Browse entries in the PDBbind-CN Database
HEADER 4QXT_COMPLEX COMPND 4QXT_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 114 GLN VAL GLN LEU GLN GLN SER GLY ASP GLU LEU VAL LYS SEQRES 2 A 114 PRO GLY ALA SER VAL LYS LEU SER CYS THR VAL SER GLY SEQRES 3 A 114 PHE ASN ILE LYS ASP ASP PHE ILE HIS TRP MET LYS GLN SEQRES 4 A 114 ARG PRO GLU GLN GLY LEU GLU TRP ILE GLY ARG ILE ASP SEQRES 5 A 114 PRO ALA ASN GLY TYR THR LYS TYR ALA PRO LYS PHE GLN SEQRES 6 A 114 ASP LYS ALA THR MET THR ALA ASP THR SER SER ASN THR SEQRES 7 A 114 ALA TYR LEU GLN LEU SER SER LEU ALA SER GLU ASP ALA SEQRES 8 A 114 ALA VAL TYR TYR CYS ALA THR TYR GLY VAL ALA TYR TRP SEQRES 9 A 114 GLY GLN GLY THR LEU VAL THR VAL SER ALA SEQRES 1 B 111 ASP ILE VAL LEU THR GLN SER PRO ALA SER LEU ALA VAL SEQRES 2 B 111 SER LEU GLY GLN ARG ALA THR ILE SER CYS LYS ALA SER SEQRES 3 B 111 GLN SER VAL ASP HIS ASP GLY ASP SER TYR MET ASN TRP SEQRES 4 B 111 PHE GLN GLN LYS PRO GLY GLN SER PRO LYS LEU LEU ILE SEQRES 5 B 111 TYR ALA ALA SER ASN LEU GLU SER GLY ILE PRO ALA ARG SEQRES 6 B 111 PHE SER GLY SER GLY SER GLY THR ASP PHE THR LEU ASN SEQRES 7 B 111 ILE HIS PRO VAL GLU GLU GLU ASP ALA ALA THR TYR TYR SEQRES 8 B 111 CYS GLN GLN THR ASN GLU ASP PRO TYR THR PHE GLY GLY SEQRES 9 B 111 GLY THR LYS LEU GLU ILE LYS HET ACE A 552 172 SSBOND 1 CYS A 22 CYS A 96 SSBOND 2 CYS B 23 CYS B 92 ATOM 1 N GLN A 1 -16.517 -27.304 -9.055 1.00 43.84 N ATOM 2 CA GLN A 1 -16.081 -28.432 -8.234 1.00 41.99 C ATOM 3 C GLN A 1 -14.576 -28.369 -7.999 1.00 37.67 C ATOM 4 O GLN A 1 -14.034 -29.075 -7.147 1.00 38.69 O ATOM 5 CB GLN A 1 -16.462 -29.761 -8.893 1.00 43.00 C ATOM 6 HN3 GLN A 1 -16.029 -27.336 -9.973 1.00 0.00 H ATOM 7 HN2 GLN A 1 -16.287 -26.414 -8.569 1.00 0.00 H ATOM 8 HN1 GLN A 1 -17.544 -27.363 -9.205 1.00 0.00 H ATOM 9 N VAL A 2 -13.909 -27.514 -8.762 1.00 31.95 N ATOM 10 CA VAL A 2 -12.476 -27.325 -8.619 1.00 28.78 C ATOM 11 C VAL A 2 -12.208 -26.369 -7.465 1.00 24.75 C ATOM 12 O VAL A 2 -12.843 -25.328 -7.366 1.00 24.91 O ATOM 13 CB VAL A 2 -11.854 -26.785 -9.911 1.00 27.76 C ATOM 14 CG1 VAL A 2 -10.349 -26.591 -9.750 1.00 26.81 C ATOM 15 CG2 VAL A 2 -12.163 -27.735 -11.067 1.00 30.47 C ATOM 16 H VAL A 2 -14.424 -26.966 -9.480 1.00 0.00 H ATOM 17 N GLN A 3 -11.294 -26.745 -6.579 1.00 22.20 N ATOM 18 CA GLN A 3 -10.931 -25.882 -5.461 1.00 20.17 C ATOM 19 C GLN A 3 -9.421 -25.755 -5.375 1.00 17.87 C ATOM 20 O GLN A 3 -8.708 -26.744 -5.474 1.00 16.85 O ATOM 21 CB GLN A 3 -11.485 -26.423 -4.143 1.00 21.33 C ATOM 22 H GLN A 3 -10.829 -27.670 -6.684 1.00 0.00 H ATOM 23 N LEU A 4 -8.944 -24.536 -5.171 1.00 15.61 N ATOM 24 CA LEU A 4 -7.529 -24.305 -4.972 1.00 14.14 C ATOM 25 C LEU A 4 -7.342 -23.830 -3.545 1.00 14.09 C ATOM 26 O LEU A 4 -7.728 -22.712 -3.208 1.00 18.62 O ATOM 27 CB LEU A 4 -6.979 -23.269 -5.970 1.00 12.09 C ATOM 28 CG LEU A 4 -6.762 -23.772 -7.406 1.00 13.29 C ATOM 29 CD1 LEU A 4 -8.087 -23.854 -8.146 1.00 18.46 C ATOM 30 CD2 LEU A 4 -5.805 -22.893 -8.191 1.00 12.90 C ATOM 31 H LEU A 4 -9.599 -23.729 -5.153 1.00 0.00 H ATOM 32 N GLN A 5 -6.767 -24.683 -2.709 1.00 12.62 N ATOM 33 CA GLN A 5 -6.636 -24.376 -1.290 1.00 14.16 C ATOM 34 C GLN A 5 -5.215 -23.970 -0.975 1.00 14.66 C ATOM 35 O GLN A 5 -4.302 -24.786 -1.038 1.00 15.67 O ATOM 36 CB GLN A 5 -7.027 -25.575 -0.435 1.00 18.62 C ATOM 37 CG GLN A 5 -6.907 -25.312 1.067 1.00 25.19 C ATOM 38 CD GLN A 5 -7.842 -24.212 1.544 1.00 33.20 C ATOM 39 OE1 GLN A 5 -8.901 -23.973 0.952 1.00 35.89 O ATOM 40 NE2 GLN A 5 -7.448 -23.525 2.613 1.00 35.92 N ATOM 41 HE22 GLN A 5 -6.549 -23.760 3.080 1.00 0.00 H ATOM 42 HE21 GLN A 5 -8.039 -22.753 2.982 1.00 0.00 H ATOM 43 H GLN A 5 -6.403 -25.587 -3.072 1.00 0.00 H ATOM 44 N GLN A 6 -5.030 -22.700 -0.636 1.00 13.53 N ATOM 45 CA GLN A 6 -3.686 -22.211 -0.366 1.00 13.41 C ATOM 46 C GLN A 6 -3.346 -22.292 1.120 1.00 15.14 C ATOM 47 O GLN A 6 -4.236 -22.306 1.980 1.00 17.13 O ATOM 48 CB GLN A 6 -3.546 -20.787 -0.875 1.00 13.09 C ATOM 49 CG GLN A 6 -3.634 -20.717 -2.369 1.00 11.32 C ATOM 50 CD GLN A 6 -3.386 -19.338 -2.898 1.00 11.69 C ATOM 51 OE1 GLN A 6 -4.267 -18.718 -3.490 1.00 11.29 O ATOM 52 NE2 GLN A 6 -2.168 -18.854 -2.717 1.00 11.66 N ATOM 53 HE22 GLN A 6 -1.455 -19.416 -2.209 1.00 0.00 H ATOM 54 HE21 GLN A 6 -1.923 -17.912 -3.082 1.00 0.00 H ATOM 55 H GLN A 6 -5.843 -22.056 -0.564 1.00 0.00 H ATOM 56 N SER A 7 -2.047 -22.377 1.397 1.00 15.43 N ATOM 57 CA SER A 7 -1.547 -22.525 2.756 1.00 15.72 C ATOM 58 C SER A 7 -1.763 -21.250 3.576 1.00 16.29 C ATOM 59 O SER A 7 -2.145 -20.197 3.053 1.00 15.13 O ATOM 60 CB SER A 7 -0.071 -22.924 2.723 1.00 15.61 C ATOM 61 OG SER A 7 0.673 -22.074 1.870 1.00 16.59 O ATOM 62 HG SER A 7 0.606 -21.141 2.195 1.00 0.00 H ATOM 63 H SER A 7 -1.364 -22.336 0.614 1.00 0.00 H ATOM 64 N GLY A 8 -1.544 -21.362 4.878 1.00 18.15 N ATOM 65 CA GLY A 8 -1.898 -20.287 5.783 1.00 20.78 C ATOM 66 C GLY A 8 -0.978 -19.085 5.731 1.00 21.26 C ATOM 67 O GLY A 8 0.139 -19.146 5.219 1.00 19.57 O ATOM 68 H GLY A 8 -1.113 -22.231 5.254 1.00 0.00 H ATOM 69 N ASP A 9 -1.436 -17.988 6.308 1.00 22.06 N ATOM 70 CA ASP A 9 -0.648 -16.774 6.280 1.00 23.86 C ATOM 71 C ASP A 9 0.659 -16.963 7.041 1.00 22.72 C ATOM 72 O ASP A 9 0.741 -17.723 8.024 1.00 21.33 O ATOM 73 CB ASP A 9 -1.447 -15.606 6.842 1.00 29.03 C ATOM 74 CG ASP A 9 -2.772 -15.398 6.119 1.00 28.39 C ATOM 75 OD1 ASP A 9 -2.927 -15.794 4.925 1.00 25.26 O ATOM 76 OD2 ASP A 9 -3.670 -14.820 6.764 1.00 28.24 O ATOM 77 H ASP A 9 -2.362 -17.997 6.782 1.00 0.00 H ATOM 78 N GLU A 10 1.691 -16.282 6.556 1.00 20.24 N ATOM 79 CA GLU A 10 3.017 -16.405 7.129 1.00 22.01 C ATOM 80 C GLU A 10 3.623 -15.058 7.483 1.00 22.28 C ATOM 81 O GLU A 10 3.641 -14.139 6.664 1.00 21.24 O ATOM 82 CB GLU A 10 3.943 -17.132 6.163 1.00 25.27 C ATOM 83 CG GLU A 10 3.471 -18.539 5.779 1.00 28.46 C ATOM 84 CD GLU A 10 3.533 -19.528 6.935 1.00 35.13 C ATOM 85 OE1 GLU A 10 4.155 -19.210 7.972 1.00 38.44 O ATOM 86 OE2 GLU A 10 2.952 -20.631 6.811 1.00 37.04 O ATOM 87 H GLU A 10 1.544 -15.646 5.746 1.00 0.00 H ATOM 88 N LEU A 11 4.144 -14.961 8.703 1.00 22.35 N ATOM 89 CA LEU A 11 4.996 -13.841 9.080 1.00 23.00 C ATOM 90 C LEU A 11 6.437 -14.297 8.900 1.00 22.72 C ATOM 91 O LEU A 11 6.870 -15.294 9.496 1.00 24.93 O ATOM 92 CB LEU A 11 4.727 -13.387 10.520 1.00 22.71 C ATOM 93 CG LEU A 11 5.555 -12.212 11.070 1.00 24.88 C ATOM 94 CD1 LEU A 11 5.323 -10.932 10.289 1.00 25.59 C ATOM 95 CD2 LEU A 11 5.238 -11.982 12.544 1.00 26.51 C ATOM 96 H LEU A 11 3.938 -15.702 9.404 1.00 0.00 H ATOM 97 N VAL A 12 7.178 -13.581 8.057 1.00 22.90 N ATOM 98 CA VAL A 12 8.538 -13.986 7.717 1.00 22.02 C ATOM 99 C VAL A 12 9.565 -12.909 8.057 1.00 23.16 C ATOM 100 O VAL A 12 9.258 -11.711 8.054 1.00 24.28 O ATOM 101 CB VAL A 12 8.669 -14.326 6.227 1.00 24.78 C ATOM 102 CG1 VAL A 12 7.656 -15.385 5.837 1.00 23.63 C ATOM 103 CG2 VAL A 12 8.458 -13.093 5.395 1.00 26.75 C ATOM 104 H VAL A 12 6.781 -12.718 7.634 1.00 0.00 H ATOM 105 N LYS A 13 10.785 -13.347 8.354 1.00 22.91 N ATOM 106 CA LYS A 13 11.878 -12.433 8.671 1.00 23.35 C ATOM 107 C LYS A 13 12.679 -12.045 7.434 1.00 24.80 C ATOM 108 O LYS A 13 12.860 -12.861 6.527 1.00 23.55 O ATOM 109 CB LYS A 13 12.801 -13.065 9.713 1.00 27.26 C ATOM 110 CG LYS A 13 12.078 -13.354 11.000 1.00 29.76 C ATOM 111 CD LYS A 13 12.942 -14.066 11.990 1.00 35.66 C ATOM 112 CE LYS A 13 12.080 -14.544 13.131 1.00 36.52 C ATOM 113 NZ LYS A 13 11.296 -13.443 13.759 1.00 36.62 N ATOM 114 HZ1 LYS A 13 11.948 -12.723 14.131 1.00 0.00 H ATOM 115 HZ2 LYS A 13 10.673 -13.013 13.046 1.00 0.00 H ATOM 116 HZ3 LYS A 13 10.722 -13.827 14.536 1.00 0.00 H ATOM 117 H LYS A 13 10.966 -14.371 8.361 1.00 0.00 H ATOM 118 N PRO A 14 13.154 -10.786 7.386 1.00 24.95 N ATOM 119 CA PRO A 14 13.986 -10.351 6.259 1.00 24.46 C ATOM 120 C PRO A 14 15.172 -11.287 6.059 1.00 24.99 C ATOM 121 O PRO A 14 15.807 -11.657 7.048 1.00 28.68 O ATOM 122 CB PRO A 14 14.453 -8.959 6.685 1.00 26.42 C ATOM 123 CG PRO A 14 13.373 -8.474 7.600 1.00 28.40 C ATOM 124 CD PRO A 14 12.948 -9.704 8.365 1.00 28.41 C ATOM 125 N GLY A 15 15.456 -11.663 4.814 1.00 24.49 N ATOM 126 CA GLY A 15 16.585 -12.527 4.512 1.00 27.39 C ATOM 127 C GLY A 15 16.249 -14.009 4.552 1.00 29.16 C ATOM 128 O GLY A 15 17.028 -14.843 4.087 1.00 31.84 O ATOM 129 H GLY A 15 14.853 -11.329 4.035 1.00 0.00 H ATOM 130 N ALA A 16 15.096 -14.342 5.123 1.00 27.54 N ATOM 131 CA ALA A 16 14.664 -15.735 5.195 1.00 25.55 C ATOM 132 C ALA A 16 13.929 -16.138 3.928 1.00 25.60 C ATOM 133 O ALA A 16 13.751 -15.333 3.008 1.00 24.97 O ATOM 134 CB ALA A 16 13.781 -15.958 6.410 1.00 25.86 C ATOM 135 H ALA A 16 14.491 -13.598 5.525 1.00 0.00 H ATOM 136 N SER A 17 13.519 -17.399 3.878 1.00 24.02 N ATOM 137 CA SER A 17 12.743 -17.897 2.756 1.00 23.75 C ATOM 138 C SER A 17 11.419 -18.444 3.246 1.00 23.46 C ATOM 139 O SER A 17 11.258 -18.742 4.429 1.00 25.85 O ATOM 140 CB SER A 17 13.509 -18.981 1.995 1.00 24.38 C ATOM 141 OG SER A 17 12.787 -19.393 0.850 1.00 23.40 O ATOM 142 HG SER A 17 12.650 -18.617 0.251 1.00 0.00 H ATOM 143 H SER A 17 13.758 -18.044 4.658 1.00 0.00 H ATOM 144 N VAL A 18 10.467 -18.576 2.336 1.00 21.10 N ATOM 145 CA VAL A 18 9.204 -19.172 2.706 1.00 19.57 C ATOM 146 C VAL A 18 8.690 -19.938 1.496 1.00 17.38 C ATOM 147 O VAL A 18 8.959 -19.562 0.349 1.00 19.49 O ATOM 148 CB VAL A 18 8.196 -18.102 3.193 1.00 19.69 C ATOM 149 CG1 VAL A 18 7.741 -17.196 2.053 1.00 21.61 C ATOM 150 CG2 VAL A 18 7.019 -18.747 3.905 1.00 19.32 C ATOM 151 H VAL A 18 10.627 -18.253 1.361 1.00 0.00 H ATOM 152 N LYS A 19 7.997 -21.040 1.751 1.00 17.47 N ATOM 153 CA LYS A 19 7.441 -21.842 0.674 1.00 17.67 C ATOM 154 C LYS A 19 5.934 -21.923 0.858 1.00 16.43 C ATOM 155 O LYS A 19 5.461 -22.410 1.884 1.00 19.37 O ATOM 156 CB LYS A 19 8.075 -23.235 0.663 1.00 18.80 C ATOM 157 CG LYS A 19 7.754 -24.066 -0.581 1.00 19.32 C ATOM 158 CD LYS A 19 8.534 -25.370 -0.538 1.00 22.93 C ATOM 159 CE LYS A 19 8.373 -26.206 -1.789 1.00 25.85 C ATOM 160 NZ LYS A 19 9.374 -27.329 -1.770 1.00 27.34 N ATOM 161 HZ1 LYS A 19 10.336 -26.934 -1.736 1.00 0.00 H ATOM 162 HZ2 LYS A 19 9.212 -27.922 -0.931 1.00 0.00 H ATOM 163 HZ3 LYS A 19 9.264 -27.904 -2.629 1.00 0.00 H ATOM 164 H LYS A 19 7.849 -21.335 2.737 1.00 0.00 H ATOM 165 N LEU A 20 5.201 -21.404 -0.123 1.00 14.27 N ATOM 166 CA LEU A 20 3.739 -21.391 -0.093 1.00 13.88 C ATOM 167 C LEU A 20 3.201 -22.567 -0.896 1.00 15.37 C ATOM 168 O LEU A 20 3.845 -23.027 -1.842 1.00 16.06 O ATOM 169 CB LEU A 20 3.185 -20.085 -0.670 1.00 14.74 C ATOM 170 CG LEU A 20 3.858 -18.788 -0.199 1.00 17.52 C ATOM 171 CD1 LEU A 20 3.136 -17.597 -0.805 1.00 18.65 C ATOM 172 CD2 LEU A 20 3.920 -18.669 1.325 1.00 18.40 C ATOM 173 H LEU A 20 5.687 -20.991 -0.944 1.00 0.00 H ATOM 174 N SER A 21 2.027 -23.061 -0.530 1.00 13.64 N ATOM 175 CA SER A 21 1.470 -24.164 -1.292 1.00 12.85 C ATOM 176 C SER A 21 0.053 -23.883 -1.798 1.00 13.82 C ATOM 177 O SER A 21 -0.676 -23.028 -1.291 1.00 14.75 O ATOM 178 CB SER A 21 1.486 -25.452 -0.455 1.00 15.87 C ATOM 179 OG SER A 21 0.609 -25.352 0.648 1.00 20.77 O ATOM 180 HG SER A 21 -0.313 -25.197 0.322 1.00 0.00 H ATOM 181 H SER A 21 1.516 -22.667 0.285 1.00 0.00 H ATOM 182 N CYS A 22 -0.314 -24.630 -2.828 1.00 12.27 N ATOM 183 CA CYS A 22 -1.582 -24.460 -3.511 1.00 12.23 C ATOM 184 C CYS A 22 -2.049 -25.870 -3.852 1.00 13.05 C ATOM 185 O CYS A 22 -1.561 -26.491 -4.801 1.00 14.31 O ATOM 186 CB CYS A 22 -1.414 -23.570 -4.749 1.00 12.53 C ATOM 187 SG CYS A 22 -2.845 -23.486 -5.842 1.00 14.17 S ATOM 188 H CYS A 22 0.335 -25.371 -3.162 1.00 0.00 H ATOM 189 N THR A 23 -2.940 -26.400 -3.022 1.00 12.26 N ATOM 190 CA THR A 23 -3.376 -27.788 -3.164 1.00 15.24 C ATOM 191 C THR A 23 -4.673 -27.801 -3.945 1.00 13.60 C ATOM 192 O THR A 23 -5.660 -27.184 -3.551 1.00 15.51 O ATOM 193 CB THR A 23 -3.551 -28.480 -1.804 1.00 19.10 C ATOM 194 OG1 THR A 23 -2.288 -28.495 -1.121 1.00 22.34 O ATOM 195 CG2 THR A 23 -4.025 -29.928 -1.998 1.00 20.98 C ATOM 196 HG1 THR A 23 -1.626 -28.990 -1.665 1.00 0.00 H ATOM 197 H THR A 23 -3.335 -25.817 -2.257 1.00 0.00 H ATOM 198 N VAL A 24 -4.658 -28.480 -5.088 1.00 13.39 N ATOM 199 CA VAL A 24 -5.806 -28.478 -5.970 1.00 15.22 C ATOM 200 C VAL A 24 -6.641 -29.740 -5.799 1.00 15.79 C ATOM 201 O VAL A 24 -6.108 -30.850 -5.764 1.00 17.10 O ATOM 202 CB VAL A 24 -5.361 -28.367 -7.430 1.00 14.88 C ATOM 203 CG1 VAL A 24 -6.560 -28.423 -8.379 1.00 15.31 C ATOM 204 CG2 VAL A 24 -4.496 -27.099 -7.637 1.00 14.81 C ATOM 205 H VAL A 24 -3.810 -29.020 -5.352 1.00 0.00 H ATOM 206 N SER A 25 -7.950 -29.556 -5.688 1.00 14.43 N ATOM 207 CA SER A 25 -8.871 -30.683 -5.636 1.00 16.14 C ATOM 208 C SER A 25 -9.920 -30.542 -6.732 1.00 17.20 C ATOM 209 O SER A 25 -10.291 -29.435 -7.122 1.00 18.73 O ATOM 210 CB SER A 25 -9.526 -30.770 -4.257 1.00 18.77 C ATOM 211 OG SER A 25 -10.347 -29.637 -4.035 1.00 25.01 O ATOM 212 HG SER A 25 -11.053 -29.601 -4.729 1.00 0.00 H ATOM 213 H SER A 25 -8.326 -28.588 -5.637 1.00 0.00 H ATOM 214 N GLY A 26 -10.375 -31.670 -7.265 1.00 18.41 N ATOM 215 CA GLY A 26 -11.396 -31.648 -8.298 1.00 18.89 C ATOM 216 C GLY A 26 -10.870 -31.359 -9.696 1.00 19.14 C ATOM 217 O GLY A 26 -11.641 -31.115 -10.634 1.00 19.07 O ATOM 218 H GLY A 26 -9.995 -32.581 -6.938 1.00 0.00 H ATOM 219 N PHE A 27 -9.548 -31.392 -9.836 1.00 17.99 N ATOM 220 CA PHE A 27 -8.899 -31.081 -11.100 1.00 16.96 C ATOM 221 C PHE A 27 -7.563 -31.791 -11.121 1.00 16.04 C ATOM 222 O PHE A 27 -6.845 -31.761 -10.128 1.00 19.66 O ATOM 223 CB PHE A 27 -8.723 -29.571 -11.261 1.00 17.84 C ATOM 224 CG PHE A 27 -8.241 -29.150 -12.614 1.00 18.58 C ATOM 225 CD1 PHE A 27 -9.129 -29.025 -13.669 1.00 20.84 C ATOM 226 CD2 PHE A 27 -6.904 -28.852 -12.828 1.00 18.98 C ATOM 227 CE1 PHE A 27 -8.694 -28.628 -14.923 1.00 22.39 C ATOM 228 CE2 PHE A 27 -6.450 -28.451 -14.081 1.00 20.03 C ATOM 229 CZ PHE A 27 -7.348 -28.339 -15.134 1.00 20.39 C ATOM 230 H PHE A 27 -8.960 -31.648 -9.017 1.00 0.00 H ATOM 231 N ASN A 28 -7.230 -32.442 -12.232 1.00 14.05 N ATOM 232 CA ASN A 28 -5.908 -33.070 -12.373 1.00 13.93 C ATOM 233 C ASN A 28 -4.896 -32.006 -12.792 1.00 14.44 C ATOM 234 O ASN A 28 -4.993 -31.498 -13.912 1.00 15.38 O ATOM 235 CB ASN A 28 -5.935 -34.187 -13.424 1.00 13.06 C ATOM 236 CG ASN A 28 -7.101 -35.155 -13.236 1.00 13.75 C ATOM 237 OD1 ASN A 28 -7.325 -35.652 -12.136 1.00 17.90 O ATOM 238 ND2 ASN A 28 -7.829 -35.450 -14.325 1.00 15.78 N ATOM 239 HD22 ASN A 28 -7.604 -35.005 -15.237 1.00 0.00 H ATOM 240 HD21 ASN A 28 -8.618 -36.124 -14.256 1.00 0.00 H ATOM 241 H ASN A 28 -7.915 -32.508 -13.012 1.00 0.00 H ATOM 242 N ILE A 29 -3.935 -31.644 -11.933 1.00 13.55 N ATOM 243 CA ILE A 29 -3.106 -30.488 -12.302 1.00 11.68 C ATOM 244 C ILE A 29 -2.185 -30.754 -13.489 1.00 12.54 C ATOM 245 O ILE A 29 -1.677 -29.799 -14.082 1.00 11.89 O ATOM 246 CB ILE A 29 -2.248 -29.941 -11.139 1.00 14.43 C ATOM 247 CG1 ILE A 29 -1.187 -30.932 -10.645 1.00 14.34 C ATOM 248 CG2 ILE A 29 -3.137 -29.459 -10.010 1.00 15.22 C ATOM 249 CD1 ILE A 29 -0.182 -30.259 -9.692 1.00 14.97 C ATOM 250 H ILE A 29 -3.782 -32.159 -11.043 1.00 0.00 H ATOM 251 N LYS A 30 -1.984 -32.021 -13.861 1.00 12.61 N ATOM 252 CA LYS A 30 -1.262 -32.295 -15.100 1.00 12.92 C ATOM 253 C LYS A 30 -2.010 -31.704 -16.297 1.00 12.92 C ATOM 254 O LYS A 30 -1.409 -31.446 -17.338 1.00 16.15 O ATOM 255 CB LYS A 30 -1.038 -33.801 -15.293 1.00 17.03 C ATOM 256 CG LYS A 30 -2.260 -34.591 -15.665 1.00 22.93 C ATOM 257 CD LYS A 30 -1.865 -36.023 -16.026 1.00 24.50 C ATOM 258 H LYS A 30 -2.338 -32.804 -13.275 1.00 0.00 H ATOM 259 N ASP A 31 -3.308 -31.446 -16.126 1.00 11.97 N ATOM 260 CA ASP A 31 -4.136 -30.946 -17.226 1.00 12.45 C ATOM 261 C ASP A 31 -3.953 -29.452 -17.592 1.00 11.34 C ATOM 262 O ASP A 31 -4.508 -28.997 -18.603 1.00 12.59 O ATOM 263 CB ASP A 31 -5.628 -31.177 -16.903 1.00 15.02 C ATOM 264 CG ASP A 31 -6.043 -32.643 -16.944 1.00 18.04 C ATOM 265 OD1 ASP A 31 -5.251 -33.534 -17.331 1.00 16.73 O ATOM 266 OD2 ASP A 31 -7.218 -32.899 -16.585 1.00 19.73 O ATOM 267 H ASP A 31 -3.740 -31.603 -15.193 1.00 0.00 H ATOM 268 N ASP A 32 -3.218 -28.678 -16.798 1.00 10.84 N ATOM 269 CA ASP A 32 -3.099 -27.243 -17.074 1.00 10.32 C ATOM 270 C ASP A 32 -1.956 -26.589 -16.313 1.00 10.02 C ATOM 271 O ASP A 32 -1.529 -27.082 -15.264 1.00 11.26 O ATOM 272 CB ASP A 32 -4.416 -26.525 -16.712 1.00 9.91 C ATOM 273 CG ASP A 32 -4.572 -25.173 -17.407 1.00 10.10 C ATOM 274 OD1 ASP A 32 -3.756 -24.826 -18.291 1.00 12.32 O ATOM 275 OD2 ASP A 32 -5.542 -24.458 -17.074 1.00 10.49 O ATOM 276 H ASP A 32 -2.727 -29.092 -15.980 1.00 0.00 H ATOM 277 N PHE A 33 -1.494 -25.458 -16.844 1.00 9.80 N ATOM 278 CA PHE A 33 -0.594 -24.583 -16.107 1.00 9.53 C ATOM 279 C PHE A 33 -1.203 -24.175 -14.782 1.00 9.13 C ATOM 280 O PHE A 33 -2.427 -24.024 -14.670 1.00 11.10 O ATOM 281 CB PHE A 33 -0.295 -23.309 -16.896 1.00 10.75 C ATOM 282 CG PHE A 33 0.271 -23.551 -18.242 1.00 10.10 C ATOM 283 CD1 PHE A 33 1.606 -23.910 -18.392 1.00 10.34 C ATOM 284 CD2 PHE A 33 -0.512 -23.420 -19.372 1.00 10.84 C ATOM 285 CE1 PHE A 33 2.143 -24.140 -19.642 1.00 14.97 C ATOM 286 CE2 PHE A 33 0.032 -23.637 -20.641 1.00 14.66 C ATOM 287 CZ PHE A 33 1.354 -24.009 -20.776 1.00 14.79 C ATOM 288 H PHE A 33 -1.783 -25.194 -17.808 1.00 0.00 H ATOM 289 N ILE A 34 -0.339 -23.951 -13.805 1.00 9.13 N ATOM 290 CA ILE A 34 -0.707 -23.234 -12.596 1.00 9.42 C ATOM 291 C ILE A 34 0.040 -21.909 -12.591 1.00 9.15 C ATOM 292 O ILE A 34 1.250 -21.865 -12.837 1.00 10.28 O ATOM 293 CB ILE A 34 -0.396 -24.054 -11.335 1.00 9.94 C ATOM 294 CG1 ILE A 34 -1.289 -25.290 -11.332 1.00 12.64 C ATOM 295 CG2 ILE A 34 -0.665 -23.243 -10.056 1.00 11.23 C ATOM 296 CD1 ILE A 34 -1.037 -26.282 -10.210 1.00 15.94 C ATOM 297 H ILE A 34 0.636 -24.300 -13.906 1.00 0.00 H ATOM 298 N HIS A 35 -0.717 -20.832 -12.379 1.00 9.54 N ATOM 299 CA HIS A 35 -0.191 -19.469 -12.383 1.00 10.14 C ATOM 300 C HIS A 35 -0.092 -18.917 -10.983 1.00 9.74 C ATOM 301 O HIS A 35 -0.917 -19.235 -10.134 1.00 10.09 O ATOM 302 CB HIS A 35 -1.084 -18.534 -13.205 1.00 9.86 C ATOM 303 CG HIS A 35 -1.328 -19.006 -14.598 1.00 9.73 C ATOM 304 ND1 HIS A 35 -0.753 -18.401 -15.691 1.00 9.83 N ATOM 305 CD2 HIS A 35 -2.103 -20.011 -15.082 1.00 9.75 C ATOM 306 CE1 HIS A 35 -1.137 -19.026 -16.791 1.00 10.84 C ATOM 307 NE2 HIS A 35 -1.972 -19.999 -16.450 1.00 9.59 N ATOM 308 H HIS A 35 -1.733 -20.969 -12.202 1.00 0.00 H ATOM 309 N TRP A 36 0.921 -18.084 -10.743 1.00 9.59 N ATOM 310 CA TRP A 36 1.046 -17.409 -9.468 1.00 9.24 C ATOM 311 C TRP A 36 1.002 -15.908 -9.669 1.00 11.98 C ATOM 312 O TRP A 36 1.628 -15.382 -10.595 1.00 10.77 O ATOM 313 CB TRP A 36 2.346 -17.800 -8.755 1.00 9.63 C ATOM 314 CG TRP A 36 2.326 -19.209 -8.246 1.00 10.78 C ATOM 315 CD1 TRP A 36 2.711 -20.335 -8.922 1.00 9.40 C ATOM 316 CD2 TRP A 36 1.901 -19.638 -6.952 1.00 10.34 C ATOM 317 NE1 TRP A 36 2.539 -21.441 -8.125 1.00 12.60 N ATOM 318 CE2 TRP A 36 2.039 -21.045 -6.912 1.00 10.57 C ATOM 319 CE3 TRP A 36 1.405 -18.972 -5.826 1.00 9.62 C ATOM 320 CZ2 TRP A 36 1.731 -21.796 -5.778 1.00 10.91 C ATOM 321 CZ3 TRP A 36 1.103 -19.728 -4.682 1.00 10.97 C ATOM 322 CH2 TRP A 36 1.256 -21.123 -4.679 1.00 11.14 C ATOM 323 HE1 TRP A 36 2.754 -22.421 -8.398 1.00 0.00 H ATOM 324 H TRP A 36 1.632 -17.916 -11.483 1.00 0.00 H ATOM 325 N MET A 37 0.257 -15.240 -8.793 1.00 11.60 N ATOM 326 CA MET A 37 0.082 -13.793 -8.818 1.00 11.05 C ATOM 327 C MET A 37 0.439 -13.200 -7.481 1.00 11.04 C ATOM 328 O MET A 37 0.329 -13.863 -6.438 1.00 11.80 O ATOM 329 CB MET A 37 -1.367 -13.421 -9.156 1.00 12.24 C ATOM 330 CG MET A 37 -1.693 -13.369 -10.648 1.00 15.61 C ATOM 331 SD MET A 37 -1.745 -14.978 -11.420 1.00 20.61 S ATOM 332 CE MET A 37 -2.971 -15.781 -10.387 1.00 19.46 C ATOM 333 H MET A 37 -0.228 -15.780 -8.048 1.00 0.00 H ATOM 334 N LYS A 38 0.854 -11.944 -7.525 1.00 12.47 N ATOM 335 CA LYS A 38 1.191 -11.183 -6.337 1.00 10.34 C ATOM 336 C LYS A 38 0.293 -9.950 -6.283 1.00 11.28 C ATOM 337 O LYS A 38 0.075 -9.321 -7.304 1.00 13.19 O ATOM 338 CB LYS A 38 2.667 -10.781 -6.377 1.00 10.58 C ATOM 339 CG LYS A 38 3.153 -9.952 -5.196 1.00 11.43 C ATOM 340 CD LYS A 38 4.592 -9.517 -5.444 1.00 12.57 C ATOM 341 CE LYS A 38 5.105 -8.698 -4.277 1.00 13.91 C ATOM 342 NZ LYS A 38 6.554 -8.321 -4.465 1.00 17.35 N ATOM 343 HZ1 LYS A 38 7.129 -9.185 -4.541 1.00 0.00 H ATOM 344 HZ2 LYS A 38 6.655 -7.758 -5.334 1.00 0.00 H ATOM 345 HZ3 LYS A 38 6.874 -7.761 -3.649 1.00 0.00 H ATOM 346 H LYS A 38 0.942 -11.482 -8.453 1.00 0.00 H ATOM 347 N GLN A 39 -0.194 -9.579 -5.098 1.00 10.78 N ATOM 348 CA GLN A 39 -0.984 -8.350 -4.969 1.00 11.56 C ATOM 349 C GLN A 39 -0.564 -7.529 -3.763 1.00 14.80 C ATOM 350 O GLN A 39 -0.513 -8.021 -2.633 1.00 16.88 O ATOM 351 CB GLN A 39 -2.496 -8.659 -4.889 1.00 11.31 C ATOM 352 CG GLN A 39 -3.369 -7.408 -4.901 1.00 14.12 C ATOM 353 CD GLN A 39 -4.852 -7.704 -5.060 1.00 15.84 C ATOM 354 OE1 GLN A 39 -5.333 -8.777 -4.686 1.00 16.08 O ATOM 355 NE2 GLN A 39 -5.589 -6.751 -5.644 1.00 15.92 N ATOM 356 HE22 GLN A 39 -5.144 -5.860 -5.945 1.00 0.00 H ATOM 357 HE21 GLN A 39 -6.607 -6.901 -5.797 1.00 0.00 H ATOM 358 H GLN A 39 -0.012 -10.166 -4.259 1.00 0.00 H ATOM 359 N ARG A 40 -0.286 -6.257 -4.023 1.00 15.28 N ATOM 360 CA ARG A 40 -0.012 -5.275 -2.990 1.00 17.89 C ATOM 361 C ARG A 40 -0.964 -4.119 -3.216 1.00 23.58 C ATOM 362 O ARG A 40 -1.333 -3.840 -4.356 1.00 24.00 O ATOM 363 CB ARG A 40 1.435 -4.800 -3.051 1.00 21.23 C ATOM 364 CG ARG A 40 2.430 -5.841 -2.639 1.00 20.94 C ATOM 365 CD ARG A 40 3.845 -5.355 -2.919 1.00 22.99 C ATOM 366 NE ARG A 40 4.085 -5.221 -4.354 1.00 26.19 N ATOM 367 CZ ARG A 40 5.105 -4.550 -4.882 1.00 31.06 C ATOM 368 NH1 ARG A 40 5.971 -3.934 -4.091 1.00 35.14 N ATOM 369 NH2 ARG A 40 5.253 -4.487 -6.201 1.00 31.63 N ATOM 370 HE ARG A 40 3.415 -5.680 -5.004 1.00 0.00 H ATOM 371 HH12 ARG A 40 6.769 -3.409 -4.502 1.00 0.00 H ATOM 372 HH11 ARG A 40 5.853 -3.975 -3.059 1.00 0.00 H ATOM 373 HH22 ARG A 40 6.052 -3.961 -6.610 1.00 0.00 H ATOM 374 HH21 ARG A 40 4.570 -4.963 -6.824 1.00 0.00 H ATOM 375 H ARG A 40 -0.263 -5.949 -5.016 1.00 0.00 H ATOM 376 N PRO A 41 -1.379 -3.445 -2.140 1.00 25.96 N ATOM 377 CA PRO A 41 -2.421 -2.425 -2.312 1.00 27.19 C ATOM 378 C PRO A 41 -1.991 -1.266 -3.212 1.00 27.75 C ATOM 379 O PRO A 41 -2.845 -0.701 -3.900 1.00 28.76 O ATOM 380 CB PRO A 41 -2.681 -1.944 -0.877 1.00 27.85 C ATOM 381 CG PRO A 41 -1.465 -2.338 -0.106 1.00 27.73 C ATOM 382 CD PRO A 41 -0.978 -3.603 -0.734 1.00 24.42 C ATOM 383 N GLU A 42 -0.699 -0.937 -3.227 1.00 28.14 N ATOM 384 CA GLU A 42 -0.214 0.185 -4.030 1.00 30.49 C ATOM 385 C GLU A 42 0.241 -0.226 -5.435 1.00 31.99 C ATOM 386 O GLU A 42 -0.128 0.416 -6.416 1.00 32.86 O ATOM 387 CB GLU A 42 0.934 0.903 -3.313 1.00 32.34 C ATOM 388 H GLU A 42 -0.025 -1.488 -2.658 1.00 0.00 H ATOM 389 N GLN A 43 1.045 -1.285 -5.532 1.00 30.78 N ATOM 390 CA GLN A 43 1.576 -1.734 -6.822 1.00 28.98 C ATOM 391 C GLN A 43 0.627 -2.672 -7.571 1.00 23.69 C ATOM 392 O GLN A 43 0.854 -3.007 -8.735 1.00 26.41 O ATOM 393 CB GLN A 43 2.922 -2.418 -6.628 1.00 32.73 C ATOM 394 CG GLN A 43 4.024 -1.501 -6.086 1.00 36.37 C ATOM 395 CD GLN A 43 3.895 -1.207 -4.598 1.00 39.20 C ATOM 396 OE1 GLN A 43 3.050 -1.780 -3.904 1.00 37.58 O ATOM 397 NE2 GLN A 43 4.737 -0.301 -4.101 1.00 42.27 N ATOM 398 HE22 GLN A 43 5.434 0.158 -4.722 1.00 0.00 H ATOM 399 HE21 GLN A 43 4.697 -0.053 -3.092 1.00 0.00 H ATOM 400 H GLN A 43 1.302 -1.806 -4.670 1.00 0.00 H ATOM 401 N GLY A 44 -0.435 -3.095 -6.901 1.00 18.68 N ATOM 402 CA GLY A 44 -1.508 -3.824 -7.558 1.00 14.64 C ATOM 403 C GLY A 44 -1.174 -5.273 -7.864 1.00 14.68 C ATOM 404 O GLY A 44 -0.374 -5.907 -7.167 1.00 16.48 O ATOM 405 H GLY A 44 -0.503 -2.901 -5.881 1.00 0.00 H ATOM 406 N LEU A 45 -1.796 -5.784 -8.915 1.00 13.09 N ATOM 407 CA LEU A 45 -1.698 -7.203 -9.267 1.00 11.56 C ATOM 408 C LEU A 45 -0.587 -7.434 -10.261 1.00 11.58 C ATOM 409 O LEU A 45 -0.483 -6.726 -11.261 1.00 13.04 O ATOM 410 CB LEU A 45 -3.013 -7.714 -9.846 1.00 11.03 C ATOM 411 CG LEU A 45 -4.057 -8.150 -8.821 1.00 13.30 C ATOM 412 CD1 LEU A 45 -5.417 -8.149 -9.463 1.00 14.13 C ATOM 413 CD2 LEU A 45 -3.720 -9.550 -8.285 1.00 13.96 C ATOM 414 H LEU A 45 -2.374 -5.157 -9.511 1.00 0.00 H ATOM 415 N GLU A 46 0.242 -8.435 -9.977 1.00 12.07 N ATOM 416 CA GLU A 46 1.350 -8.819 -10.848 1.00 11.54 C ATOM 417 C GLU A 46 1.341 -10.316 -11.076 1.00 13.05 C ATOM 418 O GLU A 46 1.063 -11.079 -10.163 1.00 14.35 O ATOM 419 CB GLU A 46 2.691 -8.419 -10.237 1.00 12.82 C ATOM 420 CG GLU A 46 2.896 -6.919 -10.075 1.00 14.51 C ATOM 421 CD GLU A 46 4.194 -6.625 -9.379 1.00 19.44 C ATOM 422 OE1 GLU A 46 4.298 -6.902 -8.166 1.00 18.97 O ATOM 423 OE2 GLU A 46 5.115 -6.119 -10.047 1.00 22.92 O ATOM 424 H GLU A 46 0.095 -8.968 -9.096 1.00 0.00 H ATOM 425 N TRP A 47 1.658 -10.726 -12.296 1.00 10.92 N ATOM 426 CA TRP A 47 1.797 -12.140 -12.634 1.00 11.28 C ATOM 427 C TRP A 47 3.240 -12.553 -12.393 1.00 12.20 C ATOM 428 O TRP A 47 4.172 -11.963 -12.951 1.00 13.03 O ATOM 429 CB TRP A 47 1.404 -12.357 -14.083 1.00 9.42 C ATOM 430 CG TRP A 47 1.484 -13.751 -14.628 1.00 10.14 C ATOM 431 CD1 TRP A 47 0.557 -14.728 -14.482 1.00 12.38 C ATOM 432 CD2 TRP A 47 2.509 -14.292 -15.477 1.00 11.18 C ATOM 433 NE1 TRP A 47 0.941 -15.859 -15.175 1.00 11.35 N ATOM 434 CE2 TRP A 47 2.131 -15.612 -15.802 1.00 10.80 C ATOM 435 CE3 TRP A 47 3.700 -13.787 -15.999 1.00 10.67 C ATOM 436 CZ2 TRP A 47 2.910 -16.440 -16.612 1.00 11.39 C ATOM 437 CZ3 TRP A 47 4.485 -14.607 -16.801 1.00 11.65 C ATOM 438 CH2 TRP A 47 4.083 -15.927 -17.104 1.00 9.72 C ATOM 439 HE1 TRP A 47 0.411 -16.753 -15.214 1.00 0.00 H ATOM 440 H TRP A 47 1.813 -10.015 -13.039 1.00 0.00 H ATOM 441 N ILE A 48 3.439 -13.543 -11.535 1.00 10.70 N ATOM 442 CA ILE A 48 4.789 -14.016 -11.234 1.00 11.66 C ATOM 443 C ILE A 48 5.293 -14.989 -12.302 1.00 11.39 C ATOM 444 O ILE A 48 6.466 -14.979 -12.707 1.00 13.04 O ATOM 445 CB ILE A 48 4.806 -14.688 -9.850 1.00 11.71 C ATOM 446 CG1 ILE A 48 4.553 -13.652 -8.756 1.00 13.70 C ATOM 447 CG2 ILE A 48 6.124 -15.413 -9.590 1.00 11.65 C ATOM 448 CD1 ILE A 48 4.216 -14.307 -7.397 1.00 14.43 C ATOM 449 H ILE A 48 2.623 -13.990 -11.069 1.00 0.00 H ATOM 450 N GLY A 49 4.392 -15.844 -12.765 1.00 10.58 N ATOM 451 CA GLY A 49 4.775 -16.830 -13.756 1.00 11.17 C ATOM 452 C GLY A 49 3.818 -17.991 -13.768 1.00 10.47 C ATOM 453 O GLY A 49 2.818 -17.989 -13.049 1.00 11.64 O ATOM 454 H GLY A 49 3.412 -15.807 -12.418 1.00 0.00 H ATOM 455 N ARG A 50 4.104 -18.974 -14.614 1.00 10.41 N ATOM 456 CA ARG A 50 3.302 -20.202 -14.648 1.00 11.69 C ATOM 457 C ARG A 50 4.202 -21.433 -14.696 1.00 11.81 C ATOM 458 O ARG A 50 5.321 -21.391 -15.218 1.00 11.33 O ATOM 459 CB ARG A 50 2.332 -20.210 -15.839 1.00 12.44 C ATOM 460 CG ARG A 50 3.003 -20.259 -17.203 1.00 13.57 C ATOM 461 CD ARG A 50 2.055 -20.205 -18.423 1.00 14.15 C ATOM 462 NE ARG A 50 2.923 -20.060 -19.575 1.00 13.56 N ATOM 463 CZ ARG A 50 3.214 -18.902 -20.170 1.00 15.39 C ATOM 464 NH1 ARG A 50 2.578 -17.778 -19.840 1.00 12.90 N ATOM 465 NH2 ARG A 50 4.092 -18.885 -21.160 1.00 17.12 N ATOM 466 HE ARG A 50 3.351 -20.923 -19.967 1.00 0.00 H ATOM 467 HH12 ARG A 50 2.819 -16.885 -20.316 1.00 0.00 H ATOM 468 HH11 ARG A 50 1.840 -17.794 -19.107 1.00 0.00 H ATOM 469 HH22 ARG A 50 4.327 -17.988 -21.631 1.00 0.00 H ATOM 470 HH21 ARG A 50 4.547 -19.768 -21.467 1.00 0.00 H ATOM 471 H ARG A 50 4.910 -18.872 -15.263 1.00 0.00 H ATOM 472 N ILE A 51 3.702 -22.534 -14.142 1.00 11.17 N ATOM 473 CA ILE A 51 4.396 -23.807 -14.217 1.00 11.23 C ATOM 474 C ILE A 51 3.496 -24.817 -14.892 1.00 10.77 C ATOM 475 O ILE A 51 2.274 -24.803 -14.679 1.00 12.03 O ATOM 476 CB ILE A 51 4.805 -24.324 -12.814 1.00 11.16 C ATOM 477 CG1 ILE A 51 5.533 -25.655 -12.932 1.00 11.41 C ATOM 478 CG2 ILE A 51 3.586 -24.421 -11.885 1.00 10.11 C ATOM 479 CD1 ILE A 51 6.297 -26.028 -11.666 1.00 12.93 C ATOM 480 H ILE A 51 2.791 -22.482 -13.643 1.00 0.00 H ATOM 481 N ASP A 52 4.088 -25.695 -15.697 1.00 11.40 N ATOM 482 CA ASP A 52 3.370 -26.815 -16.279 1.00 11.73 C ATOM 483 C ASP A 52 3.637 -28.038 -15.421 1.00 12.62 C ATOM 484 O ASP A 52 4.724 -28.589 -15.449 1.00 12.11 O ATOM 485 CB ASP A 52 3.819 -27.043 -17.729 1.00 12.16 C ATOM 486 CG ASP A 52 3.030 -28.144 -18.432 1.00 14.38 C ATOM 487 OD1 ASP A 52 2.382 -28.961 -17.749 1.00 14.65 O ATOM 488 OD2 ASP A 52 3.098 -28.217 -19.689 1.00 14.16 O ATOM 489 H ASP A 52 5.097 -25.575 -15.917 1.00 0.00 H ATOM 490 N PRO A 53 2.647 -28.474 -14.639 1.00 11.28 N ATOM 491 CA PRO A 53 2.928 -29.586 -13.726 1.00 11.63 C ATOM 492 C PRO A 53 3.178 -30.909 -14.455 1.00 12.35 C ATOM 493 O PRO A 53 3.738 -31.836 -13.867 1.00 14.24 O ATOM 494 CB PRO A 53 1.653 -29.675 -12.878 1.00 11.25 C ATOM 495 CG PRO A 53 1.008 -28.301 -13.025 1.00 12.45 C ATOM 496 CD PRO A 53 1.292 -27.934 -14.446 1.00 10.73 C ATOM 497 N ALA A 54 2.775 -31.005 -15.718 1.00 12.55 N ATOM 498 CA ALA A 54 2.956 -32.259 -16.438 1.00 14.30 C ATOM 499 C ALA A 54 4.428 -32.510 -16.765 1.00 15.09 C ATOM 500 O ALA A 54 4.836 -33.659 -16.922 1.00 16.84 O ATOM 501 CB ALA A 54 2.123 -32.272 -17.709 1.00 17.53 C ATOM 502 H ALA A 54 2.333 -30.190 -16.190 1.00 0.00 H ATOM 503 N ASN A 55 5.216 -31.443 -16.875 1.00 14.07 N ATOM 504 CA ASN A 55 6.634 -31.606 -17.247 1.00 14.54 C ATOM 505 C ASN A 55 7.590 -30.760 -16.404 1.00 15.66 C ATOM 506 O ASN A 55 8.814 -30.846 -16.560 1.00 16.88 O ATOM 507 CB ASN A 55 6.842 -31.292 -18.746 1.00 16.13 C ATOM 508 CG ASN A 55 6.418 -29.892 -19.125 1.00 16.96 C ATOM 509 OD1 ASN A 55 6.270 -29.027 -18.277 1.00 15.52 O ATOM 510 ND2 ASN A 55 6.257 -29.655 -20.420 1.00 20.13 N ATOM 511 HD22 ASN A 55 6.393 -30.421 -21.110 1.00 0.00 H ATOM 512 HD21 ASN A 55 5.995 -28.703 -20.746 1.00 0.00 H ATOM 513 H ASN A 55 4.831 -30.493 -16.698 1.00 0.00 H ATOM 514 N GLY A 56 7.049 -29.965 -15.494 1.00 13.54 N ATOM 515 CA GLY A 56 7.904 -29.155 -14.643 1.00 14.24 C ATOM 516 C GLY A 56 8.404 -27.865 -15.271 1.00 14.91 C ATOM 517 O GLY A 56 9.152 -27.112 -14.629 1.00 15.78 O ATOM 518 H GLY A 56 6.015 -29.920 -15.389 1.00 0.00 H ATOM 519 N TYR A 57 8.023 -27.598 -16.521 1.00 13.79 N ATOM 520 CA TYR A 57 8.537 -26.413 -17.222 1.00 15.36 C ATOM 521 C TYR A 57 8.006 -25.128 -16.588 1.00 15.23 C ATOM 522 O TYR A 57 6.813 -25.015 -16.292 1.00 14.55 O ATOM 523 CB TYR A 57 8.170 -26.445 -18.713 1.00 17.99 C ATOM 524 CG TYR A 57 8.454 -25.137 -19.445 1.00 24.46 C ATOM 525 CD1 TYR A 57 7.433 -24.237 -19.726 1.00 25.60 C ATOM 526 CD2 TYR A 57 9.739 -24.796 -19.830 1.00 28.67 C ATOM 527 CE1 TYR A 57 7.689 -23.039 -20.386 1.00 27.43 C ATOM 528 CE2 TYR A 57 10.003 -23.602 -20.494 1.00 29.82 C ATOM 529 CZ TYR A 57 8.974 -22.726 -20.763 1.00 28.86 C ATOM 530 OH TYR A 57 9.229 -21.534 -21.415 1.00 29.12 O ATOM 531 HH TYR A 57 8.383 -21.032 -21.525 1.00 0.00 H ATOM 532 H TYR A 57 7.356 -28.234 -17.004 1.00 0.00 H ATOM 533 N THR A 58 8.889 -24.157 -16.382 1.00 13.88 N ATOM 534 CA THR A 58 8.498 -22.886 -15.796 1.00 13.53 C ATOM 535 C THR A 58 8.814 -21.673 -16.672 1.00 14.29 C ATOM 536 O THR A 58 9.792 -21.660 -17.425 1.00 17.99 O ATOM 537 CB THR A 58 9.186 -22.665 -14.445 1.00 15.26 C ATOM 538 OG1 THR A 58 10.606 -22.773 -14.629 1.00 15.13 O ATOM 539 CG2 THR A 58 8.703 -23.667 -13.411 1.00 15.14 C ATOM 540 HG1 THR A 58 10.907 -22.087 -15.277 1.00 0.00 H ATOM 541 H THR A 58 9.883 -24.310 -16.646 1.00 0.00 H ATOM 542 N LYS A 59 7.981 -20.647 -16.533 1.00 16.36 N ATOM 543 CA LYS A 59 8.159 -19.358 -17.191 1.00 15.00 C ATOM 544 C LYS A 59 7.860 -18.294 -16.156 1.00 14.60 C ATOM 545 O LYS A 59 6.776 -18.280 -15.574 1.00 14.26 O ATOM 546 CB LYS A 59 7.232 -19.201 -18.402 1.00 15.18 C ATOM 547 CG LYS A 59 7.293 -17.828 -19.086 1.00 17.64 C ATOM 548 CD LYS A 59 8.676 -17.594 -19.681 1.00 19.06 C ATOM 549 CE LYS A 59 8.767 -16.264 -20.420 1.00 20.99 C ATOM 550 NZ LYS A 59 8.137 -16.348 -21.775 1.00 21.76 N ATOM 551 HZ1 LYS A 59 8.625 -17.073 -22.338 1.00 0.00 H ATOM 552 HZ2 LYS A 59 7.134 -16.602 -21.674 1.00 0.00 H ATOM 553 HZ3 LYS A 59 8.216 -15.427 -22.251 1.00 0.00 H ATOM 554 H LYS A 59 7.152 -20.771 -15.918 1.00 0.00 H ATOM 555 N TYR A 60 8.825 -17.400 -15.938 1.00 13.52 N ATOM 556 CA TYR A 60 8.696 -16.333 -14.952 1.00 15.01 C ATOM 557 C TYR A 60 8.641 -14.964 -15.601 1.00 14.95 C ATOM 558 O TYR A 60 9.204 -14.752 -16.673 1.00 17.44 O ATOM 559 CB TYR A 60 9.882 -16.352 -13.977 1.00 13.94 C ATOM 560 CG TYR A 60 10.049 -17.624 -13.188 1.00 15.67 C ATOM 561 CD1 TYR A 60 10.707 -18.724 -13.727 1.00 15.74 C ATOM 562 CD2 TYR A 60 9.586 -17.709 -11.884 1.00 15.22 C ATOM 563 CE1 TYR A 60 10.867 -19.904 -12.989 1.00 15.58 C ATOM 564 CE2 TYR A 60 9.736 -18.874 -11.142 1.00 15.21 C ATOM 565 CZ TYR A 60 10.387 -19.956 -11.695 1.00 14.84 C ATOM 566 OH TYR A 60 10.536 -21.107 -10.964 1.00 14.98 O ATOM 567 HH TYR A 60 11.022 -21.779 -11.505 1.00 0.00 H ATOM 568 H TYR A 60 9.703 -17.466 -16.492 1.00 0.00 H ATOM 569 N ALA A 61 7.969 -14.026 -14.956 1.00 14.52 N ATOM 570 CA ALA A 61 8.192 -12.622 -15.275 1.00 16.06 C ATOM 571 C ALA A 61 9.638 -12.292 -14.865 1.00 17.84 C ATOM 572 O ALA A 61 10.082 -12.740 -13.823 1.00 16.78 O ATOM 573 CB ALA A 61 7.202 -11.746 -14.542 1.00 17.02 C ATOM 574 H ALA A 61 7.282 -14.290 -14.221 1.00 0.00 H ATOM 575 N PRO A 62 10.384 -11.524 -15.688 1.00 22.11 N ATOM 576 CA PRO A 62 11.791 -11.214 -15.382 1.00 23.51 C ATOM 577 C PRO A 62 12.010 -10.628 -13.989 1.00 20.28 C ATOM 578 O PRO A 62 13.026 -10.946 -13.372 1.00 23.25 O ATOM 579 CB PRO A 62 12.171 -10.198 -16.465 1.00 24.03 C ATOM 580 CG PRO A 62 11.328 -10.600 -17.627 1.00 23.22 C ATOM 581 CD PRO A 62 10.009 -11.073 -17.037 1.00 22.59 C ATOM 582 N LYS A 63 11.069 -9.843 -13.469 1.00 20.15 N ATOM 583 CA LYS A 63 11.320 -9.267 -12.153 1.00 22.80 C ATOM 584 C LYS A 63 11.241 -10.335 -11.047 1.00 18.70 C ATOM 585 O LYS A 63 11.678 -10.077 -9.918 1.00 18.33 O ATOM 586 CB LYS A 63 10.358 -8.105 -11.865 1.00 25.61 C ATOM 587 CG LYS A 63 9.030 -8.498 -11.323 1.00 27.14 C ATOM 588 CD LYS A 63 8.104 -7.285 -11.113 1.00 28.00 C ATOM 589 CE LYS A 63 8.607 -6.329 -10.026 1.00 28.57 C ATOM 590 NZ LYS A 63 7.623 -5.210 -9.741 1.00 26.87 N ATOM 591 HZ1 LYS A 63 7.467 -4.658 -10.608 1.00 0.00 H ATOM 592 HZ2 LYS A 63 6.721 -5.616 -9.420 1.00 0.00 H ATOM 593 HZ3 LYS A 63 8.009 -4.591 -9.000 1.00 0.00 H ATOM 594 H LYS A 63 10.186 -9.647 -13.983 1.00 0.00 H ATOM 595 N PHE A 64 10.722 -11.528 -11.364 1.00 16.56 N ATOM 596 CA PHE A 64 10.650 -12.575 -10.343 1.00 17.90 C ATOM 597 C PHE A 64 11.628 -13.724 -10.521 1.00 21.51 C ATOM 598 O PHE A 64 11.606 -14.683 -9.751 1.00 22.00 O ATOM 599 CB PHE A 64 9.230 -13.125 -10.264 1.00 17.83 C ATOM 600 CG PHE A 64 8.268 -12.130 -9.720 1.00 16.35 C ATOM 601 CD1 PHE A 64 8.257 -11.846 -8.365 1.00 17.35 C ATOM 602 CD2 PHE A 64 7.420 -11.426 -10.565 1.00 14.45 C ATOM 603 CE1 PHE A 64 7.394 -10.896 -7.845 1.00 18.68 C ATOM 604 CE2 PHE A 64 6.558 -10.463 -10.055 1.00 14.88 C ATOM 605 CZ PHE A 64 6.538 -10.198 -8.697 1.00 16.60 C ATOM 606 H PHE A 64 10.373 -11.709 -12.327 1.00 0.00 H ATOM 607 N GLN A 65 12.515 -13.609 -11.498 1.00 24.37 N ATOM 608 CA GLN A 65 13.379 -14.733 -11.854 1.00 28.66 C ATOM 609 C GLN A 65 14.378 -15.183 -10.793 1.00 33.96 C ATOM 610 O GLN A 65 14.786 -16.337 -10.794 1.00 34.98 O ATOM 611 CB GLN A 65 14.137 -14.410 -13.126 1.00 28.48 C ATOM 612 CG GLN A 65 13.314 -14.601 -14.372 1.00 26.31 C ATOM 613 CD GLN A 65 14.182 -14.602 -15.604 1.00 30.88 C ATOM 614 OE1 GLN A 65 14.538 -13.547 -16.116 1.00 26.96 O ATOM 615 NE2 GLN A 65 14.552 -15.788 -16.074 1.00 35.56 N ATOM 616 HE22 GLN A 65 14.225 -16.658 -15.607 1.00 0.00 H ATOM 617 HE21 GLN A 65 15.169 -15.847 -16.909 1.00 0.00 H ATOM 618 H GLN A 65 12.597 -12.711 -12.016 1.00 0.00 H ATOM 619 N ASP A 66 14.798 -14.298 -9.901 1.00 35.86 N ATOM 620 CA ASP A 66 15.686 -14.760 -8.839 1.00 38.90 C ATOM 621 C ASP A 66 15.077 -14.472 -7.479 1.00 34.34 C ATOM 622 O ASP A 66 15.783 -14.284 -6.491 1.00 40.26 O ATOM 623 CB ASP A 66 17.084 -14.132 -8.964 1.00 46.54 C ATOM 624 CG ASP A 66 17.061 -12.617 -8.917 1.00 50.59 C ATOM 625 OD1 ASP A 66 15.960 -12.023 -8.929 1.00 52.32 O ATOM 626 OD2 ASP A 66 18.154 -12.013 -8.873 1.00 52.01 O ATOM 627 H ASP A 66 14.503 -13.302 -9.956 1.00 0.00 H ATOM 628 N LYS A 67 13.753 -14.433 -7.439 1.00 25.57 N ATOM 629 CA LYS A 67 13.034 -14.275 -6.185 1.00 25.24 C ATOM 630 C LYS A 67 12.132 -15.474 -5.961 1.00 23.86 C ATOM 631 O LYS A 67 12.008 -15.985 -4.844 1.00 23.94 O ATOM 632 CB LYS A 67 12.209 -12.977 -6.186 1.00 27.21 C ATOM 633 CG LYS A 67 11.195 -12.869 -5.048 1.00 28.41 C ATOM 634 CD LYS A 67 11.879 -12.783 -3.696 1.00 28.00 C ATOM 635 CE LYS A 67 12.761 -11.539 -3.605 1.00 27.78 C ATOM 636 NZ LYS A 67 13.361 -11.368 -2.260 1.00 30.63 N ATOM 637 HZ1 LYS A 67 12.604 -11.278 -1.553 1.00 0.00 H ATOM 638 HZ2 LYS A 67 13.949 -12.196 -2.036 1.00 0.00 H ATOM 639 HZ3 LYS A 67 13.950 -10.511 -2.251 1.00 0.00 H ATOM 640 H LYS A 67 13.216 -14.517 -8.325 1.00 0.00 H ATOM 641 N ALA A 68 11.504 -15.930 -7.038 1.00 19.52 N ATOM 642 CA ALA A 68 10.531 -16.995 -6.922 1.00 18.75 C ATOM 643 C ALA A 68 10.998 -18.260 -7.594 1.00 18.10 C ATOM 644 O ALA A 68 11.629 -18.219 -8.645 1.00 19.23 O ATOM 645 CB ALA A 68 9.197 -16.563 -7.511 1.00 18.41 C ATOM 646 H ALA A 68 11.712 -15.520 -7.971 1.00 0.00 H ATOM 647 N THR A 69 10.661 -19.386 -6.978 1.00 16.08 N ATOM 648 CA THR A 69 10.827 -20.687 -7.605 1.00 15.32 C ATOM 649 C THR A 69 9.495 -21.431 -7.563 1.00 15.38 C ATOM 650 O THR A 69 8.963 -21.672 -6.487 1.00 15.45 O ATOM 651 CB THR A 69 11.923 -21.539 -6.906 1.00 18.50 C ATOM 652 OG1 THR A 69 13.172 -20.833 -6.910 1.00 20.52 O ATOM 653 CG2 THR A 69 12.098 -22.853 -7.627 1.00 20.93 C ATOM 654 HG1 THR A 69 13.067 -19.976 -6.425 1.00 0.00 H ATOM 655 H THR A 69 10.266 -19.336 -6.017 1.00 0.00 H ATOM 656 N MET A 70 8.950 -21.770 -8.731 1.00 13.12 N ATOM 657 CA MET A 70 7.704 -22.534 -8.803 1.00 12.08 C ATOM 658 C MET A 70 8.021 -24.008 -8.964 1.00 13.76 C ATOM 659 O MET A 70 8.840 -24.367 -9.805 1.00 16.77 O ATOM 660 CB MET A 70 6.847 -22.065 -9.980 1.00 13.03 C ATOM 661 CG MET A 70 6.344 -20.641 -9.865 1.00 15.39 C ATOM 662 SD MET A 70 5.467 -20.125 -11.353 1.00 13.26 S ATOM 663 CE MET A 70 6.803 -20.125 -12.558 1.00 13.74 C ATOM 664 H MET A 70 9.422 -21.485 -9.613 1.00 0.00 H ATOM 665 N THR A 71 7.389 -24.856 -8.157 1.00 12.19 N ATOM 666 CA THR A 71 7.472 -26.300 -8.367 1.00 13.40 C ATOM 667 C THR A 71 6.073 -26.903 -8.274 1.00 14.96 C ATOM 668 O THR A 71 5.118 -26.242 -7.864 1.00 13.44 O ATOM 669 CB THR A 71 8.390 -26.991 -7.350 1.00 15.05 C ATOM 670 OG1 THR A 71 7.974 -26.646 -6.021 1.00 17.27 O ATOM 671 CG2 THR A 71 9.836 -26.581 -7.557 1.00 14.47 C ATOM 672 HG1 THR A 71 8.029 -25.665 -5.904 1.00 0.00 H ATOM 673 H THR A 71 6.827 -24.486 -7.364 1.00 0.00 H ATOM 674 N ALA A 72 5.941 -28.161 -8.675 1.00 14.07 N ATOM 675 CA ALA A 72 4.655 -28.825 -8.559 1.00 13.83 C ATOM 676 C ALA A 72 4.864 -30.318 -8.417 1.00 17.77 C ATOM 677 O ALA A 72 5.908 -30.847 -8.803 1.00 20.39 O ATOM 678 CB ALA A 72 3.766 -28.506 -9.775 1.00 16.71 C ATOM 679 H ALA A 72 6.757 -28.670 -9.071 1.00 0.00 H ATOM 680 N ASP A 73 3.863 -30.978 -7.852 1.00 17.73 N ATOM 681 CA ASP A 73 3.872 -32.425 -7.687 1.00 19.71 C ATOM 682 C ASP A 73 2.521 -32.964 -8.102 1.00 20.55 C ATOM 683 O ASP A 73 1.512 -32.685 -7.447 1.00 19.91 O ATOM 684 CB ASP A 73 4.171 -32.805 -6.242 1.00 23.98 C ATOM 685 CG ASP A 73 5.574 -32.451 -5.830 1.00 28.61 C ATOM 686 OD1 ASP A 73 6.468 -32.471 -6.707 1.00 31.10 O ATOM 687 OD2 ASP A 73 5.790 -32.169 -4.629 1.00 29.76 O ATOM 688 H ASP A 73 3.039 -30.442 -7.513 1.00 0.00 H ATOM 689 N THR A 74 2.485 -33.716 -9.199 1.00 20.88 N ATOM 690 CA THR A 74 1.229 -34.282 -9.654 1.00 23.14 C ATOM 691 C THR A 74 0.776 -35.342 -8.654 1.00 23.22 C ATOM 692 O THR A 74 -0.414 -35.539 -8.469 1.00 26.05 O ATOM 693 CB THR A 74 1.343 -34.896 -11.065 1.00 23.67 C ATOM 694 OG1 THR A 74 2.510 -35.726 -11.132 1.00 24.36 O ATOM 695 CG2 THR A 74 1.431 -33.788 -12.128 1.00 22.76 C ATOM 696 HG1 THR A 74 3.314 -35.179 -10.943 1.00 0.00 H ATOM 697 H THR A 74 3.359 -33.899 -9.732 1.00 0.00 H ATOM 698 N SER A 75 1.738 -35.981 -7.991 1.00 25.62 N ATOM 699 CA SER A 75 1.446 -37.036 -7.019 1.00 27.14 C ATOM 700 C SER A 75 0.532 -36.533 -5.900 1.00 26.68 C ATOM 701 O SER A 75 -0.279 -37.293 -5.378 1.00 27.85 O ATOM 702 CB SER A 75 2.734 -37.602 -6.421 1.00 29.94 C ATOM 703 OG SER A 75 3.396 -36.654 -5.601 1.00 30.44 O ATOM 704 HG SER A 75 2.799 -36.388 -4.858 1.00 0.00 H ATOM 705 H SER A 75 2.729 -35.722 -8.170 1.00 0.00 H ATOM 706 N SER A 76 0.640 -35.251 -5.555 1.00 22.87 N ATOM 707 CA SER A 76 -0.198 -34.682 -4.498 1.00 19.90 C ATOM 708 C SER A 76 -1.095 -33.566 -5.013 1.00 18.53 C ATOM 709 O SER A 76 -1.782 -32.903 -4.228 1.00 18.34 O ATOM 710 CB SER A 76 0.665 -34.128 -3.378 1.00 20.08 C ATOM 711 OG SER A 76 1.420 -33.037 -3.882 1.00 20.17 O ATOM 712 HG SER A 76 1.987 -32.668 -3.159 1.00 0.00 H ATOM 713 H SER A 76 1.330 -34.645 -6.044 1.00 0.00 H ATOM 714 N ASN A 77 -1.069 -33.344 -6.324 1.00 17.46 N ATOM 715 CA ASN A 77 -1.852 -32.277 -6.953 1.00 17.00 C ATOM 716 C ASN A 77 -1.601 -30.930 -6.277 1.00 14.33 C ATOM 717 O ASN A 77 -2.512 -30.148 -6.068 1.00 14.67 O ATOM 718 CB ASN A 77 -3.356 -32.597 -6.928 1.00 20.25 C ATOM 719 CG ASN A 77 -3.839 -33.291 -8.191 1.00 23.54 C ATOM 720 OD1 ASN A 77 -3.447 -32.940 -9.296 1.00 18.17 O ATOM 721 ND2 ASN A 77 -4.695 -34.307 -8.021 1.00 26.18 N ATOM 722 HD22 ASN A 77 -5.003 -34.573 -7.064 1.00 0.00 H ATOM 723 HD21 ASN A 77 -5.052 -34.830 -8.846 1.00 0.00 H ATOM 724 H ASN A 77 -0.472 -33.949 -6.924 1.00 0.00 H ATOM 725 N THR A 78 -0.344 -30.682 -5.944 1.00 13.81 N ATOM 726 CA THR A 78 0.020 -29.477 -5.213 1.00 12.46 C ATOM 727 C THR A 78 1.089 -28.684 -5.940 1.00 14.03 C ATOM 728 O THR A 78 2.065 -29.256 -6.406 1.00 15.20 O ATOM 729 CB THR A 78 0.535 -29.829 -3.810 1.00 14.41 C ATOM 730 OG1 THR A 78 -0.508 -30.462 -3.082 1.00 15.58 O ATOM 731 CG2 THR A 78 0.951 -28.590 -3.040 1.00 15.10 C ATOM 732 HG1 THR A 78 -0.183 -30.692 -2.175 1.00 0.00 H ATOM 733 H THR A 78 0.398 -31.361 -6.210 1.00 0.00 H ATOM 734 N ALA A 79 0.897 -27.365 -6.018 1.00 11.86 N ATOM 735 CA ALA A 79 1.925 -26.464 -6.529 1.00 11.83 C ATOM 736 C ALA A 79 2.513 -25.641 -5.392 1.00 13.12 C ATOM 737 O ALA A 79 1.828 -25.308 -4.419 1.00 14.35 O ATOM 738 CB ALA A 79 1.357 -25.550 -7.613 1.00 12.91 C ATOM 739 H ALA A 79 -0.012 -26.968 -5.705 1.00 0.00 H ATOM 740 N TYR A 80 3.790 -25.312 -5.531 1.00 12.92 N ATOM 741 CA TYR A 80 4.506 -24.549 -4.527 1.00 13.55 C ATOM 742 C TYR A 80 5.156 -23.322 -5.116 1.00 13.91 C ATOM 743 O TYR A 80 5.583 -23.304 -6.278 1.00 14.63 O ATOM 744 CB TYR A 80 5.585 -25.399 -3.865 1.00 14.14 C ATOM 745 CG TYR A 80 5.071 -26.661 -3.215 1.00 15.12 C ATOM 746 CD1 TYR A 80 4.700 -26.670 -1.883 1.00 17.83 C ATOM 747 CD2 TYR A 80 4.979 -27.843 -3.937 1.00 16.10 C ATOM 748 CE1 TYR A 80 4.245 -27.817 -1.280 1.00 18.68 C ATOM 749 CE2 TYR A 80 4.521 -29.005 -3.343 1.00 17.46 C ATOM 750 CZ TYR A 80 4.157 -28.978 -2.012 1.00 18.79 C ATOM 751 OH TYR A 80 3.702 -30.117 -1.397 1.00 18.88 O ATOM 752 HH TYR A 80 4.403 -30.815 -1.438 1.00 0.00 H ATOM 753 H TYR A 80 4.295 -25.611 -6.389 1.00 0.00 H ATOM 754 N LEU A 81 5.225 -22.294 -4.288 1.00 12.61 N ATOM 755 CA LEU A 81 5.935 -21.077 -4.626 1.00 13.08 C ATOM 756 C LEU A 81 6.925 -20.769 -3.514 1.00 13.40 C ATOM 757 O LEU A 81 6.529 -20.449 -2.380 1.00 14.76 O ATOM 758 CB LEU A 81 4.958 -19.921 -4.827 1.00 13.95 C ATOM 759 CG LEU A 81 5.637 -18.571 -5.092 1.00 14.23 C ATOM 760 CD1 LEU A 81 6.245 -18.571 -6.489 1.00 17.17 C ATOM 761 CD2 LEU A 81 4.676 -17.405 -4.921 1.00 16.48 C ATOM 762 H LEU A 81 4.754 -22.361 -3.363 1.00 0.00 H ATOM 763 N GLN A 82 8.217 -20.892 -3.825 1.00 13.26 N ATOM 764 CA GLN A 82 9.249 -20.579 -2.845 1.00 15.97 C ATOM 765 C GLN A 82 9.750 -19.168 -3.064 1.00 19.95 C ATOM 766 O GLN A 82 10.149 -18.812 -4.168 1.00 19.87 O ATOM 767 CB GLN A 82 10.419 -21.562 -2.922 1.00 18.73 C ATOM 768 CG GLN A 82 11.604 -21.155 -2.033 1.00 26.43 C ATOM 769 CD GLN A 82 12.309 -22.342 -1.413 1.00 35.66 C ATOM 770 OE1 GLN A 82 12.171 -23.478 -1.875 1.00 39.49 O ATOM 771 NE2 GLN A 82 13.080 -22.085 -0.359 1.00 39.14 N ATOM 772 HE22 GLN A 82 13.167 -21.112 -0.003 1.00 0.00 H ATOM 773 HE21 GLN A 82 13.596 -22.858 0.109 1.00 0.00 H ATOM 774 H GLN A 82 8.490 -21.214 -4.775 1.00 0.00 H ATOM 775 N LEU A 83 9.715 -18.360 -2.012 1.00 14.12 N ATOM 776 CA LEU A 83 10.212 -17.000 -2.101 1.00 17.95 C ATOM 777 C LEU A 83 11.505 -16.942 -1.312 1.00 20.47 C ATOM 778 O LEU A 83 11.556 -17.395 -0.169 1.00 21.17 O ATOM 779 CB LEU A 83 9.184 -16.010 -1.559 1.00 18.32 C ATOM 780 CG LEU A 83 7.840 -16.012 -2.282 1.00 17.95 C ATOM 781 CD1 LEU A 83 6.836 -15.148 -1.519 1.00 20.98 C ATOM 782 CD2 LEU A 83 7.984 -15.536 -3.722 1.00 17.72 C ATOM 783 H LEU A 83 9.326 -18.706 -1.112 1.00 0.00 H ATOM 784 N SER A 84 12.553 -16.399 -1.917 1.00 19.90 N ATOM 785 CA SER A 84 13.858 -16.448 -1.274 1.00 22.37 C ATOM 786 C SER A 84 14.338 -15.065 -0.860 1.00 22.92 C ATOM 787 O SER A 84 13.945 -14.055 -1.455 1.00 22.42 O ATOM 788 CB SER A 84 14.880 -17.112 -2.203 1.00 29.18 C ATOM 789 OG SER A 84 15.069 -16.346 -3.380 1.00 33.82 O ATOM 790 HG SER A 84 14.208 -16.264 -3.861 1.00 0.00 H ATOM 791 H SER A 84 12.443 -15.941 -2.844 1.00 0.00 H ATOM 792 N SER A 85 15.186 -15.037 0.170 1.00 25.15 N ATOM 793 CA SER A 85 15.823 -13.808 0.628 1.00 27.85 C ATOM 794 C SER A 85 14.802 -12.689 0.773 1.00 26.00 C ATOM 795 O SER A 85 14.873 -11.676 0.074 1.00 25.86 O ATOM 796 CB SER A 85 16.927 -13.395 -0.340 1.00 31.07 C ATOM 797 OG SER A 85 17.683 -12.328 0.196 1.00 35.56 O ATOM 798 HG SER A 85 17.089 -11.552 0.357 1.00 0.00 H ATOM 799 H SER A 85 15.401 -15.926 0.665 1.00 0.00 H ATOM 800 N LEU A 86 13.842 -12.894 1.669 1.00 25.29 N ATOM 801 CA LEU A 86 12.681 -12.021 1.761 1.00 25.35 C ATOM 802 C LEU A 86 13.046 -10.603 2.161 1.00 23.69 C ATOM 803 O LEU A 86 13.955 -10.380 2.966 1.00 25.11 O ATOM 804 CB LEU A 86 11.672 -12.602 2.746 1.00 29.56 C ATOM 805 CG LEU A 86 10.903 -13.780 2.136 1.00 30.32 C ATOM 806 CD1 LEU A 86 10.592 -14.824 3.188 1.00 31.61 C ATOM 807 CD2 LEU A 86 9.640 -13.262 1.481 1.00 29.15 C ATOM 808 H LEU A 86 13.923 -13.700 2.322 1.00 0.00 H ATOM 809 N ALA A 87 12.337 -9.650 1.571 1.00 22.33 N ATOM 810 CA ALA A 87 12.531 -8.245 1.886 1.00 23.81 C ATOM 811 C ALA A 87 11.167 -7.578 1.982 1.00 23.62 C ATOM 812 O ALA A 87 10.150 -8.187 1.636 1.00 20.93 O ATOM 813 CB ALA A 87 13.397 -7.571 0.831 1.00 25.69 C ATOM 814 H ALA A 87 11.623 -9.916 0.863 1.00 0.00 H ATOM 815 N SER A 88 11.141 -6.335 2.451 1.00 25.47 N ATOM 816 CA SER A 88 9.887 -5.625 2.663 1.00 24.04 C ATOM 817 C SER A 88 8.947 -5.664 1.459 1.00 21.17 C ATOM 818 O SER A 88 7.739 -5.808 1.620 1.00 20.32 O ATOM 819 CB SER A 88 10.172 -4.169 3.022 1.00 27.87 C ATOM 820 OG SER A 88 11.016 -3.595 2.040 1.00 31.23 O ATOM 821 HG SER A 88 10.569 -3.636 1.158 1.00 0.00 H ATOM 822 H SER A 88 12.038 -5.857 2.672 1.00 0.00 H ATOM 823 N GLU A 89 9.496 -5.517 0.257 1.00 21.82 N ATOM 824 CA GLU A 89 8.649 -5.454 -0.937 1.00 21.89 C ATOM 825 C GLU A 89 8.027 -6.806 -1.298 1.00 19.16 C ATOM 826 O GLU A 89 7.175 -6.869 -2.183 1.00 19.86 O ATOM 827 CB GLU A 89 9.432 -4.901 -2.131 1.00 26.24 C ATOM 828 CG GLU A 89 10.548 -5.796 -2.664 1.00 26.06 C ATOM 829 CD GLU A 89 11.913 -5.490 -2.073 1.00 28.29 C ATOM 830 OE1 GLU A 89 12.011 -4.653 -1.146 1.00 30.73 O ATOM 831 OE2 GLU A 89 12.897 -6.093 -2.553 1.00 28.38 O ATOM 832 H GLU A 89 10.529 -5.447 0.164 1.00 0.00 H ATOM 833 N ASP A 90 8.424 -7.866 -0.596 1.00 18.39 N ATOM 834 CA ASP A 90 7.840 -9.192 -0.820 1.00 16.90 C ATOM 835 C ASP A 90 6.577 -9.403 0.008 1.00 16.34 C ATOM 836 O ASP A 90 5.826 -10.348 -0.235 1.00 15.72 O ATOM 837 CB ASP A 90 8.862 -10.296 -0.504 1.00 19.76 C ATOM 838 CG ASP A 90 10.052 -10.271 -1.441 1.00 22.35 C ATOM 839 OD1 ASP A 90 9.846 -10.158 -2.671 1.00 22.23 O ATOM 840 OD2 ASP A 90 11.207 -10.325 -0.951 1.00 24.99 O ATOM 841 H ASP A 90 9.164 -7.751 0.126 1.00 0.00 H ATOM 842 N ALA A 91 6.307 -8.519 0.962 1.00 16.45 N ATOM 843 CA ALA A 91 5.059 -8.616 1.705 1.00 16.50 C ATOM 844 C ALA A 91 3.905 -8.349 0.745 1.00 15.64 C ATOM 845 O ALA A 91 3.894 -7.329 0.058 1.00 17.84 O ATOM 846 CB ALA A 91 5.042 -7.635 2.874 1.00 18.29 C ATOM 847 H ALA A 91 6.985 -7.760 1.177 1.00 0.00 H ATOM 848 N ALA A 92 2.963 -9.290 0.678 1.00 14.41 N ATOM 849 CA ALA A 92 1.912 -9.249 -0.331 1.00 13.85 C ATOM 850 C ALA A 92 0.937 -10.387 -0.102 1.00 13.04 C ATOM 851 O ALA A 92 1.177 -11.259 0.731 1.00 13.52 O ATOM 852 CB ALA A 92 2.506 -9.350 -1.734 1.00 14.28 C ATOM 853 H ALA A 92 2.978 -10.073 1.363 1.00 0.00 H ATOM 854 N VAL A 93 -0.176 -10.371 -0.823 1.00 13.71 N ATOM 855 CA VAL A 93 -1.004 -11.566 -0.929 1.00 13.74 C ATOM 856 C VAL A 93 -0.602 -12.296 -2.201 1.00 12.16 C ATOM 857 O VAL A 93 -0.437 -11.681 -3.262 1.00 14.53 O ATOM 858 CB VAL A 93 -2.511 -11.228 -0.941 1.00 13.93 C ATOM 859 CG1 VAL A 93 -3.361 -12.472 -1.205 1.00 12.55 C ATOM 860 CG2 VAL A 93 -2.901 -10.563 0.386 1.00 14.62 C ATOM 861 H VAL A 93 -0.460 -9.500 -1.316 1.00 0.00 H ATOM 862 N TYR A 94 -0.403 -13.603 -2.087 1.00 12.54 N ATOM 863 CA TYR A 94 -0.022 -14.414 -3.232 1.00 11.20 C ATOM 864 C TYR A 94 -1.158 -15.357 -3.593 1.00 11.24 C ATOM 865 O TYR A 94 -1.727 -15.993 -2.709 1.00 12.15 O ATOM 866 CB TYR A 94 1.257 -15.196 -2.929 1.00 11.13 C ATOM 867 CG TYR A 94 2.453 -14.296 -2.799 1.00 12.58 C ATOM 868 CD1 TYR A 94 2.747 -13.675 -1.588 1.00 14.24 C ATOM 869 CD2 TYR A 94 3.290 -14.063 -3.880 1.00 12.06 C ATOM 870 CE1 TYR A 94 3.851 -12.839 -1.463 1.00 14.22 C ATOM 871 CE2 TYR A 94 4.384 -13.227 -3.766 1.00 12.60 C ATOM 872 CZ TYR A 94 4.655 -12.623 -2.561 1.00 14.24 C ATOM 873 OH TYR A 94 5.759 -11.796 -2.458 1.00 15.29 O ATOM 874 HH TYR A 94 5.818 -11.440 -1.536 1.00 0.00 H ATOM 875 H TYR A 94 -0.522 -14.057 -1.159 1.00 0.00 H ATOM 876 N TYR A 95 -1.493 -15.402 -4.879 1.00 10.48 N ATOM 877 CA TYR A 95 -2.583 -16.248 -5.389 1.00 9.87 C ATOM 878 C TYR A 95 -2.068 -17.280 -6.358 1.00 10.48 C ATOM 879 O TYR A 95 -1.150 -17.006 -7.118 1.00 10.89 O ATOM 880 CB TYR A 95 -3.628 -15.416 -6.130 1.00 11.38 C ATOM 881 CG TYR A 95 -4.378 -14.409 -5.305 1.00 12.01 C ATOM 882 CD1 TYR A 95 -5.417 -14.808 -4.486 1.00 11.24 C ATOM 883 CD2 TYR A 95 -4.076 -13.054 -5.381 1.00 11.71 C ATOM 884 CE1 TYR A 95 -6.123 -13.896 -3.735 1.00 13.01 C ATOM 885 CE2 TYR A 95 -4.791 -12.129 -4.650 1.00 11.96 C ATOM 886 CZ TYR A 95 -5.804 -12.551 -3.824 1.00 14.33 C ATOM 887 OH TYR A 95 -6.509 -11.631 -3.070 1.00 15.95 O ATOM 888 HH TYR A 95 -7.197 -12.102 -2.536 1.00 0.00 H ATOM 889 H TYR A 95 -0.962 -14.814 -5.553 1.00 0.00 H ATOM 890 N CYS A 96 -2.695 -18.451 -6.363 1.00 9.18 N ATOM 891 CA CYS A 96 -2.490 -19.382 -7.453 1.00 9.25 C ATOM 892 C CYS A 96 -3.773 -19.461 -8.282 1.00 9.32 C ATOM 893 O CYS A 96 -4.855 -19.120 -7.799 1.00 10.41 O ATOM 894 CB CYS A 96 -2.088 -20.747 -6.923 1.00 10.66 C ATOM 895 SG CYS A 96 -3.310 -21.496 -5.839 1.00 12.66 S ATOM 896 H CYS A 96 -3.335 -18.700 -5.582 1.00 0.00 H ATOM 897 N ALA A 97 -3.648 -19.857 -9.540 1.00 9.76 N ATOM 898 CA ALA A 97 -4.817 -19.946 -10.429 1.00 10.58 C ATOM 899 C ALA A 97 -4.591 -20.970 -11.504 1.00 10.62 C ATOM 900 O ALA A 97 -3.445 -21.231 -11.872 1.00 10.07 O ATOM 901 CB ALA A 97 -5.125 -18.599 -11.070 1.00 9.07 C ATOM 902 H ALA A 97 -2.708 -20.109 -9.905 1.00 0.00 H ATOM 903 N THR A 98 -5.682 -21.549 -12.007 1.00 8.13 N ATOM 904 CA THR A 98 -5.584 -22.515 -13.100 1.00 8.59 C ATOM 905 C THR A 98 -6.914 -22.547 -13.862 1.00 10.54 C ATOM 906 O THR A 98 -7.813 -21.743 -13.568 1.00 12.05 O ATOM 907 CB THR A 98 -5.198 -23.918 -12.570 1.00 10.26 C ATOM 908 OG1 THR A 98 -4.793 -24.750 -13.668 1.00 10.35 O ATOM 909 CG2 THR A 98 -6.361 -24.594 -11.825 1.00 8.90 C ATOM 910 HG1 THR A 98 -4.013 -24.341 -14.120 1.00 0.00 H ATOM 911 H THR A 98 -6.616 -21.310 -11.616 1.00 0.00 H ATOM 912 N TYR A 99 -7.037 -23.470 -14.822 1.00 8.70 N ATOM 913 CA TYR A 99 -8.172 -23.527 -15.763 1.00 10.60 C ATOM 914 C TYR A 99 -8.131 -22.265 -16.614 1.00 11.57 C ATOM 915 O TYR A 99 -8.986 -21.371 -16.507 1.00 10.67 O ATOM 916 CB TYR A 99 -9.535 -23.686 -15.047 1.00 11.06 C ATOM 917 CG TYR A 99 -10.623 -24.264 -15.947 1.00 11.02 C ATOM 918 CD1 TYR A 99 -10.726 -25.623 -16.135 1.00 10.59 C ATOM 919 CD2 TYR A 99 -11.512 -23.430 -16.641 1.00 10.34 C ATOM 920 CE1 TYR A 99 -11.705 -26.177 -16.971 1.00 12.01 C ATOM 921 CE2 TYR A 99 -12.490 -23.967 -17.469 1.00 12.11 C ATOM 922 CZ TYR A 99 -12.573 -25.335 -17.635 1.00 12.62 C ATOM 923 OH TYR A 99 -13.533 -25.877 -18.445 1.00 16.04 O ATOM 924 HH TYR A 99 -14.429 -25.625 -18.107 1.00 0.00 H ATOM 925 H TYR A 99 -6.290 -24.188 -14.910 1.00 0.00 H ATOM 926 N GLY A 100 -7.118 -22.194 -17.470 1.00 8.66 N ATOM 927 CA GLY A 100 -6.678 -20.901 -17.961 1.00 11.24 C ATOM 928 C GLY A 100 -6.319 -20.112 -16.713 1.00 12.91 C ATOM 929 O GLY A 100 -5.478 -20.551 -15.903 1.00 11.76 O ATOM 930 H GLY A 100 -6.642 -23.062 -17.787 1.00 0.00 H ATOM 931 N VAL A 101 -6.963 -18.960 -16.534 1.00 8.82 N ATOM 932 CA VAL A 101 -6.822 -18.223 -15.275 1.00 9.42 C ATOM 933 C VAL A 101 -8.196 -17.979 -14.627 1.00 10.10 C ATOM 934 O VAL A 101 -8.407 -16.990 -13.911 1.00 11.01 O ATOM 935 CB VAL A 101 -6.055 -16.880 -15.475 1.00 7.42 C ATOM 936 CG1 VAL A 101 -4.549 -17.136 -15.671 1.00 11.01 C ATOM 937 CG2 VAL A 101 -6.669 -16.049 -16.629 1.00 12.60 C ATOM 938 H VAL A 101 -7.568 -18.582 -17.291 1.00 0.00 H ATOM 939 N ALA A 102 -9.110 -18.933 -14.816 1.00 7.83 N ATOM 940 CA ALA A 102 -10.495 -18.785 -14.345 1.00 10.09 C ATOM 941 C ALA A 102 -10.692 -19.079 -12.870 1.00 11.78 C ATOM 942 O ALA A 102 -11.579 -18.481 -12.241 1.00 14.09 O ATOM 943 CB ALA A 102 -11.435 -19.695 -15.150 1.00 10.25 C ATOM 944 H ALA A 102 -8.835 -19.806 -15.310 1.00 0.00 H ATOM 945 N TYR A 103 -9.917 -20.019 -12.326 1.00 10.49 N ATOM 946 CA TYR A 103 -10.127 -20.486 -10.955 1.00 9.98 C ATOM 947 C TYR A 103 -8.938 -20.093 -10.093 1.00 11.46 C ATOM 948 O TYR A 103 -7.789 -20.481 -10.394 1.00 12.66 O ATOM 949 CB TYR A 103 -10.314 -22.007 -10.891 1.00 13.32 C ATOM 950 CG TYR A 103 -11.401 -22.590 -11.770 1.00 16.04 C ATOM 951 CD1 TYR A 103 -12.428 -21.809 -12.265 1.00 16.98 C ATOM 952 CD2 TYR A 103 -11.385 -23.935 -12.096 1.00 18.34 C ATOM 953 CE1 TYR A 103 -13.419 -22.365 -13.088 1.00 19.32 C ATOM 954 CE2 TYR A 103 -12.364 -24.495 -12.892 1.00 18.96 C ATOM 955 CZ TYR A 103 -13.371 -23.700 -13.383 1.00 18.77 C ATOM 956 OH TYR A 103 -14.334 -24.274 -14.184 1.00 22.90 O ATOM 957 HH TYR A 103 -14.987 -23.583 -14.459 1.00 0.00 H ATOM 958 H TYR A 103 -9.145 -20.430 -12.890 1.00 0.00 H ATOM 959 N TRP A 104 -9.207 -19.344 -9.028 1.00 10.82 N ATOM 960 CA TRP A 104 -8.159 -18.838 -8.147 1.00 10.21 C ATOM 961 C TRP A 104 -8.267 -19.406 -6.742 1.00 10.91 C ATOM 962 O TRP A 104 -9.371 -19.677 -6.252 1.00 13.69 O ATOM 963 CB TRP A 104 -8.214 -17.305 -8.050 1.00 9.53 C ATOM 964 CG TRP A 104 -7.868 -16.547 -9.294 1.00 8.70 C ATOM 965 CD1 TRP A 104 -8.285 -16.804 -10.571 1.00 11.37 C ATOM 966 CD2 TRP A 104 -7.022 -15.401 -9.371 1.00 8.86 C ATOM 967 NE1 TRP A 104 -7.766 -15.865 -11.430 1.00 11.07 N ATOM 968 CE2 TRP A 104 -6.985 -14.993 -10.718 1.00 9.66 C ATOM 969 CE3 TRP A 104 -6.303 -14.666 -8.421 1.00 8.71 C ATOM 970 CZ2 TRP A 104 -6.243 -13.892 -11.148 1.00 11.38 C ATOM 971 CZ3 TRP A 104 -5.552 -13.569 -8.850 1.00 10.67 C ATOM 972 CH2 TRP A 104 -5.531 -13.191 -10.209 1.00 11.82 C ATOM 973 HE1 TRP A 104 -7.938 -15.823 -12.455 1.00 0.00 H ATOM 974 H TRP A 104 -10.198 -19.111 -8.815 1.00 0.00 H ATOM 975 N GLY A 105 -7.114 -19.552 -6.084 1.00 10.48 N ATOM 976 CA GLY A 105 -7.071 -19.882 -4.669 1.00 11.48 C ATOM 977 C GLY A 105 -7.482 -18.671 -3.841 1.00 11.14 C ATOM 978 O GLY A 105 -7.651 -17.575 -4.377 1.00 13.21 O ATOM 979 H GLY A 105 -6.220 -19.426 -6.600 1.00 0.00 H ATOM 980 N GLN A 106 -7.626 -18.863 -2.540 1.00 11.72 N ATOM 981 CA GLN A 106 -8.157 -17.819 -1.667 1.00 13.51 C ATOM 982 C GLN A 106 -7.076 -16.803 -1.273 1.00 14.45 C ATOM 983 O GLN A 106 -7.365 -15.773 -0.647 1.00 15.26 O ATOM 984 CB GLN A 106 -8.794 -18.443 -0.418 1.00 15.32 C ATOM 985 CG GLN A 106 -7.830 -18.745 0.732 1.00 17.42 C ATOM 986 CD GLN A 106 -7.082 -20.066 0.589 1.00 19.61 C ATOM 987 OE1 GLN A 106 -7.046 -20.683 -0.482 1.00 16.55 O ATOM 988 NE2 GLN A 106 -6.496 -20.517 1.691 1.00 20.98 N ATOM 989 HE22 GLN A 106 -6.550 -19.966 2.572 1.00 0.00 H ATOM 990 HE21 GLN A 106 -5.982 -21.421 1.674 1.00 0.00 H ATOM 991 H GLN A 106 -7.355 -19.779 -2.129 1.00 0.00 H ATOM 992 N GLY A 107 -5.836 -17.086 -1.664 1.00 14.96 N ATOM 993 CA GLY A 107 -4.709 -16.212 -1.342 1.00 14.16 C ATOM 994 C GLY A 107 -3.996 -16.576 -0.046 1.00 14.43 C ATOM 995 O GLY A 107 -4.606 -17.070 0.899 1.00 16.39 O ATOM 996 H GLY A 107 -5.664 -17.952 -2.213 1.00 0.00 H ATOM 997 N THR A 108 -2.687 -16.331 -0.022 1.00 13.09 N ATOM 998 CA THR A 108 -1.858 -16.472 1.172 1.00 14.14 C ATOM 999 C THR A 108 -1.221 -15.126 1.458 1.00 13.69 C ATOM 1000 O THR A 108 -0.581 -14.539 0.578 1.00 12.86 O ATOM 1001 CB THR A 108 -0.750 -17.535 0.991 1.00 12.74 C ATOM 1002 OG1 THR A 108 -1.354 -18.810 0.723 1.00 15.14 O ATOM 1003 CG2 THR A 108 0.122 -17.642 2.233 1.00 14.26 C ATOM 1004 HG1 THR A 108 -1.937 -19.064 1.482 1.00 0.00 H ATOM 1005 H THR A 108 -2.229 -16.022 -0.903 1.00 0.00 H ATOM 1006 N LEU A 109 -1.443 -14.620 2.667 1.00 13.83 N ATOM 1007 CA LEU A 109 -0.827 -13.372 3.108 1.00 15.48 C ATOM 1008 C LEU A 109 0.577 -13.623 3.615 1.00 17.37 C ATOM 1009 O LEU A 109 0.760 -14.410 4.543 1.00 19.43 O ATOM 1010 CB LEU A 109 -1.654 -12.720 4.215 1.00 16.92 C ATOM 1011 CG LEU A 109 -1.085 -11.422 4.783 1.00 19.76 C ATOM 1012 CD1 LEU A 109 -1.083 -10.339 3.716 1.00 19.38 C ATOM 1013 CD2 LEU A 109 -1.901 -10.987 5.991 1.00 21.05 C ATOM 1014 H LEU A 109 -2.075 -15.128 3.318 1.00 0.00 H ATOM 1015 N VAL A 110 1.558 -12.963 3.005 1.00 15.11 N ATOM 1016 CA VAL A 110 2.926 -12.955 3.537 1.00 17.22 C ATOM 1017 C VAL A 110 3.210 -11.576 4.132 1.00 18.61 C ATOM 1018 O VAL A 110 3.133 -10.563 3.436 1.00 17.76 O ATOM 1019 CB VAL A 110 3.974 -13.287 2.445 1.00 16.53 C ATOM 1020 CG1 VAL A 110 5.399 -13.192 2.982 1.00 18.73 C ATOM 1021 CG2 VAL A 110 3.716 -14.687 1.842 1.00 15.30 C ATOM 1022 H VAL A 110 1.351 -12.440 2.130 1.00 0.00 H ATOM 1023 N THR A 111 3.497 -11.540 5.427 1.00 17.96 N ATOM 1024 CA THR A 111 3.895 -10.304 6.092 1.00 20.76 C ATOM 1025 C THR A 111 5.365 -10.425 6.478 1.00 21.68 C ATOM 1026 O THR A 111 5.833 -11.515 6.795 1.00 24.41 O ATOM 1027 CB THR A 111 3.021 -10.029 7.321 1.00 22.18 C ATOM 1028 OG1 THR A 111 3.039 -11.173 8.186 1.00 25.16 O ATOM 1029 CG2 THR A 111 1.582 -9.755 6.900 1.00 18.48 C ATOM 1030 HG1 THR A 111 2.686 -11.959 7.699 1.00 0.00 H ATOM 1031 H THR A 111 3.437 -12.417 5.983 1.00 0.00 H ATOM 1032 N VAL A 112 6.104 -9.316 6.421 1.00 22.79 N ATOM 1033 CA VAL A 112 7.533 -9.345 6.693 1.00 21.18 C ATOM 1034 C VAL A 112 7.814 -8.493 7.927 1.00 22.11 C ATOM 1035 O VAL A 112 7.418 -7.329 7.997 1.00 23.31 O ATOM 1036 CB VAL A 112 8.369 -8.831 5.492 1.00 25.52 C ATOM 1037 CG1 VAL A 112 9.847 -8.792 5.843 1.00 26.45 C ATOM 1038 CG2 VAL A 112 8.124 -9.688 4.231 1.00 24.20 C ATOM 1039 H VAL A 112 5.650 -8.413 6.177 1.00 0.00 H ATOM 1040 N SER A 113 8.459 -9.087 8.919 1.00 23.05 N ATOM 1041 CA SER A 113 8.703 -8.381 10.165 1.00 24.67 C ATOM 1042 C SER A 113 9.908 -7.453 10.066 1.00 27.63 C ATOM 1043 O SER A 113 10.786 -7.633 9.223 1.00 25.27 O ATOM 1044 CB SER A 113 8.898 -9.376 11.313 1.00 28.45 C ATOM 1045 OG SER A 113 9.803 -10.391 10.942 1.00 27.86 O ATOM 1046 HG SER A 113 10.678 -9.985 10.716 1.00 0.00 H ATOM 1047 H SER A 113 8.793 -10.065 8.806 1.00 0.00 H ATOM 1048 N ALA A 114 9.930 -6.467 10.950 1.00 27.07 N ATOM 1049 CA ALA A 114 10.984 -5.463 10.983 1.00 28.27 C ATOM 1050 C ALA A 114 12.197 -5.936 11.783 1.00 29.57 C ATOM 1051 O ALA A 114 12.165 -6.975 12.444 1.00 29.65 O ATOM 1052 CB ALA A 114 10.443 -4.174 11.565 1.00 29.32 C ATOM 1053 OXT ALA A 114 13.235 -5.275 11.766 1.00 30.63 O ATOM 1054 H ALA A 114 9.163 -6.407 11.650 1.00 0.00 H TER 1055 ALA A 114 ATOM 1056 N ASP B 1 6.920 -5.347 -22.493 1.00 20.72 N ATOM 1057 CA ASP B 1 5.762 -5.749 -21.714 1.00 20.33 C ATOM 1058 C ASP B 1 4.565 -4.901 -22.125 1.00 20.08 C ATOM 1059 O ASP B 1 4.725 -3.846 -22.729 1.00 21.79 O ATOM 1060 CB ASP B 1 6.044 -5.624 -20.212 1.00 21.80 C ATOM 1061 CG ASP B 1 7.233 -6.482 -19.770 1.00 23.35 C ATOM 1062 OD1 ASP B 1 7.937 -7.010 -20.652 1.00 29.19 O ATOM 1063 OD2 ASP B 1 7.489 -6.590 -18.553 1.00 21.90 O ATOM 1064 HN3 ASP B 1 7.124 -4.343 -22.315 1.00 0.00 H ATOM 1065 HN2 ASP B 1 6.722 -5.488 -23.504 1.00 0.00 H ATOM 1066 HN1 ASP B 1 7.740 -5.924 -22.216 1.00 0.00 H ATOM 1067 N ILE B 2 3.362 -5.373 -21.839 1.00 15.94 N ATOM 1068 CA ILE B 2 2.183 -4.607 -22.201 1.00 13.65 C ATOM 1069 C ILE B 2 1.671 -3.851 -20.972 1.00 15.38 C ATOM 1070 O ILE B 2 1.490 -4.418 -19.896 1.00 18.42 O ATOM 1071 CB ILE B 2 1.084 -5.505 -22.792 1.00 15.08 C ATOM 1072 CG1 ILE B 2 1.615 -6.231 -24.037 1.00 17.39 C ATOM 1073 CG2 ILE B 2 -0.158 -4.668 -23.132 1.00 16.19 C ATOM 1074 CD1 ILE B 2 0.566 -7.031 -24.785 1.00 19.85 C ATOM 1075 H ILE B 2 3.262 -6.289 -21.357 1.00 0.00 H ATOM 1076 N VAL B 3 1.487 -2.548 -21.121 1.00 13.48 N ATOM 1077 CA VAL B 3 0.962 -1.736 -20.023 1.00 13.43 C ATOM 1078 C VAL B 3 -0.520 -1.522 -20.209 1.00 12.51 C ATOM 1079 O VAL B 3 -0.935 -1.098 -21.277 1.00 14.01 O ATOM 1080 CB VAL B 3 1.631 -0.366 -19.963 1.00 13.48 C ATOM 1081 CG1 VAL B 3 1.020 0.488 -18.853 1.00 13.78 C ATOM 1082 CG2 VAL B 3 3.133 -0.514 -19.767 1.00 15.21 C ATOM 1083 H VAL B 3 1.718 -2.097 -22.029 1.00 0.00 H ATOM 1084 N LEU B 4 -1.296 -1.805 -19.168 1.00 11.29 N ATOM 1085 CA LEU B 4 -2.748 -1.626 -19.221 1.00 11.26 C ATOM 1086 C LEU B 4 -3.157 -0.431 -18.376 1.00 11.40 C ATOM 1087 O LEU B 4 -2.820 -0.349 -17.193 1.00 14.49 O ATOM 1088 CB LEU B 4 -3.472 -2.878 -18.727 1.00 10.53 C ATOM 1089 CG LEU B 4 -3.169 -4.182 -19.460 1.00 13.56 C ATOM 1090 CD1 LEU B 4 -4.058 -5.299 -18.937 1.00 13.25 C ATOM 1091 CD2 LEU B 4 -3.301 -4.018 -20.959 1.00 13.85 C ATOM 1092 H LEU B 4 -0.861 -2.163 -18.294 1.00 0.00 H ATOM 1093 N THR B 5 -3.897 0.488 -18.980 1.00 10.30 N ATOM 1094 CA THR B 5 -4.301 1.714 -18.305 1.00 11.15 C ATOM 1095 C THR B 5 -5.817 1.755 -18.262 1.00 11.43 C ATOM 1096 O THR B 5 -6.474 1.735 -19.303 1.00 11.31 O ATOM 1097 CB THR B 5 -3.760 2.966 -19.034 1.00 12.69 C ATOM 1098 OG1 THR B 5 -2.329 2.943 -19.027 1.00 13.48 O ATOM 1099 CG2 THR B 5 -4.238 4.240 -18.361 1.00 16.03 C ATOM 1100 HG1 THR B 5 -2.005 2.940 -18.092 1.00 0.00 H ATOM 1101 H THR B 5 -4.197 0.329 -19.963 1.00 0.00 H ATOM 1102 N GLN B 6 -6.368 1.773 -17.055 1.00 10.59 N ATOM 1103 CA GLN B 6 -7.821 1.830 -16.886 1.00 10.03 C ATOM 1104 C GLN B 6 -8.330 3.255 -16.688 1.00 10.60 C ATOM 1105 O GLN B 6 -7.628 4.133 -16.160 1.00 13.76 O ATOM 1106 CB GLN B 6 -8.257 0.967 -15.714 1.00 11.76 C ATOM 1107 CG GLN B 6 -7.959 -0.493 -15.959 1.00 10.77 C ATOM 1108 CD GLN B 6 -8.411 -1.417 -14.860 1.00 11.00 C ATOM 1109 OE1 GLN B 6 -7.706 -2.373 -14.543 1.00 9.42 O ATOM 1110 NE2 GLN B 6 -9.593 -1.165 -14.282 1.00 12.79 N ATOM 1111 HE22 GLN B 6 -10.155 -0.343 -14.584 1.00 0.00 H ATOM 1112 HE21 GLN B 6 -9.949 -1.791 -13.532 1.00 0.00 H ATOM 1113 H GLN B 6 -5.757 1.746 -16.214 1.00 0.00 H ATOM 1114 N SER B 7 -9.562 3.481 -17.112 1.00 11.40 N ATOM 1115 CA SER B 7 -10.190 4.787 -16.957 1.00 12.47 C ATOM 1116 C SER B 7 -11.691 4.601 -16.752 1.00 12.67 C ATOM 1117 O SER B 7 -12.336 3.907 -17.533 1.00 13.47 O ATOM 1118 CB SER B 7 -9.930 5.659 -18.181 1.00 14.68 C ATOM 1119 OG SER B 7 -10.665 6.859 -18.091 1.00 18.10 O ATOM 1120 HG SER B 7 -10.487 7.414 -18.891 1.00 0.00 H ATOM 1121 H SER B 7 -10.094 2.711 -17.565 1.00 0.00 H ATOM 1122 N PRO B 8 -12.258 5.214 -15.705 1.00 11.63 N ATOM 1123 CA PRO B 8 -11.607 6.084 -14.725 1.00 12.98 C ATOM 1124 C PRO B 8 -10.960 5.257 -13.627 1.00 14.17 C ATOM 1125 O PRO B 8 -11.135 4.043 -13.662 1.00 15.09 O ATOM 1126 CB PRO B 8 -12.775 6.894 -14.170 1.00 12.87 C ATOM 1127 CG PRO B 8 -13.878 5.890 -14.130 1.00 13.91 C ATOM 1128 CD PRO B 8 -13.702 5.074 -15.420 1.00 12.53 C ATOM 1129 N ALA B 9 -10.263 5.884 -12.680 1.00 14.16 N ATOM 1130 CA ALA B 9 -9.678 5.145 -11.565 1.00 16.29 C ATOM 1131 C ALA B 9 -10.753 4.772 -10.550 1.00 15.07 C ATOM 1132 O ALA B 9 -10.665 3.751 -9.864 1.00 16.85 O ATOM 1133 CB ALA B 9 -8.565 5.971 -10.896 1.00 17.78 C ATOM 1134 H ALA B 9 -10.134 6.914 -12.736 1.00 0.00 H ATOM 1135 N SER B 10 -11.775 5.613 -10.465 1.00 15.07 N ATOM 1136 CA SER B 10 -12.898 5.362 -9.578 1.00 16.78 C ATOM 1137 C SER B 10 -14.135 6.011 -10.159 1.00 15.98 C ATOM 1138 O SER B 10 -14.049 7.004 -10.879 1.00 17.06 O ATOM 1139 CB SER B 10 -12.626 5.892 -8.169 1.00 20.55 C ATOM 1140 OG SER B 10 -12.504 7.294 -8.192 1.00 25.43 O ATOM 1141 HG SER B 10 -13.345 7.692 -8.532 1.00 0.00 H ATOM 1142 H SER B 10 -11.772 6.474 -11.048 1.00 0.00 H ATOM 1143 N LEU B 11 -15.286 5.414 -9.890 1.00 16.62 N ATOM 1144 CA LEU B 11 -16.535 6.056 -10.254 1.00 18.71 C ATOM 1145 C LEU B 11 -17.665 5.600 -9.365 1.00 17.79 C ATOM 1146 O LEU B 11 -17.676 4.470 -8.868 1.00 16.90 O ATOM 1147 CB LEU B 11 -16.901 5.808 -11.712 1.00 22.26 C ATOM 1148 CG LEU B 11 -17.503 4.455 -12.053 1.00 22.30 C ATOM 1149 CD1 LEU B 11 -18.089 4.501 -13.450 1.00 23.80 C ATOM 1150 CD2 LEU B 11 -16.433 3.411 -11.952 1.00 21.98 C ATOM 1151 H LEU B 11 -15.295 4.487 -9.419 1.00 0.00 H ATOM 1152 N ALA B 12 -18.583 6.528 -9.142 1.00 17.55 N ATOM 1153 CA ALA B 12 -19.816 6.274 -8.424 1.00 20.05 C ATOM 1154 C ALA B 12 -20.946 6.342 -9.422 1.00 20.92 C ATOM 1155 O ALA B 12 -21.063 7.307 -10.179 1.00 22.15 O ATOM 1156 CB ALA B 12 -20.021 7.278 -7.321 1.00 21.57 C ATOM 1157 H ALA B 12 -18.410 7.489 -9.501 1.00 0.00 H ATOM 1158 N VAL B 13 -21.772 5.309 -9.436 1.00 19.05 N ATOM 1159 CA VAL B 13 -22.895 5.280 -10.348 1.00 18.95 C ATOM 1160 C VAL B 13 -24.176 5.108 -9.567 1.00 19.56 C ATOM 1161 O VAL B 13 -24.191 4.514 -8.489 1.00 19.78 O ATOM 1162 CB VAL B 13 -22.765 4.152 -11.380 1.00 18.16 C ATOM 1163 CG1 VAL B 13 -21.595 4.425 -12.316 1.00 18.87 C ATOM 1164 CG2 VAL B 13 -22.604 2.816 -10.684 1.00 18.10 C ATOM 1165 H VAL B 13 -21.613 4.512 -8.787 1.00 0.00 H ATOM 1166 N SER B 14 -25.250 5.659 -10.107 1.00 19.90 N ATOM 1167 CA SER B 14 -26.558 5.496 -9.508 1.00 20.56 C ATOM 1168 C SER B 14 -27.064 4.075 -9.743 1.00 20.57 C ATOM 1169 O SER B 14 -26.925 3.525 -10.835 1.00 18.87 O ATOM 1170 CB SER B 14 -27.529 6.517 -10.077 1.00 23.74 C ATOM 1171 OG SER B 14 -27.131 7.829 -9.701 1.00 27.53 O ATOM 1172 HG SER B 14 -27.124 7.900 -8.714 1.00 0.00 H ATOM 1173 H SER B 14 -25.153 6.220 -10.978 1.00 0.00 H ATOM 1174 N LEU B 15 -27.642 3.492 -8.700 1.00 20.33 N ATOM 1175 CA LEU B 15 -28.271 2.183 -8.800 1.00 19.28 C ATOM 1176 C LEU B 15 -29.194 2.109 -10.019 1.00 19.35 C ATOM 1177 O LEU B 15 -30.010 3.008 -10.247 1.00 20.18 O ATOM 1178 CB LEU B 15 -29.056 1.890 -7.516 1.00 22.21 C ATOM 1179 CG LEU B 15 -29.571 0.468 -7.362 1.00 22.92 C ATOM 1180 CD1 LEU B 15 -28.427 -0.517 -7.097 1.00 22.36 C ATOM 1181 CD2 LEU B 15 -30.606 0.439 -6.234 1.00 25.80 C ATOM 1182 H LEU B 15 -27.646 3.985 -7.784 1.00 0.00 H ATOM 1183 N GLY B 16 -29.033 1.058 -10.822 1.00 18.54 N ATOM 1184 CA GLY B 16 -29.911 0.820 -11.958 1.00 20.73 C ATOM 1185 C GLY B 16 -29.485 1.437 -13.282 1.00 19.84 C ATOM 1186 O GLY B 16 -30.112 1.210 -14.318 1.00 23.23 O ATOM 1187 H GLY B 16 -28.259 0.390 -10.632 1.00 0.00 H ATOM 1188 N GLN B 17 -28.411 2.210 -13.271 1.00 18.44 N ATOM 1189 CA GLN B 17 -27.959 2.807 -14.520 1.00 16.95 C ATOM 1190 C GLN B 17 -26.867 1.962 -15.143 1.00 15.80 C ATOM 1191 O GLN B 17 -26.492 0.928 -14.605 1.00 16.76 O ATOM 1192 CB GLN B 17 -27.486 4.238 -14.284 1.00 18.86 C ATOM 1193 CG GLN B 17 -28.542 5.098 -13.529 1.00 29.39 C ATOM 1194 CD GLN B 17 -29.990 4.938 -14.047 1.00 33.46 C ATOM 1195 OE1 GLN B 17 -30.293 5.218 -15.206 1.00 33.97 O ATOM 1196 NE2 GLN B 17 -30.881 4.493 -13.172 1.00 36.15 N ATOM 1197 HE22 GLN B 17 -30.587 4.267 -12.200 1.00 0.00 H ATOM 1198 HE21 GLN B 17 -31.874 4.370 -13.457 1.00 0.00 H ATOM 1199 H GLN B 17 -27.898 2.388 -12.384 1.00 0.00 H ATOM 1200 N ARG B 18 -26.360 2.400 -16.283 1.00 15.33 N ATOM 1201 CA ARG B 18 -25.255 1.697 -16.910 1.00 14.35 C ATOM 1202 C ARG B 18 -23.940 2.303 -16.509 1.00 13.87 C ATOM 1203 O ARG B 18 -23.854 3.492 -16.229 1.00 14.45 O ATOM 1204 CB ARG B 18 -25.348 1.754 -18.431 1.00 18.39 C ATOM 1205 CG ARG B 18 -26.563 1.157 -19.042 1.00 20.54 C ATOM 1206 CD ARG B 18 -26.923 2.060 -20.214 1.00 21.33 C ATOM 1207 NE ARG B 18 -27.492 1.305 -21.306 1.00 20.12 N ATOM 1208 CZ ARG B 18 -28.758 1.407 -21.692 1.00 16.09 C ATOM 1209 NH1 ARG B 18 -29.584 2.239 -21.071 1.00 19.60 N ATOM 1210 NH2 ARG B 18 -29.195 0.671 -22.700 1.00 18.40 N ATOM 1211 HE ARG B 18 -26.875 0.644 -21.819 1.00 0.00 H ATOM 1212 HH12 ARG B 18 -30.575 2.314 -21.378 1.00 0.00 H ATOM 1213 HH11 ARG B 18 -29.241 2.816 -20.277 1.00 0.00 H ATOM 1214 HH22 ARG B 18 -30.186 0.746 -23.007 1.00 0.00 H ATOM 1215 HH21 ARG B 18 -28.548 0.017 -23.185 1.00 0.00 H ATOM 1216 H ARG B 18 -26.754 3.251 -16.732 1.00 0.00 H ATOM 1217 N ALA B 19 -22.908 1.473 -16.527 1.00 13.09 N ATOM 1218 CA ALA B 19 -21.547 1.955 -16.326 1.00 12.70 C ATOM 1219 C ALA B 19 -20.594 1.277 -17.305 1.00 12.10 C ATOM 1220 O ALA B 19 -20.780 0.110 -17.652 1.00 11.58 O ATOM 1221 CB ALA B 19 -21.105 1.700 -14.917 1.00 12.76 C ATOM 1222 H ALA B 19 -23.072 0.459 -16.688 1.00 0.00 H ATOM 1223 N THR B 20 -19.578 2.015 -17.738 1.00 11.65 N ATOM 1224 CA THR B 20 -18.531 1.455 -18.598 1.00 11.04 C ATOM 1225 C THR B 20 -17.161 1.773 -18.042 1.00 12.87 C ATOM 1226 O THR B 20 -16.898 2.886 -17.617 1.00 14.82 O ATOM 1227 CB THR B 20 -18.630 1.974 -20.049 1.00 14.33 C ATOM 1228 OG1 THR B 20 -19.836 1.476 -20.650 1.00 16.48 O ATOM 1229 CG2 THR B 20 -17.478 1.454 -20.881 1.00 15.43 C ATOM 1230 HG1 THR B 20 -19.901 1.808 -21.580 1.00 0.00 H ATOM 1231 H THR B 20 -19.524 3.016 -17.460 1.00 0.00 H ATOM 1232 N ILE B 21 -16.301 0.766 -18.012 1.00 10.96 N ATOM 1233 CA ILE B 21 -14.929 0.927 -17.572 1.00 10.79 C ATOM 1234 C ILE B 21 -14.038 0.637 -18.771 1.00 11.20 C ATOM 1235 O ILE B 21 -14.270 -0.332 -19.501 1.00 11.77 O ATOM 1236 CB ILE B 21 -14.617 -0.018 -16.401 1.00 12.18 C ATOM 1237 CG1 ILE B 21 -15.488 0.336 -15.188 1.00 14.55 C ATOM 1238 CG2 ILE B 21 -13.114 0.006 -16.028 1.00 12.73 C ATOM 1239 CD1 ILE B 21 -15.367 -0.694 -14.055 1.00 17.54 C ATOM 1240 H ILE B 21 -16.622 -0.176 -18.315 1.00 0.00 H ATOM 1241 N SER B 22 -13.013 1.458 -18.955 1.00 10.66 N ATOM 1242 CA SER B 22 -12.146 1.377 -20.122 1.00 11.18 C ATOM 1243 C SER B 22 -10.803 0.786 -19.729 1.00 9.48 C ATOM 1244 O SER B 22 -10.286 1.068 -18.642 1.00 10.18 O ATOM 1245 CB SER B 22 -11.963 2.781 -20.739 1.00 15.08 C ATOM 1246 OG SER B 22 -10.816 2.841 -21.574 1.00 18.03 O ATOM 1247 HG SER B 22 -10.911 2.186 -22.310 1.00 0.00 H ATOM 1248 H SER B 22 -12.821 2.187 -18.239 1.00 0.00 H ATOM 1249 N CYS B 23 -10.252 -0.051 -20.601 1.00 9.25 N ATOM 1250 CA CYS B 23 -8.898 -0.547 -20.409 1.00 10.22 C ATOM 1251 C CYS B 23 -8.166 -0.401 -21.719 1.00 9.33 C ATOM 1252 O CYS B 23 -8.593 -0.974 -22.727 1.00 10.39 O ATOM 1253 CB CYS B 23 -8.928 -1.995 -19.955 1.00 10.26 C ATOM 1254 SG CYS B 23 -7.298 -2.762 -19.814 1.00 12.10 S ATOM 1255 H CYS B 23 -10.796 -0.356 -21.433 1.00 0.00 H ATOM 1256 N LYS B 24 -7.070 0.362 -21.707 1.00 9.67 N ATOM 1257 CA LYS B 24 -6.271 0.557 -22.911 1.00 11.45 C ATOM 1258 C LYS B 24 -4.896 -0.079 -22.762 1.00 12.07 C ATOM 1259 O LYS B 24 -4.191 0.132 -21.771 1.00 14.75 O ATOM 1260 CB LYS B 24 -6.151 2.039 -23.245 1.00 15.06 C ATOM 1261 CG LYS B 24 -7.485 2.584 -23.705 1.00 17.61 C ATOM 1262 CD LYS B 24 -7.416 4.015 -24.109 1.00 17.76 C ATOM 1263 CE LYS B 24 -8.804 4.487 -24.523 1.00 19.35 C ATOM 1264 NZ LYS B 24 -8.766 5.942 -24.832 1.00 22.73 N ATOM 1265 HZ1 LYS B 24 -8.460 6.467 -23.988 1.00 0.00 H ATOM 1266 HZ2 LYS B 24 -8.097 6.113 -25.609 1.00 0.00 H ATOM 1267 HZ3 LYS B 24 -9.715 6.260 -25.114 1.00 0.00 H ATOM 1268 H LYS B 24 -6.781 0.826 -20.822 1.00 0.00 H ATOM 1269 N ALA B 25 -4.535 -0.870 -23.763 1.00 11.04 N ATOM 1270 CA ALA B 25 -3.261 -1.562 -23.761 1.00 12.12 C ATOM 1271 C ALA B 25 -2.238 -0.779 -24.558 1.00 11.92 C ATOM 1272 O ALA B 25 -2.553 -0.177 -25.590 1.00 13.23 O ATOM 1273 CB ALA B 25 -3.413 -2.967 -24.329 1.00 11.50 C ATOM 1274 H ALA B 25 -5.181 -0.997 -24.568 1.00 0.00 H ATOM 1275 N SER B 26 -0.994 -0.795 -24.095 1.00 11.58 N ATOM 1276 CA SER B 26 0.049 -0.025 -24.774 1.00 12.07 C ATOM 1277 C SER B 26 0.499 -0.655 -26.102 1.00 12.49 C ATOM 1278 O SER B 26 1.074 0.037 -26.952 1.00 15.23 O ATOM 1279 CB SER B 26 1.255 0.173 -23.846 1.00 12.41 C ATOM 1280 OG SER B 26 1.887 -1.073 -23.544 1.00 12.21 O ATOM 1281 HG SER B 26 2.659 -0.913 -22.945 1.00 0.00 H ATOM 1282 H SER B 26 -0.761 -1.355 -23.250 1.00 0.00 H ATOM 1283 N GLN B 27 0.255 -1.959 -26.260 1.00 12.08 N ATOM 1284 CA GLN B 27 0.460 -2.686 -27.517 1.00 12.49 C ATOM 1285 C GLN B 27 -0.738 -3.605 -27.722 1.00 11.91 C ATOM 1286 O GLN B 27 -1.438 -3.909 -26.765 1.00 12.35 O ATOM 1287 CB GLN B 27 1.747 -3.517 -27.482 1.00 15.68 C ATOM 1288 CG GLN B 27 2.983 -2.664 -27.422 1.00 16.09 C ATOM 1289 CD GLN B 27 4.225 -3.473 -27.133 1.00 18.35 C ATOM 1290 OE1 GLN B 27 4.173 -4.511 -26.472 1.00 20.39 O ATOM 1291 NE2 GLN B 27 5.357 -2.987 -27.609 1.00 21.20 N ATOM 1292 HE22 GLN B 27 5.353 -2.107 -28.162 1.00 0.00 H ATOM 1293 HE21 GLN B 27 6.252 -3.485 -27.430 1.00 0.00 H ATOM 1294 H GLN B 27 -0.102 -2.491 -25.441 1.00 0.00 H ATOM 1295 N SER B 28 -0.944 -4.071 -28.956 1.00 12.32 N ATOM 1296 CA SER B 28 -2.073 -4.958 -29.261 1.00 12.17 C ATOM 1297 C SER B 28 -2.070 -6.238 -28.428 1.00 14.07 C ATOM 1298 O SER B 28 -1.012 -6.828 -28.185 1.00 16.16 O ATOM 1299 CB SER B 28 -2.070 -5.333 -30.746 1.00 15.00 C ATOM 1300 OG SER B 28 -3.113 -6.278 -31.010 1.00 14.71 O ATOM 1301 HG SER B 28 -3.106 -6.516 -31.971 1.00 0.00 H ATOM 1302 H SER B 28 -0.290 -3.800 -29.718 1.00 0.00 H ATOM 1303 N VAL B 29 -3.248 -6.677 -28.008 1.00 12.19 N ATOM 1304 CA VAL B 29 -3.344 -7.966 -27.324 1.00 13.77 C ATOM 1305 C VAL B 29 -4.088 -8.975 -28.199 1.00 14.74 C ATOM 1306 O VAL B 29 -4.545 -10.008 -27.718 1.00 14.74 O ATOM 1307 CB VAL B 29 -4.012 -7.826 -25.959 1.00 16.19 C ATOM 1308 CG1 VAL B 29 -3.216 -6.841 -25.100 1.00 18.15 C ATOM 1309 CG2 VAL B 29 -5.430 -7.353 -26.110 1.00 16.95 C ATOM 1310 H VAL B 29 -4.103 -6.106 -28.165 1.00 0.00 H ATOM 1311 N ASP B 30 -4.169 -8.674 -29.494 1.00 13.91 N ATOM 1312 CA ASP B 30 -4.784 -9.578 -30.466 1.00 13.21 C ATOM 1313 C ASP B 30 -3.821 -10.641 -30.953 1.00 16.16 C ATOM 1314 O ASP B 30 -2.623 -10.382 -31.135 1.00 18.07 O ATOM 1315 CB ASP B 30 -5.279 -8.820 -31.704 1.00 13.56 C ATOM 1316 CG ASP B 30 -6.464 -7.909 -31.420 1.00 18.72 C ATOM 1317 OD1 ASP B 30 -7.035 -7.970 -30.310 1.00 19.15 O ATOM 1318 OD2 ASP B 30 -6.808 -7.133 -32.340 1.00 25.41 O ATOM 1319 H ASP B 30 -3.783 -7.767 -29.825 1.00 0.00 H ATOM 1320 N HIS B 31 -4.362 -11.820 -31.228 1.00 16.99 N ATOM 1321 CA HIS B 31 -3.603 -12.828 -31.952 1.00 21.06 C ATOM 1322 C HIS B 31 -4.567 -13.764 -32.674 1.00 22.98 C ATOM 1323 O HIS B 31 -5.510 -14.257 -32.067 1.00 22.00 O ATOM 1324 CB HIS B 31 -2.692 -13.612 -31.008 1.00 23.34 C ATOM 1325 CG HIS B 31 -1.575 -14.318 -31.711 1.00 30.25 C ATOM 1326 ND1 HIS B 31 -0.424 -13.674 -32.112 1.00 33.83 N ATOM 1327 CD2 HIS B 31 -1.443 -15.606 -32.109 1.00 32.68 C ATOM 1328 CE1 HIS B 31 0.374 -14.536 -32.716 1.00 35.25 C ATOM 1329 NE2 HIS B 31 -0.222 -15.716 -32.728 1.00 35.31 N ATOM 1330 H HIS B 31 -5.335 -12.025 -30.924 1.00 0.00 H ATOM 1331 N ASP B 32 -4.342 -13.970 -33.973 1.00 29.66 N ATOM 1332 CA ASP B 32 -5.155 -14.887 -34.782 1.00 35.32 C ATOM 1333 C ASP B 32 -6.656 -14.665 -34.667 1.00 34.00 C ATOM 1334 O ASP B 32 -7.425 -15.623 -34.564 1.00 34.69 O ATOM 1335 CB ASP B 32 -4.847 -16.340 -34.417 1.00 40.34 C ATOM 1336 CG ASP B 32 -3.386 -16.687 -34.594 1.00 46.39 C ATOM 1337 OD1 ASP B 32 -2.732 -16.078 -35.472 1.00 49.22 O ATOM 1338 OD2 ASP B 32 -2.896 -17.574 -33.859 1.00 48.51 O ATOM 1339 H ASP B 32 -3.559 -13.461 -34.431 1.00 0.00 H ATOM 1340 N GLY B 33 -7.073 -13.406 -34.675 1.00 32.21 N ATOM 1341 CA GLY B 33 -8.487 -13.087 -34.654 1.00 30.23 C ATOM 1342 C GLY B 33 -9.151 -13.109 -33.285 1.00 27.54 C ATOM 1343 O GLY B 33 -10.362 -12.917 -33.193 1.00 29.24 O ATOM 1344 H GLY B 33 -6.375 -12.636 -34.697 1.00 0.00 H ATOM 1345 N ASP B 34 -8.377 -13.363 -32.230 1.00 22.77 N ATOM 1346 CA ASP B 34 -8.897 -13.272 -30.866 1.00 19.32 C ATOM 1347 C ASP B 34 -8.187 -12.173 -30.091 1.00 17.58 C ATOM 1348 O ASP B 34 -7.082 -11.777 -30.445 1.00 19.63 O ATOM 1349 CB ASP B 34 -8.752 -14.598 -30.118 1.00 21.28 C ATOM 1350 CG ASP B 34 -9.438 -15.737 -30.835 1.00 25.78 C ATOM 1351 OD1 ASP B 34 -10.686 -15.737 -30.881 1.00 29.00 O ATOM 1352 OD2 ASP B 34 -8.730 -16.615 -31.359 1.00 25.78 O ATOM 1353 H ASP B 34 -7.383 -13.631 -32.380 1.00 0.00 H ATOM 1354 N SER B 35 -8.828 -11.687 -29.036 1.00 14.54 N ATOM 1355 CA SER B 35 -8.250 -10.613 -28.232 1.00 12.89 C ATOM 1356 C SER B 35 -8.109 -11.105 -26.805 1.00 12.92 C ATOM 1357 O SER B 35 -9.111 -11.366 -26.156 1.00 13.94 O ATOM 1358 CB SER B 35 -9.122 -9.354 -28.273 1.00 14.51 C ATOM 1359 OG SER B 35 -9.342 -8.924 -29.611 1.00 17.86 O ATOM 1360 HG SER B 35 -8.472 -8.721 -30.038 1.00 0.00 H ATOM 1361 H SER B 35 -9.757 -12.077 -28.777 1.00 0.00 H ATOM 1362 N TYR B 36 -6.878 -11.250 -26.321 1.00 10.95 N ATOM 1363 CA TYR B 36 -6.657 -11.908 -25.029 1.00 10.62 C ATOM 1364 C TYR B 36 -6.680 -10.894 -23.881 1.00 9.69 C ATOM 1365 O TYR B 36 -5.655 -10.583 -23.262 1.00 11.43 O ATOM 1366 CB TYR B 36 -5.349 -12.715 -25.073 1.00 11.09 C ATOM 1367 CG TYR B 36 -5.497 -13.905 -25.990 1.00 12.25 C ATOM 1368 CD1 TYR B 36 -6.068 -15.081 -25.518 1.00 13.58 C ATOM 1369 CD2 TYR B 36 -5.123 -13.840 -27.331 1.00 13.87 C ATOM 1370 CE1 TYR B 36 -6.247 -16.166 -26.339 1.00 14.94 C ATOM 1371 CE2 TYR B 36 -5.300 -14.941 -28.164 1.00 14.51 C ATOM 1372 CZ TYR B 36 -5.864 -16.096 -27.647 1.00 16.08 C ATOM 1373 OH TYR B 36 -6.045 -17.203 -28.449 1.00 19.21 O ATOM 1374 HH TYR B 36 -6.639 -16.968 -29.205 1.00 0.00 H ATOM 1375 H TYR B 36 -6.065 -10.894 -26.864 1.00 0.00 H ATOM 1376 N MET B 37 -7.878 -10.363 -23.642 1.00 11.52 N ATOM 1377 CA MET B 37 -8.140 -9.455 -22.535 1.00 10.86 C ATOM 1378 C MET B 37 -9.196 -10.057 -21.632 1.00 9.93 C ATOM 1379 O MET B 37 -10.291 -10.430 -22.093 1.00 11.93 O ATOM 1380 CB MET B 37 -8.624 -8.074 -23.009 1.00 14.78 C ATOM 1381 CG MET B 37 -8.638 -7.005 -21.867 1.00 14.69 C ATOM 1382 SD MET B 37 -7.003 -6.617 -21.244 1.00 15.19 S ATOM 1383 CE MET B 37 -6.465 -5.392 -22.452 1.00 15.21 C ATOM 1384 H MET B 37 -8.664 -10.609 -24.277 1.00 0.00 H ATOM 1385 N ASN B 38 -8.858 -10.138 -20.353 1.00 10.20 N ATOM 1386 CA ASN B 38 -9.795 -10.590 -19.331 1.00 9.74 C ATOM 1387 C ASN B 38 -10.225 -9.443 -18.432 1.00 10.61 C ATOM 1388 O ASN B 38 -9.487 -8.478 -18.271 1.00 10.74 O ATOM 1389 CB ASN B 38 -9.171 -11.668 -18.454 1.00 9.49 C ATOM 1390 CG ASN B 38 -8.698 -12.863 -19.244 1.00 10.04 C ATOM 1391 OD1 ASN B 38 -9.347 -13.280 -20.218 1.00 10.44 O ATOM 1392 ND2 ASN B 38 -7.564 -13.443 -18.820 1.00 9.32 N ATOM 1393 HD22 ASN B 38 -7.057 -13.055 -17.999 1.00 0.00 H ATOM 1394 HD21 ASN B 38 -7.192 -14.280 -19.313 1.00 0.00 H ATOM 1395 H ASN B 38 -7.894 -9.871 -20.069 1.00 0.00 H ATOM 1396 N TRP B 39 -11.391 -9.590 -17.816 1.00 8.37 N ATOM 1397 CA TRP B 39 -11.846 -8.670 -16.776 1.00 8.60 C ATOM 1398 C TRP B 39 -12.139 -9.438 -15.516 1.00 9.71 C ATOM 1399 O TRP B 39 -12.803 -10.488 -15.567 1.00 10.92 O ATOM 1400 CB TRP B 39 -13.115 -7.924 -17.181 1.00 7.94 C ATOM 1401 CG TRP B 39 -12.916 -6.937 -18.284 1.00 8.01 C ATOM 1402 CD1 TRP B 39 -13.094 -7.152 -19.629 1.00 9.73 C ATOM 1403 CD2 TRP B 39 -12.531 -5.572 -18.143 1.00 9.12 C ATOM 1404 NE1 TRP B 39 -12.822 -6.000 -20.332 1.00 9.66 N ATOM 1405 CE2 TRP B 39 -12.491 -5.011 -19.441 1.00 8.24 C ATOM 1406 CE3 TRP B 39 -12.240 -4.759 -17.046 1.00 9.03 C ATOM 1407 CZ2 TRP B 39 -12.160 -3.672 -19.668 1.00 8.44 C ATOM 1408 CZ3 TRP B 39 -11.900 -3.433 -17.271 1.00 10.70 C ATOM 1409 CH2 TRP B 39 -11.876 -2.899 -18.577 1.00 10.75 C ATOM 1410 HE1 TRP B 39 -12.861 -5.897 -21.366 1.00 0.00 H ATOM 1411 H TRP B 39 -12.002 -10.388 -18.083 1.00 0.00 H ATOM 1412 N PHE B 40 -11.662 -8.908 -14.389 1.00 8.86 N ATOM 1413 CA PHE B 40 -11.881 -9.495 -13.052 1.00 9.67 C ATOM 1414 C PHE B 40 -12.594 -8.511 -12.145 1.00 9.61 C ATOM 1415 O PHE B 40 -12.417 -7.301 -12.290 1.00 10.98 O ATOM 1416 CB PHE B 40 -10.560 -9.883 -12.380 1.00 10.08 C ATOM 1417 CG PHE B 40 -9.842 -11.010 -13.034 1.00 7.91 C ATOM 1418 CD1 PHE B 40 -8.958 -10.783 -14.074 1.00 8.92 C ATOM 1419 CD2 PHE B 40 -10.032 -12.309 -12.597 1.00 10.11 C ATOM 1420 CE1 PHE B 40 -8.288 -11.832 -14.681 1.00 9.69 C ATOM 1421 CE2 PHE B 40 -9.373 -13.368 -13.216 1.00 10.66 C ATOM 1422 CZ PHE B 40 -8.489 -13.118 -14.239 1.00 8.21 C ATOM 1423 H PHE B 40 -11.105 -8.032 -14.456 1.00 0.00 H ATOM 1424 N GLN B 41 -13.394 -9.040 -11.222 1.00 9.23 N ATOM 1425 CA GLN B 41 -14.005 -8.282 -10.141 1.00 10.03 C ATOM 1426 C GLN B 41 -13.352 -8.692 -8.839 1.00 11.48 C ATOM 1427 O GLN B 41 -13.170 -9.888 -8.620 1.00 12.90 O ATOM 1428 CB GLN B 41 -15.509 -8.588 -10.069 1.00 9.56 C ATOM 1429 CG GLN B 41 -16.270 -7.815 -9.022 1.00 10.88 C ATOM 1430 CD GLN B 41 -17.646 -8.390 -8.821 1.00 14.35 C ATOM 1431 OE1 GLN B 41 -17.787 -9.527 -8.357 1.00 14.18 O ATOM 1432 NE2 GLN B 41 -18.676 -7.618 -9.179 1.00 14.42 N ATOM 1433 HE22 GLN B 41 -18.504 -6.668 -9.565 1.00 0.00 H ATOM 1434 HE21 GLN B 41 -19.650 -7.967 -9.072 1.00 0.00 H ATOM 1435 H GLN B 41 -13.595 -10.059 -11.277 1.00 0.00 H ATOM 1436 N GLN B 42 -12.997 -7.744 -7.978 1.00 10.53 N ATOM 1437 CA GLN B 42 -12.496 -8.117 -6.655 1.00 11.18 C ATOM 1438 C GLN B 42 -13.139 -7.297 -5.542 1.00 12.66 C ATOM 1439 O GLN B 42 -13.204 -6.073 -5.611 1.00 14.61 O ATOM 1440 CB GLN B 42 -10.976 -7.964 -6.592 1.00 11.90 C ATOM 1441 CG GLN B 42 -10.361 -8.507 -5.305 1.00 12.49 C ATOM 1442 CD GLN B 42 -8.856 -8.322 -5.285 1.00 12.50 C ATOM 1443 OE1 GLN B 42 -8.334 -7.331 -5.796 1.00 13.50 O ATOM 1444 NE2 GLN B 42 -8.145 -9.292 -4.704 1.00 14.74 N ATOM 1445 HE22 GLN B 42 -8.629 -10.112 -4.285 1.00 0.00 H ATOM 1446 HE21 GLN B 42 -7.108 -9.228 -4.671 1.00 0.00 H ATOM 1447 H GLN B 42 -13.075 -6.741 -8.243 1.00 0.00 H ATOM 1448 N LYS B 43 -13.573 -7.985 -4.491 1.00 14.47 N ATOM 1449 CA LYS B 43 -14.071 -7.328 -3.283 1.00 18.12 C ATOM 1450 C LYS B 43 -13.050 -7.521 -2.171 1.00 18.27 C ATOM 1451 O LYS B 43 -12.270 -8.473 -2.211 1.00 17.93 O ATOM 1452 CB LYS B 43 -15.438 -7.888 -2.896 1.00 18.89 C ATOM 1453 CG LYS B 43 -16.458 -7.738 -4.006 1.00 17.63 C ATOM 1454 CD LYS B 43 -17.819 -8.242 -3.584 1.00 18.83 C ATOM 1455 CE LYS B 43 -18.811 -8.107 -4.727 1.00 19.08 C ATOM 1456 NZ LYS B 43 -20.196 -8.370 -4.252 1.00 20.97 N ATOM 1457 HZ1 LYS B 43 -20.252 -9.335 -3.868 1.00 0.00 H ATOM 1458 HZ2 LYS B 43 -20.442 -7.685 -3.509 1.00 0.00 H ATOM 1459 HZ3 LYS B 43 -20.858 -8.273 -5.048 1.00 0.00 H ATOM 1460 H LYS B 43 -13.558 -9.024 -4.529 1.00 0.00 H ATOM 1461 N PRO B 44 -13.026 -6.606 -1.187 1.00 20.42 N ATOM 1462 CA PRO B 44 -12.028 -6.665 -0.113 1.00 23.07 C ATOM 1463 C PRO B 44 -11.974 -8.032 0.573 1.00 23.16 C ATOM 1464 O PRO B 44 -13.011 -8.630 0.869 1.00 23.44 O ATOM 1465 CB PRO B 44 -12.497 -5.580 0.859 1.00 25.47 C ATOM 1466 CG PRO B 44 -13.245 -4.605 -0.010 1.00 26.19 C ATOM 1467 CD PRO B 44 -13.921 -5.439 -1.052 1.00 22.05 C ATOM 1468 N GLY B 45 -10.760 -8.534 0.775 1.00 23.87 N ATOM 1469 CA GLY B 45 -10.564 -9.812 1.439 1.00 23.76 C ATOM 1470 C GLY B 45 -10.877 -11.027 0.587 1.00 23.71 C ATOM 1471 O GLY B 45 -10.806 -12.151 1.072 1.00 26.52 O ATOM 1472 H GLY B 45 -9.930 -7.999 0.450 1.00 0.00 H ATOM 1473 N GLN B 46 -11.206 -10.816 -0.687 1.00 18.75 N ATOM 1474 CA GLN B 46 -11.524 -11.927 -1.587 1.00 18.60 C ATOM 1475 C GLN B 46 -10.580 -12.003 -2.785 1.00 16.13 C ATOM 1476 O GLN B 46 -9.917 -11.030 -3.132 1.00 16.49 O ATOM 1477 CB GLN B 46 -12.951 -11.811 -2.110 1.00 20.90 C ATOM 1478 CG GLN B 46 -14.035 -11.931 -1.071 1.00 25.55 C ATOM 1479 CD GLN B 46 -15.413 -11.920 -1.701 1.00 26.53 C ATOM 1480 OE1 GLN B 46 -15.559 -11.707 -2.912 1.00 24.39 O ATOM 1481 NE2 GLN B 46 -16.431 -12.147 -0.889 1.00 27.26 N ATOM 1482 HE22 GLN B 46 -16.261 -12.321 0.122 1.00 0.00 H ATOM 1483 HE21 GLN B 46 -17.402 -12.151 -1.261 1.00 0.00 H ATOM 1484 H GLN B 46 -11.238 -9.842 -1.050 1.00 0.00 H ATOM 1485 N SER B 47 -10.521 -13.164 -3.429 1.00 16.36 N ATOM 1486 CA SER B 47 -9.717 -13.314 -4.639 1.00 15.14 C ATOM 1487 C SER B 47 -10.418 -12.667 -5.825 1.00 14.70 C ATOM 1488 O SER B 47 -11.652 -12.580 -5.845 1.00 14.10 O ATOM 1489 CB SER B 47 -9.450 -14.793 -4.939 1.00 15.35 C ATOM 1490 OG SER B 47 -10.665 -15.491 -5.157 1.00 15.85 O ATOM 1491 HG SER B 47 -10.468 -16.442 -5.348 1.00 0.00 H ATOM 1492 H SER B 47 -11.056 -13.979 -3.066 1.00 0.00 H ATOM 1493 N PRO B 48 -9.643 -12.219 -6.823 1.00 12.27 N ATOM 1494 CA PRO B 48 -10.260 -11.744 -8.070 1.00 12.53 C ATOM 1495 C PRO B 48 -11.150 -12.825 -8.683 1.00 13.20 C ATOM 1496 O PRO B 48 -10.806 -14.014 -8.656 1.00 14.36 O ATOM 1497 CB PRO B 48 -9.046 -11.443 -8.970 1.00 12.98 C ATOM 1498 CG PRO B 48 -7.964 -11.110 -8.013 1.00 13.82 C ATOM 1499 CD PRO B 48 -8.176 -12.085 -6.866 1.00 13.12 C ATOM 1500 N LYS B 49 -12.308 -12.408 -9.193 1.00 11.66 N ATOM 1501 CA LYS B 49 -13.274 -13.300 -9.822 1.00 11.29 C ATOM 1502 C LYS B 49 -13.370 -12.984 -11.311 1.00 9.99 C ATOM 1503 O LYS B 49 -13.671 -11.848 -11.693 1.00 11.31 O ATOM 1504 CB LYS B 49 -14.641 -13.136 -9.153 1.00 13.68 C ATOM 1505 CG LYS B 49 -15.770 -13.841 -9.816 1.00 18.33 C ATOM 1506 CD LYS B 49 -17.076 -13.618 -9.026 1.00 21.43 C ATOM 1507 H LYS B 49 -12.534 -11.394 -9.140 1.00 0.00 H ATOM 1508 N LEU B 50 -13.110 -13.978 -12.153 1.00 8.76 N ATOM 1509 CA LEU B 50 -13.155 -13.764 -13.611 1.00 8.03 C ATOM 1510 C LEU B 50 -14.573 -13.466 -14.091 1.00 8.63 C ATOM 1511 O LEU B 50 -15.495 -14.222 -13.797 1.00 12.12 O ATOM 1512 CB LEU B 50 -12.617 -14.985 -14.364 1.00 9.65 C ATOM 1513 CG LEU B 50 -12.601 -14.924 -15.894 1.00 10.01 C ATOM 1514 CD1 LEU B 50 -11.595 -13.869 -16.380 1.00 10.91 C ATOM 1515 CD2 LEU B 50 -12.294 -16.309 -16.501 1.00 11.45 C ATOM 1516 H LEU B 50 -12.872 -14.919 -11.779 1.00 0.00 H ATOM 1517 N LEU B 51 -14.722 -12.364 -14.834 1.00 8.77 N ATOM 1518 CA LEU B 51 -16.027 -11.943 -15.359 1.00 10.41 C ATOM 1519 C LEU B 51 -16.138 -12.212 -16.852 1.00 11.02 C ATOM 1520 O LEU B 51 -17.136 -12.759 -17.323 1.00 10.28 O ATOM 1521 CB LEU B 51 -16.251 -10.452 -15.131 1.00 10.70 C ATOM 1522 CG LEU B 51 -16.178 -9.887 -13.723 1.00 10.96 C ATOM 1523 CD1 LEU B 51 -16.154 -8.359 -13.800 1.00 13.87 C ATOM 1524 CD2 LEU B 51 -17.344 -10.382 -12.889 1.00 12.60 C ATOM 1525 H LEU B 51 -13.885 -11.785 -15.047 1.00 0.00 H ATOM 1526 N ILE B 52 -15.105 -11.801 -17.577 1.00 10.45 N ATOM 1527 CA ILE B 52 -15.066 -11.824 -19.029 1.00 10.68 C ATOM 1528 C ILE B 52 -13.706 -12.362 -19.469 1.00 9.59 C ATOM 1529 O ILE B 52 -12.667 -11.954 -18.924 1.00 10.07 O ATOM 1530 CB ILE B 52 -15.257 -10.407 -19.631 1.00 10.03 C ATOM 1531 CG1 ILE B 52 -16.596 -9.766 -19.220 1.00 9.78 C ATOM 1532 CG2 ILE B 52 -15.111 -10.431 -21.149 1.00 12.36 C ATOM 1533 CD1 ILE B 52 -17.837 -10.368 -19.820 1.00 12.17 C ATOM 1534 H ILE B 52 -14.270 -11.439 -17.073 1.00 0.00 H ATOM 1535 N TYR B 53 -13.687 -13.291 -20.422 1.00 9.94 N ATOM 1536 CA TYR B 53 -12.413 -13.690 -21.002 1.00 8.87 C ATOM 1537 C TYR B 53 -12.412 -13.478 -22.518 1.00 10.10 C ATOM 1538 O TYR B 53 -13.466 -13.454 -23.170 1.00 10.54 O ATOM 1539 CB TYR B 53 -12.066 -15.153 -20.654 1.00 12.00 C ATOM 1540 CG TYR B 53 -13.081 -16.153 -21.160 1.00 11.93 C ATOM 1541 CD1 TYR B 53 -14.199 -16.472 -20.397 1.00 10.55 C ATOM 1542 CD2 TYR B 53 -12.936 -16.764 -22.393 1.00 9.57 C ATOM 1543 CE1 TYR B 53 -15.146 -17.367 -20.852 1.00 12.47 C ATOM 1544 CE2 TYR B 53 -13.884 -17.658 -22.862 1.00 10.73 C ATOM 1545 CZ TYR B 53 -14.985 -17.954 -22.087 1.00 12.58 C ATOM 1546 OH TYR B 53 -15.910 -18.842 -22.572 1.00 15.98 O ATOM 1547 HH TYR B 53 -15.474 -19.716 -22.734 1.00 0.00 H ATOM 1548 H TYR B 53 -14.573 -13.727 -20.749 1.00 0.00 H ATOM 1549 N ALA B 54 -11.211 -13.305 -23.061 1.00 10.07 N ATOM 1550 CA ALA B 54 -10.993 -13.066 -24.493 1.00 10.82 C ATOM 1551 C ALA B 54 -11.932 -11.976 -25.011 1.00 11.32 C ATOM 1552 O ALA B 54 -12.623 -12.138 -26.015 1.00 12.44 O ATOM 1553 CB ALA B 54 -11.134 -14.360 -25.306 1.00 14.05 C ATOM 1554 H ALA B 54 -10.380 -13.341 -22.437 1.00 0.00 H ATOM 1555 N ALA B 55 -11.934 -10.883 -24.254 1.00 11.35 N ATOM 1556 CA ALA B 55 -12.585 -9.597 -24.568 1.00 11.10 C ATOM 1557 C ALA B 55 -14.095 -9.586 -24.403 1.00 10.06 C ATOM 1558 O ALA B 55 -14.622 -8.599 -23.891 1.00 11.52 O ATOM 1559 CB ALA B 55 -12.236 -9.137 -25.975 1.00 12.01 C ATOM 1560 H ALA B 55 -11.425 -10.940 -23.349 1.00 0.00 H ATOM 1561 N SER B 56 -14.792 -10.633 -24.845 1.00 10.12 N ATOM 1562 CA SER B 56 -16.246 -10.556 -24.921 1.00 12.72 C ATOM 1563 C SER B 56 -16.981 -11.796 -24.438 1.00 12.55 C ATOM 1564 O SER B 56 -18.205 -11.866 -24.536 1.00 13.42 O ATOM 1565 CB SER B 56 -16.669 -10.263 -26.359 1.00 14.70 C ATOM 1566 OG SER B 56 -16.258 -11.321 -27.217 1.00 17.67 O ATOM 1567 HG SER B 56 -16.538 -11.119 -28.145 1.00 0.00 H ATOM 1568 H SER B 56 -14.300 -11.502 -25.135 1.00 0.00 H ATOM 1569 N ASN B 57 -16.261 -12.781 -23.903 1.00 11.85 N ATOM 1570 CA ASN B 57 -16.941 -13.991 -23.457 1.00 11.72 C ATOM 1571 C ASN B 57 -17.315 -13.922 -21.981 1.00 9.78 C ATOM 1572 O ASN B 57 -16.468 -13.658 -21.134 1.00 11.63 O ATOM 1573 CB ASN B 57 -16.071 -15.225 -23.690 1.00 12.77 C ATOM 1574 CG ASN B 57 -15.650 -15.389 -25.136 1.00 16.79 C ATOM 1575 OD1 ASN B 57 -14.557 -14.961 -25.543 1.00 19.60 O ATOM 1576 ND2 ASN B 57 -16.504 -16.010 -25.919 1.00 16.86 N ATOM 1577 HD22 ASN B 57 -17.408 -16.352 -25.535 1.00 0.00 H ATOM 1578 HD21 ASN B 57 -16.276 -16.160 -26.923 1.00 0.00 H ATOM 1579 H ASN B 57 -15.230 -12.688 -23.805 1.00 0.00 H ATOM 1580 N LEU B 58 -18.582 -14.167 -21.685 1.00 11.09 N ATOM 1581 CA LEU B 58 -19.071 -14.131 -20.322 1.00 11.41 C ATOM 1582 C LEU B 58 -18.693 -15.430 -19.632 1.00 13.17 C ATOM 1583 O LEU B 58 -19.035 -16.524 -20.115 1.00 13.35 O ATOM 1584 CB LEU B 58 -20.593 -13.926 -20.317 1.00 12.78 C ATOM 1585 CG LEU B 58 -21.300 -13.769 -18.967 1.00 14.50 C ATOM 1586 CD1 LEU B 58 -20.793 -12.542 -18.259 1.00 16.36 C ATOM 1587 CD2 LEU B 58 -22.812 -13.676 -19.162 1.00 14.65 C ATOM 1588 H LEU B 58 -19.246 -14.392 -22.454 1.00 0.00 H ATOM 1589 N GLU B 59 -17.969 -15.319 -18.523 1.00 13.36 N ATOM 1590 CA GLU B 59 -17.590 -16.491 -17.744 1.00 13.30 C ATOM 1591 C GLU B 59 -18.823 -17.176 -17.140 1.00 14.45 C ATOM 1592 O GLU B 59 -19.775 -16.514 -16.702 1.00 13.57 O ATOM 1593 CB GLU B 59 -16.587 -16.090 -16.645 1.00 12.95 C ATOM 1594 CG GLU B 59 -16.314 -17.167 -15.565 1.00 15.53 C ATOM 1595 CD GLU B 59 -15.622 -18.417 -16.103 1.00 17.95 C ATOM 1596 OE1 GLU B 59 -15.569 -18.610 -17.328 1.00 18.62 O ATOM 1597 OE2 GLU B 59 -15.116 -19.213 -15.284 1.00 20.37 O ATOM 1598 H GLU B 59 -17.667 -14.376 -18.204 1.00 0.00 H ATOM 1599 N SER B 60 -18.820 -18.507 -17.136 1.00 14.65 N ATOM 1600 CA SER B 60 -19.881 -19.257 -16.468 1.00 17.81 C ATOM 1601 C SER B 60 -20.096 -18.760 -15.041 1.00 16.81 C ATOM 1602 O SER B 60 -19.128 -18.545 -14.311 1.00 16.91 O ATOM 1603 CB SER B 60 -19.543 -20.748 -16.452 1.00 21.39 C ATOM 1604 OG SER B 60 -20.526 -21.468 -15.730 1.00 27.89 O ATOM 1605 HG SER B 60 -20.560 -21.134 -14.799 1.00 0.00 H ATOM 1606 H SER B 60 -18.052 -19.020 -17.615 1.00 0.00 H ATOM 1607 N GLY B 61 -21.362 -18.557 -14.657 1.00 19.59 N ATOM 1608 CA GLY B 61 -21.701 -18.181 -13.287 1.00 19.91 C ATOM 1609 C GLY B 61 -21.764 -16.683 -13.044 1.00 19.69 C ATOM 1610 O GLY B 61 -22.130 -16.234 -11.949 1.00 21.61 O ATOM 1611 H GLY B 61 -22.126 -18.670 -15.354 1.00 0.00 H ATOM 1612 N ILE B 62 -21.421 -15.918 -14.075 1.00 13.66 N ATOM 1613 CA ILE B 62 -21.456 -14.456 -14.025 1.00 13.00 C ATOM 1614 C ILE B 62 -22.727 -13.930 -14.727 1.00 13.88 C ATOM 1615 O ILE B 62 -23.063 -14.375 -15.824 1.00 14.90 O ATOM 1616 CB ILE B 62 -20.199 -13.866 -14.694 1.00 11.41 C ATOM 1617 CG1 ILE B 62 -18.932 -14.459 -14.061 1.00 13.20 C ATOM 1618 CG2 ILE B 62 -20.196 -12.320 -14.617 1.00 13.71 C ATOM 1619 CD1 ILE B 62 -18.776 -14.137 -12.569 1.00 14.69 C ATOM 1620 H ILE B 62 -21.114 -16.378 -14.956 1.00 0.00 H ATOM 1621 N PRO B 63 -23.427 -12.975 -14.102 1.00 13.58 N ATOM 1622 CA PRO B 63 -24.666 -12.436 -14.686 1.00 15.54 C ATOM 1623 C PRO B 63 -24.444 -11.732 -16.023 1.00 13.69 C ATOM 1624 O PRO B 63 -23.406 -11.102 -16.247 1.00 15.45 O ATOM 1625 CB PRO B 63 -25.142 -11.440 -13.626 1.00 18.03 C ATOM 1626 CG PRO B 63 -24.563 -11.931 -12.352 1.00 19.06 C ATOM 1627 CD PRO B 63 -23.198 -12.453 -12.745 1.00 15.80 C ATOM 1628 N ALA B 64 -25.444 -11.822 -16.899 1.00 15.44 N ATOM 1629 CA ALA B 64 -25.345 -11.264 -18.240 1.00 15.93 C ATOM 1630 C ALA B 64 -25.425 -9.742 -18.239 1.00 17.15 C ATOM 1631 O ALA B 64 -25.338 -9.120 -19.300 1.00 17.06 O ATOM 1632 CB ALA B 64 -26.428 -11.836 -19.119 1.00 19.39 C ATOM 1633 H ALA B 64 -26.321 -12.305 -16.617 1.00 0.00 H ATOM 1634 N ARG B 65 -25.611 -9.163 -17.052 1.00 14.77 N ATOM 1635 CA ARG B 65 -25.486 -7.714 -16.870 1.00 13.14 C ATOM 1636 C ARG B 65 -24.076 -7.243 -17.217 1.00 13.41 C ATOM 1637 O ARG B 65 -23.877 -6.082 -17.546 1.00 12.95 O ATOM 1638 CB ARG B 65 -25.812 -7.307 -15.433 1.00 13.53 C ATOM 1639 CG ARG B 65 -27.214 -7.685 -14.972 1.00 15.27 C ATOM 1640 CD ARG B 65 -27.494 -7.155 -13.582 1.00 17.56 C ATOM 1641 NE ARG B 65 -26.627 -7.751 -12.566 1.00 18.18 N ATOM 1642 CZ ARG B 65 -25.585 -7.137 -12.014 1.00 17.22 C ATOM 1643 NH1 ARG B 65 -25.249 -5.917 -12.411 1.00 17.31 N ATOM 1644 NH2 ARG B 65 -24.859 -7.746 -11.079 1.00 18.33 N ATOM 1645 HE ARG B 65 -26.840 -8.720 -12.254 1.00 0.00 H ATOM 1646 HH12 ARG B 65 -24.434 -5.436 -11.980 1.00 0.00 H ATOM 1647 HH11 ARG B 65 -25.800 -5.441 -13.154 1.00 0.00 H ATOM 1648 HH22 ARG B 65 -24.046 -7.258 -10.653 1.00 0.00 H ATOM 1649 HH21 ARG B 65 -25.105 -8.710 -10.775 1.00 0.00 H ATOM 1650 H ARG B 65 -25.852 -9.756 -16.232 1.00 0.00 H ATOM 1651 N PHE B 66 -23.097 -8.141 -17.104 1.00 12.01 N ATOM 1652 CA PHE B 66 -21.717 -7.853 -17.505 1.00 10.91 C ATOM 1653 C PHE B 66 -21.479 -8.224 -18.950 1.00 13.61 C ATOM 1654 O PHE B 66 -21.860 -9.307 -19.383 1.00 12.02 O ATOM 1655 CB PHE B 66 -20.711 -8.597 -16.610 1.00 10.44 C ATOM 1656 CG PHE B 66 -20.776 -8.177 -15.176 1.00 10.62 C ATOM 1657 CD1 PHE B 66 -20.007 -7.107 -14.727 1.00 10.40 C ATOM 1658 CD2 PHE B 66 -21.590 -8.833 -14.274 1.00 13.83 C ATOM 1659 CE1 PHE B 66 -20.080 -6.699 -13.405 1.00 11.36 C ATOM 1660 CE2 PHE B 66 -21.660 -8.426 -12.963 1.00 14.40 C ATOM 1661 CZ PHE B 66 -20.899 -7.359 -12.524 1.00 13.54 C ATOM 1662 H PHE B 66 -23.321 -9.080 -16.717 1.00 0.00 H ATOM 1663 N SER B 67 -20.854 -7.315 -19.701 1.00 11.11 N ATOM 1664 CA SER B 67 -20.409 -7.641 -21.053 1.00 10.96 C ATOM 1665 C SER B 67 -19.090 -6.953 -21.359 1.00 10.31 C ATOM 1666 O SER B 67 -18.770 -5.911 -20.777 1.00 10.65 O ATOM 1667 CB SER B 67 -21.466 -7.275 -22.107 1.00 14.77 C ATOM 1668 OG SER B 67 -21.726 -5.889 -22.119 1.00 16.37 O ATOM 1669 HG SER B 67 -22.060 -5.609 -21.230 1.00 0.00 H ATOM 1670 H SER B 67 -20.682 -6.363 -19.319 1.00 0.00 H ATOM 1671 N GLY B 68 -18.331 -7.548 -22.267 1.00 9.74 N ATOM 1672 CA GLY B 68 -17.065 -6.989 -22.696 1.00 10.05 C ATOM 1673 C GLY B 68 -17.075 -6.684 -24.178 1.00 12.10 C ATOM 1674 O GLY B 68 -17.735 -7.390 -24.958 1.00 12.69 O ATOM 1675 H GLY B 68 -18.654 -8.444 -22.685 1.00 0.00 H ATOM 1676 N SER B 69 -16.345 -5.635 -24.559 1.00 10.89 N ATOM 1677 CA SER B 69 -16.213 -5.224 -25.963 1.00 11.32 C ATOM 1678 C SER B 69 -14.776 -4.810 -26.247 1.00 10.53 C ATOM 1679 O SER B 69 -14.008 -4.542 -25.325 1.00 11.14 O ATOM 1680 CB SER B 69 -17.143 -4.051 -26.298 1.00 12.18 C ATOM 1681 OG SER B 69 -18.514 -4.402 -26.239 1.00 14.28 O ATOM 1682 HG SER B 69 -19.066 -3.611 -26.463 1.00 0.00 H ATOM 1683 H SER B 69 -15.848 -5.084 -23.831 1.00 0.00 H ATOM 1684 N GLY B 70 -14.429 -4.718 -27.527 1.00 10.23 N ATOM 1685 CA GLY B 70 -13.139 -4.182 -27.921 1.00 10.25 C ATOM 1686 C GLY B 70 -12.204 -5.148 -28.610 1.00 14.09 C ATOM 1687 O GLY B 70 -12.460 -6.348 -28.694 1.00 17.98 O ATOM 1688 H GLY B 70 -15.095 -5.036 -28.260 1.00 0.00 H ATOM 1689 N SER B 71 -11.109 -4.603 -29.120 1.00 11.94 N ATOM 1690 CA SER B 71 -10.088 -5.396 -29.772 1.00 13.26 C ATOM 1691 C SER B 71 -8.843 -4.546 -29.881 1.00 13.88 C ATOM 1692 O SER B 71 -8.902 -3.322 -29.692 1.00 13.96 O ATOM 1693 CB SER B 71 -10.529 -5.861 -31.157 1.00 18.05 C ATOM 1694 OG SER B 71 -10.540 -4.779 -32.061 1.00 22.14 O ATOM 1695 HG SER B 71 -9.630 -4.395 -32.125 1.00 0.00 H ATOM 1696 H SER B 71 -10.979 -3.574 -29.050 1.00 0.00 H ATOM 1697 N GLY B 72 -7.714 -5.191 -30.146 1.00 14.48 N ATOM 1698 CA GLY B 72 -6.487 -4.459 -30.422 1.00 13.42 C ATOM 1699 C GLY B 72 -5.944 -3.882 -29.141 1.00 11.07 C ATOM 1700 O GLY B 72 -5.420 -4.601 -28.288 1.00 12.83 O ATOM 1701 H GLY B 72 -7.706 -6.231 -30.157 1.00 0.00 H ATOM 1702 N THR B 73 -6.089 -2.570 -28.996 1.00 11.65 N ATOM 1703 CA THR B 73 -5.615 -1.928 -27.781 1.00 10.88 C ATOM 1704 C THR B 73 -6.725 -1.352 -26.921 1.00 14.77 C ATOM 1705 O THR B 73 -6.468 -0.913 -25.808 1.00 17.24 O ATOM 1706 CB THR B 73 -4.618 -0.793 -28.087 1.00 12.15 C ATOM 1707 OG1 THR B 73 -5.241 0.192 -28.937 1.00 14.33 O ATOM 1708 CG2 THR B 73 -3.343 -1.340 -28.749 1.00 13.29 C ATOM 1709 HG1 THR B 73 -6.034 0.568 -28.478 1.00 0.00 H ATOM 1710 H THR B 73 -6.538 -2.006 -29.746 1.00 0.00 H ATOM 1711 N ASP B 74 -7.959 -1.341 -27.406 1.00 12.39 N ATOM 1712 CA ASP B 74 -8.997 -0.631 -26.664 1.00 11.16 C ATOM 1713 C ASP B 74 -10.142 -1.552 -26.285 1.00 11.73 C ATOM 1714 O ASP B 74 -10.767 -2.161 -27.161 1.00 11.66 O ATOM 1715 CB ASP B 74 -9.526 0.558 -27.482 1.00 15.51 C ATOM 1716 CG ASP B 74 -8.495 1.694 -27.630 1.00 23.29 C ATOM 1717 OD1 ASP B 74 -7.309 1.528 -27.269 1.00 26.75 O ATOM 1718 OD2 ASP B 74 -8.869 2.765 -28.152 1.00 27.79 O ATOM 1719 H ASP B 74 -8.183 -1.828 -28.297 1.00 0.00 H ATOM 1720 N PHE B 75 -10.406 -1.632 -24.979 1.00 10.31 N ATOM 1721 CA PHE B 75 -11.390 -2.560 -24.412 1.00 9.82 C ATOM 1722 C PHE B 75 -12.288 -1.895 -23.400 1.00 9.46 C ATOM 1723 O PHE B 75 -11.895 -0.942 -22.725 1.00 10.29 O ATOM 1724 CB PHE B 75 -10.670 -3.762 -23.767 1.00 8.95 C ATOM 1725 CG PHE B 75 -9.845 -4.518 -24.749 1.00 9.49 C ATOM 1726 CD1 PHE B 75 -8.536 -4.127 -25.020 1.00 11.06 C ATOM 1727 CD2 PHE B 75 -10.398 -5.582 -25.468 1.00 10.07 C ATOM 1728 CE1 PHE B 75 -7.794 -4.793 -25.981 1.00 12.69 C ATOM 1729 CE2 PHE B 75 -9.654 -6.251 -26.425 1.00 11.67 C ATOM 1730 CZ PHE B 75 -8.348 -5.866 -26.671 1.00 13.27 C ATOM 1731 H PHE B 75 -9.888 -1.005 -24.331 1.00 0.00 H ATOM 1732 N THR B 76 -13.512 -2.397 -23.305 1.00 9.25 N ATOM 1733 CA THR B 76 -14.432 -1.866 -22.323 1.00 9.33 C ATOM 1734 C THR B 76 -15.227 -2.979 -21.667 1.00 11.73 C ATOM 1735 O THR B 76 -15.557 -3.994 -22.298 1.00 12.62 O ATOM 1736 CB THR B 76 -15.425 -0.858 -22.934 1.00 13.78 C ATOM 1737 OG1 THR B 76 -16.141 -1.471 -24.006 1.00 16.91 O ATOM 1738 CG2 THR B 76 -14.703 0.393 -23.454 1.00 13.11 C ATOM 1739 HG1 THR B 76 -16.640 -2.255 -23.663 1.00 0.00 H ATOM 1740 H THR B 76 -13.809 -3.170 -23.934 1.00 0.00 H ATOM 1741 N LEU B 77 -15.521 -2.763 -20.395 1.00 9.20 N ATOM 1742 CA LEU B 77 -16.419 -3.587 -19.609 1.00 9.24 C ATOM 1743 C LEU B 77 -17.690 -2.764 -19.361 1.00 10.26 C ATOM 1744 O LEU B 77 -17.605 -1.638 -18.885 1.00 11.52 O ATOM 1745 CB LEU B 77 -15.767 -3.984 -18.269 1.00 9.00 C ATOM 1746 CG LEU B 77 -16.667 -4.764 -17.297 1.00 11.99 C ATOM 1747 CD1 LEU B 77 -16.841 -6.211 -17.762 1.00 12.62 C ATOM 1748 CD2 LEU B 77 -16.124 -4.717 -15.863 1.00 11.76 C ATOM 1749 H LEU B 77 -15.078 -1.947 -19.927 1.00 0.00 H ATOM 1750 N ASN B 78 -18.854 -3.318 -19.688 1.00 10.05 N ATOM 1751 CA ASN B 78 -20.131 -2.634 -19.485 1.00 10.64 C ATOM 1752 C ASN B 78 -20.935 -3.375 -18.437 1.00 11.67 C ATOM 1753 O ASN B 78 -20.945 -4.611 -18.431 1.00 11.92 O ATOM 1754 CB ASN B 78 -20.891 -2.560 -20.814 1.00 10.99 C ATOM 1755 CG ASN B 78 -22.208 -1.816 -20.706 1.00 11.69 C ATOM 1756 OD1 ASN B 78 -23.259 -2.420 -20.519 1.00 14.35 O ATOM 1757 ND2 ASN B 78 -22.156 -0.496 -20.836 1.00 13.85 N ATOM 1758 HD22 ASN B 78 -21.242 -0.025 -20.994 1.00 0.00 H ATOM 1759 HD21 ASN B 78 -23.029 0.067 -20.780 1.00 0.00 H ATOM 1760 H ASN B 78 -18.856 -4.272 -20.103 1.00 0.00 H ATOM 1761 N ILE B 79 -21.579 -2.632 -17.544 1.00 11.36 N ATOM 1762 CA ILE B 79 -22.459 -3.201 -16.535 1.00 11.80 C ATOM 1763 C ILE B 79 -23.824 -2.572 -16.736 1.00 12.61 C ATOM 1764 O ILE B 79 -23.942 -1.344 -16.733 1.00 12.90 O ATOM 1765 CB ILE B 79 -21.955 -2.938 -15.114 1.00 11.82 C ATOM 1766 CG1 ILE B 79 -20.478 -3.340 -15.016 1.00 11.07 C ATOM 1767 CG2 ILE B 79 -22.775 -3.715 -14.101 1.00 14.53 C ATOM 1768 CD1 ILE B 79 -19.852 -2.961 -13.667 1.00 12.53 C ATOM 1769 H ILE B 79 -21.449 -1.600 -17.567 1.00 0.00 H ATOM 1770 N HIS B 80 -24.851 -3.409 -16.893 1.00 13.06 N ATOM 1771 CA HIS B 80 -26.159 -2.952 -17.385 1.00 15.36 C ATOM 1772 C HIS B 80 -27.254 -3.893 -16.889 1.00 16.44 C ATOM 1773 O HIS B 80 -27.392 -5.001 -17.396 1.00 18.37 O ATOM 1774 CB HIS B 80 -26.139 -2.896 -18.923 1.00 13.73 C ATOM 1775 CG HIS B 80 -27.444 -2.506 -19.552 1.00 19.27 C ATOM 1776 ND1 HIS B 80 -27.705 -2.697 -20.894 1.00 18.86 N ATOM 1777 CD2 HIS B 80 -28.542 -1.907 -19.034 1.00 19.93 C ATOM 1778 CE1 HIS B 80 -28.918 -2.248 -21.171 1.00 21.30 C ATOM 1779 NE2 HIS B 80 -29.450 -1.768 -20.059 1.00 20.94 N ATOM 1780 H HIS B 80 -24.723 -4.415 -16.660 1.00 0.00 H ATOM 1781 N PRO B 81 -28.008 -3.485 -15.853 1.00 15.79 N ATOM 1782 CA PRO B 81 -27.827 -2.295 -15.020 1.00 16.93 C ATOM 1783 C PRO B 81 -26.861 -2.578 -13.887 1.00 18.29 C ATOM 1784 O PRO B 81 -26.610 -3.746 -13.577 1.00 18.10 O ATOM 1785 CB PRO B 81 -29.223 -2.051 -14.462 1.00 18.52 C ATOM 1786 CG PRO B 81 -29.746 -3.436 -14.293 1.00 18.52 C ATOM 1787 CD PRO B 81 -29.216 -4.230 -15.455 1.00 16.66 C ATOM 1788 N VAL B 82 -26.350 -1.520 -13.268 1.00 17.46 N ATOM 1789 CA VAL B 82 -25.539 -1.665 -12.071 1.00 15.44 C ATOM 1790 C VAL B 82 -26.451 -1.998 -10.871 1.00 15.87 C ATOM 1791 O VAL B 82 -27.541 -1.440 -10.712 1.00 17.84 O ATOM 1792 CB VAL B 82 -24.729 -0.391 -11.793 1.00 20.19 C ATOM 1793 CG1 VAL B 82 -24.040 -0.493 -10.463 1.00 24.25 C ATOM 1794 CG2 VAL B 82 -23.706 -0.153 -12.898 1.00 17.09 C ATOM 1795 H VAL B 82 -26.534 -0.569 -13.647 1.00 0.00 H ATOM 1796 N GLU B 83 -26.007 -2.949 -10.057 1.00 15.69 N ATOM 1797 CA GLU B 83 -26.699 -3.333 -8.836 1.00 18.58 C ATOM 1798 C GLU B 83 -25.806 -3.128 -7.613 1.00 16.61 C ATOM 1799 O GLU B 83 -24.591 -2.981 -7.751 1.00 16.72 O ATOM 1800 CB GLU B 83 -27.152 -4.793 -8.920 1.00 20.82 C ATOM 1801 CG GLU B 83 -28.050 -5.118 -10.120 1.00 23.29 C ATOM 1802 CD GLU B 83 -29.443 -4.494 -10.050 1.00 27.05 C ATOM 1803 OE1 GLU B 83 -29.867 -4.049 -8.958 1.00 27.71 O ATOM 1804 OE2 GLU B 83 -30.123 -4.443 -11.102 1.00 28.88 O ATOM 1805 H GLU B 83 -25.125 -3.441 -10.304 1.00 0.00 H ATOM 1806 N GLU B 84 -26.408 -3.137 -6.424 1.00 17.93 N ATOM 1807 CA GLU B 84 -25.679 -2.891 -5.176 1.00 20.65 C ATOM 1808 C GLU B 84 -24.448 -3.782 -5.025 1.00 20.07 C ATOM 1809 O GLU B 84 -23.386 -3.325 -4.581 1.00 19.31 O ATOM 1810 CB GLU B 84 -26.599 -3.092 -3.967 1.00 22.18 C ATOM 1811 CG GLU B 84 -27.684 -2.045 -3.828 1.00 29.62 C ATOM 1812 CD GLU B 84 -27.147 -0.692 -3.376 1.00 34.04 C ATOM 1813 OE1 GLU B 84 -25.980 -0.629 -2.922 1.00 35.58 O ATOM 1814 OE2 GLU B 84 -27.895 0.307 -3.478 1.00 35.83 O ATOM 1815 H GLU B 84 -27.430 -3.325 -6.380 1.00 0.00 H ATOM 1816 N GLU B 85 -24.576 -5.043 -5.424 1.00 17.59 N ATOM 1817 CA GLU B 85 -23.516 -6.017 -5.192 1.00 18.57 C ATOM 1818 C GLU B 85 -22.322 -5.797 -6.119 1.00 17.99 C ATOM 1819 O GLU B 85 -21.310 -6.484 -6.024 1.00 18.01 O ATOM 1820 CB GLU B 85 -24.054 -7.445 -5.348 1.00 18.39 C ATOM 1821 CG GLU B 85 -24.590 -7.800 -6.727 1.00 19.33 C ATOM 1822 CD GLU B 85 -26.106 -7.661 -6.840 1.00 26.11 C ATOM 1823 OE1 GLU B 85 -26.683 -8.347 -7.710 1.00 28.83 O ATOM 1824 OE2 GLU B 85 -26.724 -6.859 -6.093 1.00 29.57 O ATOM 1825 H GLU B 85 -25.446 -5.340 -5.910 1.00 0.00 H ATOM 1826 N ASP B 86 -22.435 -4.822 -7.015 1.00 16.37 N ATOM 1827 CA ASP B 86 -21.368 -4.557 -7.979 1.00 15.27 C ATOM 1828 C ASP B 86 -20.267 -3.660 -7.432 1.00 14.92 C ATOM 1829 O ASP B 86 -19.239 -3.460 -8.097 1.00 15.19 O ATOM 1830 CB ASP B 86 -21.944 -3.920 -9.233 1.00 15.70 C ATOM 1831 CG ASP B 86 -22.857 -4.850 -10.000 1.00 15.97 C ATOM 1832 OD1 ASP B 86 -22.785 -6.088 -9.808 1.00 16.01 O ATOM 1833 OD2 ASP B 86 -23.630 -4.333 -10.843 1.00 15.05 O ATOM 1834 H ASP B 86 -23.296 -4.238 -7.031 1.00 0.00 H ATOM 1835 N ALA B 87 -20.476 -3.109 -6.245 1.00 14.67 N ATOM 1836 CA ALA B 87 -19.448 -2.310 -5.599 1.00 15.99 C ATOM 1837 C ALA B 87 -18.226 -3.189 -5.419 1.00 16.17 C ATOM 1838 O ALA B 87 -18.288 -4.211 -4.722 1.00 18.18 O ATOM 1839 CB ALA B 87 -19.935 -1.767 -4.264 1.00 17.08 C ATOM 1840 H ALA B 87 -21.390 -3.250 -5.768 1.00 0.00 H ATOM 1841 N ALA B 88 -17.126 -2.807 -6.067 1.00 12.96 N ATOM 1842 CA ALA B 88 -15.948 -3.672 -6.144 1.00 13.01 C ATOM 1843 C ALA B 88 -14.866 -2.928 -6.891 1.00 14.40 C ATOM 1844 O ALA B 88 -15.111 -1.836 -7.397 1.00 14.45 O ATOM 1845 CB ALA B 88 -16.278 -4.972 -6.863 1.00 13.12 C ATOM 1846 H ALA B 88 -17.104 -1.875 -6.528 1.00 0.00 H ATOM 1847 N THR B 89 -13.678 -3.521 -6.966 1.00 13.10 N ATOM 1848 CA THR B 89 -12.648 -3.023 -7.871 1.00 13.21 C ATOM 1849 C THR B 89 -12.539 -3.973 -9.057 1.00 11.82 C ATOM 1850 O THR B 89 -12.549 -5.205 -8.909 1.00 13.43 O ATOM 1851 CB THR B 89 -11.288 -2.856 -7.149 1.00 12.91 C ATOM 1852 OG1 THR B 89 -11.421 -1.884 -6.103 1.00 16.77 O ATOM 1853 CG2 THR B 89 -10.218 -2.351 -8.094 1.00 12.70 C ATOM 1854 HG1 THR B 89 -12.105 -2.189 -5.455 1.00 0.00 H ATOM 1855 H THR B 89 -13.481 -4.351 -6.371 1.00 0.00 H ATOM 1856 N TYR B 90 -12.470 -3.390 -10.248 1.00 10.32 N ATOM 1857 CA TYR B 90 -12.439 -4.136 -11.485 1.00 9.95 C ATOM 1858 C TYR B 90 -11.072 -4.008 -12.115 1.00 9.95 C ATOM 1859 O TYR B 90 -10.515 -2.920 -12.162 1.00 10.63 O ATOM 1860 CB TYR B 90 -13.537 -3.635 -12.429 1.00 11.17 C ATOM 1861 CG TYR B 90 -14.902 -3.931 -11.870 1.00 10.05 C ATOM 1862 CD1 TYR B 90 -15.482 -3.087 -10.930 1.00 10.87 C ATOM 1863 CD2 TYR B 90 -15.595 -5.079 -12.246 1.00 9.64 C ATOM 1864 CE1 TYR B 90 -16.733 -3.378 -10.384 1.00 12.04 C ATOM 1865 CE2 TYR B 90 -16.847 -5.374 -11.703 1.00 11.87 C ATOM 1866 CZ TYR B 90 -17.404 -4.517 -10.781 1.00 11.25 C ATOM 1867 OH TYR B 90 -18.633 -4.791 -10.241 1.00 13.04 O ATOM 1868 HH TYR B 90 -18.878 -4.076 -9.602 1.00 0.00 H ATOM 1869 H TYR B 90 -12.437 -2.351 -10.292 1.00 0.00 H ATOM 1870 N TYR B 91 -10.530 -5.129 -12.572 1.00 9.80 N ATOM 1871 CA TYR B 91 -9.218 -5.151 -13.221 1.00 9.04 C ATOM 1872 C TYR B 91 -9.304 -5.736 -14.607 1.00 9.56 C ATOM 1873 O TYR B 91 -9.962 -6.764 -14.791 1.00 9.36 O ATOM 1874 CB TYR B 91 -8.213 -5.998 -12.438 1.00 10.50 C ATOM 1875 CG TYR B 91 -7.913 -5.487 -11.060 1.00 8.65 C ATOM 1876 CD1 TYR B 91 -6.886 -4.557 -10.852 1.00 10.15 C ATOM 1877 CD2 TYR B 91 -8.649 -5.918 -9.968 1.00 10.52 C ATOM 1878 CE1 TYR B 91 -6.629 -4.074 -9.593 1.00 11.41 C ATOM 1879 CE2 TYR B 91 -8.384 -5.441 -8.698 1.00 14.05 C ATOM 1880 CZ TYR B 91 -7.366 -4.528 -8.521 1.00 13.41 C ATOM 1881 OH TYR B 91 -7.091 -4.055 -7.259 1.00 16.73 O ATOM 1882 HH TYR B 91 -6.339 -3.413 -7.305 1.00 0.00 H ATOM 1883 H TYR B 91 -11.054 -6.021 -12.466 1.00 0.00 H ATOM 1884 N CYS B 92 -8.629 -5.127 -15.580 1.00 8.84 N ATOM 1885 CA CYS B 92 -8.370 -5.846 -16.829 1.00 8.42 C ATOM 1886 C CYS B 92 -7.007 -6.559 -16.731 1.00 9.81 C ATOM 1887 O CYS B 92 -6.160 -6.179 -15.923 1.00 9.08 O ATOM 1888 CB CYS B 92 -8.433 -4.896 -18.024 1.00 8.58 C ATOM 1889 SG CYS B 92 -7.324 -3.472 -17.886 1.00 11.09 S ATOM 1890 H CYS B 92 -8.290 -4.152 -15.454 1.00 0.00 H ATOM 1891 N GLN B 93 -6.833 -7.618 -17.520 1.00 8.72 N ATOM 1892 CA GLN B 93 -5.597 -8.404 -17.554 1.00 8.50 C ATOM 1893 C GLN B 93 -5.386 -8.873 -18.965 1.00 9.83 C ATOM 1894 O GLN B 93 -6.320 -9.446 -19.540 1.00 10.47 O ATOM 1895 CB GLN B 93 -5.698 -9.622 -16.628 1.00 8.95 C ATOM 1896 CG GLN B 93 -4.429 -10.469 -16.648 1.00 8.81 C ATOM 1897 CD GLN B 93 -4.687 -11.925 -16.344 1.00 11.80 C ATOM 1898 OE1 GLN B 93 -5.734 -12.475 -16.698 1.00 10.37 O ATOM 1899 NE2 GLN B 93 -3.720 -12.573 -15.694 1.00 12.05 N ATOM 1900 HE22 GLN B 93 -2.854 -12.070 -15.415 1.00 0.00 H ATOM 1901 HE21 GLN B 93 -3.832 -13.582 -15.466 1.00 0.00 H ATOM 1902 H GLN B 93 -7.615 -7.902 -18.144 1.00 0.00 H ATOM 1903 N GLN B 94 -4.185 -8.694 -19.522 1.00 9.72 N ATOM 1904 CA GLN B 94 -3.912 -9.275 -20.843 1.00 10.37 C ATOM 1905 C GLN B 94 -3.094 -10.549 -20.695 1.00 9.79 C ATOM 1906 O GLN B 94 -2.204 -10.616 -19.851 1.00 10.70 O ATOM 1907 CB GLN B 94 -3.190 -8.278 -21.769 1.00 10.17 C ATOM 1908 CG GLN B 94 -1.749 -7.906 -21.392 1.00 10.19 C ATOM 1909 CD GLN B 94 -0.693 -8.942 -21.812 1.00 10.41 C ATOM 1910 OE1 GLN B 94 -0.896 -9.725 -22.755 1.00 11.29 O ATOM 1911 NE2 GLN B 94 0.446 -8.946 -21.112 1.00 11.08 N ATOM 1912 HE22 GLN B 94 0.578 -8.274 -20.329 1.00 0.00 H ATOM 1913 HE21 GLN B 94 1.200 -9.621 -21.350 1.00 0.00 H ATOM 1914 H GLN B 94 -3.451 -8.149 -19.026 1.00 0.00 H ATOM 1915 N THR B 95 -3.421 -11.551 -21.509 1.00 8.55 N ATOM 1916 CA THR B 95 -2.703 -12.832 -21.496 1.00 8.83 C ATOM 1917 C THR B 95 -2.217 -13.196 -22.891 1.00 12.82 C ATOM 1918 O THR B 95 -2.030 -14.376 -23.221 1.00 15.35 O ATOM 1919 CB THR B 95 -3.598 -13.949 -20.966 1.00 10.26 C ATOM 1920 OG1 THR B 95 -4.762 -14.018 -21.794 1.00 12.39 O ATOM 1921 CG2 THR B 95 -3.991 -13.686 -19.520 1.00 9.63 C ATOM 1922 HG1 THR B 95 -5.357 -14.738 -21.466 1.00 0.00 H ATOM 1923 H THR B 95 -4.210 -11.422 -22.175 1.00 0.00 H ATOM 1924 N ASN B 96 -2.016 -12.170 -23.716 1.00 11.04 N ATOM 1925 CA ASN B 96 -1.472 -12.353 -25.057 1.00 12.74 C ATOM 1926 C ASN B 96 0.040 -12.538 -25.085 1.00 14.12 C ATOM 1927 O ASN B 96 0.555 -13.279 -25.918 1.00 18.17 O ATOM 1928 CB ASN B 96 -1.834 -11.166 -25.938 1.00 11.72 C ATOM 1929 CG ASN B 96 -1.488 -11.397 -27.397 1.00 14.98 C ATOM 1930 OD1 ASN B 96 -1.731 -12.471 -27.928 1.00 18.34 O ATOM 1931 ND2 ASN B 96 -0.906 -10.391 -28.049 1.00 17.36 N ATOM 1932 HD22 ASN B 96 -0.717 -9.493 -27.559 1.00 0.00 H ATOM 1933 HD21 ASN B 96 -0.640 -10.503 -29.048 1.00 0.00 H ATOM 1934 H ASN B 96 -2.254 -11.210 -23.395 1.00 0.00 H ATOM 1935 N GLU B 97 0.748 -11.848 -24.199 1.00 12.57 N ATOM 1936 CA GLU B 97 2.213 -11.840 -24.243 1.00 14.75 C ATOM 1937 C GLU B 97 2.749 -11.984 -22.823 1.00 14.24 C ATOM 1938 O GLU B 97 2.168 -11.441 -21.883 1.00 14.45 O ATOM 1939 CB GLU B 97 2.732 -10.546 -24.901 1.00 18.56 C ATOM 1940 CG GLU B 97 4.228 -10.326 -24.725 1.00 27.77 C ATOM 1941 CD GLU B 97 4.694 -8.948 -25.164 1.00 32.32 C ATOM 1942 OE1 GLU B 97 4.909 -8.728 -26.377 1.00 36.07 O ATOM 1943 OE2 GLU B 97 4.842 -8.078 -24.280 1.00 31.79 O ATOM 1944 H GLU B 97 0.255 -11.304 -23.462 1.00 0.00 H ATOM 1945 N ASP B 98 3.832 -12.738 -22.654 1.00 14.00 N ATOM 1946 CA ASP B 98 4.465 -12.868 -21.342 1.00 13.86 C ATOM 1947 C ASP B 98 5.335 -11.636 -21.103 1.00 13.31 C ATOM 1948 O ASP B 98 6.037 -11.205 -22.009 1.00 16.18 O ATOM 1949 CB ASP B 98 5.351 -14.112 -21.245 1.00 12.42 C ATOM 1950 CG ASP B 98 4.588 -15.413 -21.393 1.00 14.22 C ATOM 1951 OD1 ASP B 98 3.349 -15.421 -21.219 1.00 14.82 O ATOM 1952 OD2 ASP B 98 5.262 -16.423 -21.693 1.00 14.81 O ATOM 1953 H ASP B 98 4.235 -13.243 -23.469 1.00 0.00 H ATOM 1954 N PRO B 99 5.314 -11.082 -19.882 1.00 13.12 N ATOM 1955 CA PRO B 99 4.494 -11.501 -18.748 1.00 12.32 C ATOM 1956 C PRO B 99 3.072 -10.980 -18.850 1.00 9.95 C ATOM 1957 O PRO B 99 2.859 -9.855 -19.352 1.00 11.14 O ATOM 1958 CB PRO B 99 5.208 -10.878 -17.551 1.00 12.67 C ATOM 1959 CG PRO B 99 5.812 -9.606 -18.108 1.00 14.70 C ATOM 1960 CD PRO B 99 6.191 -9.943 -19.544 1.00 14.14 C ATOM 1961 N TYR B 100 2.115 -11.772 -18.378 1.00 9.22 N ATOM 1962 CA TYR B 100 0.763 -11.248 -18.278 1.00 9.62 C ATOM 1963 C TYR B 100 0.825 -10.010 -17.425 1.00 11.00 C ATOM 1964 O TYR B 100 1.633 -9.940 -16.489 1.00 11.98 O ATOM 1965 CB TYR B 100 -0.204 -12.232 -17.630 1.00 12.02 C ATOM 1966 CG TYR B 100 -0.291 -13.602 -18.263 1.00 10.76 C ATOM 1967 CD1 TYR B 100 0.251 -13.874 -19.518 1.00 11.14 C ATOM 1968 CD2 TYR B 100 -0.927 -14.635 -17.581 1.00 9.78 C ATOM 1969 CE1 TYR B 100 0.153 -15.156 -20.074 1.00 11.95 C ATOM 1970 CE2 TYR B 100 -1.013 -15.907 -18.124 1.00 9.24 C ATOM 1971 CZ TYR B 100 -0.482 -16.159 -19.367 1.00 11.15 C ATOM 1972 OH TYR B 100 -0.568 -17.439 -19.886 1.00 12.53 O ATOM 1973 HH TYR B 100 -0.144 -17.460 -20.780 1.00 0.00 H ATOM 1974 H TYR B 100 2.329 -12.747 -18.086 1.00 0.00 H ATOM 1975 N THR B 101 -0.062 -9.058 -17.714 1.00 11.56 N ATOM 1976 CA THR B 101 -0.093 -7.814 -16.953 1.00 9.12 C ATOM 1977 C THR B 101 -1.516 -7.415 -16.652 1.00 9.47 C ATOM 1978 O THR B 101 -2.446 -7.810 -17.353 1.00 10.54 O ATOM 1979 CB THR B 101 0.627 -6.662 -17.703 1.00 11.39 C ATOM 1980 OG1 THR B 101 0.159 -6.602 -19.055 1.00 12.38 O ATOM 1981 CG2 THR B 101 2.151 -6.885 -17.729 1.00 9.82 C ATOM 1982 HG1 THR B 101 0.620 -5.866 -19.530 1.00 0.00 H ATOM 1983 H THR B 101 -0.739 -9.204 -18.490 1.00 0.00 H ATOM 1984 N PHE B 102 -1.661 -6.636 -15.587 1.00 8.96 N ATOM 1985 CA PHE B 102 -2.948 -6.180 -15.098 1.00 9.41 C ATOM 1986 C PHE B 102 -3.033 -4.672 -15.181 1.00 8.72 C ATOM 1987 O PHE B 102 -2.033 -3.964 -15.027 1.00 10.21 O ATOM 1988 CB PHE B 102 -3.153 -6.599 -13.638 1.00 9.48 C ATOM 1989 CG PHE B 102 -3.304 -8.082 -13.429 1.00 10.62 C ATOM 1990 CD1 PHE B 102 -2.179 -8.879 -13.290 1.00 10.81 C ATOM 1991 CD2 PHE B 102 -4.563 -8.655 -13.291 1.00 11.34 C ATOM 1992 CE1 PHE B 102 -2.292 -10.247 -13.067 1.00 10.22 C ATOM 1993 CE2 PHE B 102 -4.693 -10.014 -13.060 1.00 10.78 C ATOM 1994 CZ PHE B 102 -3.543 -10.815 -12.952 1.00 10.67 C ATOM 1995 H PHE B 102 -0.806 -6.337 -15.076 1.00 0.00 H ATOM 1996 N GLY B 103 -4.257 -4.186 -15.373 1.00 9.89 N ATOM 1997 CA GLY B 103 -4.544 -2.771 -15.212 1.00 10.89 C ATOM 1998 C GLY B 103 -4.485 -2.391 -13.750 1.00 10.78 C ATOM 1999 O GLY B 103 -4.438 -3.256 -12.877 1.00 11.65 O ATOM 2000 H GLY B 103 -5.025 -4.833 -15.644 1.00 0.00 H ATOM 2001 N GLY B 104 -4.465 -1.088 -13.479 1.00 11.05 N ATOM 2002 CA GLY B 104 -4.347 -0.597 -12.119 1.00 10.62 C ATOM 2003 C GLY B 104 -5.613 -0.632 -11.280 1.00 13.44 C ATOM 2004 O GLY B 104 -5.583 -0.320 -10.085 1.00 16.40 O ATOM 2005 H GLY B 104 -4.536 -0.406 -14.261 1.00 0.00 H ATOM 2006 N GLY B 105 -6.724 -1.020 -11.894 1.00 11.50 N ATOM 2007 CA GLY B 105 -7.972 -1.130 -11.155 1.00 11.94 C ATOM 2008 C GLY B 105 -8.899 0.059 -11.282 1.00 11.50 C ATOM 2009 O GLY B 105 -8.467 1.204 -11.399 1.00 14.67 O ATOM 2010 H GLY B 105 -6.702 -1.247 -12.909 1.00 0.00 H ATOM 2011 N THR B 106 -10.189 -0.232 -11.226 1.00 11.30 N ATOM 2012 CA THR B 106 -11.215 0.808 -11.189 1.00 11.17 C ATOM 2013 C THR B 106 -12.176 0.492 -10.054 1.00 11.37 C ATOM 2014 O THR B 106 -12.813 -0.555 -10.077 1.00 12.35 O ATOM 2015 CB THR B 106 -12.007 0.866 -12.503 1.00 11.53 C ATOM 2016 OG1 THR B 106 -11.155 1.291 -13.570 1.00 13.04 O ATOM 2017 CG2 THR B 106 -13.185 1.845 -12.367 1.00 12.49 C ATOM 2018 HG1 THR B 106 -10.796 2.191 -13.366 1.00 0.00 H ATOM 2019 H THR B 106 -10.481 -1.230 -11.208 1.00 0.00 H ATOM 2020 N LYS B 107 -12.291 1.382 -9.072 1.00 11.91 N ATOM 2021 CA LYS B 107 -13.155 1.099 -7.931 1.00 12.86 C ATOM 2022 C LYS B 107 -14.524 1.673 -8.215 1.00 14.18 C ATOM 2023 O LYS B 107 -14.664 2.870 -8.460 1.00 15.21 O ATOM 2024 CB LYS B 107 -12.601 1.675 -6.626 1.00 15.41 C ATOM 2025 CG LYS B 107 -13.431 1.250 -5.423 1.00 19.54 C ATOM 2026 CD LYS B 107 -12.884 1.788 -4.110 1.00 26.28 C ATOM 2027 CE LYS B 107 -13.726 1.294 -2.942 1.00 31.65 C ATOM 2028 NZ LYS B 107 -13.491 2.092 -1.703 1.00 35.88 N ATOM 2029 HZ1 LYS B 107 -12.489 2.023 -1.433 1.00 0.00 H ATOM 2030 HZ2 LYS B 107 -13.736 3.087 -1.881 1.00 0.00 H ATOM 2031 HZ3 LYS B 107 -14.085 1.720 -0.935 1.00 0.00 H ATOM 2032 H LYS B 107 -11.766 2.278 -9.118 1.00 0.00 H ATOM 2033 N LEU B 108 -15.530 0.808 -8.195 1.00 13.43 N ATOM 2034 CA LEU B 108 -16.899 1.215 -8.476 1.00 15.57 C ATOM 2035 C LEU B 108 -17.684 1.297 -7.182 1.00 17.76 C ATOM 2036 O LEU B 108 -17.666 0.356 -6.386 1.00 17.13 O ATOM 2037 CB LEU B 108 -17.561 0.228 -9.442 1.00 16.46 C ATOM 2038 CG LEU B 108 -19.056 0.410 -9.706 1.00 18.86 C ATOM 2039 CD1 LEU B 108 -19.333 1.749 -10.349 1.00 20.80 C ATOM 2040 CD2 LEU B 108 -19.561 -0.718 -10.592 1.00 19.87 C ATOM 2041 H LEU B 108 -15.335 -0.189 -7.972 1.00 0.00 H ATOM 2042 N GLU B 109 -18.337 2.434 -6.963 1.00 17.17 N ATOM 2043 CA GLU B 109 -19.234 2.601 -5.819 1.00 21.34 C ATOM 2044 C GLU B 109 -20.640 2.863 -6.313 1.00 21.58 C ATOM 2045 O GLU B 109 -20.822 3.366 -7.419 1.00 19.81 O ATOM 2046 CB GLU B 109 -18.781 3.750 -4.917 1.00 26.87 C ATOM 2047 CG GLU B 109 -17.417 3.541 -4.305 1.00 31.88 C ATOM 2048 CD GLU B 109 -17.016 4.675 -3.392 1.00 38.30 C ATOM 2049 OE1 GLU B 109 -17.639 5.758 -3.492 1.00 40.43 O ATOM 2050 OE2 GLU B 109 -16.083 4.480 -2.577 1.00 39.85 O ATOM 2051 H GLU B 109 -18.207 3.227 -7.623 1.00 0.00 H ATOM 2052 N ILE B 110 -21.627 2.521 -5.489 1.00 25.00 N ATOM 2053 CA ILE B 110 -23.029 2.795 -5.802 1.00 29.39 C ATOM 2054 C ILE B 110 -23.489 4.019 -5.039 1.00 31.08 C ATOM 2055 O ILE B 110 -23.113 4.217 -3.885 1.00 31.65 O ATOM 2056 CB ILE B 110 -23.956 1.615 -5.433 1.00 33.92 C ATOM 2057 CG1 ILE B 110 -23.315 0.280 -5.787 1.00 35.78 C ATOM 2058 CG2 ILE B 110 -25.330 1.772 -6.098 1.00 34.38 C ATOM 2059 CD1 ILE B 110 -22.987 0.139 -7.236 1.00 36.04 C ATOM 2060 H ILE B 110 -21.394 2.044 -4.595 1.00 0.00 H ATOM 2061 N LYS B 111 -24.300 4.845 -5.685 1.00 32.11 N ATOM 2062 CA LYS B 111 -24.891 5.994 -5.007 1.00 35.93 C ATOM 2063 C LYS B 111 -26.413 6.008 -5.145 1.00 40.57 C ATOM 2064 O LYS B 111 -26.995 5.233 -5.913 1.00 41.55 O ATOM 2065 CB LYS B 111 -24.299 7.293 -5.550 1.00 35.24 C ATOM 2066 CG LYS B 111 -24.450 7.461 -7.040 1.00 35.53 C ATOM 2067 CD LYS B 111 -23.922 8.806 -7.509 1.00 36.91 C ATOM 2068 CE LYS B 111 -23.986 8.894 -9.023 1.00 38.39 C ATOM 2069 NZ LYS B 111 -23.487 10.194 -9.541 1.00 42.04 N ATOM 2070 HZ1 LYS B 111 -24.065 10.966 -9.151 1.00 0.00 H ATOM 2071 HZ2 LYS B 111 -22.495 10.322 -9.255 1.00 0.00 H ATOM 2072 HZ3 LYS B 111 -23.553 10.201 -10.579 1.00 0.00 H ATOM 2073 H LYS B 111 -24.518 4.672 -6.687 1.00 0.00 H TER 2074 LYS B 111 HETATM 2075 O HOH 1 -3.603 -21.979 -17.475 1.00 9.33 O HETATM 2076 O HOH 2 -4.039 -4.010 -5.194 1.00 25.18 O HETATM 2077 O HOH 3 7.562 -13.363 -18.544 1.00 18.09 O HETATM 2078 O HOH 4 0.663 -6.373 -13.807 1.00 14.46 O HETATM 2079 O HOH 5 -3.463 -27.398 -13.060 1.00 13.53 O HETATM 2080 O HOH 6 11.141 -25.349 -10.749 1.00 18.05 O HETATM 2081 O HOH 7 -9.153 -34.528 -17.510 1.00 19.49 O HETATM 2082 O HOH 8 13.300 -26.183 -9.299 1.00 24.00 O HETATM 2083 O HOH 9 1.579 -8.065 3.594 1.00 20.29 O HETATM 2084 O HOH 10 4.834 -9.279 -13.392 1.00 19.00 O HETATM 2085 O HOH 11 8.307 -28.958 -10.168 1.00 19.17 O HETATM 2086 O HOH 12 4.227 -23.660 -8.580 1.00 13.21 O HETATM 2087 O HOH 13 8.856 -24.226 -5.051 1.00 18.32 O HETATM 2088 O HOH 14 1.890 -20.430 3.499 1.00 20.78 O HETATM 2089 O HOH 15 -3.421 -34.096 -18.862 1.00 23.62 O HETATM 2090 O HOH 16 -0.142 -20.243 -1.198 1.00 14.01 O HETATM 2091 O HOH 17 -2.200 -25.899 0.292 1.00 20.70 O HETATM 2092 O HOH 18 10.025 -27.451 -11.960 1.00 18.74 O HETATM 2093 O HOH 19 4.718 -26.545 -21.113 1.00 25.09 O HETATM 2094 O HOH 20 6.621 -7.051 -6.902 1.00 22.95 O HETATM 2095 O HOH 21 -0.122 -6.981 1.828 1.00 29.20 O HETATM 2096 O HOH 22 -10.538 -22.237 -5.464 1.00 20.29 O HETATM 2097 O HOH 23 -11.780 -16.101 -10.899 1.00 23.10 O HETATM 2098 O HOH 24 -11.953 -18.799 -8.474 1.00 22.69 O HETATM 2099 O HOH 25 2.334 -6.680 -6.376 1.00 20.40 O HETATM 2100 O HOH 26 10.153 -30.140 -8.472 1.00 30.04 O HETATM 2101 O HOH 27 7.758 -10.830 -4.270 1.00 19.88 O HETATM 2102 O HOH 28 13.136 -18.924 -4.698 1.00 26.01 O HETATM 2103 O HOH 29 13.273 -18.502 -10.946 1.00 25.18 O HETATM 2104 O HOH 30 11.108 -16.355 8.926 1.00 29.78 O HETATM 2105 O HOH 31 11.565 -24.667 -4.414 1.00 26.14 O HETATM 2106 O HOH 32 4.014 -32.534 -2.667 1.00 24.42 O HETATM 2107 O HOH 33 2.495 -4.442 -13.801 1.00 25.85 O HETATM 2108 O HOH 34 4.823 -5.042 -12.785 1.00 36.08 O HETATM 2109 O HOH 35 6.669 -7.910 -14.399 1.00 29.27 O HETATM 2110 O HOH 36 9.207 -8.544 -15.191 1.00 25.69 O HETATM 2111 O HOH 37 4.861 -21.782 -20.080 1.00 23.21 O HETATM 2112 O HOH 38 11.276 -20.389 -19.401 1.00 29.49 O HETATM 2113 O HOH 39 11.578 -17.729 -17.265 1.00 19.95 O HETATM 2114 O HOH 40 11.785 -24.903 -16.957 1.00 24.69 O HETATM 2115 O HOH 41 11.894 -22.975 -12.079 1.00 22.48 O HETATM 2116 O HOH 42 15.132 -24.825 -8.970 1.00 42.84 O HETATM 2117 O HOH 43 13.139 -26.194 -6.572 1.00 37.04 O HETATM 2118 O HOH 44 8.907 -28.475 -4.153 1.00 23.27 O HETATM 2119 O HOH 45 11.326 -21.882 2.163 1.00 34.90 O HETATM 2120 O HOH 46 15.650 -19.822 -0.370 1.00 46.97 O HETATM 2121 O HOH 47 16.664 -17.165 2.891 1.00 50.88 O HETATM 2122 O HOH 48 13.516 -17.182 9.793 1.00 34.93 O HETATM 2123 O HOH 49 10.093 -18.108 7.037 1.00 38.51 O HETATM 2124 O HOH 50 6.263 -21.353 6.239 1.00 32.73 O HETATM 2125 O HOH 51 4.274 -22.165 4.440 1.00 33.20 O HETATM 2126 O HOH 52 -3.935 -18.235 7.723 1.00 32.17 O HETATM 2127 O HOH 53 -4.443 -18.259 3.265 1.00 29.85 O HETATM 2128 O HOH 54 -9.939 -14.944 -0.013 1.00 40.52 O HETATM 2129 O HOH 55 -7.782 -12.766 -1.018 1.00 24.27 O HETATM 2130 O HOH 56 -5.373 -9.040 -1.755 1.00 31.69 O HETATM 2131 O HOH 57 -2.825 -7.281 -1.134 1.00 33.12 O HETATM 2132 O HOH 58 1.669 -5.677 0.857 1.00 35.84 O HETATM 2133 O HOH 59 3.151 -5.809 4.710 1.00 31.10 O HETATM 2134 O HOH 60 4.995 -6.673 6.060 1.00 27.96 O HETATM 2135 O HOH 61 5.678 -6.136 10.211 1.00 27.16 O HETATM 2136 O HOH 62 9.789 -1.693 0.474 1.00 46.59 O HETATM 2137 O HOH 63 1.429 -1.649 -1.302 1.00 25.81 O HETATM 2138 O HOH 64 8.980 -13.742 -22.704 1.00 28.90 O HETATM 2139 O HOH 65 -13.812 -32.789 -10.783 1.00 31.92 O HETATM 2140 O HOH 66 -12.142 -22.514 -7.511 1.00 38.70 O HETATM 2141 O HOH 67 -8.214 -28.296 -2.538 1.00 21.99 O HETATM 2142 O HOH 68 -0.752 -23.484 6.077 1.00 30.31 O HETATM 2143 O HOH 69 0.980 -12.914 7.382 1.00 25.54 O HETATM 2144 O HOH 70 3.534 -17.087 10.640 1.00 43.05 O HETATM 2145 O HOH 71 11.352 -5.582 7.364 1.00 39.45 O HETATM 2146 O HOH 72 16.307 -8.924 2.761 1.00 30.63 O HETATM 2147 O HOH 73 2.197 -26.436 2.815 1.00 39.41 O HETATM 2148 O HOH 74 -0.836 -30.190 -0.484 1.00 41.21 O HETATM 2149 O HOH 75 -2.699 -34.371 -12.261 1.00 27.38 O HETATM 2150 O HOH 76 11.278 -8.763 -4.989 1.00 35.05 O HETATM 2151 O HOH 77 5.331 -23.054 -17.694 1.00 23.21 O HETATM 2152 O HOH 78 -14.519 -26.727 -14.571 1.00 30.13 O HETATM 2153 O HOH 79 -9.735 -16.006 2.880 1.00 45.60 O HETATM 2154 O HOH 80 -7.853 -7.498 -0.936 1.00 44.73 O HETATM 2155 O HOH 81 -11.091 -18.258 -4.665 1.00 38.16 O HETATM 2156 O HOH 82 -9.856 -21.916 -1.576 1.00 36.29 O HETATM 2157 O HOH 83 -13.197 -30.046 -4.966 1.00 35.80 O HETATM 2158 O HOH 84 -3.171 -13.929 8.950 1.00 33.00 O HETATM 2159 O HOH 85 7.985 -22.297 4.589 1.00 30.17 O HETATM 2160 O HOH 86 4.612 -25.075 1.512 1.00 35.71 O HETATM 2161 O HOH 87 16.396 -14.007 8.982 1.00 37.95 O HETATM 2162 O HOH 88 15.600 -7.632 9.899 1.00 33.70 O HETATM 2163 O HOH 89 15.469 -5.708 8.393 1.00 41.14 O HETATM 2164 O HOH 90 12.141 -9.605 11.725 1.00 34.28 O HETATM 2165 O HOH 91 13.614 -5.158 3.438 1.00 36.21 O HETATM 2166 O HOH 92 14.123 -3.716 0.132 1.00 47.37 O HETATM 2167 O HOH 93 5.051 -4.897 0.105 1.00 31.14 O HETATM 2168 O HOH 94 14.226 -19.604 5.965 1.00 39.71 O HETATM 2169 O HOH 95 -2.435 -33.356 -1.637 1.00 30.15 O HETATM 2170 O HOH 96 -4.158 -33.958 -2.786 1.00 36.48 O HETATM 2171 O HOH 97 -6.052 -32.856 -3.809 1.00 26.27 O HETATM 2172 O HOH 98 -5.816 -36.169 -17.014 1.00 27.04 O HETATM 2173 O HOH 99 -5.933 -38.105 -15.635 1.00 37.13 O HETATM 2174 O HOH 100 2.211 -35.634 -15.668 1.00 29.50 O HETATM 2175 O HOH 101 12.394 -16.902 -19.745 1.00 41.56 O HETATM 2176 O HOH 102 9.610 -18.153 -23.372 1.00 51.94 O HETATM 2177 O HOH 103 12.315 -22.365 -16.650 1.00 30.90 O HETATM 2178 O HOH 104 14.597 -22.582 -11.221 1.00 35.45 O HETATM 2179 O HOH 105 14.504 -20.354 -9.697 1.00 33.93 O HETATM 2180 O HOH 106 18.609 -11.368 -6.115 1.00 39.25 O HETATM 2181 O HOH 107 14.417 -10.469 -6.300 1.00 33.08 O HETATM 2182 O HOH 108 14.252 -19.078 -13.598 1.00 44.09 O HETATM 2183 O HOH 109 5.149 -33.929 -10.555 1.00 37.89 O HETATM 2184 O HOH 110 4.879 -31.513 -11.376 1.00 34.67 O HETATM 2185 O HOH 111 -7.076 -32.415 -1.317 1.00 35.91 O HETATM 2186 O HOH 112 -15.287 -25.782 -11.057 1.00 39.73 O HETATM 2187 O HOH 113 6.256 -22.866 -23.811 1.00 41.11 O HETATM 2188 O HOH 114 6.583 -20.593 -22.204 1.00 37.60 O HETATM 2189 O HOH 115 11.883 -16.636 -22.656 1.00 45.96 O HETATM 2190 O HOH 116 9.202 -12.490 12.744 1.00 47.48 O HETATM 2191 O HOH 117 17.072 -9.543 0.216 1.00 42.31 O HETATM 2192 O HOH 118 7.771 -28.980 0.527 1.00 45.35 O HETATM 2193 O HOH 119 9.404 -7.618 -5.524 1.00 45.10 O HETATM 2194 O HOH 120 7.421 -30.953 -11.899 1.00 36.93 O HETATM 2195 O HOH 121 7.312 -33.389 -8.919 1.00 38.02 O HETATM 2196 O HOH 122 3.085 -36.936 -2.751 1.00 45.80 O HETATM 2197 O HOH 123 4.390 -34.967 -1.741 1.00 39.37 O HETATM 2198 O HOH 124 19.748 -18.262 4.228 1.00 47.80 O HETATM 2199 O HOH 125 19.585 -14.723 3.443 1.00 48.54 O HETATM 2200 O HOH 126 4.798 -39.155 -3.331 1.00 45.70 O HETATM 2201 O HOH 127 -15.882 -22.683 -15.733 1.00 38.27 O HETATM 2202 O HOH 128 -18.444 -25.177 -9.740 1.00 55.74 O HETATM 2203 O HOH 129 6.305 -23.150 8.489 1.00 42.32 O HETATM 2204 O HOH 130 13.033 -20.177 -15.887 1.00 50.68 O HETATM 2205 O HOH 131 -1.826 -35.078 -10.342 1.00 37.76 O HETATM 2206 O HOH 132 -4.992 -29.508 1.500 1.00 48.32 O HETATM 2207 O HOH 133 5.892 -17.775 9.247 1.00 42.04 O HETATM 2208 O HOH 134 2.908 -3.157 -10.809 1.00 45.28 O HETATM 2209 O HOH 135 14.032 -28.795 -10.481 1.00 39.02 O HETATM 2210 O HOH 136 -4.831 -14.771 3.343 1.00 51.51 O HETATM 2211 O HOH 137 -5.983 -13.620 1.786 1.00 39.56 O HETATM 2212 O HOH 138 7.693 -30.996 -3.769 1.00 41.14 O HETATM 2213 O HOH 139 -16.145 -24.736 -18.377 1.00 36.20 O HETATM 2214 O HOH 140 1.728 -28.976 0.696 1.00 38.44 O HETATM 2215 O HOH 141 -6.956 -15.359 2.878 1.00 43.79 O HETATM 2216 O HOH 142 -14.633 -7.967 -28.273 1.00 16.52 O HETATM 2217 O HOH 143 -8.276 -13.722 -22.781 1.00 14.02 O HETATM 2218 O HOH 144 3.759 -8.125 -21.277 1.00 15.99 O HETATM 2219 O HOH 145 2.328 -8.605 -14.295 1.00 13.32 O HETATM 2220 O HOH 146 -6.242 2.425 -12.375 1.00 16.27 O HETATM 2221 O HOH 147 -21.610 -17.544 -19.289 1.00 17.76 O HETATM 2222 O HOH 148 -13.253 -6.270 -23.197 1.00 11.88 O HETATM 2223 O HOH 149 -19.791 -9.917 -23.447 1.00 15.04 O HETATM 2224 O HOH 150 -21.943 -10.714 -21.757 1.00 17.29 O HETATM 2225 O HOH 151 -8.868 -4.666 -5.193 1.00 24.13 O HETATM 2226 O HOH 152 -8.337 2.963 -8.445 1.00 22.62 O HETATM 2227 O HOH 153 -15.647 -16.291 -12.004 1.00 16.00 O HETATM 2228 O HOH 154 -23.107 -16.630 -17.196 1.00 21.13 O HETATM 2229 O HOH 155 -23.557 -5.124 -20.277 1.00 15.49 O HETATM 2230 O HOH 156 -14.927 -10.515 -29.131 1.00 19.83 O HETATM 2231 O HOH 157 -2.770 -3.768 -10.653 1.00 19.69 O HETATM 2232 O HOH 158 -13.777 -10.890 -5.162 1.00 15.67 O HETATM 2233 O HOH 159 -19.218 -7.456 -27.238 1.00 13.40 O HETATM 2234 O HOH 160 -21.453 -8.220 -8.831 1.00 16.00 O HETATM 2235 O HOH 161 9.370 -12.216 -20.461 1.00 23.19 O HETATM 2236 O HOH 162 -20.357 -2.276 -26.926 1.00 20.48 O HETATM 2237 O HOH 163 -4.852 1.634 -14.697 1.00 13.05 O HETATM 2238 O HOH 164 -16.251 -10.687 -6.417 1.00 22.37 O HETATM 2239 O HOH 165 -0.132 -2.812 -16.781 1.00 18.98 O HETATM 2240 O HOH 166 1.409 -7.081 -29.226 1.00 24.95 O HETATM 2241 O HOH 167 -0.663 0.078 -15.339 1.00 25.35 O HETATM 2242 O HOH 168 -8.280 3.589 -20.251 1.00 22.09 O HETATM 2243 O HOH 169 -19.672 -11.371 -8.141 1.00 23.31 O HETATM 2244 O HOH 170 -0.274 -17.500 -22.383 1.00 25.45 O HETATM 2245 O HOH 171 -16.710 0.144 -3.927 1.00 24.48 O HETATM 2246 O HOH 172 -31.957 -0.433 -20.391 1.00 19.50 O HETATM 2247 O HOH 173 -29.359 -3.814 -6.305 1.00 21.17 O HETATM 2248 O HOH 174 -15.102 -2.088 -2.879 1.00 23.71 O HETATM 2249 O HOH 175 -11.577 -12.539 -28.475 1.00 21.16 O HETATM 2250 O HOH 176 -3.283 2.348 -25.984 1.00 26.62 O HETATM 2251 O HOH 177 -6.639 5.800 -20.928 1.00 25.85 O HETATM 2252 O HOH 178 -20.623 -14.630 -23.656 1.00 20.66 O HETATM 2253 O HOH 179 -29.623 3.035 -18.295 1.00 21.80 O HETATM 2254 O HOH 180 -11.194 1.517 -23.994 1.00 18.37 O HETATM 2255 O HOH 181 -4.249 5.368 -22.338 1.00 28.23 O HETATM 2256 O HOH 182 6.062 -5.857 -24.997 1.00 21.93 O HETATM 2257 O HOH 183 -12.976 -11.603 -30.731 1.00 29.21 O HETATM 2258 O HOH 184 -18.403 -2.595 -23.072 1.00 21.75 O HETATM 2259 O HOH 185 -18.569 0.826 -1.938 1.00 30.91 O HETATM 2260 O HOH 186 -5.460 3.243 -27.288 1.00 29.80 O HETATM 2261 O HOH 187 -22.041 -10.538 -10.007 1.00 23.17 O HETATM 2262 O HOH 188 8.471 -2.996 -20.612 1.00 16.70 O HETATM 2263 O HOH 189 3.661 -6.688 -27.808 1.00 21.09 O HETATM 2264 O HOH 190 6.289 -1.986 -18.871 1.00 28.00 O HETATM 2265 O HOH 191 4.061 -4.008 -18.051 1.00 33.14 O HETATM 2266 O HOH 192 2.266 -3.116 -16.312 1.00 28.53 O HETATM 2267 O HOH 193 -1.053 -2.123 -12.746 1.00 28.12 O HETATM 2268 O HOH 194 -1.519 1.734 -21.355 1.00 15.40 O HETATM 2269 O HOH 195 -2.744 3.257 -23.104 1.00 27.09 O HETATM 2270 O HOH 196 -2.545 2.893 -14.531 1.00 28.92 O HETATM 2271 O HOH 197 -6.720 4.891 -13.630 1.00 27.50 O HETATM 2272 O HOH 198 -0.842 2.824 -16.608 1.00 42.61 O HETATM 2273 O HOH 199 -4.994 3.700 -10.315 1.00 38.18 O HETATM 2274 O HOH 200 -9.800 8.883 -13.159 1.00 36.37 O HETATM 2275 O HOH 201 -11.165 8.630 -11.116 1.00 29.99 O HETATM 2276 O HOH 202 -7.561 0.679 -8.261 1.00 22.93 O HETATM 2277 O HOH 203 -6.984 -0.684 -5.853 1.00 41.04 O HETATM 2278 O HOH 204 -5.014 -2.083 -6.837 1.00 34.34 O HETATM 2279 O HOH 205 -3.555 -1.101 -8.677 1.00 31.36 O HETATM 2280 O HOH 206 -17.963 9.119 -10.317 1.00 27.91 O HETATM 2281 O HOH 207 -15.418 9.059 -12.157 1.00 29.40 O HETATM 2282 O HOH 208 -20.193 7.984 -12.816 1.00 33.22 O HETATM 2283 O HOH 209 0.784 0.716 -29.571 1.00 28.61 O HETATM 2284 O HOH 210 0.483 -3.015 -31.137 1.00 23.70 O HETATM 2285 O HOH 211 -2.233 -12.785 -35.344 1.00 35.18 O HETATM 2286 O HOH 212 -5.671 -11.094 -34.728 1.00 33.93 O HETATM 2287 O HOH 213 -8.086 -5.178 -33.610 1.00 31.22 O HETATM 2288 O HOH 214 -3.970 -6.131 -33.717 1.00 37.15 O HETATM 2289 O HOH 215 -4.488 -2.253 -32.240 1.00 29.11 O HETATM 2290 O HOH 216 -7.468 -0.813 -31.092 1.00 24.52 O HETATM 2291 O HOH 217 -11.477 -1.412 -29.697 1.00 29.35 O HETATM 2292 O HOH 218 -13.360 3.489 -24.947 1.00 34.48 O HETATM 2293 O HOH 219 7.988 -4.285 -27.563 1.00 27.19 O HETATM 2294 O HOH 220 -6.123 -16.835 -31.116 1.00 27.14 O HETATM 2295 O HOH 221 -13.395 -15.153 -28.400 1.00 27.83 O HETATM 2296 O HOH 222 -13.719 -14.586 -5.146 1.00 34.51 O HETATM 2297 O HOH 223 -11.885 -16.236 -7.444 1.00 30.85 O HETATM 2298 O HOH 224 -21.384 -9.523 -6.359 1.00 25.38 O HETATM 2299 O HOH 225 -20.162 -5.403 -3.052 1.00 24.75 O HETATM 2300 O HOH 226 -16.664 -4.493 -2.602 1.00 30.93 O HETATM 2301 O HOH 227 -12.660 -2.553 -3.684 1.00 25.30 O HETATM 2302 O HOH 228 -11.240 -4.803 -3.487 1.00 31.98 O HETATM 2303 O HOH 229 -14.700 -0.849 -0.434 1.00 38.09 O HETATM 2304 O HOH 230 -15.320 1.887 0.080 1.00 41.91 O HETATM 2305 O HOH 231 -21.111 1.343 -3.030 1.00 24.78 O HETATM 2306 O HOH 232 -30.993 5.092 -8.746 1.00 30.77 O HETATM 2307 O HOH 233 -18.127 -17.596 -11.757 1.00 22.29 O HETATM 2308 O HOH 234 -14.170 -18.305 -12.957 1.00 25.87 O HETATM 2309 O HOH 235 -19.512 -15.268 -26.074 1.00 43.42 O HETATM 2310 O HOH 236 -23.203 -17.016 -21.384 1.00 38.89 O HETATM 2311 O HOH 237 -22.259 -20.191 -19.347 1.00 31.52 O HETATM 2312 O HOH 238 -24.191 -18.505 -15.677 1.00 30.44 O HETATM 2313 O HOH 239 -24.908 -14.788 -21.923 1.00 33.33 O HETATM 2314 O HOH 240 -24.532 -9.931 -21.841 1.00 37.05 O HETATM 2315 O HOH 241 -25.637 -6.590 -21.265 1.00 34.18 O HETATM 2316 O HOH 242 -27.372 -10.002 -11.311 1.00 22.83 O HETATM 2317 O HOH 243 -25.501 -9.763 -9.167 1.00 32.92 O HETATM 2318 O HOH 244 -20.942 -9.279 -25.924 1.00 23.09 O HETATM 2319 O HOH 245 -31.204 -7.267 -7.197 1.00 34.84 O HETATM 2320 O HOH 246 4.951 -13.979 -24.981 1.00 22.55 O HETATM 2321 O HOH 247 12.131 -13.559 -19.862 1.00 31.39 O HETATM 2322 O HOH 248 8.315 -5.720 -25.553 1.00 30.53 O HETATM 2323 O HOH 249 6.045 -5.944 -16.780 1.00 37.45 O HETATM 2324 O HOH 250 10.817 -4.824 -21.143 1.00 41.44 O HETATM 2325 O HOH 251 -8.326 7.240 -22.515 1.00 32.18 O HETATM 2326 O HOH 252 -11.266 3.648 -28.322 1.00 41.53 O HETATM 2327 O HOH 253 -8.631 1.042 -31.599 1.00 43.45 O HETATM 2328 O HOH 254 -15.035 4.616 -6.105 1.00 35.13 O HETATM 2329 O HOH 255 -28.623 8.026 -7.248 1.00 37.06 O HETATM 2330 O HOH 256 -30.913 7.475 -10.115 1.00 29.68 O HETATM 2331 O HOH 257 -23.095 -0.868 -2.780 1.00 39.88 O HETATM 2332 O HOH 258 -22.261 -3.832 -1.765 1.00 49.09 O HETATM 2333 O HOH 259 -21.612 -7.923 -2.015 1.00 43.92 O HETATM 2334 O HOH 260 -29.517 0.759 -16.879 1.00 19.22 O HETATM 2335 O HOH 261 -31.705 -0.671 -17.474 1.00 33.89 O HETATM 2336 O HOH 262 -32.132 4.119 -17.882 1.00 32.91 O HETATM 2337 O HOH 263 -20.059 -0.313 -23.440 1.00 29.99 O HETATM 2338 O HOH 264 -17.492 0.366 -25.412 1.00 27.48 O HETATM 2339 O HOH 265 4.937 -6.131 -29.996 1.00 46.32 O HETATM 2340 O HOH 266 0.428 -11.344 -30.859 1.00 40.57 O HETATM 2341 O HOH 267 1.919 -9.847 -30.120 1.00 37.68 O HETATM 2342 O HOH 268 -8.178 -9.882 -33.542 1.00 37.97 O HETATM 2343 O HOH 269 -5.820 -12.996 -38.330 1.00 43.68 O HETATM 2344 O HOH 270 -12.427 -17.372 -31.859 1.00 43.76 O HETATM 2345 O HOH 271 -17.893 -11.973 -4.769 1.00 35.12 O HETATM 2346 O HOH 272 -25.439 -17.501 -12.989 1.00 35.15 O HETATM 2347 O HOH 273 -23.648 -20.622 -17.404 1.00 35.19 O HETATM 2348 O HOH 274 -29.278 -7.029 -18.459 1.00 35.67 O HETATM 2349 O HOH 275 -29.286 -7.875 -8.895 1.00 36.78 O HETATM 2350 O HOH 276 -28.930 -6.266 -5.562 1.00 42.63 O HETATM 2351 O HOH 277 -11.001 -1.189 -1.759 1.00 45.62 O HETATM 2352 O HOH 278 7.270 -12.255 -24.436 1.00 29.77 O HETATM 2353 O HOH 279 -10.328 -1.678 -31.837 1.00 41.46 O HETATM 2354 O HOH 280 9.933 -9.658 -20.496 1.00 28.14 O HETATM 2355 O HOH 281 6.334 -8.776 -22.728 1.00 39.34 O HETATM 2356 O HOH 282 -6.033 7.446 -18.858 1.00 35.66 O HETATM 2357 O HOH 283 1.019 3.051 -21.308 1.00 53.07 O HETATM 2358 O HOH 284 -12.302 -15.284 -2.249 1.00 36.95 O HETATM 2359 O HOH 285 3.399 -2.397 -30.752 1.00 45.11 O HETATM 2360 O HOH 286 -21.493 -14.580 -9.730 1.00 43.77 O HETATM 2361 O HOH 287 -20.309 -21.685 -12.536 1.00 43.13 O HETATM 2362 O HOH 288 -13.706 -0.202 -28.932 1.00 35.65 O HETATM 2363 O HOH 289 -13.312 0.199 -26.747 1.00 41.05 O HETATM 2364 O HOH 290 -10.117 -1.844 -34.166 1.00 42.16 O HETATM 2365 O HOH 291 -32.117 -3.361 -17.814 1.00 43.78 O HETATM 2366 O HOH 292 -32.731 -0.403 -14.022 1.00 41.59 O HETATM 2367 O HOH 293 -15.407 -20.123 -25.253 1.00 37.62 O HETATM 2368 O HOH 294 6.219 -16.071 -25.095 1.00 45.72 O HETATM 2369 O HOH 295 2.607 -0.235 -14.893 1.00 52.62 O HETATM 2370 O HOH 296 0.343 -13.984 -36.610 1.00 48.21 O HETATM 2371 O HOH 297 -25.751 -15.968 -19.323 1.00 43.51 O HETATM 2372 O HOH 298 -22.896 -13.090 -23.151 1.00 34.93 O HETATM 2373 O HOH 299 -15.835 7.420 -6.805 1.00 47.33 O HETATM 2374 O HOH 300 -6.985 -10.903 -37.539 1.00 45.46 O HETATM 2375 O HOH 301 -16.788 -20.099 -11.174 1.00 43.44 O HETATM 2376 O HOH 302 -3.185 2.129 -9.378 1.00 52.79 O HETATM 2377 O HOH 303 9.831 -5.899 -23.446 1.00 38.41 O HETATM 2378 O HOH 304 6.091 0.495 -18.008 1.00 40.18 O HETATM 2379 O HOH 305 -18.681 -17.420 -22.585 1.00 41.52 O HETATM 2380 O HOH 306 -23.489 -12.636 -25.543 1.00 40.92 O HETATM 2381 O HOH 307 -9.407 -0.032 -5.780 1.00 41.51 O HETATM 2382 O HOH 308 -17.539 -21.328 -13.175 1.00 46.71 O HETATM 2383 O HOH 309 9.486 -8.051 -18.106 1.00 41.70 O HETATM 2384 O HOH 310 -17.607 -5.510 -0.179 1.00 46.03 O HETATM 2385 O HOH 311 1.602 -15.578 -23.438 1.00 38.92 O HETATM 2386 O HOH 312 10.975 -6.261 -19.491 1.00 44.26 O HETATM 2387 O HOH 313 -12.949 -21.510 -26.619 1.00 34.06 O HETATM 2388 O HOH 314 -5.660 -19.827 -26.664 1.00 22.45 O HETATM 2389 O HOH 315 -6.733 -22.436 -27.467 1.00 21.11 O HETATM 2390 O HOH 316 2.308 -15.822 -25.534 1.00 41.72 O HETATM 2391 O HOH 317 1.516 -20.718 -23.359 1.00 34.36 O HETATM 2392 O HOH 318 -1.741 -25.340 -23.533 1.00 12.48 O HETATM 2393 O HOH 319 -7.152 -24.637 -25.975 1.00 21.17 O HETATM 2394 O HOH 320 -4.659 -22.399 -29.156 1.00 25.12 O HETATM 2395 O HOH 321 3.023 -12.073 -27.782 1.00 36.60 O HETATM 2396 O HOH 322 -15.165 -21.401 -17.465 1.00 27.65 O HETATM 2397 O HOH 323 -13.642 -22.497 -25.053 1.00 21.17 O HETATM 2398 O HOH 324 1.131 -18.337 -25.950 1.00 49.38 O HETATM 2399 O HOH 325 -11.995 -20.406 -23.402 1.00 23.31 O HETATM 2400 O HOH 326 -0.124 -23.638 -24.998 1.00 33.57 O HETATM 2401 C ACE A 327 -17.400 -20.624 -20.258 1.00 0.18 C HETATM 2402 O ACE A 327 -17.060 -20.530 -19.078 1.00 -0.40 O HETATM 2403 CH3 ACE A 327 -18.707 -20.050 -20.726 1.00 0.03 C HETATM 2404 H1 ACE A 327 -18.824 -20.236 -21.804 1.00 0.05 H HETATM 2405 H2 ACE A 327 -18.720 -18.966 -20.538 1.00 0.05 H HETATM 2406 H3 ACE A 327 -19.534 -20.527 -20.179 1.00 0.05 H HETATM 2407 N ACE A 327 -16.843 -21.475 -21.125 1.00 -0.26 N HETATM 2408 CA ACE A 327 -15.577 -22.198 -20.947 1.00 0.15 C HETATM 2409 C ACE A 327 -14.317 -21.349 -21.193 1.00 0.21 C HETATM 2410 O ACE A 327 -13.909 -21.104 -22.324 1.00 -0.39 O HETATM 2411 N ACE A 327 -13.678 -20.966 -20.104 1.00 -0.26 N HETATM 2412 CA ACE A 327 -12.552 -20.044 -20.105 1.00 0.13 C HETATM 2413 C ACE A 327 -11.208 -20.739 -20.250 1.00 0.20 C HETATM 2414 O ACE A 327 -10.168 -20.077 -20.321 1.00 -0.39 O HETATM 2415 N ACE A 327 -11.210 -22.065 -20.244 1.00 -0.26 N HETATM 2416 CA ACE A 327 -9.939 -22.788 -20.246 1.00 0.14 C HETATM 2417 C ACE A 327 -9.120 -22.479 -21.491 1.00 0.21 C HETATM 2418 O ACE A 327 -7.919 -22.231 -21.414 1.00 -0.39 O HETATM 2419 N ACE A 327 -9.774 -22.492 -22.640 1.00 -0.26 N HETATM 2420 CA ACE A 327 -9.055 -22.379 -23.902 1.00 0.15 C HETATM 2421 C ACE A 327 -8.559 -20.978 -24.215 1.00 0.21 C HETATM 2422 O ACE A 327 -7.511 -20.811 -24.850 1.00 -0.39 O HETATM 2423 N ACE A 327 -9.318 -19.972 -23.795 1.00 -0.26 N HETATM 2424 CA ACE A 327 -9.107 -18.620 -24.289 1.00 0.13 C HETATM 2425 C ACE A 327 -8.839 -17.579 -23.211 1.00 0.20 C HETATM 2426 O ACE A 327 -8.594 -16.427 -23.556 1.00 -0.39 O HETATM 2427 N ACE A 327 -8.871 -17.942 -21.927 1.00 -0.26 N HETATM 2428 CA ACE A 327 -8.545 -16.925 -20.924 1.00 0.15 C HETATM 2429 C ACE A 327 -7.035 -16.720 -20.824 1.00 0.21 C HETATM 2430 O ACE A 327 -6.582 -15.746 -20.208 1.00 -0.39 O HETATM 2431 N ACE A 327 -6.275 -17.629 -21.428 1.00 -0.26 N HETATM 2432 CA ACE A 327 -4.867 -17.378 -21.754 1.00 0.13 C HETATM 2433 C ACE A 327 -4.646 -17.714 -23.223 1.00 0.20 C HETATM 2434 O ACE A 327 -5.406 -18.483 -23.818 1.00 -0.39 O HETATM 2435 N ACE A 327 -3.603 -17.151 -23.821 1.00 -0.26 N HETATM 2436 CA ACE A 327 -3.250 -17.547 -25.172 1.00 0.13 C HETATM 2437 C ACE A 327 -2.424 -18.810 -25.124 1.00 0.20 C HETATM 2438 O ACE A 327 -1.378 -18.854 -24.471 1.00 -0.39 O HETATM 2439 N ACE A 327 -2.911 -19.854 -25.788 1.00 -0.26 N HETATM 2440 CA ACE A 327 -2.216 -21.138 -25.796 1.00 0.13 C HETATM 2441 C ACE A 327 -1.485 -21.351 -27.117 1.00 0.20 C HETATM 2442 O ACE A 327 -2.085 -21.739 -28.113 1.00 -0.39 O HETATM 2443 N ACE A 327 -0.180 -21.071 -27.103 1.00 -0.27 N HETATM 2444 CA ACE A 327 0.689 -21.173 -28.278 1.00 0.12 C HETATM 2445 C ACE A 327 1.984 -21.908 -27.919 1.00 0.06 C HETATM 2446 O ACE A 327 2.630 -22.520 -28.779 1.00 -0.57 O HETATM 2447 OXT ACE A 327 2.417 -21.909 -26.760 1.00 -0.57 O HETATM 2448 CB ACE A 327 1.024 -19.784 -28.832 1.00 0.08 C HETATM 2449 OG ACE A 327 -0.131 -19.104 -29.308 1.00 -0.39 O HETATM 2450 H85 ACE A 327 0.120 -18.251 -29.641 1.00 0.21 H HETATM 2451 H83 ACE A 327 1.737 -19.896 -29.662 1.00 0.06 H HETATM 2452 H84 ACE A 327 1.484 -19.185 -28.032 1.00 0.06 H HETATM 2453 H82 ACE A 327 0.161 -21.744 -29.055 1.00 0.07 H HETATM 2454 H81 ACE A 327 0.229 -20.774 -26.240 1.00 0.19 H HETATM 2455 CB ACE A 327 -3.216 -22.276 -25.523 1.00 -0.01 C HETATM 2456 CG ACE A 327 -3.815 -22.214 -24.116 1.00 -0.02 C HETATM 2457 CD ACE A 327 -4.742 -23.410 -23.831 1.00 0.06 C HETATM 2458 NE ACE A 327 -5.374 -23.226 -22.528 1.00 -0.27 N HETATM 2459 CZ ACE A 327 -4.889 -23.680 -21.376 1.00 0.29 C HETATM 2460 NH1 ACE A 327 -3.766 -24.388 -21.349 1.00 -0.28 N HETATM 2461 H77 ACE A 327 -3.398 -24.736 -20.452 1.00 0.26 H HETATM 2462 H78 ACE A 327 -3.263 -24.590 -22.225 1.00 0.26 H HETATM 2463 NH2 ACE A 327 -5.550 -23.441 -20.244 1.00 -0.28 N HETATM 2464 H79 ACE A 327 -6.421 -22.892 -20.262 1.00 0.26 H HETATM 2465 H80 ACE A 327 -5.190 -23.805 -19.351 1.00 0.26 H HETATM 2466 H76 ACE A 327 -6.262 -22.705 -22.499 1.00 0.26 H HETATM 2467 H74 ACE A 327 -4.153 -24.339 -23.827 1.00 0.07 H HETATM 2468 H75 ACE A 327 -5.516 -23.470 -24.610 1.00 0.07 H HETATM 2469 H72 ACE A 327 -4.394 -21.284 -24.017 1.00 0.03 H HETATM 2470 H73 ACE A 327 -2.997 -22.216 -23.381 1.00 0.03 H HETATM 2471 H70 ACE A 327 -2.695 -23.238 -25.641 1.00 0.03 H HETATM 2472 H71 ACE A 327 -4.033 -22.209 -26.256 1.00 0.03 H HETATM 2473 H69 ACE A 327 -1.469 -21.133 -24.988 1.00 0.08 H HETATM 2474 H68 ACE A 327 -3.770 -19.758 -26.291 1.00 0.19 H HETATM 2475 CB ACE A 327 -2.489 -16.441 -25.896 1.00 -0.01 C HETATM 2476 CG ACE A 327 -2.037 -16.892 -27.278 1.00 -0.02 C HETATM 2477 CD ACE A 327 -1.797 -15.711 -28.172 1.00 0.06 C HETATM 2478 NE ACE A 327 -0.517 -15.098 -27.884 1.00 -0.27 N HETATM 2479 CZ ACE A 327 0.581 -15.321 -28.599 1.00 0.29 C HETATM 2480 NH1 ACE A 327 0.536 -16.149 -29.631 1.00 -0.28 N HETATM 2481 H64 ACE A 327 1.385 -16.325 -30.188 1.00 0.26 H HETATM 2482 H65 ACE A 327 -0.348 -16.618 -29.877 1.00 0.26 H HETATM 2483 NH2 ACE A 327 1.720 -14.720 -28.274 1.00 -0.28 N HETATM 2484 H66 ACE A 327 1.752 -14.076 -27.471 1.00 0.26 H HETATM 2485 H67 ACE A 327 2.572 -14.898 -28.826 1.00 0.26 H HETATM 2486 H63 ACE A 327 -0.454 -14.455 -27.082 1.00 0.26 H HETATM 2487 H61 ACE A 327 -2.595 -14.971 -28.013 1.00 0.07 H HETATM 2488 H62 ACE A 327 -1.809 -16.044 -29.220 1.00 0.07 H HETATM 2489 H59 ACE A 327 -2.816 -17.528 -27.723 1.00 0.03 H HETATM 2490 H60 ACE A 327 -1.104 -17.467 -27.183 1.00 0.03 H HETATM 2491 H57 ACE A 327 -1.605 -16.167 -25.302 1.00 0.03 H HETATM 2492 H58 ACE A 327 -3.146 -15.565 -26.002 1.00 0.03 H HETATM 2493 H56 ACE A 327 -4.176 -17.752 -25.730 1.00 0.08 H HETATM 2494 H55 ACE A 327 -3.063 -16.458 -23.343 1.00 0.19 H HETATM 2495 CB ACE A 327 -3.883 -18.208 -20.898 1.00 -0.00 C HETATM 2496 CG1 ACE A 327 -4.010 -19.694 -21.241 1.00 -0.05 C HETATM 2497 CD1 ACE A 327 -2.834 -20.565 -20.703 1.00 -0.06 C HETATM 2498 H52 ACE A 327 -2.995 -21.615 -20.988 1.00 0.02 H HETATM 2499 H53 ACE A 327 -2.790 -20.485 -19.607 1.00 0.02 H HETATM 2500 H54 ACE A 327 -1.887 -20.209 -21.135 1.00 0.02 H HETATM 2501 H47 ACE A 327 -4.045 -19.796 -22.336 1.00 0.03 H HETATM 2502 H48 ACE A 327 -4.948 -20.071 -20.808 1.00 0.03 H HETATM 2503 CG2 ACE A 327 -4.088 -17.960 -19.401 1.00 -0.06 C HETATM 2504 H49 ACE A 327 -3.990 -16.885 -19.191 1.00 0.02 H HETATM 2505 H50 ACE A 327 -3.330 -18.516 -18.830 1.00 0.02 H HETATM 2506 H51 ACE A 327 -5.091 -18.301 -19.107 1.00 0.02 H HETATM 2507 H46 ACE A 327 -2.862 -17.888 -21.152 1.00 0.03 H HETATM 2508 H45 ACE A 327 -4.656 -16.311 -21.588 1.00 0.08 H HETATM 2509 H44 ACE A 327 -6.677 -18.513 -21.668 1.00 0.19 H HETATM 2510 CB ACE A 327 -9.159 -17.224 -19.531 1.00 0.08 C HETATM 2511 OG ACE A 327 -8.618 -18.387 -18.907 1.00 -0.39 O HETATM 2512 H43 ACE A 327 -8.779 -19.144 -19.457 1.00 0.21 H HETATM 2513 H41 ACE A 327 -10.243 -17.366 -19.652 1.00 0.06 H HETATM 2514 H42 ACE A 327 -8.973 -16.360 -18.876 1.00 0.06 H HETATM 2515 H40 ACE A 327 -8.983 -15.978 -21.272 1.00 0.08 H HETATM 2516 H39 ACE A 327 -9.109 -18.875 -21.659 1.00 0.19 H HETATM 2517 CB ACE A 327 -10.317 -18.184 -25.104 1.00 -0.00 C HETATM 2518 CG ACE A 327 -10.696 -19.190 -26.188 1.00 -0.00 C HETATM 2519 SD ACE A 327 -9.882 -18.744 -27.719 1.00 -0.16 S HETATM 2520 CE ACE A 327 -10.762 -17.232 -28.022 1.00 -0.02 C HETATM 2521 H36 ACE A 327 -10.399 -16.777 -28.956 1.00 0.03 H HETATM 2522 H37 ACE A 327 -10.595 -16.537 -27.186 1.00 0.03 H HETATM 2523 H38 ACE A 327 -11.837 -17.445 -28.112 1.00 0.03 H HETATM 2524 H34 ACE A 327 -11.786 -19.179 -26.335 1.00 0.04 H HETATM 2525 H35 ACE A 327 -10.377 -20.197 -25.882 1.00 0.04 H HETATM 2526 H32 ACE A 327 -10.089 -17.221 -25.583 1.00 0.03 H HETATM 2527 H33 ACE A 327 -11.173 -18.062 -24.424 1.00 0.03 H HETATM 2528 H31 ACE A 327 -8.229 -18.645 -24.951 1.00 0.08 H HETATM 2529 H30 ACE A 327 -10.044 -20.146 -23.130 1.00 0.19 H HETATM 2530 CB ACE A 327 -9.957 -22.891 -25.019 1.00 0.08 C HETATM 2531 CG ACE A 327 -10.388 -24.321 -24.776 1.00 0.18 C HETATM 2532 OD1 ACE A 327 -9.546 -25.199 -24.652 1.00 -0.40 O HETATM 2533 ND2 ACE A 327 -11.699 -24.560 -24.661 1.00 -0.30 N HETATM 2534 H28 ACE A 327 -12.025 -25.491 -24.500 1.00 0.18 H HETATM 2535 H29 ACE A 327 -12.353 -23.807 -24.736 1.00 0.18 H HETATM 2536 H26 ACE A 327 -9.409 -22.840 -25.972 1.00 0.06 H HETATM 2537 H27 ACE A 327 -10.852 -22.253 -25.076 1.00 0.06 H HETATM 2538 H25 ACE A 327 -8.172 -23.032 -23.842 1.00 0.08 H HETATM 2539 H24 ACE A 327 -10.770 -22.580 -22.643 1.00 0.19 H HETATM 2540 CB ACE A 327 -10.190 -24.285 -20.153 1.00 0.02 C HETATM 2541 CG ACE A 327 -8.945 -25.159 -20.238 1.00 -0.05 C HETATM 2542 CD1 ACE A 327 -8.322 -25.414 -21.455 1.00 -0.07 C HETATM 2543 CE1 ACE A 327 -7.208 -26.246 -21.535 1.00 -0.04 C HETATM 2544 CZ ACE A 327 -6.704 -26.806 -20.387 1.00 0.08 C HETATM 2545 CE2 ACE A 327 -7.308 -26.577 -19.166 1.00 -0.04 C HETATM 2546 CD2 ACE A 327 -8.423 -25.758 -19.098 1.00 -0.07 C HETATM 2547 H20 ACE A 327 -8.896 -25.581 -18.139 1.00 0.05 H HETATM 2548 H22 ACE A 327 -6.912 -27.035 -18.267 1.00 0.05 H HETATM 2549 OH ACE A 327 -5.604 -27.643 -20.469 1.00 -0.34 O HETATM 2550 H23 ACE A 327 -5.844 -28.510 -20.165 1.00 0.25 H HETATM 2551 H21 ACE A 327 -6.744 -26.449 -22.493 1.00 0.05 H HETATM 2552 H19 ACE A 327 -8.711 -24.957 -22.358 1.00 0.05 H HETATM 2553 H17 ACE A 327 -10.862 -24.569 -20.976 1.00 0.05 H HETATM 2554 H18 ACE A 327 -10.683 -24.488 -19.191 1.00 0.05 H HETATM 2555 H16 ACE A 327 -9.361 -22.473 -19.365 1.00 0.08 H HETATM 2556 H15 ACE A 327 -12.075 -22.567 -20.238 1.00 0.19 H HETATM 2557 CB ACE A 327 -12.557 -19.245 -18.798 1.00 -0.02 C HETATM 2558 H12 ACE A 327 -11.708 -18.546 -18.793 1.00 0.03 H HETATM 2559 H13 ACE A 327 -12.469 -19.935 -17.946 1.00 0.03 H HETATM 2560 H14 ACE A 327 -13.498 -18.680 -18.717 1.00 0.03 H HETATM 2561 H11 ACE A 327 -12.675 -19.352 -20.951 1.00 0.08 H HETATM 2562 H10 ACE A 327 -13.986 -21.331 -19.225 1.00 0.19 H HETATM 2563 CB ACE A 327 -15.554 -23.417 -21.860 1.00 0.08 C HETATM 2564 CG ACE A 327 -14.384 -24.330 -21.568 1.00 0.18 C HETATM 2565 OD1 ACE A 327 -13.562 -24.034 -20.694 1.00 -0.40 O HETATM 2566 ND2 ACE A 327 -14.305 -25.460 -22.292 1.00 -0.30 N HETATM 2567 H8 ACE A 327 -13.552 -26.100 -22.140 1.00 0.18 H HETATM 2568 H9 ACE A 327 -15.000 -25.661 -22.983 1.00 0.18 H HETATM 2569 H6 ACE A 327 -15.485 -23.076 -22.904 1.00 0.06 H HETATM 2570 H7 ACE A 327 -16.487 -23.982 -21.720 1.00 0.06 H HETATM 2571 H5 ACE A 327 -15.541 -22.545 -19.904 1.00 0.08 H HETATM 2572 H4 ACE A 327 -17.337 -21.635 -21.980 1.00 0.19 H CONECT 1 2 6 7 8 CONECT 6 1 CONECT 7 1 CONECT 8 1 CONECT 187 186 895 CONECT 895 187 894 CONECT 1056 1057 1064 1065 1066 CONECT 1064 1056 CONECT 1065 1056 CONECT 1066 1056 CONECT 1254 1253 1889 CONECT 1889 1254 1888 CONECT 2401 2402 2403 2407 CONECT 2402 2401 CONECT 2403 2401 2404 2405 2406 CONECT 2404 2403 CONECT 2405 2403 CONECT 2406 2403 CONECT 2407 2401 2408 2572 CONECT 2408 2407 2409 2563 2571 CONECT 2409 2408 2410 2411 CONECT 2410 2409 CONECT 2411 2409 2412 2562 CONECT 2412 2411 2413 2557 2561 CONECT 2413 2412 2414 2415 CONECT 2414 2413 CONECT 2415 2413 2416 2556 CONECT 2416 2415 2417 2540 2555 CONECT 2417 2416 2418 2419 CONECT 2418 2417 CONECT 2419 2417 2420 2539 CONECT 2420 2419 2421 2530 2538 CONECT 2421 2420 2422 2423 CONECT 2422 2421 CONECT 2423 2421 2424 2529 CONECT 2424 2423 2425 2517 2528 CONECT 2425 2424 2426 2427 CONECT 2426 2425 CONECT 2427 2425 2428 2516 CONECT 2428 2427 2429 2510 2515 CONECT 2429 2428 2430 2431 CONECT 2430 2429 CONECT 2431 2429 2432 2509 CONECT 2432 2431 2433 2495 2508 CONECT 2433 2432 2434 2435 CONECT 2434 2433 CONECT 2435 2433 2436 2494 CONECT 2436 2435 2437 2475 2493 CONECT 2437 2436 2438 2439 CONECT 2438 2437 CONECT 2439 2437 2440 2474 CONECT 2440 2439 2441 2455 2473 CONECT 2441 2440 2442 2443 CONECT 2442 2441 CONECT 2443 2441 2444 2454 CONECT 2444 2443 2445 2448 2453 CONECT 2445 2444 2446 2447 CONECT 2446 2445 CONECT 2447 2445 CONECT 2448 2444 2449 2451 2452 CONECT 2449 2448 2450 CONECT 2450 2449 CONECT 2451 2448 CONECT 2452 2448 CONECT 2453 2444 CONECT 2454 2443 CONECT 2455 2440 2456 2471 2472 CONECT 2456 2455 2457 2469 2470 CONECT 2457 2456 2458 2467 2468 CONECT 2458 2457 2459 2466 CONECT 2459 2458 2460 2463 CONECT 2460 2459 2461 2462 CONECT 2461 2460 CONECT 2462 2460 CONECT 2463 2459 2464 2465 CONECT 2464 2463 CONECT 2465 2463 CONECT 2466 2458 CONECT 2467 2457 CONECT 2468 2457 CONECT 2469 2456 CONECT 2470 2456 CONECT 2471 2455 CONECT 2472 2455 CONECT 2473 2440 CONECT 2474 2439 CONECT 2475 2436 2476 2491 2492 CONECT 2476 2475 2477 2489 2490 CONECT 2477 2476 2478 2487 2488 CONECT 2478 2477 2479 2486 CONECT 2479 2478 2480 2483 CONECT 2480 2479 2481 2482 CONECT 2481 2480 CONECT 2482 2480 CONECT 2483 2479 2484 2485 CONECT 2484 2483 CONECT 2485 2483 CONECT 2486 2478 CONECT 2487 2477 CONECT 2488 2477 CONECT 2489 2476 CONECT 2490 2476 CONECT 2491 2475 CONECT 2492 2475 CONECT 2493 2436 CONECT 2494 2435 CONECT 2495 2432 2496 2503 2507 CONECT 2496 2495 2497 2501 2502 CONECT 2497 2496 2498 2499 2500 CONECT 2498 2497 CONECT 2499 2497 CONECT 2500 2497 CONECT 2501 2496 CONECT 2502 2496 CONECT 2503 2495 2504 2505 2506 CONECT 2504 2503 CONECT 2505 2503 CONECT 2506 2503 CONECT 2507 2495 CONECT 2508 2432 CONECT 2509 2431 CONECT 2510 2428 2511 2513 2514 CONECT 2511 2510 2512 CONECT 2512 2511 CONECT 2513 2510 CONECT 2514 2510 CONECT 2515 2428 CONECT 2516 2427 CONECT 2517 2424 2518 2526 2527 CONECT 2518 2517 2519 2524 2525 CONECT 2519 2518 2520 CONECT 2520 2519 2521 2522 2523 CONECT 2521 2520 CONECT 2522 2520 CONECT 2523 2520 CONECT 2524 2518 CONECT 2525 2518 CONECT 2526 2517 CONECT 2527 2517 CONECT 2528 2424 CONECT 2529 2423 CONECT 2530 2420 2531 2536 2537 CONECT 2531 2530 2532 2533 CONECT 2532 2531 CONECT 2533 2531 2534 2535 CONECT 2534 2533 CONECT 2535 2533 CONECT 2536 2530 CONECT 2537 2530 CONECT 2538 2420 CONECT 2539 2419 CONECT 2540 2416 2541 2553 2554 CONECT 2541 2540 2542 2546 CONECT 2542 2541 2543 2552 CONECT 2543 2542 2544 2551 CONECT 2544 2543 2545 2549 CONECT 2545 2544 2546 2548 CONECT 2546 2541 2545 2547 CONECT 2547 2546 CONECT 2548 2545 CONECT 2549 2544 2550 CONECT 2550 2549 CONECT 2551 2543 CONECT 2552 2542 CONECT 2553 2540 CONECT 2554 2540 CONECT 2555 2416 CONECT 2556 2415 CONECT 2557 2412 2558 2559 2560 CONECT 2558 2557 CONECT 2559 2557 CONECT 2560 2557 CONECT 2561 2412 CONECT 2562 2411 CONECT 2563 2408 2564 2569 2570 CONECT 2564 2563 2565 2566 CONECT 2565 2564 CONECT 2566 2564 2567 2568 CONECT 2567 2566 CONECT 2568 2566 CONECT 2569 2563 CONECT 2570 2563 CONECT 2571 2408 CONECT 2572 2407 MASTER 0 0 0 0 0 0 0 0 2570 2 184 18 END
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Entry Information
PDB ID
4qxt
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
anti-MSP2 Fv fragment (mAb6D8)
Ligand Name
19-mer
EC.Number
E.C.-.-.-.-
Resolution
1.58(Å)
Affinity (Kd/Ki/IC50)
Kd=16nM
Release Year
2015
Protein/NA Sequence
Check fasta file
Primary Reference
(2015) Sci Rep Vol. 5: pp. 10103-10103
Ligand Properties
Formula
C
5
1
H
8
6
N
1
8
O
1
7
S
Molecular Weight
1255.400
Exact Mass
1254.610
No. of atoms
173
No. of bonds
173
Polar Surface Area
632.49
LOGP Value
-1.99 (
Computed with XLOGP3
)
-4.18 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 15
No. of Hydrogen Bond Acceptors: 17
No. of Rotatable Bonds: 53
No. of Nitrogen and Oxygen Atoms: 35
No. of Rings: 1
Canonical SMILES
CSCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CO)CCC[NH+]=C(N)N)CCC[NH+]=C(N)N)[C@H](CC)C)CO)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)C)CC(=O)N)C)Cc1ccc(cc1)O)CC(=O)N
InChI String
InChI=1S/C51H84N18O17S/c1-6-24(2)39(48(84)64-30(10-8-17-59-51(56)57)41(77)62-29(9-7-16-58-50(54)55)42(78)68-36(23-71)49(85)86)69-47(83)35(22-70)67-43(79)31(15-18-87-5)63-46(82)34(21-38(53)75)66-45(81)32(19-27-11-13-28(73)14-12-27)65-40(76)25(3)60-44(80)33(20-37(52)74)61-26(4)72/h11-14,24-25,29-36,39,70-71,73H,6-10,15-23H2,1-5H3,(H2,52,74)(H2,53,75)(H,60,80)(H,61,72)(H,62,77)(H,63,82)(H,64,84)(H,65,76)(H,66,81)(H,67,79)(H,68,78)(H,69,83)(H,85,86)(H4,54,55,58)(H4,56,57,59)/p+2/t24-,25-,29-,30-,31-,32-,33-,34-,35-,36-,39-/m0/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
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Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
Q03643
Entrez Gene ID
No matched NCBI Entrez Gene ID found!
ASD
Information of known allosteric effects of PDB entries
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