56
RCSB PDB
PDBbind
167aa, >6D56_3|Chain... at 92%
6d59
RCSB PDB
PDBbind
167aa, >6D59_3|Chain... at 92%
6d5e
RCSB PDB
PDBbind
167aa, >6D5E_3|Chain... at 92%
6d5g
RCSB PDB
PDBbind
167aa, >6D5G_3|Chain... at 92%
6d5h
RCSB PDB
PDBbind
167aa, >6D5H_3|Chain... at 92%
6d5j
RCSB PDB
PDBbind
167aa, >6D5J_3|Chain... at 92%
6fa2
RCSB PDB
PDBbind
171aa, >6FA2_3|Chain... at 96%
6fa3
RCSB PDB
PDBbind
172aa, >6FA3_2|Chain... at 96%
6fa4
RCSB PDB
PDBbind
173aa, >6FA4_2|Chains... at 96%
6quw
RCSB PDB
PDBbind
170aa, >6QUW_1|Chains... at 99%
6quv
RCSB PDB
PDBbind
170aa, >6QUV_1|Chains... at 99%
6pgp
RCSB PDB
PDBbind
183aa, >6PGP_1|Chains... at 90%
6pgo
RCSB PDB
PDBbind
183aa, >6PGO_1|Chains... at 90%
6p8z
RCSB PDB
PDBbind
183aa, >6P8Z_1|Chains... at 90%
6p8x
RCSB PDB
PDBbind
183aa, >6P8X_1|Chains... at 90%
6gj8
RCSB PDB
PDBbind
169aa, >6GJ8_1|Chain... at 99%
6gj7
RCSB PDB
PDBbind
170aa, >6GJ7_1|Chain... at 99%
6gj6
RCSB PDB
PDBbind
170aa, >6GJ6_1|Chain... at 99%
6gj5
RCSB PDB
PDBbind
170aa, >6GJ5_1|Chains... at 98%
6d5w
RCSB PDB
PDBbind
167aa, >6D5W_2|Chain... at 92%
6ccx
RCSB PDB
PDBbind
187aa, >6CCX_2|Chain... at 97%
6oim
RCSB PDB
PDBbind
183aa, >6OIM_1|Chain... at 90%
6cc9
RCSB PDB
PDBbind
187aa, >6CC9_2|Chain... at 97%
6v5l
RCSB PDB
PDBbind
169aa, >6V5L_1|Chain... at 98%
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
6p8y
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
human KRAS G12C
Ligand Name
O5Y
EC.Number
E.C.-.-.-.-
Resolution
2.31(Å)
Affinity (Kd/Ki/IC50)
IC50=0.638uM
Release Year
2019
Protein/NA Sequence
Check fasta file
Primary Reference
(2019) Acs Med.Chem.Lett. Vol. 10: pp. 1302-1308
Ligand Properties
Formula
C
2
7
H
2
9
BrN
4
O
4
Molecular Weight
553.448
Exact Mass
552.137
No. of atoms
65
No. of bonds
69
Polar Surface Area
83.88
LOGP Value
2.91 (
Computed with XLOGP3
)
3.61 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 9
No. of Nitrogen and Oxygen Atoms: 8
No. of Rings: 5
Canonical SMILES
CCC(=O)N1CC(C1)NC(=O)Cn1cc(c2c1ccc(c2)Br)C(=O)N1CCc2c(C1)cccc2OC
InChI String
InChI=1S/C27H29BrN4O4/c1-3-26(34)32-13-19(14-32)29-25(33)16-31-15-22(21-11-18(28)7-8-23(21)31)27(35)30-10-9-20-17(12-30)5-4-6-24(20)36-2/h4-8,11,15,19H,3,9-10,12-14,16H2,1-2H3,(H,29,33)
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):
P01116
Entrez Gene ID
NCBI Entrez Gene ID:
3845
ASD
Information of known allosteric effects of PDB entries
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