Browse entries in the PDBbind-CN Database
HEADER 5H5O_COMPLEX COMPND 5H5O_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 125 GLY LEU HIS ALA LEU MSE THR ALA GLU GLU LEU ALA PHE SEQRES 2 A 125 PHE ALA ARG PHE GLY ARG MSE ARG GLU ILE ALA ALA GLY SEQRES 3 A 125 GLN ALA LEU PHE GLU ARG GLY ALA VAL GLY THR GLN MSE SEQRES 4 A 125 PHE ILE VAL VAL THR GLY GLN ILE ASP LEU ASP PHE GLY SEQRES 5 A 125 GLU ASP LEU MSE LEU LYS HIS LEU GLY PRO GLY GLU PHE SEQRES 6 A 125 PHE GLY GLU LEU GLY LEU LEU ILE GLY ASP HIS ALA ARG SEQRES 7 A 125 SER ALA GLY ALA SER ALA SER VAL ASP SER ARG LEU ILE SEQRES 8 A 125 GLU LEU ALA HIS ASP ASP PHE GLN ARG LEU VAL ASP HIS SEQRES 9 A 125 ASP PRO SER MSE VAL ALA HIS PHE LEU ARG ARG SER ILE SEQRES 10 A 125 VAL ARG VAL VAL ASN ASN GLU GLN SEQRES 1 B 123 HIS ALA LEU MSE THR ALA GLU GLU LEU ALA PHE PHE ALA SEQRES 2 B 123 ARG PHE GLY ARG MSE ARG GLU ILE ALA ALA GLY GLN ALA SEQRES 3 B 123 LEU PHE GLU ARG GLY ALA VAL GLY THR GLN MSE PHE ILE SEQRES 4 B 123 VAL VAL THR GLY GLN ILE ASP LEU ASP PHE GLY GLU ASP SEQRES 5 B 123 LEU MSE LEU LYS HIS LEU GLY PRO GLY GLU PHE PHE GLY SEQRES 6 B 123 GLU LEU GLY LEU LEU ILE GLY ASP HIS ALA ARG SER ALA SEQRES 7 B 123 GLY ALA SER ALA SER VAL ASP SER ARG LEU ILE GLU LEU SEQRES 8 B 123 ALA HIS ASP ASP PHE GLN ARG LEU VAL ASP HIS ASP PRO SEQRES 9 B 123 SER MSE VAL ALA HIS PHE LEU ARG ARG SER ILE VAL ARG SEQRES 10 B 123 VAL VAL ASN ASN GLU GLN HET MSE A 28 9 HET MSE A 42 9 HET MSE A 61 9 HET MSE A 78 9 HET MSE A 130 9 HET MSE B 28 9 HET MSE B 42 9 HET MSE B 61 9 HET MSE B 78 9 HET MSE B 130 9 HET PCG A 384 35 ATOM 1 N GLY A 23 18.629 -5.922 13.110 1.00122.25 N ATOM 2 CA GLY A 23 18.970 -7.330 13.009 1.00124.44 C ATOM 3 C GLY A 23 17.970 -8.144 12.205 1.00125.21 C ATOM 4 O GLY A 23 17.525 -7.724 11.134 1.00125.89 O ATOM 5 HN3 GLY A 23 17.704 -5.823 13.574 1.00 0.00 H ATOM 6 HN2 GLY A 23 18.586 -5.508 12.157 1.00 0.00 H ATOM 7 HN1 GLY A 23 19.354 -5.430 13.671 1.00 0.00 H ATOM 8 N LEU A 24 17.620 -9.320 12.720 1.00118.68 N ATOM 9 CA LEU A 24 16.650 -10.190 12.057 1.00113.15 C ATOM 10 C LEU A 24 15.545 -10.630 13.023 1.00108.84 C ATOM 11 O LEU A 24 14.944 -11.696 12.865 1.00103.04 O ATOM 12 CB LEU A 24 17.345 -11.401 11.424 1.00109.52 C ATOM 13 CG LEU A 24 16.703 -11.950 10.146 1.00104.51 C ATOM 14 CD1 LEU A 24 16.512 -10.829 9.131 1.00102.33 C ATOM 15 CD2 LEU A 24 17.533 -13.087 9.554 1.00102.05 C ATOM 16 H LEU A 24 18.047 -9.628 13.617 1.00 0.00 H ATOM 17 N HIS A 25 15.296 -9.800 14.033 1.00113.37 N ATOM 18 CA HIS A 25 14.147 -9.969 14.919 1.00108.85 C ATOM 19 C HIS A 25 13.050 -8.991 14.508 1.00 96.25 C ATOM 20 O HIS A 25 13.336 -7.861 14.119 1.00 93.66 O ATOM 21 CB HIS A 25 14.541 -9.754 16.385 1.00112.85 C ATOM 22 CG HIS A 25 15.294 -10.902 16.983 1.00118.90 C ATOM 23 ND1 HIS A 25 15.334 -11.140 18.341 1.00121.24 N ATOM 24 CD2 HIS A 25 16.036 -11.881 16.410 1.00121.27 C ATOM 25 CE1 HIS A 25 16.066 -12.214 18.578 1.00121.57 C ATOM 26 NE2 HIS A 25 16.504 -12.683 17.423 1.00122.06 N ATOM 27 H HIS A 25 15.943 -9.002 14.197 1.00 0.00 H ATOM 28 N ALA A 26 11.803 -9.441 14.602 1.00 85.82 N ATOM 29 CA ALA A 26 10.639 -8.705 14.108 1.00 78.15 C ATOM 30 C ALA A 26 10.598 -7.215 14.471 1.00 75.56 C ATOM 31 O ALA A 26 11.117 -6.378 13.736 1.00 85.42 O ATOM 32 CB ALA A 26 9.364 -9.400 14.562 1.00 73.78 C ATOM 33 H ALA A 26 11.646 -10.366 15.051 1.00 0.00 H ATOM 34 N LEU A 27 9.974 -6.896 15.597 1.00 65.46 N ATOM 35 CA LEU A 27 9.781 -5.506 16.038 1.00 54.90 C ATOM 36 C LEU A 27 8.888 -4.640 15.139 1.00 41.94 C ATOM 37 O LEU A 27 9.245 -4.257 14.025 1.00 44.02 O ATOM 38 CB LEU A 27 11.102 -4.799 16.372 1.00 51.59 C ATOM 39 CG LEU A 27 11.413 -4.716 17.872 1.00 51.14 C ATOM 40 CD1 LEU A 27 11.212 -6.056 18.596 1.00 42.14 C ATOM 41 CD2 LEU A 27 12.825 -4.221 18.104 1.00 51.03 C ATOM 42 H LEU A 27 9.605 -7.663 16.195 1.00 0.00 H HETATM 43 N MSE A 28 7.705 -4.356 15.658 1.00 26.73 N HETATM 44 CA MSE A 28 6.817 -3.376 15.088 1.00 25.91 C HETATM 45 C MSE A 28 7.371 -1.998 15.426 1.00 26.52 C HETATM 46 O MSE A 28 8.204 -1.867 16.337 1.00 21.74 O HETATM 47 CB MSE A 28 5.430 -3.528 15.716 1.00 24.03 C HETATM 48 CG MSE A 28 4.978 -4.965 15.871 1.00 22.22 C HETATM 49 SE MSE A 28 4.533 -5.674 14.161 1.00 44.88 S HETATM 50 CE MSE A 28 2.970 -4.586 13.755 1.00 57.56 C HETATM 51 H MSE A 28 7.403 -4.862 16.515 1.00 0.00 H ATOM 52 N THR A 29 6.903 -0.980 14.705 1.00 25.74 N ATOM 53 CA THR A 29 7.136 0.418 15.080 1.00 19.62 C ATOM 54 C THR A 29 6.130 0.820 16.187 1.00 17.68 C ATOM 55 O THR A 29 5.182 0.072 16.489 1.00 16.48 O ATOM 56 CB THR A 29 6.961 1.356 13.872 1.00 26.34 C ATOM 57 OG1 THR A 29 5.595 1.343 13.463 1.00 22.56 O ATOM 58 CG2 THR A 29 7.841 0.908 12.691 1.00 25.73 C ATOM 59 HG1 THR A 29 5.479 1.945 12.686 1.00 0.00 H ATOM 60 H THR A 29 6.353 -1.184 13.846 1.00 0.00 H ATOM 61 N ALA A 30 6.339 1.977 16.804 1.00 22.83 N ATOM 62 CA ALA A 30 5.418 2.445 17.849 1.00 30.64 C ATOM 63 C ALA A 30 4.011 2.640 17.248 1.00 29.39 C ATOM 64 O ALA A 30 2.999 2.218 17.813 1.00 23.10 O ATOM 65 CB ALA A 30 5.924 3.737 18.461 1.00 14.32 C ATOM 66 H ALA A 30 7.162 2.557 16.545 1.00 0.00 H ATOM 67 N GLU A 31 3.971 3.271 16.083 1.00 23.03 N ATOM 68 CA GLU A 31 2.727 3.466 15.354 1.00 24.65 C ATOM 69 C GLU A 31 1.985 2.145 15.092 1.00 22.83 C ATOM 70 O GLU A 31 0.789 2.021 15.358 1.00 27.65 O ATOM 71 CB GLU A 31 3.051 4.132 14.020 1.00 21.18 C ATOM 72 CG GLU A 31 1.869 4.314 13.126 1.00 30.90 C ATOM 73 CD GLU A 31 2.267 4.980 11.815 1.00 38.03 C ATOM 74 OE1 GLU A 31 3.313 4.592 11.233 1.00 28.34 O ATOM 75 OE2 GLU A 31 1.541 5.904 11.400 1.00 33.69 O ATOM 76 H GLU A 31 4.856 3.638 15.678 1.00 0.00 H ATOM 77 N GLU A 32 2.702 1.165 14.556 1.00 19.92 N ATOM 78 CA GLU A 32 2.121 -0.161 14.352 1.00 27.22 C ATOM 79 C GLU A 32 1.560 -0.767 15.646 1.00 29.74 C ATOM 80 O GLU A 32 0.433 -1.285 15.672 1.00 24.79 O ATOM 81 CB GLU A 32 3.152 -1.100 13.720 1.00 23.30 C ATOM 82 CG GLU A 32 3.501 -0.752 12.276 1.00 25.67 C ATOM 83 CD GLU A 32 4.714 -1.523 11.764 1.00 28.25 C ATOM 84 OE1 GLU A 32 5.347 -2.263 12.551 1.00 25.27 O ATOM 85 OE2 GLU A 32 5.032 -1.394 10.565 1.00 30.12 O ATOM 86 H GLU A 32 3.688 1.342 14.278 1.00 0.00 H ATOM 87 N LEU A 33 2.348 -0.695 16.717 1.00 22.96 N ATOM 88 CA LEU A 33 1.950 -1.293 17.981 1.00 28.01 C ATOM 89 C LEU A 33 0.623 -0.700 18.398 1.00 20.19 C ATOM 90 O LEU A 33 -0.303 -1.441 18.690 1.00 18.57 O ATOM 91 CB LEU A 33 3.003 -1.048 19.069 1.00 25.15 C ATOM 92 CG LEU A 33 3.670 -2.226 19.781 1.00 35.54 C ATOM 93 CD1 LEU A 33 3.645 -3.500 18.936 1.00 23.93 C ATOM 94 CD2 LEU A 33 5.118 -1.852 20.204 1.00 23.54 C ATOM 95 H LEU A 33 3.262 -0.204 16.648 1.00 0.00 H ATOM 96 N ALA A 34 0.530 0.630 18.391 1.00 23.93 N ATOM 97 CA ALA A 34 -0.689 1.311 18.810 1.00 21.36 C ATOM 98 C ALA A 34 -1.873 0.988 17.894 1.00 27.31 C ATOM 99 O ALA A 34 -2.966 0.659 18.375 1.00 22.48 O ATOM 100 CB ALA A 34 -0.484 2.831 18.883 1.00 22.96 C ATOM 101 H ALA A 34 1.346 1.195 18.079 1.00 0.00 H ATOM 102 N PHE A 35 -1.661 1.088 16.580 1.00 20.93 N ATOM 103 CA PHE A 35 -2.761 0.865 15.641 1.00 25.36 C ATOM 104 C PHE A 35 -3.208 -0.591 15.520 1.00 20.60 C ATOM 105 O PHE A 35 -4.408 -0.855 15.422 1.00 22.55 O ATOM 106 CB PHE A 35 -2.486 1.490 14.265 1.00 19.20 C ATOM 107 CG PHE A 35 -2.766 2.964 14.221 1.00 23.29 C ATOM 108 CD1 PHE A 35 -4.075 3.435 14.227 1.00 25.90 C ATOM 109 CD2 PHE A 35 -1.727 3.884 14.216 1.00 23.24 C ATOM 110 CE1 PHE A 35 -4.350 4.805 14.206 1.00 23.93 C ATOM 111 CE2 PHE A 35 -1.986 5.261 14.188 1.00 22.63 C ATOM 112 CZ PHE A 35 -3.306 5.724 14.182 1.00 27.52 C ATOM 113 H PHE A 35 -0.713 1.325 16.223 1.00 0.00 H ATOM 114 N PHE A 36 -2.253 -1.520 15.496 1.00 18.65 N ATOM 115 CA PHE A 36 -2.589 -2.938 15.485 1.00 21.78 C ATOM 116 C PHE A 36 -3.319 -3.300 16.775 1.00 22.67 C ATOM 117 O PHE A 36 -4.256 -4.098 16.754 1.00 15.94 O ATOM 118 CB PHE A 36 -1.335 -3.806 15.341 1.00 21.34 C ATOM 119 CG PHE A 36 -0.846 -3.943 13.910 1.00 26.50 C ATOM 120 CD1 PHE A 36 -0.831 -5.181 13.288 1.00 30.13 C ATOM 121 CD2 PHE A 36 -0.431 -2.829 13.190 1.00 21.01 C ATOM 122 CE1 PHE A 36 -0.392 -5.315 11.963 1.00 25.05 C ATOM 123 CE2 PHE A 36 0.014 -2.953 11.883 1.00 28.28 C ATOM 124 CZ PHE A 36 0.039 -4.213 11.271 1.00 18.20 C ATOM 125 H PHE A 36 -1.255 -1.229 15.485 1.00 0.00 H ATOM 126 N ALA A 37 -2.868 -2.733 17.895 1.00 20.15 N ATOM 127 CA ALA A 37 -3.565 -2.944 19.167 1.00 21.56 C ATOM 128 C ALA A 37 -5.022 -2.495 19.074 1.00 19.51 C ATOM 129 O ALA A 37 -5.932 -3.235 19.444 1.00 27.43 O ATOM 130 CB ALA A 37 -2.849 -2.206 20.297 1.00 22.62 C ATOM 131 H ALA A 37 -2.016 -2.137 17.865 1.00 0.00 H ATOM 132 N ARG A 38 -5.252 -1.288 18.570 1.00 20.11 N ATOM 133 CA ARG A 38 -6.622 -0.764 18.469 1.00 22.50 C ATOM 134 C ARG A 38 -7.560 -1.493 17.494 1.00 26.81 C ATOM 135 O ARG A 38 -8.728 -1.714 17.800 1.00 24.80 O ATOM 136 CB ARG A 38 -6.604 0.736 18.180 1.00 24.32 C ATOM 137 CG ARG A 38 -6.153 1.549 19.405 1.00 21.73 C ATOM 138 CD ARG A 38 -6.189 3.016 19.150 1.00 27.20 C ATOM 139 NE ARG A 38 -7.526 3.454 18.795 1.00 23.59 N ATOM 140 CZ ARG A 38 -8.499 3.700 19.667 1.00 34.14 C ATOM 141 NH1 ARG A 38 -8.291 3.562 20.978 1.00 27.61 N ATOM 142 NH2 ARG A 38 -9.692 4.093 19.221 1.00 39.40 N ATOM 143 HE ARG A 38 -7.739 3.585 17.785 1.00 0.00 H ATOM 144 HH12 ARG A 38 -9.060 3.757 21.650 1.00 0.00 H ATOM 145 HH11 ARG A 38 -7.360 3.259 21.328 1.00 0.00 H ATOM 146 HH22 ARG A 38 -10.460 4.288 19.894 1.00 0.00 H ATOM 147 HH21 ARG A 38 -9.855 4.204 18.200 1.00 0.00 H ATOM 148 H ARG A 38 -4.454 -0.707 18.243 1.00 0.00 H ATOM 149 N PHE A 39 -7.051 -1.868 16.327 1.00 23.98 N ATOM 150 CA PHE A 39 -7.865 -2.581 15.336 1.00 27.36 C ATOM 151 C PHE A 39 -8.051 -4.048 15.711 1.00 27.36 C ATOM 152 O PHE A 39 -9.005 -4.691 15.288 1.00 25.68 O ATOM 153 CB PHE A 39 -7.250 -2.451 13.931 1.00 17.81 C ATOM 154 CG PHE A 39 -7.548 -1.141 13.270 1.00 28.67 C ATOM 155 CD1 PHE A 39 -8.478 -1.064 12.244 1.00 30.77 C ATOM 156 CD2 PHE A 39 -6.927 0.031 13.703 1.00 27.62 C ATOM 157 CE1 PHE A 39 -8.777 0.162 11.642 1.00 32.45 C ATOM 158 CE2 PHE A 39 -7.204 1.245 13.102 1.00 30.00 C ATOM 159 CZ PHE A 39 -8.139 1.312 12.065 1.00 37.18 C ATOM 160 H PHE A 39 -6.057 -1.652 16.111 1.00 0.00 H ATOM 161 N GLY A 40 -7.134 -4.572 16.516 1.00 31.44 N ATOM 162 CA GLY A 40 -7.206 -5.963 16.928 1.00 33.46 C ATOM 163 C GLY A 40 -7.795 -6.116 18.316 1.00 36.56 C ATOM 164 O GLY A 40 -8.701 -5.372 18.701 1.00 31.60 O ATOM 165 H GLY A 40 -6.352 -3.977 16.857 1.00 0.00 H ATOM 166 N ARG A 41 -7.287 -7.089 19.066 1.00 30.17 N ATOM 167 CA ARG A 41 -7.664 -7.233 20.463 1.00 30.84 C ATOM 168 C ARG A 41 -6.544 -7.871 21.268 1.00 30.51 C ATOM 169 O ARG A 41 -5.533 -8.299 20.718 1.00 30.60 O ATOM 170 CB ARG A 41 -8.940 -8.048 20.597 1.00 30.87 C ATOM 171 CG ARG A 41 -8.889 -9.368 19.879 1.00 29.81 C ATOM 172 CD ARG A 41 -9.810 -10.321 20.559 1.00 38.57 C ATOM 173 NE ARG A 41 -9.536 -10.319 21.993 1.00 50.48 N ATOM 174 CZ ARG A 41 -10.425 -10.632 22.929 1.00 46.91 C ATOM 175 NH1 ARG A 41 -11.660 -10.981 22.585 1.00 45.30 N ATOM 176 NH2 ARG A 41 -10.072 -10.599 24.205 1.00 40.28 N ATOM 177 HE ARG A 41 -8.579 -10.054 22.303 1.00 0.00 H ATOM 178 HH12 ARG A 41 -12.355 -11.226 23.319 1.00 0.00 H ATOM 179 HH11 ARG A 41 -11.932 -11.009 21.582 1.00 0.00 H ATOM 180 HH22 ARG A 41 -10.764 -10.843 24.942 1.00 0.00 H ATOM 181 HH21 ARG A 41 -9.103 -10.329 24.470 1.00 0.00 H ATOM 182 H ARG A 41 -6.609 -7.758 18.647 1.00 0.00 H HETATM 183 N MSE A 42 -6.721 -7.930 22.578 1.00 19.86 N HETATM 184 CA MSE A 42 -5.667 -8.443 23.453 1.00 23.30 C HETATM 185 C MSE A 42 -6.002 -9.858 23.865 1.00 19.32 C HETATM 186 O MSE A 42 -7.171 -10.240 23.956 1.00 22.79 O HETATM 187 CB MSE A 42 -5.501 -7.560 24.703 1.00 27.05 C HETATM 188 CG MSE A 42 -5.265 -6.082 24.394 1.00 32.62 C HETATM 189 SE MSE A 42 -3.765 -5.796 23.173 1.00 30.11 S HETATM 190 CE MSE A 42 -2.386 -6.579 24.279 1.00 15.89 C HETATM 191 H MSE A 42 -7.620 -7.608 22.990 1.00 0.00 H ATOM 192 N ARG A 43 -4.966 -10.625 24.147 1.00 21.10 N ATOM 193 CA ARG A 43 -5.128 -12.032 24.450 1.00 29.88 C ATOM 194 C ARG A 43 -4.095 -12.396 25.506 1.00 31.77 C ATOM 195 O ARG A 43 -2.903 -12.122 25.347 1.00 33.04 O ATOM 196 CB ARG A 43 -4.927 -12.852 23.167 1.00 38.79 C ATOM 197 CG ARG A 43 -5.685 -14.166 23.106 1.00 39.73 C ATOM 198 CD ARG A 43 -7.191 -13.981 23.254 1.00 32.87 C ATOM 199 NE ARG A 43 -7.921 -13.826 21.994 1.00 24.18 N ATOM 200 CZ ARG A 43 -9.252 -13.863 21.909 1.00 26.46 C ATOM 201 NH1 ARG A 43 -9.978 -14.057 23.004 1.00 30.51 N ATOM 202 NH2 ARG A 43 -9.870 -13.713 20.746 1.00 24.29 N ATOM 203 HE ARG A 43 -7.374 -13.680 21.121 1.00 0.00 H ATOM 204 HH12 ARG A 43 -11.016 -14.086 22.941 1.00 0.00 H ATOM 205 HH11 ARG A 43 -9.509 -14.180 23.924 1.00 0.00 H ATOM 206 HH22 ARG A 43 -10.909 -13.745 20.701 1.00 0.00 H ATOM 207 HH21 ARG A 43 -9.316 -13.563 19.878 1.00 0.00 H ATOM 208 H ARG A 43 -4.012 -10.210 24.152 1.00 0.00 H ATOM 209 N GLU A 44 -4.555 -12.989 26.598 1.00 25.16 N ATOM 210 CA GLU A 44 -3.642 -13.460 27.627 1.00 22.79 C ATOM 211 C GLU A 44 -3.408 -14.927 27.410 1.00 30.20 C ATOM 212 O GLU A 44 -4.314 -15.654 27.016 1.00 37.89 O ATOM 213 CB GLU A 44 -4.229 -13.230 29.021 1.00 30.54 C ATOM 214 CG GLU A 44 -4.252 -11.771 29.422 1.00 43.73 C ATOM 215 CD GLU A 44 -5.070 -11.515 30.667 1.00 55.10 C ATOM 216 OE1 GLU A 44 -5.325 -12.477 31.423 1.00 54.22 O ATOM 217 OE2 GLU A 44 -5.462 -10.346 30.881 1.00 61.07 O ATOM 218 H GLU A 44 -5.580 -13.119 26.720 1.00 0.00 H ATOM 219 N ILE A 45 -2.186 -15.374 27.635 1.00 25.68 N ATOM 220 CA ILE A 45 -1.930 -16.785 27.498 1.00 23.80 C ATOM 221 C ILE A 45 -0.978 -17.258 28.585 1.00 23.65 C ATOM 222 O ILE A 45 0.064 -16.649 28.833 1.00 28.20 O ATOM 223 CB ILE A 45 -1.500 -17.169 26.045 1.00 26.73 C ATOM 224 CG1 ILE A 45 -1.216 -18.666 25.951 1.00 24.70 C ATOM 225 CG2 ILE A 45 -0.331 -16.315 25.536 1.00 19.31 C ATOM 226 CD1 ILE A 45 -0.482 -19.052 24.683 1.00 36.22 C ATOM 227 H ILE A 45 -1.424 -14.720 27.906 1.00 0.00 H ATOM 228 N ALA A 46 -1.372 -18.318 29.277 1.00 33.30 N ATOM 229 CA ALA A 46 -0.600 -18.782 30.427 1.00 34.67 C ATOM 230 C ALA A 46 0.676 -19.499 30.004 1.00 33.72 C ATOM 231 O ALA A 46 0.758 -20.050 28.899 1.00 39.75 O ATOM 232 CB ALA A 46 -1.462 -19.687 31.333 1.00 32.85 C ATOM 233 H ALA A 46 -2.238 -18.823 28.999 1.00 0.00 H ATOM 234 N ALA A 47 1.664 -19.479 30.894 1.00 32.95 N ATOM 235 CA ALA A 47 2.886 -20.258 30.750 1.00 29.29 C ATOM 236 C ALA A 47 2.575 -21.713 30.409 1.00 40.11 C ATOM 237 O ALA A 47 1.776 -22.357 31.081 1.00 44.57 O ATOM 238 CB ALA A 47 3.693 -20.185 32.032 1.00 32.30 C ATOM 239 H ALA A 47 1.559 -18.877 31.735 1.00 0.00 H ATOM 240 N GLY A 48 3.198 -22.226 29.353 1.00 40.66 N ATOM 241 CA GLY A 48 3.008 -23.610 28.964 1.00 33.03 C ATOM 242 C GLY A 48 1.877 -23.853 27.985 1.00 38.08 C ATOM 243 O GLY A 48 1.796 -24.921 27.389 1.00 38.02 O ATOM 244 H GLY A 48 3.835 -21.623 28.794 1.00 0.00 H ATOM 245 N GLN A 49 1.008 -22.865 27.795 1.00 40.85 N ATOM 246 CA GLN A 49 -0.138 -23.041 26.906 1.00 30.28 C ATOM 247 C GLN A 49 0.213 -22.892 25.431 1.00 31.02 C ATOM 248 O GLN A 49 1.004 -22.034 25.045 1.00 29.12 O ATOM 249 CB GLN A 49 -1.249 -22.052 27.253 1.00 37.78 C ATOM 250 CG GLN A 49 -1.734 -22.139 28.684 1.00 37.05 C ATOM 251 CD GLN A 49 -2.165 -23.542 29.078 1.00 55.91 C ATOM 252 OE1 GLN A 49 -3.003 -24.160 28.415 1.00 57.91 O ATOM 253 NE2 GLN A 49 -1.591 -24.054 30.169 1.00 63.95 N ATOM 254 HE22 GLN A 49 -0.889 -23.497 30.697 1.00 0.00 H ATOM 255 HE21 GLN A 49 -1.845 -25.010 30.491 1.00 0.00 H ATOM 256 H GLN A 49 1.145 -21.958 28.284 1.00 0.00 H ATOM 257 N ALA A 50 -0.406 -23.722 24.603 1.00 34.55 N ATOM 258 CA ALA A 50 -0.240 -23.607 23.169 1.00 39.24 C ATOM 259 C ALA A 50 -1.187 -22.536 22.639 1.00 38.54 C ATOM 260 O ALA A 50 -2.327 -22.416 23.102 1.00 37.89 O ATOM 261 CB ALA A 50 -0.515 -24.943 22.506 1.00 37.50 C ATOM 262 H ALA A 50 -1.020 -24.467 24.989 1.00 0.00 H ATOM 263 N LEU A 51 -0.698 -21.747 21.688 1.00 28.60 N ATOM 264 CA LEU A 51 -1.519 -20.778 20.977 1.00 31.10 C ATOM 265 C LEU A 51 -2.061 -21.432 19.707 1.00 35.06 C ATOM 266 O LEU A 51 -3.250 -21.317 19.380 1.00 27.44 O ATOM 267 CB LEU A 51 -0.688 -19.549 20.626 1.00 34.66 C ATOM 268 CG LEU A 51 -1.410 -18.420 19.897 1.00 29.98 C ATOM 269 CD1 LEU A 51 -2.482 -17.824 20.805 1.00 31.05 C ATOM 270 CD2 LEU A 51 -0.397 -17.354 19.446 1.00 26.27 C ATOM 271 H LEU A 51 0.310 -21.825 21.442 1.00 0.00 H ATOM 272 N PHE A 52 -1.173 -22.119 18.995 1.00 27.52 N ATOM 273 CA PHE A 52 -1.579 -22.968 17.887 1.00 29.00 C ATOM 274 C PHE A 52 -0.542 -24.045 17.557 1.00 34.41 C ATOM 275 O PHE A 52 0.631 -23.945 17.944 1.00 29.95 O ATOM 276 CB PHE A 52 -1.933 -22.153 16.631 1.00 34.01 C ATOM 277 CG PHE A 52 -0.847 -21.221 16.168 1.00 23.82 C ATOM 278 CD1 PHE A 52 0.271 -21.700 15.509 1.00 24.47 C ATOM 279 CD2 PHE A 52 -0.970 -19.864 16.357 1.00 23.82 C ATOM 280 CE1 PHE A 52 1.255 -20.843 15.075 1.00 24.67 C ATOM 281 CE2 PHE A 52 -0.005 -19.005 15.917 1.00 25.77 C ATOM 282 CZ PHE A 52 1.116 -19.491 15.271 1.00 30.48 C ATOM 283 H PHE A 52 -0.164 -22.047 19.236 1.00 0.00 H ATOM 284 N GLU A 53 -0.996 -25.075 16.844 1.00 34.02 N ATOM 285 CA GLU A 53 -0.146 -26.193 16.462 1.00 33.00 C ATOM 286 C GLU A 53 0.363 -26.044 15.050 1.00 34.27 C ATOM 287 O GLU A 53 -0.323 -25.485 14.180 1.00 34.27 O ATOM 288 CB GLU A 53 -0.921 -27.506 16.567 1.00 41.49 C ATOM 289 CG GLU A 53 -1.506 -27.754 17.942 1.00 44.39 C ATOM 290 CD GLU A 53 -0.456 -27.680 19.032 1.00 52.98 C ATOM 291 OE1 GLU A 53 0.688 -28.131 18.798 1.00 56.09 O ATOM 292 OE2 GLU A 53 -0.772 -27.161 20.122 1.00 58.78 O ATOM 293 H GLU A 53 -1.994 -25.080 16.550 1.00 0.00 H ATOM 294 N ARG A 54 1.569 -26.560 14.823 1.00 34.67 N ATOM 295 CA ARG A 54 2.161 -26.558 13.498 1.00 35.24 C ATOM 296 C ARG A 54 1.287 -27.366 12.545 1.00 37.51 C ATOM 297 O ARG A 54 0.847 -28.464 12.878 1.00 36.47 O ATOM 298 CB ARG A 54 3.569 -27.161 13.536 1.00 41.82 C ATOM 299 CG ARG A 54 4.300 -27.126 12.193 1.00 43.32 C ATOM 300 CD ARG A 54 5.766 -27.534 12.329 1.00 48.47 C ATOM 301 NE ARG A 54 5.914 -28.978 12.486 1.00 57.29 N ATOM 302 CZ ARG A 54 6.129 -29.590 13.647 1.00 70.02 C ATOM 303 NH1 ARG A 54 6.242 -30.913 13.680 1.00 76.09 N ATOM 304 NH2 ARG A 54 6.240 -28.882 14.771 1.00 66.35 N ATOM 305 HE ARG A 54 5.847 -29.568 11.632 1.00 0.00 H ATOM 306 HH12 ARG A 54 6.410 -31.398 14.584 1.00 0.00 H ATOM 307 HH11 ARG A 54 6.162 -31.464 12.801 1.00 0.00 H ATOM 308 HH22 ARG A 54 6.408 -29.366 15.676 1.00 0.00 H ATOM 309 HH21 ARG A 54 6.158 -27.846 14.743 1.00 0.00 H ATOM 310 H ARG A 54 2.100 -26.975 15.615 1.00 0.00 H ATOM 311 N GLY A 55 1.023 -26.809 11.368 1.00 43.04 N ATOM 312 CA GLY A 55 0.232 -27.496 10.366 1.00 44.10 C ATOM 313 C GLY A 55 -1.236 -27.113 10.378 1.00 42.88 C ATOM 314 O GLY A 55 -1.989 -27.509 9.492 1.00 43.83 O ATOM 315 H GLY A 55 1.392 -25.859 11.161 1.00 0.00 H ATOM 316 N ALA A 56 -1.648 -26.339 11.374 1.00 37.08 N ATOM 317 CA ALA A 56 -3.054 -25.992 11.509 1.00 35.28 C ATOM 318 C ALA A 56 -3.440 -24.841 10.583 1.00 40.00 C ATOM 319 O ALA A 56 -2.586 -24.126 10.070 1.00 36.75 O ATOM 320 CB ALA A 56 -3.403 -25.659 12.962 1.00 28.11 C ATOM 321 H ALA A 56 -0.959 -25.977 12.064 1.00 0.00 H ATOM 322 N VAL A 57 -4.742 -24.705 10.357 1.00 36.64 N ATOM 323 CA VAL A 57 -5.307 -23.557 9.683 1.00 34.37 C ATOM 324 C VAL A 57 -5.134 -22.388 10.639 1.00 33.67 C ATOM 325 O VAL A 57 -5.121 -22.573 11.852 1.00 26.82 O ATOM 326 CB VAL A 57 -6.811 -23.798 9.389 1.00 49.67 C ATOM 327 CG1 VAL A 57 -7.540 -24.199 10.657 1.00 46.72 C ATOM 328 CG2 VAL A 57 -7.464 -22.570 8.780 1.00 58.49 C ATOM 329 H VAL A 57 -5.383 -25.458 10.679 1.00 0.00 H ATOM 330 N GLY A 58 -4.976 -21.181 10.118 1.00 35.91 N ATOM 331 CA GLY A 58 -4.875 -20.030 11.001 1.00 28.70 C ATOM 332 C GLY A 58 -4.880 -18.751 10.200 1.00 26.76 C ATOM 333 O GLY A 58 -4.054 -18.582 9.314 1.00 29.91 O ATOM 334 H GLY A 58 -4.925 -21.057 9.087 1.00 0.00 H ATOM 335 N THR A 59 -5.804 -17.849 10.509 1.00 26.14 N ATOM 336 CA THR A 59 -5.967 -16.651 9.704 1.00 35.20 C ATOM 337 C THR A 59 -5.691 -15.373 10.496 1.00 31.74 C ATOM 338 O THR A 59 -5.963 -14.277 10.023 1.00 29.33 O ATOM 339 CB THR A 59 -7.379 -16.581 9.121 1.00 36.63 C ATOM 340 OG1 THR A 59 -8.321 -16.616 10.199 1.00 34.63 O ATOM 341 CG2 THR A 59 -7.624 -17.774 8.197 1.00 39.75 C ATOM 342 HG1 THR A 59 -8.207 -17.458 10.708 1.00 0.00 H ATOM 343 H THR A 59 -6.417 -18.002 11.335 1.00 0.00 H ATOM 344 N GLN A 60 -5.148 -15.501 11.698 1.00 21.95 N ATOM 345 CA GLN A 60 -4.799 -14.300 12.445 1.00 29.28 C ATOM 346 C GLN A 60 -3.311 -14.268 12.694 1.00 23.73 C ATOM 347 O GLN A 60 -2.666 -15.313 12.727 1.00 28.98 O ATOM 348 CB GLN A 60 -5.547 -14.235 13.777 1.00 30.05 C ATOM 349 CG GLN A 60 -5.294 -15.418 14.629 1.00 38.56 C ATOM 350 CD GLN A 60 -6.427 -16.398 14.595 1.00 44.53 C ATOM 351 OE1 GLN A 60 -6.448 -17.314 13.770 1.00 44.27 O ATOM 352 NE2 GLN A 60 -7.384 -16.222 15.504 1.00 43.86 N ATOM 353 HE22 GLN A 60 -7.321 -15.434 16.179 1.00 0.00 H ATOM 354 HE21 GLN A 60 -8.194 -16.873 15.539 1.00 0.00 H ATOM 355 H GLN A 60 -4.974 -16.444 12.102 1.00 0.00 H HETATM 356 N MSE A 61 -2.763 -13.062 12.842 1.00 23.38 N HETATM 357 CA MSE A 61 -1.377 -12.910 13.249 1.00 19.90 C HETATM 358 C MSE A 61 -1.351 -12.393 14.671 1.00 25.47 C HETATM 359 O MSE A 61 -2.384 -11.987 15.219 1.00 30.29 O HETATM 360 CB MSE A 61 -0.632 -11.924 12.361 1.00 19.19 C HETATM 361 CG MSE A 61 -1.169 -10.510 12.435 1.00 23.10 C HETATM 362 SE MSE A 61 0.050 -9.293 11.548 1.00 32.86 S HETATM 363 CE MSE A 61 1.467 -9.197 12.880 1.00 27.61 C HETATM 364 H MSE A 61 -3.338 -12.214 12.663 1.00 0.00 H ATOM 365 N PHE A 62 -0.160 -12.378 15.252 1.00 22.25 N ATOM 366 CA PHE A 62 0.001 -11.988 16.648 1.00 23.48 C ATOM 367 C PHE A 62 1.202 -11.089 16.885 1.00 26.41 C ATOM 368 O PHE A 62 2.239 -11.245 16.251 1.00 24.62 O ATOM 369 CB PHE A 62 0.146 -13.236 17.512 1.00 22.87 C ATOM 370 CG PHE A 62 -1.048 -14.127 17.472 1.00 29.28 C ATOM 371 CD1 PHE A 62 -2.125 -13.895 18.317 1.00 27.98 C ATOM 372 CD2 PHE A 62 -1.109 -15.190 16.579 1.00 16.97 C ATOM 373 CE1 PHE A 62 -3.243 -14.718 18.277 1.00 31.38 C ATOM 374 CE2 PHE A 62 -2.218 -16.011 16.535 1.00 24.87 C ATOM 375 CZ PHE A 62 -3.289 -15.774 17.381 1.00 27.34 C ATOM 376 H PHE A 62 0.678 -12.650 14.700 1.00 0.00 H ATOM 377 N ILE A 63 1.068 -10.158 17.824 1.00 25.87 N ATOM 378 CA ILE A 63 2.233 -9.426 18.312 1.00 26.31 C ATOM 379 C ILE A 63 2.430 -9.656 19.819 1.00 26.93 C ATOM 380 O ILE A 63 1.499 -9.468 20.623 1.00 19.02 O ATOM 381 CB ILE A 63 2.132 -7.909 18.011 1.00 20.61 C ATOM 382 CG1 ILE A 63 1.814 -7.662 16.523 1.00 24.57 C ATOM 383 CG2 ILE A 63 3.407 -7.221 18.421 1.00 15.95 C ATOM 384 CD1 ILE A 63 1.050 -6.362 16.242 1.00 16.83 C ATOM 385 H ILE A 63 0.127 -9.950 18.214 1.00 0.00 H ATOM 386 N VAL A 64 3.631 -10.079 20.198 1.00 25.21 N ATOM 387 CA VAL A 64 3.970 -10.205 21.615 1.00 18.80 C ATOM 388 C VAL A 64 4.093 -8.814 22.252 1.00 22.37 C ATOM 389 O VAL A 64 4.831 -7.958 21.755 1.00 19.71 O ATOM 390 CB VAL A 64 5.307 -10.955 21.816 1.00 20.50 C ATOM 391 CG1 VAL A 64 5.550 -11.276 23.311 1.00 12.28 C ATOM 392 CG2 VAL A 64 5.354 -12.246 20.964 1.00 18.40 C ATOM 393 H VAL A 64 4.340 -10.324 19.477 1.00 0.00 H ATOM 394 N VAL A 65 3.385 -8.570 23.352 1.00 21.90 N ATOM 395 CA VAL A 65 3.648 -7.330 24.100 1.00 17.51 C ATOM 396 C VAL A 65 4.194 -7.575 25.512 1.00 18.79 C ATOM 397 O VAL A 65 4.824 -6.705 26.089 1.00 26.35 O ATOM 398 CB VAL A 65 2.447 -6.371 24.136 1.00 21.74 C ATOM 399 CG1 VAL A 65 1.956 -6.054 22.696 1.00 20.18 C ATOM 400 CG2 VAL A 65 1.334 -6.926 24.996 1.00 18.59 C ATOM 401 H VAL A 65 2.661 -9.242 23.677 1.00 0.00 H ATOM 402 N THR A 66 3.952 -8.758 26.065 1.00 21.00 N ATOM 403 CA THR A 66 4.615 -9.153 27.293 1.00 25.59 C ATOM 404 C THR A 66 4.957 -10.621 27.205 1.00 25.68 C ATOM 405 O THR A 66 4.243 -11.379 26.553 1.00 27.55 O ATOM 406 CB THR A 66 3.720 -8.963 28.548 1.00 29.80 C ATOM 407 OG1 THR A 66 2.950 -10.142 28.770 1.00 35.60 O ATOM 408 CG2 THR A 66 2.770 -7.800 28.391 1.00 33.26 C ATOM 409 HG1 THR A 66 3.558 -10.910 28.913 1.00 0.00 H ATOM 410 H THR A 66 3.279 -9.409 25.612 1.00 0.00 H ATOM 411 N GLY A 67 6.049 -11.018 27.855 1.00 21.56 N ATOM 412 CA GLY A 67 6.405 -12.419 27.971 1.00 22.67 C ATOM 413 C GLY A 67 7.181 -12.906 26.758 1.00 28.38 C ATOM 414 O GLY A 67 8.004 -12.181 26.195 1.00 26.14 O ATOM 415 H GLY A 67 6.664 -10.303 28.292 1.00 0.00 H ATOM 416 N GLN A 68 6.916 -14.143 26.348 1.00 24.62 N ATOM 417 CA GLN A 68 7.690 -14.737 25.264 1.00 30.46 C ATOM 418 C GLN A 68 6.962 -15.896 24.598 1.00 27.41 C ATOM 419 O GLN A 68 6.425 -16.775 25.270 1.00 26.36 O ATOM 420 CB GLN A 68 9.060 -15.180 25.781 1.00 35.41 C ATOM 421 CG GLN A 68 9.898 -15.997 24.801 1.00 33.87 C ATOM 422 CD GLN A 68 11.177 -16.483 25.452 1.00 32.65 C ATOM 423 OE1 GLN A 68 12.005 -15.674 25.884 1.00 34.49 O ATOM 424 NE2 GLN A 68 11.334 -17.805 25.558 1.00 27.27 N ATOM 425 HE22 GLN A 68 10.609 -18.447 25.179 1.00 0.00 H ATOM 426 HE21 GLN A 68 12.181 -18.193 26.020 1.00 0.00 H ATOM 427 H GLN A 68 6.155 -14.688 26.801 1.00 0.00 H ATOM 428 N ILE A 69 6.941 -15.891 23.266 1.00 21.41 N ATOM 429 CA ILE A 69 6.343 -16.983 22.538 1.00 11.88 C ATOM 430 C ILE A 69 7.444 -17.813 21.899 1.00 20.77 C ATOM 431 O ILE A 69 8.382 -17.265 21.323 1.00 22.49 O ATOM 432 CB ILE A 69 5.389 -16.486 21.448 1.00 19.40 C ATOM 433 CG1 ILE A 69 4.102 -15.933 22.071 1.00 18.99 C ATOM 434 CG2 ILE A 69 5.067 -17.625 20.445 1.00 22.92 C ATOM 435 CD1 ILE A 69 3.374 -16.942 22.963 1.00 23.64 C ATOM 436 H ILE A 69 7.359 -15.093 22.747 1.00 0.00 H ATOM 437 N ASP A 70 7.330 -19.133 21.995 1.00 21.53 N ATOM 438 CA ASP A 70 8.298 -20.021 21.357 1.00 27.52 C ATOM 439 C ASP A 70 7.714 -20.643 20.099 1.00 21.30 C ATOM 440 O ASP A 70 6.612 -21.194 20.124 1.00 27.15 O ATOM 441 CB ASP A 70 8.753 -21.132 22.315 1.00 31.19 C ATOM 442 CG ASP A 70 9.603 -20.600 23.468 1.00 34.34 C ATOM 443 OD1 ASP A 70 9.973 -19.403 23.440 1.00 26.32 O ATOM 444 OD2 ASP A 70 9.908 -21.380 24.395 1.00 42.95 O ATOM 445 H ASP A 70 6.539 -19.541 22.533 1.00 0.00 H ATOM 446 N LEU A 71 8.462 -20.546 19.009 1.00 19.36 N ATOM 447 CA LEU A 71 8.077 -21.171 17.754 1.00 24.11 C ATOM 448 C LEU A 71 8.822 -22.495 17.547 1.00 27.76 C ATOM 449 O LEU A 71 10.052 -22.542 17.569 1.00 27.87 O ATOM 450 CB LEU A 71 8.333 -20.221 16.587 1.00 17.52 C ATOM 451 CG LEU A 71 7.639 -18.867 16.719 1.00 20.60 C ATOM 452 CD1 LEU A 71 7.902 -18.000 15.486 1.00 19.69 C ATOM 453 CD2 LEU A 71 6.150 -19.057 16.957 1.00 23.76 C ATOM 454 H LEU A 71 9.350 -20.007 19.053 1.00 0.00 H ATOM 455 N ASP A 72 8.060 -23.564 17.331 1.00 24.04 N ATOM 456 CA ASP A 72 8.628 -24.897 17.122 1.00 29.37 C ATOM 457 C ASP A 72 8.396 -25.344 15.678 1.00 27.58 C ATOM 458 O ASP A 72 7.282 -25.687 15.294 1.00 26.02 O ATOM 459 CB ASP A 72 8.009 -25.892 18.110 1.00 27.83 C ATOM 460 CG ASP A 72 8.707 -27.247 18.107 1.00 36.28 C ATOM 461 OD1 ASP A 72 9.385 -27.604 17.116 1.00 37.73 O ATOM 462 OD2 ASP A 72 8.560 -27.973 19.112 1.00 42.59 O ATOM 463 H ASP A 72 7.027 -23.449 17.310 1.00 0.00 H ATOM 464 N PHE A 73 9.463 -25.357 14.891 1.00 31.04 N ATOM 465 CA PHE A 73 9.349 -25.659 13.474 1.00 29.98 C ATOM 466 C PHE A 73 9.462 -27.132 13.137 1.00 29.38 C ATOM 467 O PHE A 73 9.551 -27.491 11.964 1.00 35.69 O ATOM 468 CB PHE A 73 10.395 -24.884 12.690 1.00 24.05 C ATOM 469 CG PHE A 73 10.185 -23.416 12.725 1.00 33.08 C ATOM 470 CD1 PHE A 73 9.530 -22.774 11.691 1.00 26.42 C ATOM 471 CD2 PHE A 73 10.615 -22.673 13.804 1.00 36.79 C ATOM 472 CE1 PHE A 73 9.317 -21.422 11.735 1.00 29.11 C ATOM 473 CE2 PHE A 73 10.412 -21.312 13.841 1.00 35.09 C ATOM 474 CZ PHE A 73 9.767 -20.689 12.812 1.00 27.57 C ATOM 475 H PHE A 73 10.398 -25.147 15.295 1.00 0.00 H ATOM 476 N GLY A 74 9.475 -27.980 14.157 1.00 36.55 N ATOM 477 CA GLY A 74 9.556 -29.409 13.925 1.00 35.83 C ATOM 478 C GLY A 74 10.940 -29.824 13.461 1.00 45.69 C ATOM 479 O GLY A 74 11.883 -29.011 13.456 1.00 41.56 O ATOM 480 H GLY A 74 9.427 -27.617 15.130 1.00 0.00 H ATOM 481 N GLU A 75 11.051 -31.088 13.054 1.00 46.39 N ATOM 482 CA GLU A 75 12.343 -31.714 12.791 1.00 60.26 C ATOM 483 C GLU A 75 13.283 -31.483 13.976 1.00 60.38 C ATOM 484 O GLU A 75 12.885 -31.604 15.140 1.00 63.19 O ATOM 485 CB GLU A 75 12.970 -31.200 11.487 1.00 68.99 C ATOM 486 CG GLU A 75 12.208 -31.583 10.221 1.00 76.66 C ATOM 487 CD GLU A 75 11.371 -30.437 9.666 1.00 83.14 C ATOM 488 OE1 GLU A 75 11.851 -29.732 8.753 1.00 86.02 O ATOM 489 OE2 GLU A 75 10.231 -30.240 10.139 1.00 83.26 O ATOM 490 H GLU A 75 10.186 -31.649 12.919 1.00 0.00 H ATOM 491 N ASP A 76 14.521 -31.122 13.674 1.00 46.08 N ATOM 492 CA ASP A 76 15.519 -30.931 14.713 1.00 34.07 C ATOM 493 C ASP A 76 15.994 -29.492 14.746 1.00 31.37 C ATOM 494 O ASP A 76 17.107 -29.192 15.181 1.00 33.43 O ATOM 495 CB ASP A 76 16.669 -31.891 14.479 1.00 30.85 C ATOM 496 CG ASP A 76 16.275 -33.323 14.765 1.00 42.58 C ATOM 497 OD1 ASP A 76 16.903 -34.253 14.214 1.00 36.15 O ATOM 498 OD2 ASP A 76 15.317 -33.507 15.548 1.00 49.83 O ATOM 499 H ASP A 76 14.783 -30.973 12.679 1.00 0.00 H ATOM 500 N LEU A 77 15.126 -28.604 14.280 1.00 33.85 N ATOM 501 CA LEU A 77 15.464 -27.199 14.166 1.00 36.78 C ATOM 502 C LEU A 77 15.505 -26.525 15.530 1.00 32.23 C ATOM 503 O LEU A 77 14.837 -26.949 16.472 1.00 35.61 O ATOM 504 CB LEU A 77 14.459 -26.497 13.253 1.00 42.15 C ATOM 505 CG LEU A 77 14.435 -27.087 11.842 1.00 46.67 C ATOM 506 CD1 LEU A 77 13.259 -26.549 11.033 1.00 40.72 C ATOM 507 CD2 LEU A 77 15.764 -26.811 11.141 1.00 44.39 C ATOM 508 H LEU A 77 14.180 -28.923 13.989 1.00 0.00 H HETATM 509 N MSE A 78 16.323 -25.487 15.624 1.00 27.54 N HETATM 510 CA MSE A 78 16.330 -24.591 16.771 1.00 30.97 C HETATM 511 C MSE A 78 14.941 -24.001 17.007 1.00 32.68 C HETATM 512 O MSE A 78 14.209 -23.701 16.055 1.00 30.56 O HETATM 513 CB MSE A 78 17.299 -23.438 16.498 1.00 37.47 C HETATM 514 CG MSE A 78 18.753 -23.834 16.484 1.00 41.48 C HETATM 515 SE MSE A 78 19.353 -24.081 18.302 1.00 56.45 S HETATM 516 CE MSE A 78 19.485 -22.203 18.839 1.00 58.14 C HETATM 517 H MSE A 78 16.988 -25.305 14.845 1.00 0.00 H ATOM 518 N LEU A 79 14.577 -23.826 18.270 1.00 32.66 N ATOM 519 CA LEU A 79 13.405 -23.015 18.598 1.00 37.75 C ATOM 520 C LEU A 79 13.683 -21.537 18.349 1.00 37.90 C ATOM 521 O LEU A 79 14.825 -21.094 18.455 1.00 34.81 O ATOM 522 CB LEU A 79 13.004 -23.197 20.053 1.00 35.40 C ATOM 523 CG LEU A 79 12.503 -24.571 20.464 1.00 36.47 C ATOM 524 CD1 LEU A 79 12.318 -24.614 21.979 1.00 37.47 C ATOM 525 CD2 LEU A 79 11.212 -24.863 19.738 1.00 36.72 C ATOM 526 H LEU A 79 15.129 -24.268 19.033 1.00 0.00 H ATOM 527 N LYS A 80 12.636 -20.783 18.009 1.00 37.11 N ATOM 528 CA LYS A 80 12.731 -19.329 17.957 1.00 27.57 C ATOM 529 C LYS A 80 11.950 -18.729 19.108 1.00 29.66 C ATOM 530 O LYS A 80 10.839 -19.167 19.414 1.00 33.30 O ATOM 531 CB LYS A 80 12.215 -18.775 16.632 1.00 35.42 C ATOM 532 CG LYS A 80 13.218 -18.813 15.506 1.00 37.96 C ATOM 533 CD LYS A 80 12.686 -18.049 14.297 1.00 50.56 C ATOM 534 CE LYS A 80 13.688 -18.041 13.148 1.00 60.29 C ATOM 535 NZ LYS A 80 13.122 -17.417 11.910 1.00 57.94 N ATOM 536 HZ1 LYS A 80 12.284 -17.952 11.606 1.00 0.00 H ATOM 537 HZ2 LYS A 80 12.852 -16.433 12.112 1.00 0.00 H ATOM 538 HZ3 LYS A 80 13.838 -17.434 11.156 1.00 0.00 H ATOM 539 H LYS A 80 11.733 -21.242 17.776 1.00 0.00 H ATOM 540 N HIS A 81 12.544 -17.723 19.738 1.00 26.82 N ATOM 541 CA HIS A 81 11.984 -17.100 20.933 1.00 28.57 C ATOM 542 C HIS A 81 11.609 -15.676 20.608 1.00 29.13 C ATOM 543 O HIS A 81 12.458 -14.877 20.195 1.00 28.72 O ATOM 544 CB HIS A 81 13.022 -17.141 22.053 1.00 27.31 C ATOM 545 CG HIS A 81 13.593 -18.505 22.265 1.00 30.95 C ATOM 546 ND1 HIS A 81 12.885 -19.515 22.883 1.00 36.29 N ATOM 547 CD2 HIS A 81 14.778 -19.047 21.897 1.00 36.19 C ATOM 548 CE1 HIS A 81 13.622 -20.611 22.910 1.00 38.23 C ATOM 549 NE2 HIS A 81 14.776 -20.353 22.319 1.00 34.78 N ATOM 550 H HIS A 81 13.446 -17.364 19.365 1.00 0.00 H ATOM 551 N LEU A 82 10.328 -15.360 20.761 1.00 25.25 N ATOM 552 CA LEU A 82 9.852 -14.028 20.391 1.00 25.64 C ATOM 553 C LEU A 82 9.410 -13.268 21.628 1.00 22.87 C ATOM 554 O LEU A 82 8.476 -13.686 22.329 1.00 25.14 O ATOM 555 CB LEU A 82 8.719 -14.108 19.352 1.00 24.02 C ATOM 556 CG LEU A 82 9.138 -14.308 17.884 1.00 28.24 C ATOM 557 CD1 LEU A 82 9.934 -15.597 17.648 1.00 27.57 C ATOM 558 CD2 LEU A 82 7.914 -14.281 16.980 1.00 25.58 C ATOM 559 H LEU A 82 9.663 -16.061 21.145 1.00 0.00 H ATOM 560 N GLY A 83 10.102 -12.162 21.905 1.00 23.90 N ATOM 561 CA GLY A 83 9.751 -11.304 23.029 1.00 24.50 C ATOM 562 C GLY A 83 8.971 -10.063 22.606 1.00 22.65 C ATOM 563 O GLY A 83 8.663 -9.897 21.427 1.00 25.20 O ATOM 564 H GLY A 83 10.911 -11.906 21.304 1.00 0.00 H ATOM 565 N PRO A 84 8.665 -9.181 23.570 1.00 30.76 N ATOM 566 CA PRO A 84 7.787 -8.020 23.380 1.00 30.28 C ATOM 567 C PRO A 84 8.066 -7.219 22.107 1.00 25.13 C ATOM 568 O PRO A 84 9.213 -6.912 21.798 1.00 18.06 O ATOM 569 CB PRO A 84 8.075 -7.183 24.626 1.00 30.21 C ATOM 570 CG PRO A 84 8.331 -8.243 25.705 1.00 24.19 C ATOM 571 CD PRO A 84 9.044 -9.365 24.993 1.00 20.96 C ATOM 572 N GLY A 85 7.019 -6.886 21.365 1.00 24.36 N ATOM 573 CA GLY A 85 7.210 -6.140 20.131 1.00 19.95 C ATOM 574 C GLY A 85 7.487 -6.983 18.890 1.00 34.51 C ATOM 575 O GLY A 85 7.487 -6.460 17.762 1.00 31.46 O ATOM 576 H GLY A 85 6.061 -7.158 21.665 1.00 0.00 H ATOM 577 N GLU A 86 7.713 -8.284 19.069 1.00 21.05 N ATOM 578 CA GLU A 86 7.905 -9.160 17.913 1.00 26.71 C ATOM 579 C GLU A 86 6.585 -9.748 17.424 1.00 25.85 C ATOM 580 O GLU A 86 5.683 -10.029 18.222 1.00 27.09 O ATOM 581 CB GLU A 86 8.924 -10.264 18.215 1.00 31.66 C ATOM 582 CG GLU A 86 10.371 -9.772 18.275 1.00 34.99 C ATOM 583 CD GLU A 86 11.337 -10.856 18.750 1.00 33.41 C ATOM 584 OE1 GLU A 86 11.729 -11.704 17.924 1.00 27.15 O ATOM 585 OE2 GLU A 86 11.691 -10.870 19.952 1.00 35.28 O ATOM 586 H GLU A 86 7.753 -8.677 20.031 1.00 0.00 H ATOM 587 N PHE A 87 6.479 -9.934 16.112 1.00 23.67 N ATOM 588 CA PHE A 87 5.242 -10.402 15.499 1.00 24.41 C ATOM 589 C PHE A 87 5.428 -11.719 14.769 1.00 19.56 C ATOM 590 O PHE A 87 6.537 -12.081 14.399 1.00 26.78 O ATOM 591 CB PHE A 87 4.692 -9.345 14.545 1.00 29.01 C ATOM 592 CG PHE A 87 5.507 -9.174 13.296 1.00 25.52 C ATOM 593 CD1 PHE A 87 5.247 -9.949 12.166 1.00 27.62 C ATOM 594 CD2 PHE A 87 6.516 -8.228 13.236 1.00 26.20 C ATOM 595 CE1 PHE A 87 5.993 -9.793 11.007 1.00 26.85 C ATOM 596 CE2 PHE A 87 7.259 -8.057 12.071 1.00 28.91 C ATOM 597 CZ PHE A 87 6.995 -8.849 10.955 1.00 26.26 C ATOM 598 H PHE A 87 7.302 -9.740 15.506 1.00 0.00 H ATOM 599 N PHE A 88 4.339 -12.448 14.593 1.00 21.27 N ATOM 600 CA PHE A 88 4.397 -13.751 13.937 1.00 22.51 C ATOM 601 C PHE A 88 3.006 -14.127 13.500 1.00 21.37 C ATOM 602 O PHE A 88 2.028 -13.584 14.010 1.00 22.92 O ATOM 603 CB PHE A 88 4.953 -14.824 14.882 1.00 18.52 C ATOM 604 CG PHE A 88 4.135 -15.032 16.147 1.00 20.99 C ATOM 605 CD1 PHE A 88 3.220 -16.073 16.243 1.00 19.27 C ATOM 606 CD2 PHE A 88 4.310 -14.210 17.247 1.00 26.33 C ATOM 607 CE1 PHE A 88 2.485 -16.289 17.418 1.00 27.32 C ATOM 608 CE2 PHE A 88 3.574 -14.416 18.430 1.00 25.37 C ATOM 609 CZ PHE A 88 2.674 -15.450 18.520 1.00 17.63 C ATOM 610 H PHE A 88 3.423 -12.086 14.928 1.00 0.00 H ATOM 611 N GLY A 89 2.911 -15.060 12.559 1.00 20.74 N ATOM 612 CA GLY A 89 1.615 -15.506 12.092 1.00 23.71 C ATOM 613 C GLY A 89 1.053 -14.711 10.929 1.00 21.63 C ATOM 614 O GLY A 89 -0.078 -14.966 10.500 1.00 25.77 O ATOM 615 H GLY A 89 3.775 -15.474 12.154 1.00 0.00 H ATOM 616 N GLU A 90 1.835 -13.761 10.410 1.00 21.34 N ATOM 617 CA GLU A 90 1.369 -12.926 9.292 1.00 22.95 C ATOM 618 C GLU A 90 1.139 -13.750 8.018 1.00 21.14 C ATOM 619 O GLU A 90 0.286 -13.400 7.213 1.00 26.28 O ATOM 620 CB GLU A 90 2.293 -11.714 9.046 1.00 20.53 C ATOM 621 CG GLU A 90 3.595 -11.981 8.253 1.00 21.96 C ATOM 622 CD GLU A 90 4.627 -12.812 9.012 1.00 33.35 C ATOM 623 OE1 GLU A 90 4.377 -13.174 10.180 1.00 36.81 O ATOM 624 OE2 GLU A 90 5.699 -13.093 8.438 1.00 43.80 O ATOM 625 H GLU A 90 2.786 -13.609 10.802 1.00 0.00 H ATOM 626 N LEU A 91 1.874 -14.854 7.863 1.00 22.65 N ATOM 627 CA LEU A 91 1.647 -15.784 6.748 1.00 26.20 C ATOM 628 C LEU A 91 0.240 -16.375 6.782 1.00 25.18 C ATOM 629 O LEU A 91 -0.449 -16.429 5.756 1.00 19.79 O ATOM 630 CB LEU A 91 2.670 -16.930 6.754 1.00 22.14 C ATOM 631 CG LEU A 91 4.153 -16.557 6.673 1.00 30.28 C ATOM 632 CD1 LEU A 91 5.022 -17.816 6.621 1.00 33.36 C ATOM 633 CD2 LEU A 91 4.436 -15.651 5.472 1.00 29.40 C ATOM 634 H LEU A 91 2.627 -15.061 8.550 1.00 0.00 H ATOM 635 N GLY A 92 -0.175 -16.824 7.966 1.00 18.31 N ATOM 636 CA GLY A 92 -1.516 -17.339 8.156 1.00 20.77 C ATOM 637 C GLY A 92 -2.550 -16.272 7.853 1.00 25.63 C ATOM 638 O GLY A 92 -3.614 -16.535 7.294 1.00 35.81 O ATOM 639 H GLY A 92 0.480 -16.804 8.774 1.00 0.00 H ATOM 640 N LEU A 93 -2.221 -15.045 8.212 1.00 26.18 N ATOM 641 CA LEU A 93 -3.111 -13.922 7.987 1.00 21.52 C ATOM 642 C LEU A 93 -3.259 -13.603 6.490 1.00 27.63 C ATOM 643 O LEU A 93 -4.360 -13.359 6.012 1.00 24.79 O ATOM 644 CB LEU A 93 -2.575 -12.707 8.726 1.00 22.57 C ATOM 645 CG LEU A 93 -3.370 -11.404 8.590 1.00 33.33 C ATOM 646 CD1 LEU A 93 -4.642 -11.455 9.420 1.00 36.53 C ATOM 647 CD2 LEU A 93 -2.511 -10.212 8.984 1.00 31.58 C ATOM 648 H LEU A 93 -1.301 -14.879 8.667 1.00 0.00 H ATOM 649 N LEU A 94 -2.147 -13.634 5.757 1.00 22.26 N ATOM 650 CA LEU A 94 -2.084 -13.060 4.411 1.00 23.47 C ATOM 651 C LEU A 94 -2.323 -14.064 3.273 1.00 36.61 C ATOM 652 O LEU A 94 -2.655 -13.684 2.145 1.00 35.16 O ATOM 653 CB LEU A 94 -0.728 -12.397 4.216 1.00 21.76 C ATOM 654 CG LEU A 94 -0.512 -11.142 5.067 1.00 30.60 C ATOM 655 CD1 LEU A 94 0.946 -10.684 5.048 1.00 25.32 C ATOM 656 CD2 LEU A 94 -1.458 -10.034 4.608 1.00 27.23 C ATOM 657 H LEU A 94 -1.296 -14.081 6.154 1.00 0.00 H ATOM 658 N ILE A 95 -2.143 -15.342 3.577 1.00 33.10 N ATOM 659 CA ILE A 95 -2.170 -16.395 2.577 1.00 27.20 C ATOM 660 C ILE A 95 -3.293 -17.364 2.901 1.00 36.42 C ATOM 661 O ILE A 95 -3.226 -18.081 3.886 1.00 35.92 O ATOM 662 CB ILE A 95 -0.844 -17.142 2.601 1.00 24.22 C ATOM 663 CG1 ILE A 95 0.297 -16.137 2.453 1.00 20.05 C ATOM 664 CG2 ILE A 95 -0.766 -18.215 1.502 1.00 24.04 C ATOM 665 CD1 ILE A 95 1.628 -16.744 2.780 1.00 24.53 C ATOM 666 H ILE A 95 -1.976 -15.601 4.570 1.00 0.00 H ATOM 667 N GLY A 96 -4.332 -17.378 2.076 1.00 39.94 N ATOM 668 CA GLY A 96 -5.452 -18.272 2.305 1.00 42.13 C ATOM 669 C GLY A 96 -5.036 -19.733 2.312 1.00 37.56 C ATOM 670 O GLY A 96 -4.198 -20.150 1.508 1.00 27.33 O ATOM 671 H GLY A 96 -4.344 -16.740 1.255 1.00 0.00 H ATOM 672 N ASP A 97 -5.624 -20.500 3.230 1.00 47.71 N ATOM 673 CA ASP A 97 -5.351 -21.931 3.379 1.00 57.32 C ATOM 674 C ASP A 97 -3.889 -22.253 3.677 1.00 59.16 C ATOM 675 O ASP A 97 -3.435 -23.369 3.432 1.00 57.76 O ATOM 676 CB ASP A 97 -5.832 -22.711 2.155 1.00 66.62 C ATOM 677 CG ASP A 97 -7.230 -22.318 1.736 1.00 70.93 C ATOM 678 OD1 ASP A 97 -8.204 -22.778 2.372 1.00 66.54 O ATOM 679 OD2 ASP A 97 -7.352 -21.537 0.770 1.00 78.56 O ATOM 680 H ASP A 97 -6.312 -20.059 3.874 1.00 0.00 H ATOM 681 N HIS A 98 -3.162 -21.272 4.204 1.00 52.24 N ATOM 682 CA HIS A 98 -1.813 -21.490 4.709 1.00 38.41 C ATOM 683 C HIS A 98 -1.890 -22.435 5.888 1.00 35.14 C ATOM 684 O HIS A 98 -2.816 -22.357 6.697 1.00 38.95 O ATOM 685 CB HIS A 98 -1.216 -20.167 5.180 1.00 33.69 C ATOM 686 CG HIS A 98 0.137 -20.294 5.814 1.00 30.70 C ATOM 687 ND1 HIS A 98 1.255 -20.672 5.106 1.00 32.11 N ATOM 688 CD2 HIS A 98 0.552 -20.065 7.088 1.00 22.39 C ATOM 689 CE1 HIS A 98 2.302 -20.679 5.916 1.00 35.12 C ATOM 690 NE2 HIS A 98 1.902 -20.315 7.122 1.00 27.55 N ATOM 691 H HIS A 98 -3.570 -20.317 4.257 1.00 0.00 H ATOM 692 N ALA A 99 -0.916 -23.326 5.994 1.00 33.18 N ATOM 693 CA ALA A 99 -0.801 -24.165 7.178 1.00 30.79 C ATOM 694 C ALA A 99 0.340 -23.620 8.025 1.00 29.80 C ATOM 695 O ALA A 99 1.428 -23.367 7.510 1.00 34.36 O ATOM 696 CB ALA A 99 -0.527 -25.601 6.793 1.00 44.71 C ATOM 697 H ALA A 99 -0.226 -23.427 5.223 1.00 0.00 H ATOM 698 N ARG A 100 0.074 -23.431 9.315 1.00 32.21 N ATOM 699 CA ARG A 100 1.051 -22.866 10.248 1.00 33.13 C ATOM 700 C ARG A 100 2.409 -23.563 10.115 1.00 36.51 C ATOM 701 O ARG A 100 2.512 -24.790 10.267 1.00 33.67 O ATOM 702 CB ARG A 100 0.548 -22.975 11.694 1.00 26.50 C ATOM 703 CG ARG A 100 -0.733 -22.191 12.021 1.00 29.42 C ATOM 704 CD ARG A 100 -0.549 -20.688 11.910 1.00 26.06 C ATOM 705 NE ARG A 100 -1.619 -19.956 12.590 1.00 23.67 N ATOM 706 CZ ARG A 100 -1.808 -18.643 12.463 1.00 33.10 C ATOM 707 NH1 ARG A 100 -1.001 -17.930 11.676 1.00 22.37 N ATOM 708 NH2 ARG A 100 -2.808 -18.041 13.103 1.00 28.19 N ATOM 709 HE ARG A 100 -2.266 -20.489 13.205 1.00 0.00 H ATOM 710 HH12 ARG A 100 -1.146 -16.905 11.575 1.00 0.00 H ATOM 711 HH11 ARG A 100 -0.227 -18.399 11.164 1.00 0.00 H ATOM 712 HH22 ARG A 100 -2.950 -17.016 12.999 1.00 0.00 H ATOM 713 HH21 ARG A 100 -3.448 -18.596 13.707 1.00 0.00 H ATOM 714 H ARG A 100 -0.865 -23.695 9.675 1.00 0.00 H ATOM 715 N SER A 101 3.436 -22.773 9.817 1.00 30.52 N ATOM 716 CA SER A 101 4.794 -23.281 9.639 1.00 36.95 C ATOM 717 C SER A 101 5.426 -23.738 10.960 1.00 29.23 C ATOM 718 O SER A 101 6.391 -24.489 10.974 1.00 33.22 O ATOM 719 CB SER A 101 5.677 -22.204 9.030 1.00 33.82 C ATOM 720 OG SER A 101 5.044 -21.613 7.925 1.00 42.79 O ATOM 721 HG SER A 101 4.191 -21.203 8.215 1.00 0.00 H ATOM 722 H SER A 101 3.266 -21.753 9.706 1.00 0.00 H ATOM 723 N ALA A 102 4.887 -23.276 12.072 1.00 30.63 N ATOM 724 CA ALA A 102 5.427 -23.693 13.354 1.00 32.28 C ATOM 725 C ALA A 102 4.317 -23.805 14.366 1.00 29.35 C ATOM 726 O ALA A 102 3.234 -23.257 14.169 1.00 30.34 O ATOM 727 CB ALA A 102 6.505 -22.716 13.831 1.00 29.72 C ATOM 728 H ALA A 102 4.082 -22.619 12.031 1.00 0.00 H ATOM 729 N GLY A 103 4.579 -24.546 15.435 1.00 22.87 N ATOM 730 CA GLY A 103 3.724 -24.502 16.600 1.00 26.44 C ATOM 731 C GLY A 103 4.118 -23.299 17.445 1.00 28.27 C ATOM 732 O GLY A 103 5.306 -22.947 17.533 1.00 23.93 O ATOM 733 H GLY A 103 5.412 -25.168 15.435 1.00 0.00 H ATOM 734 N ALA A 104 3.124 -22.651 18.045 1.00 24.52 N ATOM 735 CA ALA A 104 3.372 -21.495 18.908 1.00 25.72 C ATOM 736 C ALA A 104 2.872 -21.782 20.312 1.00 24.95 C ATOM 737 O ALA A 104 1.768 -22.308 20.481 1.00 25.45 O ATOM 738 CB ALA A 104 2.699 -20.232 18.330 1.00 27.53 C ATOM 739 H ALA A 104 2.146 -22.973 17.898 1.00 0.00 H ATOM 740 N SER A 105 3.682 -21.437 21.315 1.00 27.85 N ATOM 741 CA SER A 105 3.346 -21.723 22.702 1.00 27.04 C ATOM 742 C SER A 105 4.022 -20.742 23.661 1.00 24.71 C ATOM 743 O SER A 105 5.076 -20.170 23.370 1.00 23.83 O ATOM 744 CB SER A 105 3.691 -23.177 23.065 1.00 31.57 C ATOM 745 OG SER A 105 5.086 -23.342 23.287 1.00 30.17 O ATOM 746 HG SER A 105 5.581 -23.098 22.465 1.00 0.00 H ATOM 747 H SER A 105 4.576 -20.951 21.100 1.00 0.00 H ATOM 748 N ALA A 106 3.383 -20.514 24.798 1.00 29.61 N ATOM 749 CA ALA A 106 3.874 -19.508 25.728 1.00 34.97 C ATOM 750 C ALA A 106 4.928 -20.113 26.651 1.00 37.90 C ATOM 751 O ALA A 106 4.701 -21.141 27.294 1.00 37.34 O ATOM 752 CB ALA A 106 2.723 -18.877 26.518 1.00 31.89 C ATOM 753 H ALA A 106 2.526 -21.057 25.028 1.00 0.00 H ATOM 754 N SER A 107 6.089 -19.474 26.696 1.00 32.65 N ATOM 755 CA SER A 107 7.171 -19.934 27.551 1.00 39.36 C ATOM 756 C SER A 107 6.847 -19.545 28.985 1.00 41.51 C ATOM 757 O SER A 107 7.038 -20.318 29.918 1.00 41.20 O ATOM 758 CB SER A 107 8.488 -19.300 27.105 1.00 36.89 C ATOM 759 OG SER A 107 9.551 -19.743 27.912 1.00 53.27 O ATOM 760 HG SER A 107 10.393 -19.321 27.607 1.00 0.00 H ATOM 761 H SER A 107 6.228 -18.627 26.108 1.00 0.00 H ATOM 762 N VAL A 108 6.360 -18.323 29.136 1.00 41.79 N ATOM 763 CA VAL A 108 5.976 -17.774 30.422 1.00 36.91 C ATOM 764 C VAL A 108 4.634 -17.118 30.180 1.00 39.82 C ATOM 765 O VAL A 108 4.183 -17.074 29.036 1.00 47.97 O ATOM 766 CB VAL A 108 6.988 -16.729 30.878 1.00 33.32 C ATOM 767 CG1 VAL A 108 8.347 -17.399 31.173 1.00 29.74 C ATOM 768 CG2 VAL A 108 7.144 -15.632 29.816 1.00 24.32 C ATOM 769 H VAL A 108 6.247 -17.728 28.291 1.00 0.00 H ATOM 770 N ASP A 109 3.980 -16.642 31.235 1.00 29.54 N ATOM 771 CA ASP A 109 2.719 -15.925 31.078 1.00 30.29 C ATOM 772 C ASP A 109 2.954 -14.799 30.077 1.00 26.97 C ATOM 773 O ASP A 109 3.887 -14.020 30.217 1.00 22.98 O ATOM 774 CB ASP A 109 2.247 -15.334 32.415 1.00 33.89 C ATOM 775 CG ASP A 109 1.612 -16.372 33.345 1.00 42.41 C ATOM 776 OD1 ASP A 109 1.665 -17.594 33.071 1.00 35.44 O ATOM 777 OD2 ASP A 109 1.046 -15.946 34.372 1.00 45.52 O ATOM 778 H ASP A 109 4.373 -16.783 32.187 1.00 0.00 H ATOM 779 N SER A 110 2.115 -14.711 29.060 1.00 29.06 N ATOM 780 CA SER A 110 2.371 -13.752 28.000 1.00 21.76 C ATOM 781 C SER A 110 1.118 -12.991 27.632 1.00 23.51 C ATOM 782 O SER A 110 0.003 -13.439 27.894 1.00 23.00 O ATOM 783 CB SER A 110 2.922 -14.475 26.764 1.00 22.87 C ATOM 784 OG SER A 110 4.235 -14.925 27.005 1.00 27.46 O ATOM 785 HG SER A 110 4.232 -15.551 27.772 1.00 0.00 H ATOM 786 H SER A 110 1.276 -15.325 29.019 1.00 0.00 H ATOM 787 N ARG A 111 1.298 -11.832 27.017 1.00 20.18 N ATOM 788 CA ARG A 111 0.154 -11.095 26.498 1.00 17.46 C ATOM 789 C ARG A 111 0.456 -10.751 25.056 1.00 16.84 C ATOM 790 O ARG A 111 1.595 -10.421 24.716 1.00 22.24 O ATOM 791 CB ARG A 111 -0.104 -9.818 27.296 1.00 18.43 C ATOM 792 CG ARG A 111 -0.624 -10.025 28.698 1.00 27.21 C ATOM 793 CD ARG A 111 -0.692 -8.689 29.401 1.00 30.77 C ATOM 794 NE ARG A 111 -1.672 -8.687 30.471 1.00 52.01 N ATOM 795 CZ ARG A 111 -1.849 -7.676 31.312 1.00 48.14 C ATOM 796 NH1 ARG A 111 -1.101 -6.588 31.195 1.00 36.49 N ATOM 797 NH2 ARG A 111 -2.766 -7.761 32.268 1.00 54.21 N ATOM 798 HE ARG A 111 -2.272 -9.529 30.586 1.00 0.00 H ATOM 799 HH12 ARG A 111 -1.235 -5.792 31.851 1.00 0.00 H ATOM 800 HH11 ARG A 111 -0.380 -6.530 30.447 1.00 0.00 H ATOM 801 HH22 ARG A 111 -2.905 -6.969 32.927 1.00 0.00 H ATOM 802 HH21 ARG A 111 -3.346 -8.620 32.358 1.00 0.00 H ATOM 803 H ARG A 111 2.258 -11.448 26.904 1.00 0.00 H ATOM 804 N LEU A 112 -0.579 -10.820 24.222 1.00 27.37 N ATOM 805 CA LEU A 112 -0.437 -10.686 22.783 1.00 20.87 C ATOM 806 C LEU A 112 -1.463 -9.728 22.227 1.00 26.03 C ATOM 807 O LEU A 112 -2.578 -9.630 22.747 1.00 24.27 O ATOM 808 CB LEU A 112 -0.657 -12.040 22.112 1.00 22.82 C ATOM 809 CG LEU A 112 0.123 -13.267 22.586 1.00 22.50 C ATOM 810 CD1 LEU A 112 -0.293 -14.494 21.802 1.00 21.63 C ATOM 811 CD2 LEU A 112 1.605 -13.052 22.426 1.00 21.11 C ATOM 812 H LEU A 112 -1.528 -10.976 24.617 1.00 0.00 H ATOM 813 N ILE A 113 -1.090 -9.026 21.161 1.00 24.87 N ATOM 814 CA ILE A 113 -2.094 -8.430 20.280 1.00 25.09 C ATOM 815 C ILE A 113 -2.504 -9.492 19.265 1.00 26.72 C ATOM 816 O ILE A 113 -1.658 -10.089 18.592 1.00 20.10 O ATOM 817 CB ILE A 113 -1.551 -7.215 19.518 1.00 29.44 C ATOM 818 CG1 ILE A 113 -1.202 -6.085 20.497 1.00 23.97 C ATOM 819 CG2 ILE A 113 -2.568 -6.742 18.447 1.00 21.27 C ATOM 820 CD1 ILE A 113 -0.163 -5.136 19.932 1.00 21.73 C ATOM 821 H ILE A 113 -0.079 -8.900 20.953 1.00 0.00 H ATOM 822 N GLU A 114 -3.802 -9.748 19.179 1.00 24.71 N ATOM 823 CA GLU A 114 -4.337 -10.666 18.186 1.00 22.95 C ATOM 824 C GLU A 114 -5.059 -9.876 17.094 1.00 29.69 C ATOM 825 O GLU A 114 -6.005 -9.140 17.369 1.00 23.18 O ATOM 826 CB GLU A 114 -5.275 -11.656 18.853 1.00 23.23 C ATOM 827 CG GLU A 114 -5.973 -12.632 17.923 1.00 38.36 C ATOM 828 CD GLU A 114 -6.908 -13.560 18.684 1.00 36.51 C ATOM 829 OE1 GLU A 114 -6.430 -14.336 19.535 1.00 39.23 O ATOM 830 OE2 GLU A 114 -8.124 -13.504 18.434 1.00 39.61 O ATOM 831 H GLU A 114 -4.455 -9.280 19.839 1.00 0.00 H ATOM 832 N LEU A 115 -4.601 -10.036 15.854 1.00 22.90 N ATOM 833 CA LEU A 115 -5.146 -9.297 14.722 1.00 25.00 C ATOM 834 C LEU A 115 -5.793 -10.257 13.717 1.00 21.77 C ATOM 835 O LEU A 115 -5.112 -11.055 13.080 1.00 18.59 O ATOM 836 CB LEU A 115 -4.015 -8.512 14.070 1.00 27.01 C ATOM 837 CG LEU A 115 -4.183 -7.196 13.302 1.00 34.70 C ATOM 838 CD1 LEU A 115 -4.323 -7.461 11.854 1.00 26.62 C ATOM 839 CD2 LEU A 115 -5.304 -6.277 13.818 1.00 26.16 C ATOM 840 H LEU A 115 -3.828 -10.711 15.687 1.00 0.00 H ATOM 841 N ALA A 116 -7.114 -10.180 13.596 1.00 29.86 N ATOM 842 CA ALA A 116 -7.863 -11.075 12.726 1.00 31.20 C ATOM 843 C ALA A 116 -7.907 -10.575 11.288 1.00 31.78 C ATOM 844 O ALA A 116 -7.653 -9.401 11.007 1.00 28.38 O ATOM 845 CB ALA A 116 -9.291 -11.284 13.266 1.00 26.72 C ATOM 846 H ALA A 116 -7.629 -9.458 14.140 1.00 0.00 H ATOM 847 N HIS A 117 -8.245 -11.490 10.386 1.00 29.28 N ATOM 848 CA HIS A 117 -8.339 -11.210 8.959 1.00 26.30 C ATOM 849 C HIS A 117 -9.132 -9.937 8.660 1.00 26.51 C ATOM 850 O HIS A 117 -8.657 -9.063 7.932 1.00 25.43 O ATOM 851 CB HIS A 117 -8.983 -12.411 8.253 1.00 38.79 C ATOM 852 CG HIS A 117 -9.099 -12.252 6.771 1.00 44.36 C ATOM 853 ND1 HIS A 117 -10.204 -11.689 6.167 1.00 44.85 N ATOM 854 CD2 HIS A 117 -8.246 -12.580 5.772 1.00 43.43 C ATOM 855 CE1 HIS A 117 -10.026 -11.682 4.858 1.00 44.00 C ATOM 856 NE2 HIS A 117 -8.846 -12.215 4.592 1.00 45.87 N ATOM 857 H HIS A 117 -8.453 -12.454 10.715 1.00 0.00 H ATOM 858 N ASP A 118 -10.337 -9.842 9.223 1.00 26.05 N ATOM 859 CA ASP A 118 -11.201 -8.677 9.035 1.00 31.11 C ATOM 860 C ASP A 118 -10.594 -7.407 9.620 1.00 31.09 C ATOM 861 O ASP A 118 -10.742 -6.321 9.041 1.00 22.36 O ATOM 862 CB ASP A 118 -12.585 -8.913 9.657 1.00 45.69 C ATOM 863 CG ASP A 118 -13.424 -9.914 8.870 1.00 56.96 C ATOM 864 OD1 ASP A 118 -13.088 -10.185 7.693 1.00 48.64 O ATOM 865 OD2 ASP A 118 -14.426 -10.421 9.431 1.00 61.90 O ATOM 866 H ASP A 118 -10.675 -10.625 9.818 1.00 0.00 H ATOM 867 N ASP A 119 -9.918 -7.547 10.766 1.00 25.97 N ATOM 868 CA ASP A 119 -9.247 -6.423 11.409 1.00 26.27 C ATOM 869 C ASP A 119 -8.188 -5.874 10.461 1.00 28.45 C ATOM 870 O ASP A 119 -8.058 -4.664 10.286 1.00 29.53 O ATOM 871 CB ASP A 119 -8.550 -6.856 12.719 1.00 27.63 C ATOM 872 CG ASP A 119 -9.513 -7.406 13.764 1.00 29.70 C ATOM 873 OD1 ASP A 119 -10.719 -7.087 13.703 1.00 27.21 O ATOM 874 OD2 ASP A 119 -9.054 -8.161 14.660 1.00 30.87 O ATOM 875 H ASP A 119 -9.870 -8.485 11.212 1.00 0.00 H ATOM 876 N PHE A 120 -7.415 -6.774 9.860 1.00 24.94 N ATOM 877 CA PHE A 120 -6.354 -6.356 8.959 1.00 30.71 C ATOM 878 C PHE A 120 -6.935 -5.650 7.734 1.00 32.52 C ATOM 879 O PHE A 120 -6.402 -4.625 7.293 1.00 28.91 O ATOM 880 CB PHE A 120 -5.473 -7.544 8.543 1.00 32.53 C ATOM 881 CG PHE A 120 -4.381 -7.178 7.578 1.00 33.19 C ATOM 882 CD1 PHE A 120 -3.256 -6.489 8.010 1.00 27.12 C ATOM 883 CD2 PHE A 120 -4.486 -7.507 6.225 1.00 39.96 C ATOM 884 CE1 PHE A 120 -2.249 -6.140 7.121 1.00 26.44 C ATOM 885 CE2 PHE A 120 -3.481 -7.164 5.324 1.00 32.87 C ATOM 886 CZ PHE A 120 -2.359 -6.478 5.769 1.00 31.48 C ATOM 887 H PHE A 120 -7.571 -7.787 10.037 1.00 0.00 H ATOM 888 N GLN A 121 -8.034 -6.180 7.199 1.00 24.60 N ATOM 889 CA GLN A 121 -8.672 -5.511 6.072 1.00 34.20 C ATOM 890 C GLN A 121 -9.133 -4.107 6.462 1.00 34.78 C ATOM 891 O GLN A 121 -9.012 -3.174 5.665 1.00 26.61 O ATOM 892 CB GLN A 121 -9.839 -6.320 5.500 1.00 33.40 C ATOM 893 CG GLN A 121 -10.550 -5.595 4.363 1.00 41.16 C ATOM 894 CD GLN A 121 -9.602 -5.227 3.218 1.00 37.17 C ATOM 895 OE1 GLN A 121 -9.545 -4.078 2.787 1.00 44.42 O ATOM 896 NE2 GLN A 121 -8.847 -6.206 2.737 1.00 28.62 N ATOM 897 HE22 GLN A 121 -8.927 -7.165 3.131 1.00 0.00 H ATOM 898 HE21 GLN A 121 -8.176 -6.014 1.966 1.00 0.00 H ATOM 899 H GLN A 121 -8.432 -7.061 7.581 1.00 0.00 H ATOM 900 N ARG A 122 -9.640 -3.953 7.690 1.00 30.10 N ATOM 901 CA ARG A 122 -10.049 -2.631 8.164 1.00 27.50 C ATOM 902 C ARG A 122 -8.857 -1.688 8.221 1.00 33.57 C ATOM 903 O ARG A 122 -8.953 -0.521 7.828 1.00 38.24 O ATOM 904 CB ARG A 122 -10.725 -2.709 9.540 1.00 36.91 C ATOM 905 CG ARG A 122 -12.202 -3.067 9.485 1.00 39.92 C ATOM 906 CD ARG A 122 -12.765 -3.392 10.858 1.00 40.08 C ATOM 907 NE ARG A 122 -13.576 -4.603 10.828 1.00 50.04 N ATOM 908 CZ ARG A 122 -13.318 -5.696 11.537 1.00 60.10 C ATOM 909 NH1 ARG A 122 -12.277 -5.729 12.352 1.00 58.77 N ATOM 910 NH2 ARG A 122 -14.113 -6.753 11.441 1.00 72.77 N ATOM 911 HE ARG A 122 -14.413 -4.612 10.210 1.00 0.00 H ATOM 912 HH12 ARG A 122 -12.077 -6.586 12.906 1.00 0.00 H ATOM 913 HH11 ARG A 122 -11.658 -4.898 12.439 1.00 0.00 H ATOM 914 HH22 ARG A 122 -13.910 -7.608 11.997 1.00 0.00 H ATOM 915 HH21 ARG A 122 -14.939 -6.727 10.810 1.00 0.00 H ATOM 916 H ARG A 122 -9.744 -4.779 8.313 1.00 0.00 H ATOM 917 N LEU A 123 -7.732 -2.220 8.695 1.00 26.82 N ATOM 918 CA LEU A 123 -6.484 -1.470 8.846 1.00 27.82 C ATOM 919 C LEU A 123 -5.957 -0.963 7.506 1.00 20.65 C ATOM 920 O LEU A 123 -5.566 0.195 7.376 1.00 26.32 O ATOM 921 CB LEU A 123 -5.440 -2.384 9.485 1.00 26.50 C ATOM 922 CG LEU A 123 -4.357 -1.798 10.378 1.00 36.96 C ATOM 923 CD1 LEU A 123 -4.849 -0.554 11.086 1.00 39.64 C ATOM 924 CD2 LEU A 123 -3.935 -2.867 11.389 1.00 31.05 C ATOM 925 H LEU A 123 -7.741 -3.222 8.973 1.00 0.00 H ATOM 926 N VAL A 124 -5.951 -1.849 6.514 1.00 21.37 N ATOM 927 CA VAL A 124 -5.533 -1.495 5.166 1.00 31.84 C ATOM 928 C VAL A 124 -6.365 -0.328 4.656 1.00 33.40 C ATOM 929 O VAL A 124 -5.831 0.631 4.105 1.00 37.14 O ATOM 930 CB VAL A 124 -5.715 -2.677 4.185 1.00 39.86 C ATOM 931 CG1 VAL A 124 -5.246 -2.289 2.807 1.00 45.16 C ATOM 932 CG2 VAL A 124 -4.953 -3.881 4.658 1.00 46.51 C ATOM 933 H VAL A 124 -6.254 -2.825 6.708 1.00 0.00 H ATOM 934 N ASP A 125 -7.677 -0.418 4.852 1.00 37.10 N ATOM 935 CA ASP A 125 -8.602 0.584 4.337 1.00 42.35 C ATOM 936 C ASP A 125 -8.403 1.931 5.011 1.00 49.55 C ATOM 937 O ASP A 125 -8.511 2.977 4.371 1.00 51.44 O ATOM 938 CB ASP A 125 -10.055 0.130 4.517 1.00 43.61 C ATOM 939 CG ASP A 125 -10.410 -1.051 3.641 1.00 46.96 C ATOM 940 OD1 ASP A 125 -9.792 -1.191 2.564 1.00 47.02 O ATOM 941 OD2 ASP A 125 -11.299 -1.843 4.030 1.00 54.48 O ATOM 942 H ASP A 125 -8.054 -1.226 5.388 1.00 0.00 H ATOM 943 N HIS A 126 -8.118 1.909 6.307 1.00 47.24 N ATOM 944 CA HIS A 126 -7.956 3.154 7.050 1.00 41.55 C ATOM 945 C HIS A 126 -6.546 3.738 6.925 1.00 29.26 C ATOM 946 O HIS A 126 -6.369 4.962 6.924 1.00 34.27 O ATOM 947 CB HIS A 126 -8.344 2.964 8.521 1.00 37.76 C ATOM 948 CG HIS A 126 -8.067 4.163 9.376 1.00 51.53 C ATOM 949 ND1 HIS A 126 -6.862 4.359 10.013 1.00 56.49 N ATOM 950 CD2 HIS A 126 -8.838 5.230 9.695 1.00 60.41 C ATOM 951 CE1 HIS A 126 -6.901 5.493 10.691 1.00 59.28 C ATOM 952 NE2 HIS A 126 -8.089 6.041 10.515 1.00 61.45 N ATOM 953 H HIS A 126 -8.009 0.998 6.796 1.00 0.00 H ATOM 954 N ASP A 127 -5.543 2.871 6.818 1.00 24.61 N ATOM 955 CA ASP A 127 -4.172 3.360 6.740 1.00 31.66 C ATOM 956 C ASP A 127 -3.291 2.510 5.827 1.00 32.34 C ATOM 957 O ASP A 127 -2.385 1.803 6.300 1.00 25.13 O ATOM 958 CB ASP A 127 -3.551 3.471 8.130 1.00 38.36 C ATOM 959 CG ASP A 127 -2.366 4.415 8.157 1.00 43.58 C ATOM 960 OD1 ASP A 127 -1.811 4.717 7.081 1.00 38.23 O ATOM 961 OD2 ASP A 127 -1.984 4.852 9.253 1.00 38.58 O ATOM 962 H ASP A 127 -5.736 1.849 6.790 1.00 0.00 H ATOM 963 N PRO A 128 -3.535 2.607 4.511 1.00 26.23 N ATOM 964 CA PRO A 128 -2.815 1.765 3.564 1.00 23.89 C ATOM 965 C PRO A 128 -1.325 1.999 3.618 1.00 24.25 C ATOM 966 O PRO A 128 -0.569 1.043 3.420 1.00 20.50 O ATOM 967 CB PRO A 128 -3.376 2.194 2.202 1.00 26.76 C ATOM 968 CG PRO A 128 -3.970 3.554 2.429 1.00 27.64 C ATOM 969 CD PRO A 128 -4.454 3.551 3.840 1.00 24.56 C ATOM 970 N SER A 129 -0.909 3.233 3.886 1.00 21.71 N ATOM 971 CA SER A 129 0.512 3.556 3.892 1.00 21.59 C ATOM 972 C SER A 129 1.232 2.826 5.034 1.00 34.55 C ATOM 973 O SER A 129 2.328 2.284 4.849 1.00 25.05 O ATOM 974 CB SER A 129 0.723 5.073 3.979 1.00 28.67 C ATOM 975 OG SER A 129 2.104 5.406 3.916 1.00 35.97 O ATOM 976 HG SER A 129 2.208 6.389 3.974 1.00 0.00 H ATOM 977 H SER A 129 -1.606 3.976 4.094 1.00 0.00 H HETATM 978 N MSE A 130 0.622 2.820 6.216 1.00 29.55 N HETATM 979 CA MSE A 130 1.238 2.138 7.345 1.00 30.52 C HETATM 980 C MSE A 130 1.367 0.661 7.057 1.00 21.20 C HETATM 981 O MSE A 130 2.421 0.075 7.314 1.00 21.37 O HETATM 982 CB MSE A 130 0.450 2.323 8.640 1.00 32.04 C HETATM 983 CG MSE A 130 1.127 1.622 9.811 1.00 34.51 C HETATM 984 SE MSE A 130 0.094 1.774 11.418 1.00 42.43 S HETATM 985 CE MSE A 130 -1.319 0.510 11.012 1.00 25.37 C HETATM 986 H MSE A 130 -0.292 3.301 6.333 1.00 0.00 H ATOM 987 N VAL A 131 0.303 0.078 6.498 1.00 21.74 N ATOM 988 CA VAL A 131 0.275 -1.342 6.147 1.00 25.36 C ATOM 989 C VAL A 131 1.321 -1.706 5.081 1.00 22.96 C ATOM 990 O VAL A 131 1.980 -2.744 5.174 1.00 22.23 O ATOM 991 CB VAL A 131 -1.139 -1.772 5.675 1.00 25.71 C ATOM 992 CG1 VAL A 131 -1.146 -3.199 5.146 1.00 23.77 C ATOM 993 CG2 VAL A 131 -2.130 -1.627 6.808 1.00 21.69 C ATOM 994 H VAL A 131 -0.539 0.657 6.305 1.00 0.00 H ATOM 995 N ALA A 132 1.482 -0.849 4.077 1.00 24.94 N ATOM 996 CA ALA A 132 2.450 -1.130 3.014 1.00 27.05 C ATOM 997 C ALA A 132 3.848 -1.205 3.595 1.00 19.82 C ATOM 998 O ALA A 132 4.646 -2.077 3.241 1.00 23.23 O ATOM 999 CB ALA A 132 2.379 -0.065 1.905 1.00 20.92 C ATOM 1000 H ALA A 132 0.918 0.024 4.046 1.00 0.00 H ATOM 1001 N HIS A 133 4.147 -0.274 4.497 1.00 20.12 N ATOM 1002 CA HIS A 133 5.448 -0.260 5.147 1.00 24.59 C ATOM 1003 C HIS A 133 5.634 -1.539 5.971 1.00 24.45 C ATOM 1004 O HIS A 133 6.705 -2.185 5.946 1.00 19.55 O ATOM 1005 CB HIS A 133 5.585 0.997 6.006 1.00 33.71 C ATOM 1006 CG HIS A 133 6.974 1.240 6.502 1.00 59.35 C ATOM 1007 ND1 HIS A 133 7.360 0.973 7.800 1.00 67.34 N ATOM 1008 CD2 HIS A 133 8.072 1.729 5.877 1.00 66.31 C ATOM 1009 CE1 HIS A 133 8.635 1.282 7.951 1.00 68.22 C ATOM 1010 NE2 HIS A 133 9.091 1.744 6.799 1.00 70.35 N ATOM 1011 H HIS A 133 3.443 0.452 4.740 1.00 0.00 H ATOM 1012 N PHE A 134 4.578 -1.931 6.677 1.00 20.48 N ATOM 1013 CA PHE A 134 4.633 -3.175 7.428 1.00 20.96 C ATOM 1014 C PHE A 134 4.820 -4.378 6.499 1.00 25.60 C ATOM 1015 O PHE A 134 5.615 -5.270 6.795 1.00 26.29 O ATOM 1016 CB PHE A 134 3.382 -3.369 8.292 1.00 14.66 C ATOM 1017 CG PHE A 134 3.217 -4.777 8.787 1.00 21.04 C ATOM 1018 CD1 PHE A 134 3.975 -5.244 9.864 1.00 23.47 C ATOM 1019 CD2 PHE A 134 2.320 -5.642 8.177 1.00 18.07 C ATOM 1020 CE1 PHE A 134 3.841 -6.548 10.320 1.00 23.38 C ATOM 1021 CE2 PHE A 134 2.181 -6.949 8.626 1.00 23.41 C ATOM 1022 CZ PHE A 134 2.945 -7.405 9.699 1.00 25.86 C ATOM 1023 H PHE A 134 3.716 -1.350 6.692 1.00 0.00 H ATOM 1024 N LEU A 135 4.077 -4.420 5.391 1.00 16.48 N ATOM 1025 CA LEU A 135 4.163 -5.579 4.497 1.00 16.94 C ATOM 1026 C LEU A 135 5.552 -5.692 3.874 1.00 20.01 C ATOM 1027 O LEU A 135 6.087 -6.783 3.638 1.00 24.05 O ATOM 1028 CB LEU A 135 3.108 -5.470 3.393 1.00 24.71 C ATOM 1029 CG LEU A 135 1.666 -5.690 3.843 1.00 26.92 C ATOM 1030 CD1 LEU A 135 0.677 -5.392 2.703 1.00 23.85 C ATOM 1031 CD2 LEU A 135 1.473 -7.111 4.368 1.00 24.79 C ATOM 1032 H LEU A 135 3.438 -3.632 5.162 1.00 0.00 H ATOM 1033 N ARG A 136 6.120 -4.540 3.575 1.00 24.21 N ATOM 1034 CA ARG A 136 7.466 -4.458 3.056 1.00 22.56 C ATOM 1035 C ARG A 136 8.465 -5.053 4.055 1.00 33.23 C ATOM 1036 O ARG A 136 9.297 -5.891 3.689 1.00 26.21 O ATOM 1037 CB ARG A 136 7.777 -2.991 2.789 1.00 22.12 C ATOM 1038 CG ARG A 136 9.054 -2.738 2.077 1.00 41.95 C ATOM 1039 CD ARG A 136 8.968 -1.395 1.396 1.00 47.22 C ATOM 1040 NE ARG A 136 10.262 -0.994 0.873 1.00 55.83 N ATOM 1041 CZ ARG A 136 10.526 0.230 0.435 1.00 56.65 C ATOM 1042 NH1 ARG A 136 9.574 1.161 0.460 1.00 56.60 N ATOM 1043 NH2 ARG A 136 11.737 0.520 -0.021 1.00 48.72 N ATOM 1044 HE ARG A 136 11.022 -1.704 0.840 1.00 0.00 H ATOM 1045 HH12 ARG A 136 9.777 2.122 0.117 1.00 0.00 H ATOM 1046 HH11 ARG A 136 8.627 0.927 0.822 1.00 0.00 H ATOM 1047 HH22 ARG A 136 11.947 1.479 -0.365 1.00 0.00 H ATOM 1048 HH21 ARG A 136 12.476 -0.211 -0.035 1.00 0.00 H ATOM 1049 H ARG A 136 5.581 -3.662 3.717 1.00 0.00 H ATOM 1050 N ARG A 137 8.378 -4.620 5.315 1.00 24.60 N ATOM 1051 CA ARG A 137 9.221 -5.180 6.355 1.00 28.79 C ATOM 1052 C ARG A 137 8.984 -6.679 6.538 1.00 24.74 C ATOM 1053 O ARG A 137 9.918 -7.413 6.813 1.00 26.39 O ATOM 1054 CB ARG A 137 9.044 -4.445 7.688 1.00 26.66 C ATOM 1055 CG ARG A 137 9.479 -2.996 7.661 1.00 31.26 C ATOM 1056 CD ARG A 137 10.045 -2.559 9.029 1.00 43.15 C ATOM 1057 NE ARG A 137 9.387 -3.220 10.157 1.00 30.43 N ATOM 1058 CZ ARG A 137 8.145 -2.956 10.547 1.00 26.42 C ATOM 1059 NH1 ARG A 137 7.424 -2.057 9.882 1.00 25.29 N ATOM 1060 NH2 ARG A 137 7.616 -3.610 11.577 1.00 31.21 N ATOM 1061 HE ARG A 137 9.923 -3.938 10.684 1.00 0.00 H ATOM 1062 HH12 ARG A 137 6.451 -1.846 10.182 1.00 0.00 H ATOM 1063 HH11 ARG A 137 7.833 -1.566 9.062 1.00 0.00 H ATOM 1064 HH22 ARG A 137 6.643 -3.402 11.881 1.00 0.00 H ATOM 1065 HH21 ARG A 137 8.175 -4.329 12.079 1.00 0.00 H ATOM 1066 H ARG A 137 7.697 -3.871 5.554 1.00 0.00 H ATOM 1067 N SER A 138 7.747 -7.133 6.364 1.00 24.57 N ATOM 1068 CA SER A 138 7.454 -8.563 6.435 1.00 26.64 C ATOM 1069 C SER A 138 8.216 -9.378 5.387 1.00 28.24 C ATOM 1070 O SER A 138 8.825 -10.407 5.702 1.00 27.57 O ATOM 1071 CB SER A 138 5.953 -8.807 6.249 1.00 29.26 C ATOM 1072 OG SER A 138 5.234 -8.395 7.391 1.00 42.22 O ATOM 1073 HG SER A 138 5.385 -7.428 7.543 1.00 0.00 H ATOM 1074 H SER A 138 6.976 -6.461 6.175 1.00 0.00 H ATOM 1075 N ILE A 139 8.144 -8.930 4.135 1.00 32.38 N ATOM 1076 CA ILE A 139 8.831 -9.602 3.027 1.00 27.36 C ATOM 1077 C ILE A 139 10.326 -9.793 3.300 1.00 27.85 C ATOM 1078 O ILE A 139 10.853 -10.882 3.108 1.00 30.75 O ATOM 1079 CB ILE A 139 8.648 -8.834 1.716 1.00 32.18 C ATOM 1080 CG1 ILE A 139 7.215 -9.005 1.226 1.00 23.61 C ATOM 1081 CG2 ILE A 139 9.624 -9.342 0.645 1.00 29.74 C ATOM 1082 CD1 ILE A 139 6.772 -7.922 0.254 1.00 23.39 C ATOM 1083 H ILE A 139 7.583 -8.077 3.937 1.00 0.00 H ATOM 1084 N VAL A 140 10.993 -8.736 3.761 1.00 26.54 N ATOM 1085 CA VAL A 140 12.395 -8.830 4.128 1.00 28.52 C ATOM 1086 C VAL A 140 12.606 -9.917 5.187 1.00 41.18 C ATOM 1087 O VAL A 140 13.481 -10.767 5.040 1.00 39.15 O ATOM 1088 CB VAL A 140 12.945 -7.501 4.665 1.00 31.35 C ATOM 1089 CG1 VAL A 140 14.388 -7.686 5.109 1.00 34.21 C ATOM 1090 CG2 VAL A 140 12.837 -6.392 3.603 1.00 32.44 C ATOM 1091 H VAL A 140 10.500 -7.826 3.860 1.00 0.00 H ATOM 1092 N ARG A 141 11.783 -9.905 6.235 1.00 36.63 N ATOM 1093 CA ARG A 141 11.911 -10.885 7.306 1.00 46.76 C ATOM 1094 C ARG A 141 11.726 -12.302 6.757 1.00 40.17 C ATOM 1095 O ARG A 141 12.521 -13.192 7.041 1.00 41.63 O ATOM 1096 CB ARG A 141 10.905 -10.596 8.432 1.00 59.57 C ATOM 1097 CG ARG A 141 11.267 -11.220 9.786 1.00 71.34 C ATOM 1098 CD ARG A 141 10.038 -11.398 10.688 1.00 74.26 C ATOM 1099 NE ARG A 141 9.113 -12.383 10.131 1.00 78.78 N ATOM 1100 CZ ARG A 141 8.377 -13.235 10.842 1.00 75.20 C ATOM 1101 NH1 ARG A 141 8.433 -13.241 12.173 1.00 76.24 N ATOM 1102 NH2 ARG A 141 7.579 -14.087 10.210 1.00 63.07 N ATOM 1103 HE ARG A 141 9.022 -12.422 9.096 1.00 0.00 H ATOM 1104 HH12 ARG A 141 7.852 -13.912 12.715 1.00 0.00 H ATOM 1105 HH11 ARG A 141 9.057 -12.574 12.670 1.00 0.00 H ATOM 1106 HH22 ARG A 141 6.999 -14.757 10.754 1.00 0.00 H ATOM 1107 HH21 ARG A 141 7.534 -14.084 9.171 1.00 0.00 H ATOM 1108 H ARG A 141 11.036 -9.183 6.290 1.00 0.00 H ATOM 1109 N VAL A 142 10.697 -12.488 5.940 1.00 42.80 N ATOM 1110 CA VAL A 142 10.321 -13.807 5.445 1.00 43.20 C ATOM 1111 C VAL A 142 11.307 -14.377 4.421 1.00 50.64 C ATOM 1112 O VAL A 142 11.546 -15.585 4.387 1.00 43.15 O ATOM 1113 CB VAL A 142 8.880 -13.797 4.897 1.00 46.89 C ATOM 1114 CG1 VAL A 142 8.544 -15.110 4.196 1.00 52.75 C ATOM 1115 CG2 VAL A 142 7.908 -13.551 6.046 1.00 53.42 C ATOM 1116 H VAL A 142 10.138 -11.663 5.642 1.00 0.00 H ATOM 1117 N VAL A 143 11.887 -13.516 3.593 1.00 69.79 N ATOM 1118 CA VAL A 143 12.915 -13.969 2.662 1.00 75.07 C ATOM 1119 C VAL A 143 14.159 -14.379 3.449 1.00 74.75 C ATOM 1120 O VAL A 143 14.909 -15.269 3.036 1.00 76.90 O ATOM 1121 CB VAL A 143 13.220 -12.906 1.586 1.00 74.70 C ATOM 1122 CG1 VAL A 143 14.494 -13.247 0.808 1.00 75.40 C ATOM 1123 CG2 VAL A 143 12.030 -12.788 0.647 1.00 79.81 C ATOM 1124 H VAL A 143 11.607 -12.514 3.608 1.00 0.00 H ATOM 1125 N ASN A 144 14.331 -13.764 4.614 1.00 58.78 N ATOM 1126 CA ASN A 144 15.420 -14.110 5.515 1.00 71.06 C ATOM 1127 C ASN A 144 14.998 -15.112 6.594 1.00 75.32 C ATOM 1128 O ASN A 144 15.579 -15.139 7.677 1.00 77.21 O ATOM 1129 CB ASN A 144 15.991 -12.850 6.173 1.00 72.47 C ATOM 1130 CG ASN A 144 16.711 -11.950 5.188 1.00 76.84 C ATOM 1131 OD1 ASN A 144 17.093 -12.381 4.101 1.00 84.52 O ATOM 1132 ND2 ASN A 144 16.901 -10.693 5.565 1.00 74.73 N ATOM 1133 HD22 ASN A 144 16.561 -10.372 6.494 1.00 0.00 H ATOM 1134 HD21 ASN A 144 17.390 -10.028 4.932 1.00 0.00 H ATOM 1135 H ASN A 144 13.667 -13.013 4.890 1.00 0.00 H ATOM 1136 N ASN A 145 14.004 -15.945 6.291 1.00 69.22 N ATOM 1137 CA ASN A 145 13.520 -16.934 7.259 1.00 73.55 C ATOM 1138 C ASN A 145 13.615 -18.398 6.806 1.00 80.73 C ATOM 1139 O ASN A 145 14.472 -18.750 5.998 1.00 78.49 O ATOM 1140 CB ASN A 145 12.098 -16.595 7.725 1.00 69.11 C ATOM 1141 CG ASN A 145 11.030 -17.307 6.923 1.00 62.90 C ATOM 1142 OD1 ASN A 145 9.837 -17.121 7.158 1.00 51.05 O ATOM 1143 ND2 ASN A 145 11.452 -18.127 5.969 1.00 66.82 N ATOM 1144 HD22 ASN A 145 12.471 -18.254 5.805 1.00 0.00 H ATOM 1145 HD21 ASN A 145 10.764 -18.643 5.385 1.00 0.00 H ATOM 1146 H ASN A 145 13.563 -15.893 5.351 1.00 0.00 H ATOM 1147 N GLU A 146 12.739 -19.243 7.344 1.00 96.80 N ATOM 1148 CA GLU A 146 12.799 -20.684 7.111 1.00101.84 C ATOM 1149 C GLU A 146 13.977 -21.320 7.841 1.00105.55 C ATOM 1150 O GLU A 146 15.125 -21.177 7.422 1.00101.37 O ATOM 1151 CB GLU A 146 12.887 -20.988 5.616 1.00103.78 C ATOM 1152 CG GLU A 146 12.380 -22.371 5.244 1.00100.59 C ATOM 1153 CD GLU A 146 11.093 -22.725 5.958 1.00 94.85 C ATOM 1154 OE1 GLU A 146 10.927 -22.311 7.122 1.00 88.45 O ATOM 1155 OE2 GLU A 146 10.246 -23.414 5.353 1.00 94.81 O ATOM 1156 H GLU A 146 11.985 -18.864 7.952 1.00 0.00 H ATOM 1157 N GLN A 147 13.673 -22.034 8.920 1.00112.87 N ATOM 1158 CA GLN A 147 14.691 -22.703 9.716 1.00121.44 C ATOM 1159 C GLN A 147 14.922 -24.128 9.225 1.00127.37 C ATOM 1160 O GLN A 147 15.163 -24.355 8.037 1.00130.62 O ATOM 1161 CB GLN A 147 14.298 -22.707 11.196 1.00122.89 C ATOM 1162 CG GLN A 147 15.477 -22.556 12.145 1.00128.67 C ATOM 1163 CD GLN A 147 15.064 -22.128 13.541 1.00130.95 C ATOM 1164 OE1 GLN A 147 14.279 -22.803 14.202 1.00132.87 O ATOM 1165 NE2 GLN A 147 15.602 -21.004 13.998 1.00129.80 N ATOM 1166 HE22 GLN A 147 16.263 -20.464 13.403 1.00 0.00 H ATOM 1167 HE21 GLN A 147 15.363 -20.663 14.951 1.00 0.00 H ATOM 1168 H GLN A 147 12.676 -22.117 9.204 1.00 0.00 H TER 1169 GLN A 147 ATOM 1170 N HIS B 25 0.813 -18.289 -11.554 1.00112.75 N ATOM 1171 CA HIS B 25 1.563 -17.258 -12.267 1.00106.51 C ATOM 1172 C HIS B 25 1.283 -15.861 -11.711 1.00 93.23 C ATOM 1173 O HIS B 25 0.249 -15.626 -11.092 1.00 91.70 O ATOM 1174 CB HIS B 25 1.271 -17.317 -13.769 1.00109.63 C ATOM 1175 CG HIS B 25 1.823 -18.536 -14.442 1.00116.17 C ATOM 1176 ND1 HIS B 25 1.802 -18.709 -15.810 1.00118.97 N ATOM 1177 CD2 HIS B 25 2.415 -19.644 -13.935 1.00119.71 C ATOM 1178 CE1 HIS B 25 2.356 -19.868 -16.116 1.00119.75 C ATOM 1179 NE2 HIS B 25 2.737 -20.456 -14.995 1.00120.92 N ATOM 1180 HN3 HIS B 25 -0.206 -18.100 -11.645 1.00 0.00 H ATOM 1181 HN2 HIS B 25 1.081 -18.278 -10.549 1.00 0.00 H ATOM 1182 HN1 HIS B 25 1.032 -19.220 -11.962 1.00 0.00 H ATOM 1183 N ALA B 26 2.218 -14.946 -11.941 1.00 81.25 N ATOM 1184 CA ALA B 26 2.154 -13.591 -11.398 1.00 75.76 C ATOM 1185 C ALA B 26 0.887 -12.836 -11.790 1.00 73.97 C ATOM 1186 O ALA B 26 -0.132 -12.912 -11.107 1.00 83.09 O ATOM 1187 CB ALA B 26 3.383 -12.805 -11.827 1.00 69.65 C ATOM 1188 H ALA B 26 3.032 -15.206 -12.534 1.00 0.00 H ATOM 1189 N LEU B 27 0.970 -12.103 -12.892 1.00 65.25 N ATOM 1190 CA LEU B 27 -0.127 -11.254 -13.375 1.00 58.16 C ATOM 1191 C LEU B 27 -0.479 -10.051 -12.488 1.00 46.53 C ATOM 1192 O LEU B 27 -1.033 -10.175 -11.394 1.00 44.34 O ATOM 1193 CB LEU B 27 -1.374 -12.061 -13.771 1.00 52.42 C ATOM 1194 CG LEU B 27 -1.555 -12.172 -15.290 1.00 50.68 C ATOM 1195 CD1 LEU B 27 -0.295 -12.719 -15.973 1.00 42.06 C ATOM 1196 CD2 LEU B 27 -2.758 -13.021 -15.650 1.00 50.87 C ATOM 1197 H LEU B 27 1.853 -12.131 -13.440 1.00 0.00 H HETATM 1198 N MSE B 28 -0.129 -8.878 -12.993 1.00 31.84 N HETATM 1199 CA MSE B 28 -0.538 -7.629 -12.403 1.00 26.84 C HETATM 1200 C MSE B 28 -2.010 -7.411 -12.740 1.00 30.19 C HETATM 1201 O MSE B 28 -2.564 -8.086 -13.616 1.00 28.07 O HETATM 1202 CB MSE B 28 0.301 -6.486 -12.984 1.00 25.06 C HETATM 1203 CG MSE B 28 1.812 -6.753 -13.045 1.00 20.88 C HETATM 1204 SE MSE B 28 2.640 -6.802 -11.314 1.00 50.04 S HETATM 1205 CE MSE B 28 2.537 -4.922 -10.808 1.00 35.16 C HETATM 1206 H MSE B 28 0.463 -8.858 -13.848 1.00 0.00 H ATOM 1207 N THR B 29 -2.638 -6.473 -12.044 1.00 27.67 N ATOM 1208 CA THR B 29 -3.944 -5.955 -12.446 1.00 21.13 C ATOM 1209 C THR B 29 -3.750 -4.896 -13.549 1.00 12.21 C ATOM 1210 O THR B 29 -2.608 -4.461 -13.830 1.00 12.90 O ATOM 1211 CB THR B 29 -4.660 -5.307 -11.259 1.00 21.30 C ATOM 1212 OG1 THR B 29 -4.026 -4.062 -10.950 1.00 24.72 O ATOM 1213 CG2 THR B 29 -4.599 -6.241 -10.032 1.00 29.10 C ATOM 1214 HG1 THR B 29 -4.487 -3.640 -10.182 1.00 0.00 H ATOM 1215 H THR B 29 -2.188 -6.095 -11.186 1.00 0.00 H ATOM 1216 N ALA B 30 -4.845 -4.493 -14.173 1.00 22.22 N ATOM 1217 CA ALA B 30 -4.785 -3.480 -15.223 1.00 27.77 C ATOM 1218 C ALA B 30 -4.297 -2.154 -14.605 1.00 30.51 C ATOM 1219 O ALA B 30 -3.491 -1.435 -15.190 1.00 24.16 O ATOM 1220 CB ALA B 30 -6.141 -3.317 -15.865 1.00 15.19 C ATOM 1221 H ALA B 30 -5.764 -4.905 -13.911 1.00 0.00 H ATOM 1222 N GLU B 31 -4.775 -1.860 -13.401 1.00 25.90 N ATOM 1223 CA GLU B 31 -4.388 -0.645 -12.701 1.00 27.17 C ATOM 1224 C GLU B 31 -2.889 -0.610 -12.420 1.00 24.52 C ATOM 1225 O GLU B 31 -2.219 0.399 -12.657 1.00 29.92 O ATOM 1226 CB GLU B 31 -5.131 -0.554 -11.375 1.00 31.50 C ATOM 1227 CG GLU B 31 -4.689 0.614 -10.534 1.00 37.25 C ATOM 1228 CD GLU B 31 -5.399 0.663 -9.196 1.00 42.54 C ATOM 1229 OE1 GLU B 31 -5.666 -0.419 -8.615 1.00 37.45 O ATOM 1230 OE2 GLU B 31 -5.694 1.792 -8.743 1.00 36.22 O ATOM 1231 H GLU B 31 -5.443 -2.515 -12.947 1.00 0.00 H ATOM 1232 N GLU B 32 -2.372 -1.719 -11.900 1.00 19.90 N ATOM 1233 CA GLU B 32 -0.931 -1.875 -11.694 1.00 24.70 C ATOM 1234 C GLU B 32 -0.107 -1.713 -12.974 1.00 23.42 C ATOM 1235 O GLU B 32 0.957 -1.084 -12.974 1.00 22.59 O ATOM 1236 CB GLU B 32 -0.633 -3.239 -11.056 1.00 25.93 C ATOM 1237 CG GLU B 32 -1.121 -3.350 -9.609 1.00 19.08 C ATOM 1238 CD GLU B 32 -1.070 -4.775 -9.059 1.00 24.55 C ATOM 1239 OE1 GLU B 32 -0.859 -5.726 -9.834 1.00 24.42 O ATOM 1240 OE2 GLU B 32 -1.247 -4.950 -7.837 1.00 32.63 O ATOM 1241 H GLU B 32 -3.008 -2.497 -11.632 1.00 0.00 H ATOM 1242 N LEU B 33 -0.584 -2.302 -14.065 1.00 23.15 N ATOM 1243 CA LEU B 33 0.176 -2.269 -15.302 1.00 24.71 C ATOM 1244 C LEU B 33 0.310 -0.820 -15.717 1.00 19.41 C ATOM 1245 O LEU B 33 1.412 -0.356 -16.008 1.00 20.06 O ATOM 1246 CB LEU B 33 -0.537 -3.064 -16.405 1.00 21.75 C ATOM 1247 CG LEU B 33 0.157 -4.266 -17.044 1.00 26.60 C ATOM 1248 CD1 LEU B 33 1.230 -4.882 -16.167 1.00 24.88 C ATOM 1249 CD2 LEU B 33 -0.891 -5.314 -17.446 1.00 28.50 C ATOM 1250 H LEU B 33 -1.503 -2.788 -14.033 1.00 0.00 H ATOM 1251 N ALA B 34 -0.813 -0.104 -15.712 1.00 16.50 N ATOM 1252 CA ALA B 34 -0.807 1.282 -16.135 1.00 18.81 C ATOM 1253 C ALA B 34 0.084 2.120 -15.228 1.00 29.21 C ATOM 1254 O ALA B 34 0.928 2.878 -15.709 1.00 21.98 O ATOM 1255 CB ALA B 34 -2.219 1.856 -16.180 1.00 18.56 C ATOM 1256 H ALA B 34 -1.703 -0.544 -15.402 1.00 0.00 H ATOM 1257 N PHE B 35 -0.073 1.964 -13.917 1.00 24.04 N ATOM 1258 CA PHE B 35 0.676 2.821 -13.002 1.00 23.72 C ATOM 1259 C PHE B 35 2.165 2.487 -12.919 1.00 13.74 C ATOM 1260 O PHE B 35 2.993 3.398 -12.867 1.00 23.56 O ATOM 1261 CB PHE B 35 0.013 2.882 -11.618 1.00 26.56 C ATOM 1262 CG PHE B 35 -1.130 3.848 -11.559 1.00 26.33 C ATOM 1263 CD1 PHE B 35 -0.897 5.220 -11.584 1.00 24.23 C ATOM 1264 CD2 PHE B 35 -2.442 3.397 -11.525 1.00 27.66 C ATOM 1265 CE1 PHE B 35 -1.955 6.141 -11.550 1.00 24.34 C ATOM 1266 CE2 PHE B 35 -3.519 4.310 -11.488 1.00 21.85 C ATOM 1267 CZ PHE B 35 -3.266 5.690 -11.495 1.00 25.69 C ATOM 1268 H PHE B 35 -0.722 1.240 -13.547 1.00 0.00 H ATOM 1269 N PHE B 36 2.503 1.197 -12.907 1.00 18.40 N ATOM 1270 CA PHE B 36 3.904 0.794 -12.843 1.00 21.70 C ATOM 1271 C PHE B 36 4.618 1.266 -14.099 1.00 24.09 C ATOM 1272 O PHE B 36 5.768 1.694 -14.041 1.00 21.50 O ATOM 1273 CB PHE B 36 4.039 -0.728 -12.711 1.00 18.91 C ATOM 1274 CG PHE B 36 3.852 -1.236 -11.294 1.00 27.55 C ATOM 1275 CD1 PHE B 36 4.851 -1.965 -10.671 1.00 25.06 C ATOM 1276 CD2 PHE B 36 2.694 -0.948 -10.583 1.00 25.95 C ATOM 1277 CE1 PHE B 36 4.692 -2.418 -9.358 1.00 27.76 C ATOM 1278 CE2 PHE B 36 2.518 -1.407 -9.289 1.00 32.86 C ATOM 1279 CZ PHE B 36 3.523 -2.142 -8.670 1.00 27.73 C ATOM 1280 H PHE B 36 1.760 0.470 -12.944 1.00 0.00 H ATOM 1281 N ALA B 37 3.927 1.161 -15.235 1.00 24.54 N ATOM 1282 CA ALA B 37 4.455 1.659 -16.505 1.00 23.56 C ATOM 1283 C ALA B 37 4.725 3.171 -16.479 1.00 22.31 C ATOM 1284 O ALA B 37 5.743 3.636 -16.986 1.00 30.20 O ATOM 1285 CB ALA B 37 3.506 1.313 -17.638 1.00 21.39 C ATOM 1286 H ALA B 37 2.988 0.713 -15.217 1.00 0.00 H ATOM 1287 N ARG B 38 3.816 3.945 -15.903 1.00 24.01 N ATOM 1288 CA ARG B 38 4.020 5.389 -15.849 1.00 20.51 C ATOM 1289 C ARG B 38 5.115 5.810 -14.863 1.00 24.59 C ATOM 1290 O ARG B 38 5.902 6.714 -15.150 1.00 25.56 O ATOM 1291 CB ARG B 38 2.715 6.102 -15.536 1.00 27.24 C ATOM 1292 CG ARG B 38 1.730 6.066 -16.682 1.00 21.81 C ATOM 1293 CD ARG B 38 0.491 6.848 -16.359 1.00 26.40 C ATOM 1294 NE ARG B 38 0.788 8.234 -16.017 1.00 26.03 N ATOM 1295 CZ ARG B 38 1.003 9.200 -16.909 1.00 33.77 C ATOM 1296 NH1 ARG B 38 0.955 8.940 -18.214 1.00 27.21 N ATOM 1297 NH2 ARG B 38 1.262 10.439 -16.493 1.00 39.78 N ATOM 1298 HE ARG B 38 0.835 8.485 -15.009 1.00 0.00 H ATOM 1299 HH12 ARG B 38 1.124 9.701 -18.902 1.00 0.00 H ATOM 1300 HH11 ARG B 38 0.748 7.976 -18.545 1.00 0.00 H ATOM 1301 HH22 ARG B 38 1.430 11.196 -17.186 1.00 0.00 H ATOM 1302 HH21 ARG B 38 1.296 10.649 -15.475 1.00 0.00 H ATOM 1303 H ARG B 38 2.959 3.524 -15.490 1.00 0.00 H ATOM 1304 N PHE B 39 5.183 5.133 -13.719 1.00 24.22 N ATOM 1305 CA PHE B 39 6.174 5.474 -12.697 1.00 27.91 C ATOM 1306 C PHE B 39 7.543 4.913 -13.046 1.00 27.60 C ATOM 1307 O PHE B 39 8.568 5.486 -12.698 1.00 26.09 O ATOM 1308 CB PHE B 39 5.715 5.002 -11.309 1.00 24.85 C ATOM 1309 CG PHE B 39 4.755 5.943 -10.653 1.00 29.19 C ATOM 1310 CD1 PHE B 39 5.182 6.802 -9.655 1.00 28.48 C ATOM 1311 CD2 PHE B 39 3.426 6.005 -11.071 1.00 30.68 C ATOM 1312 CE1 PHE B 39 4.293 7.695 -9.057 1.00 33.20 C ATOM 1313 CE2 PHE B 39 2.536 6.882 -10.479 1.00 30.19 C ATOM 1314 CZ PHE B 39 2.973 7.737 -9.471 1.00 37.57 C ATOM 1315 H PHE B 39 4.521 4.349 -13.548 1.00 0.00 H ATOM 1316 N GLY B 40 7.554 3.801 -13.768 1.00 26.04 N ATOM 1317 CA GLY B 40 8.804 3.202 -14.197 1.00 31.98 C ATOM 1318 C GLY B 40 9.177 3.633 -15.600 1.00 35.52 C ATOM 1319 O GLY B 40 8.976 4.793 -15.973 1.00 34.95 O ATOM 1320 H GLY B 40 6.654 3.352 -14.031 1.00 0.00 H ATOM 1321 N ARG B 41 9.730 2.701 -16.370 1.00 33.95 N ATOM 1322 CA ARG B 41 10.021 2.938 -17.775 1.00 29.60 C ATOM 1323 C ARG B 41 10.120 1.639 -18.567 1.00 33.76 C ATOM 1324 O ARG B 41 10.215 0.554 -17.997 1.00 38.07 O ATOM 1325 CB ARG B 41 11.300 3.747 -17.933 1.00 33.77 C ATOM 1326 CG ARG B 41 12.490 3.157 -17.211 1.00 33.87 C ATOM 1327 CD ARG B 41 13.741 3.535 -17.955 1.00 40.64 C ATOM 1328 NE ARG B 41 13.633 3.190 -19.373 1.00 38.77 N ATOM 1329 CZ ARG B 41 14.391 3.713 -20.336 1.00 35.75 C ATOM 1330 NH1 ARG B 41 15.320 4.613 -20.041 1.00 36.02 N ATOM 1331 NH2 ARG B 41 14.217 3.333 -21.598 1.00 32.69 N ATOM 1332 HE ARG B 41 12.916 2.489 -19.648 1.00 0.00 H ATOM 1333 HH12 ARG B 41 15.909 5.019 -20.796 1.00 0.00 H ATOM 1334 HH11 ARG B 41 15.459 4.913 -19.055 1.00 0.00 H ATOM 1335 HH22 ARG B 41 14.808 3.741 -22.350 1.00 0.00 H ATOM 1336 HH21 ARG B 41 13.490 2.628 -21.833 1.00 0.00 H ATOM 1337 H ARG B 41 9.961 1.776 -15.956 1.00 0.00 H HETATM 1338 N MSE B 42 10.100 1.757 -19.889 1.00 20.11 N HETATM 1339 CA MSE B 42 10.088 0.591 -20.771 1.00 23.08 C HETATM 1340 C MSE B 42 11.493 0.218 -21.185 1.00 20.92 C HETATM 1341 O MSE B 42 12.380 1.070 -21.271 1.00 22.44 O HETATM 1342 CB MSE B 42 9.245 0.874 -22.026 1.00 30.34 C HETATM 1343 CG MSE B 42 7.888 1.491 -21.713 1.00 34.15 C HETATM 1344 SE MSE B 42 6.926 0.439 -20.374 1.00 29.86 S HETATM 1345 CE MSE B 42 6.562 -1.092 -21.504 1.00 14.21 C HETATM 1346 H MSE B 42 10.093 2.708 -20.310 1.00 0.00 H ATOM 1347 N ARG B 43 11.679 -1.059 -21.465 1.00 26.05 N ATOM 1348 CA ARG B 43 12.994 -1.606 -21.776 1.00 31.64 C ATOM 1349 C ARG B 43 12.810 -2.702 -22.826 1.00 34.06 C ATOM 1350 O ARG B 43 11.980 -3.605 -22.664 1.00 33.47 O ATOM 1351 CB ARG B 43 13.631 -2.173 -20.499 1.00 38.37 C ATOM 1352 CG ARG B 43 15.148 -2.186 -20.472 1.00 40.39 C ATOM 1353 CD ARG B 43 15.757 -0.793 -20.633 1.00 35.19 C ATOM 1354 NE ARG B 43 15.963 -0.048 -19.386 1.00 28.16 N ATOM 1355 CZ ARG B 43 16.610 1.120 -19.336 1.00 31.51 C ATOM 1356 NH1 ARG B 43 17.101 1.649 -20.451 1.00 37.60 N ATOM 1357 NH2 ARG B 43 16.787 1.767 -18.194 1.00 24.17 N ATOM 1358 HE ARG B 43 15.589 -0.447 -18.501 1.00 0.00 H ATOM 1359 HH12 ARG B 43 17.605 2.558 -20.417 1.00 0.00 H ATOM 1360 HH11 ARG B 43 16.981 1.154 -21.358 1.00 0.00 H ATOM 1361 HH22 ARG B 43 17.294 2.675 -18.184 1.00 0.00 H ATOM 1362 HH21 ARG B 43 16.418 1.367 -17.307 1.00 0.00 H ATOM 1363 H ARG B 43 10.858 -1.697 -21.464 1.00 0.00 H ATOM 1364 N GLU B 44 13.556 -2.597 -23.919 1.00 25.58 N ATOM 1365 CA GLU B 44 13.523 -3.607 -24.967 1.00 27.26 C ATOM 1366 C GLU B 44 14.705 -4.519 -24.776 1.00 28.07 C ATOM 1367 O GLU B 44 15.783 -4.073 -24.402 1.00 33.32 O ATOM 1368 CB GLU B 44 13.608 -2.948 -26.347 1.00 26.21 C ATOM 1369 CG GLU B 44 12.496 -1.952 -26.602 1.00 40.78 C ATOM 1370 CD GLU B 44 12.584 -1.298 -27.967 1.00 54.73 C ATOM 1371 OE1 GLU B 44 13.456 -1.696 -28.780 1.00 47.10 O ATOM 1372 OE2 GLU B 44 11.771 -0.382 -28.223 1.00 64.21 O ATOM 1373 H GLU B 44 14.180 -1.772 -24.029 1.00 0.00 H ATOM 1374 N ILE B 45 14.509 -5.802 -25.010 1.00 28.37 N ATOM 1375 CA ILE B 45 15.603 -6.732 -24.844 1.00 29.28 C ATOM 1376 C ILE B 45 15.500 -7.829 -25.891 1.00 29.54 C ATOM 1377 O ILE B 45 14.429 -8.407 -26.108 1.00 23.75 O ATOM 1378 CB ILE B 45 15.672 -7.298 -23.408 1.00 26.19 C ATOM 1379 CG1 ILE B 45 16.710 -8.417 -23.341 1.00 31.30 C ATOM 1380 CG2 ILE B 45 14.302 -7.775 -22.938 1.00 21.14 C ATOM 1381 CD1 ILE B 45 16.696 -9.193 -22.043 1.00 34.71 C ATOM 1382 H ILE B 45 13.574 -6.142 -25.312 1.00 0.00 H ATOM 1383 N ALA B 46 16.608 -8.085 -26.573 1.00 36.54 N ATOM 1384 CA ALA B 46 16.573 -8.978 -27.725 1.00 35.91 C ATOM 1385 C ALA B 46 16.565 -10.439 -27.315 1.00 32.18 C ATOM 1386 O ALA B 46 16.998 -10.793 -26.209 1.00 38.86 O ATOM 1387 CB ALA B 46 17.745 -8.682 -28.686 1.00 32.68 C ATOM 1388 H ALA B 46 17.506 -7.647 -26.285 1.00 0.00 H ATOM 1389 N ALA B 47 16.052 -11.273 -28.212 1.00 28.07 N ATOM 1390 CA ALA B 47 16.113 -12.718 -28.085 1.00 31.38 C ATOM 1391 C ALA B 47 17.535 -13.169 -27.771 1.00 40.27 C ATOM 1392 O ALA B 47 18.473 -12.837 -28.495 1.00 46.42 O ATOM 1393 CB ALA B 47 15.627 -13.366 -29.378 1.00 36.33 C ATOM 1394 H ALA B 47 15.583 -10.871 -29.048 1.00 0.00 H ATOM 1395 N GLY B 48 17.692 -13.910 -26.676 1.00 37.01 N ATOM 1396 CA GLY B 48 18.986 -14.432 -26.280 1.00 33.91 C ATOM 1397 C GLY B 48 19.759 -13.557 -25.314 1.00 37.59 C ATOM 1398 O GLY B 48 20.734 -14.006 -24.714 1.00 44.13 O ATOM 1399 H GLY B 48 16.861 -14.121 -26.087 1.00 0.00 H ATOM 1400 N GLN B 49 19.332 -12.309 -25.146 1.00 37.52 N ATOM 1401 CA GLN B 49 20.055 -11.389 -24.268 1.00 28.58 C ATOM 1402 C GLN B 49 19.769 -11.623 -22.793 1.00 27.03 C ATOM 1403 O GLN B 49 18.642 -11.922 -22.401 1.00 30.92 O ATOM 1404 CB GLN B 49 19.727 -9.935 -24.611 1.00 39.91 C ATOM 1405 CG GLN B 49 20.005 -9.542 -26.050 1.00 46.10 C ATOM 1406 CD GLN B 49 21.443 -9.801 -26.477 1.00 56.97 C ATOM 1407 OE1 GLN B 49 22.375 -9.689 -25.679 1.00 56.63 O ATOM 1408 NE2 GLN B 49 21.627 -10.151 -27.750 1.00 62.25 N ATOM 1409 HE22 GLN B 49 20.811 -10.234 -28.390 1.00 0.00 H ATOM 1410 HE21 GLN B 49 22.586 -10.341 -28.104 1.00 0.00 H ATOM 1411 H GLN B 49 18.478 -11.985 -25.642 1.00 0.00 H ATOM 1412 N ALA B 50 20.799 -11.453 -21.974 1.00 32.18 N ATOM 1413 CA ALA B 50 20.655 -11.564 -20.536 1.00 39.54 C ATOM 1414 C ALA B 50 20.176 -10.233 -19.974 1.00 41.31 C ATOM 1415 O ALA B 50 20.603 -9.167 -20.435 1.00 39.80 O ATOM 1416 CB ALA B 50 21.975 -11.957 -19.913 1.00 36.21 C ATOM 1417 H ALA B 50 21.734 -11.234 -22.374 1.00 0.00 H ATOM 1418 N LEU B 51 19.289 -10.302 -18.984 1.00 33.92 N ATOM 1419 CA LEU B 51 18.802 -9.120 -18.281 1.00 32.67 C ATOM 1420 C LEU B 51 19.608 -8.927 -16.994 1.00 35.39 C ATOM 1421 O LEU B 51 20.037 -7.815 -16.654 1.00 30.16 O ATOM 1422 CB LEU B 51 17.321 -9.293 -17.967 1.00 36.24 C ATOM 1423 CG LEU B 51 16.576 -8.135 -17.310 1.00 36.28 C ATOM 1424 CD1 LEU B 51 16.603 -6.900 -18.214 1.00 30.36 C ATOM 1425 CD2 LEU B 51 15.143 -8.568 -16.989 1.00 26.60 C ATOM 1426 H LEU B 51 18.929 -11.235 -18.700 1.00 0.00 H ATOM 1427 N PHE B 52 19.796 -10.033 -16.283 1.00 23.96 N ATOM 1428 CA PHE B 52 20.717 -10.098 -15.168 1.00 26.34 C ATOM 1429 C PHE B 52 21.102 -11.547 -14.884 1.00 32.04 C ATOM 1430 O PHE B 52 20.414 -12.490 -15.319 1.00 28.15 O ATOM 1431 CB PHE B 52 20.158 -9.422 -13.898 1.00 31.60 C ATOM 1432 CG PHE B 52 18.796 -9.913 -13.469 1.00 22.91 C ATOM 1433 CD1 PHE B 52 18.641 -11.131 -12.833 1.00 19.50 C ATOM 1434 CD2 PHE B 52 17.681 -9.125 -13.660 1.00 20.92 C ATOM 1435 CE1 PHE B 52 17.388 -11.566 -12.427 1.00 22.00 C ATOM 1436 CE2 PHE B 52 16.435 -9.544 -13.243 1.00 25.40 C ATOM 1437 CZ PHE B 52 16.287 -10.769 -12.626 1.00 28.12 C ATOM 1438 H PHE B 52 19.260 -10.887 -16.538 1.00 0.00 H ATOM 1439 N GLU B 53 22.207 -11.707 -14.154 1.00 29.60 N ATOM 1440 CA GLU B 53 22.724 -13.017 -13.770 1.00 32.26 C ATOM 1441 C GLU B 53 22.333 -13.388 -12.362 1.00 33.21 C ATOM 1442 O GLU B 53 22.190 -12.517 -11.491 1.00 30.62 O ATOM 1443 CB GLU B 53 24.251 -13.029 -13.854 1.00 31.18 C ATOM 1444 CG GLU B 53 24.796 -12.647 -15.222 1.00 37.12 C ATOM 1445 CD GLU B 53 24.190 -13.469 -16.345 1.00 45.71 C ATOM 1446 OE1 GLU B 53 23.981 -14.687 -16.167 1.00 52.01 O ATOM 1447 OE2 GLU B 53 23.921 -12.892 -17.414 1.00 55.21 O ATOM 1448 H GLU B 53 22.724 -10.859 -13.844 1.00 0.00 H ATOM 1449 N ARG B 54 22.190 -14.691 -12.135 1.00 34.99 N ATOM 1450 CA ARG B 54 21.890 -15.208 -10.810 1.00 32.71 C ATOM 1451 C ARG B 54 23.024 -14.831 -9.863 1.00 35.55 C ATOM 1452 O ARG B 54 24.197 -14.851 -10.245 1.00 37.02 O ATOM 1453 CB ARG B 54 21.726 -16.729 -10.858 1.00 36.45 C ATOM 1454 CG ARG B 54 21.291 -17.361 -9.542 1.00 40.50 C ATOM 1455 CD ARG B 54 20.944 -18.839 -9.721 1.00 49.15 C ATOM 1456 NE ARG B 54 22.102 -19.645 -10.111 1.00 53.12 N ATOM 1457 CZ ARG B 54 22.805 -20.413 -9.279 1.00 57.29 C ATOM 1458 NH1 ARG B 54 22.472 -20.505 -7.993 1.00 51.44 N ATOM 1459 NH2 ARG B 54 23.842 -21.105 -9.738 1.00 59.45 N ATOM 1460 HE ARG B 54 22.397 -19.616 -11.108 1.00 0.00 H ATOM 1461 HH12 ARG B 54 23.028 -21.108 -7.354 1.00 0.00 H ATOM 1462 HH11 ARG B 54 21.656 -19.974 -7.628 1.00 0.00 H ATOM 1463 HH22 ARG B 54 24.393 -21.706 -9.092 1.00 0.00 H ATOM 1464 HH21 ARG B 54 24.103 -21.046 -10.743 1.00 0.00 H ATOM 1465 H ARG B 54 22.296 -15.357 -12.926 1.00 0.00 H ATOM 1466 N GLY B 55 22.670 -14.457 -8.638 1.00 36.78 N ATOM 1467 CA GLY B 55 23.662 -14.095 -7.645 1.00 42.61 C ATOM 1468 C GLY B 55 24.101 -12.645 -7.704 1.00 45.16 C ATOM 1469 O GLY B 55 24.918 -12.216 -6.893 1.00 50.93 O ATOM 1470 H GLY B 55 21.661 -14.423 -8.387 1.00 0.00 H ATOM 1471 N ALA B 56 23.560 -11.885 -8.652 1.00 38.91 N ATOM 1472 CA ALA B 56 23.959 -10.494 -8.815 1.00 35.56 C ATOM 1473 C ALA B 56 23.145 -9.549 -7.935 1.00 39.44 C ATOM 1474 O ALA B 56 22.030 -9.862 -7.523 1.00 36.62 O ATOM 1475 CB ALA B 56 23.877 -10.066 -10.283 1.00 34.53 C ATOM 1476 H ALA B 56 22.842 -12.290 -9.286 1.00 0.00 H ATOM 1477 N VAL B 57 23.736 -8.397 -7.638 1.00 37.28 N ATOM 1478 CA VAL B 57 23.048 -7.319 -6.956 1.00 38.16 C ATOM 1479 C VAL B 57 21.976 -6.819 -7.925 1.00 34.00 C ATOM 1480 O VAL B 57 22.080 -7.038 -9.122 1.00 34.63 O ATOM 1481 CB VAL B 57 24.050 -6.190 -6.601 1.00 50.98 C ATOM 1482 CG1 VAL B 57 24.574 -5.516 -7.866 1.00 49.19 C ATOM 1483 CG2 VAL B 57 23.419 -5.172 -5.690 1.00 58.55 C ATOM 1484 H VAL B 57 24.732 -8.263 -7.906 1.00 0.00 H ATOM 1485 N GLY B 58 20.934 -6.172 -7.424 1.00 39.65 N ATOM 1486 CA GLY B 58 19.870 -5.707 -8.301 1.00 29.07 C ATOM 1487 C GLY B 58 18.731 -5.126 -7.498 1.00 23.65 C ATOM 1488 O GLY B 58 18.200 -5.787 -6.619 1.00 32.14 O ATOM 1489 H GLY B 58 20.876 -5.996 -6.401 1.00 0.00 H ATOM 1490 N THR B 59 18.350 -3.892 -7.799 1.00 29.12 N ATOM 1491 CA THR B 59 17.376 -3.192 -6.975 1.00 32.54 C ATOM 1492 C THR B 59 16.135 -2.765 -7.772 1.00 32.41 C ATOM 1493 O THR B 59 15.278 -2.057 -7.259 1.00 30.15 O ATOM 1494 CB THR B 59 18.016 -1.973 -6.307 1.00 34.04 C ATOM 1495 OG1 THR B 59 18.469 -1.071 -7.321 1.00 34.63 O ATOM 1496 CG2 THR B 59 19.220 -2.407 -5.444 1.00 30.41 C ATOM 1497 HG1 THR B 59 19.136 -1.527 -7.893 1.00 0.00 H ATOM 1498 H THR B 59 18.752 -3.419 -8.634 1.00 0.00 H ATOM 1499 N GLN B 60 16.034 -3.198 -9.023 1.00 18.60 N ATOM 1500 CA GLN B 60 14.831 -2.905 -9.794 1.00 27.18 C ATOM 1501 C GLN B 60 14.047 -4.176 -10.038 1.00 24.19 C ATOM 1502 O GLN B 60 14.626 -5.262 -10.082 1.00 30.08 O ATOM 1503 CB GLN B 60 15.172 -2.237 -11.127 1.00 31.76 C ATOM 1504 CG GLN B 60 16.029 -3.083 -12.007 1.00 39.80 C ATOM 1505 CD GLN B 60 17.495 -2.760 -11.894 1.00 45.44 C ATOM 1506 OE1 GLN B 60 18.185 -3.233 -10.987 1.00 44.12 O ATOM 1507 NE2 GLN B 60 17.991 -1.961 -12.832 1.00 47.04 N ATOM 1508 HE22 GLN B 60 17.370 -1.586 -13.577 1.00 0.00 H ATOM 1509 HE21 GLN B 60 19.000 -1.710 -12.821 1.00 0.00 H ATOM 1510 H GLN B 60 16.809 -3.744 -9.451 1.00 0.00 H HETATM 1511 N MSE B 61 12.727 -4.048 -10.161 1.00 19.16 N HETATM 1512 CA MSE B 61 11.900 -5.167 -10.579 1.00 18.86 C HETATM 1513 C MSE B 61 11.425 -4.956 -12.016 1.00 25.74 C HETATM 1514 O MSE B 61 11.587 -3.861 -12.577 1.00 26.37 O HETATM 1515 CB MSE B 61 10.691 -5.331 -9.678 1.00 13.02 C HETATM 1516 CG MSE B 61 9.654 -4.247 -9.862 1.00 22.12 C HETATM 1517 SE MSE B 61 8.035 -4.694 -8.884 1.00 31.15 S HETATM 1518 CE MSE B 61 7.119 -5.722 -10.267 1.00 31.16 C HETATM 1519 H MSE B 61 12.281 -3.132 -9.954 1.00 0.00 H ATOM 1520 N PHE B 62 10.815 -5.993 -12.588 1.00 20.16 N ATOM 1521 CA PHE B 62 10.369 -5.960 -13.988 1.00 22.67 C ATOM 1522 C PHE B 62 8.986 -6.558 -14.194 1.00 23.42 C ATOM 1523 O PHE B 62 8.581 -7.466 -13.477 1.00 22.93 O ATOM 1524 CB PHE B 62 11.358 -6.704 -14.888 1.00 20.92 C ATOM 1525 CG PHE B 62 12.753 -6.173 -14.806 1.00 30.95 C ATOM 1526 CD1 PHE B 62 13.156 -5.116 -15.610 1.00 32.33 C ATOM 1527 CD2 PHE B 62 13.656 -6.711 -13.908 1.00 27.98 C ATOM 1528 CE1 PHE B 62 14.452 -4.614 -15.523 1.00 37.31 C ATOM 1529 CE2 PHE B 62 14.945 -6.210 -13.815 1.00 31.85 C ATOM 1530 CZ PHE B 62 15.342 -5.163 -14.627 1.00 32.92 C ATOM 1531 H PHE B 62 10.649 -6.853 -12.026 1.00 0.00 H ATOM 1532 N ILE B 63 8.267 -6.040 -15.187 1.00 21.99 N ATOM 1533 CA ILE B 63 7.029 -6.676 -15.639 1.00 22.40 C ATOM 1534 C ILE B 63 7.145 -6.975 -17.137 1.00 23.64 C ATOM 1535 O ILE B 63 7.504 -6.106 -17.934 1.00 22.45 O ATOM 1536 CB ILE B 63 5.788 -5.805 -15.350 1.00 16.64 C ATOM 1537 CG1 ILE B 63 5.782 -5.353 -13.877 1.00 24.28 C ATOM 1538 CG2 ILE B 63 4.526 -6.556 -15.688 1.00 11.68 C ATOM 1539 CD1 ILE B 63 4.879 -4.172 -13.602 1.00 17.98 C ATOM 1540 H ILE B 63 8.591 -5.167 -15.650 1.00 0.00 H ATOM 1541 N VAL B 64 6.878 -8.215 -17.514 1.00 27.92 N ATOM 1542 CA VAL B 64 6.869 -8.574 -18.925 1.00 17.79 C ATOM 1543 C VAL B 64 5.608 -7.993 -19.557 1.00 19.42 C ATOM 1544 O VAL B 64 4.510 -8.199 -19.048 1.00 19.92 O ATOM 1545 CB VAL B 64 6.853 -10.103 -19.097 1.00 17.80 C ATOM 1546 CG1 VAL B 64 6.926 -10.483 -20.564 1.00 17.08 C ATOM 1547 CG2 VAL B 64 8.023 -10.749 -18.305 1.00 20.28 C ATOM 1548 H VAL B 64 6.673 -8.939 -16.796 1.00 0.00 H ATOM 1549 N VAL B 65 5.745 -7.269 -20.662 1.00 18.14 N ATOM 1550 CA VAL B 65 4.541 -6.851 -21.388 1.00 21.36 C ATOM 1551 C VAL B 65 4.464 -7.452 -22.791 1.00 24.99 C ATOM 1552 O VAL B 65 3.381 -7.617 -23.333 1.00 26.86 O ATOM 1553 CB VAL B 65 4.344 -5.327 -21.424 1.00 18.38 C ATOM 1554 CG1 VAL B 65 4.282 -4.755 -19.996 1.00 26.26 C ATOM 1555 CG2 VAL B 65 5.437 -4.673 -22.198 1.00 17.04 C ATOM 1556 H VAL B 65 6.690 -7.003 -21.007 1.00 0.00 H ATOM 1557 N THR B 66 5.612 -7.787 -23.374 1.00 24.33 N ATOM 1558 CA THR B 66 5.618 -8.583 -24.588 1.00 22.01 C ATOM 1559 C THR B 66 6.745 -9.586 -24.523 1.00 24.20 C ATOM 1560 O THR B 66 7.786 -9.310 -23.929 1.00 27.50 O ATOM 1561 CB THR B 66 5.854 -7.730 -25.866 1.00 35.70 C ATOM 1562 OG1 THR B 66 7.254 -7.552 -26.069 1.00 36.05 O ATOM 1563 CG2 THR B 66 5.214 -6.376 -25.756 1.00 38.30 C ATOM 1564 HG1 THR B 66 7.686 -8.436 -26.178 1.00 0.00 H ATOM 1565 H THR B 66 6.512 -7.476 -22.957 1.00 0.00 H ATOM 1566 N GLY B 67 6.536 -10.747 -25.136 1.00 21.33 N ATOM 1567 CA GLY B 67 7.589 -11.733 -25.286 1.00 20.29 C ATOM 1568 C GLY B 67 7.612 -12.697 -24.120 1.00 27.37 C ATOM 1569 O GLY B 67 6.564 -13.122 -23.610 1.00 25.13 O ATOM 1570 H GLY B 67 5.591 -10.954 -25.519 1.00 0.00 H ATOM 1571 N GLN B 68 8.813 -13.049 -23.690 1.00 24.63 N ATOM 1572 CA GLN B 68 8.941 -14.034 -22.632 1.00 32.48 C ATOM 1573 C GLN B 68 10.282 -13.952 -21.939 1.00 25.92 C ATOM 1574 O GLN B 68 11.320 -13.913 -22.599 1.00 25.62 O ATOM 1575 CB GLN B 68 8.753 -15.436 -23.204 1.00 34.43 C ATOM 1576 CG GLN B 68 8.945 -16.546 -22.198 1.00 35.43 C ATOM 1577 CD GLN B 68 8.726 -17.900 -22.823 1.00 33.86 C ATOM 1578 OE1 GLN B 68 7.598 -18.257 -23.158 1.00 31.81 O ATOM 1579 NE2 GLN B 68 9.806 -18.655 -23.004 1.00 27.97 N ATOM 1580 HE22 GLN B 68 10.739 -18.308 -22.703 1.00 0.00 H ATOM 1581 HE21 GLN B 68 9.717 -19.592 -23.446 1.00 0.00 H ATOM 1582 H GLN B 68 9.663 -12.621 -24.109 1.00 0.00 H ATOM 1583 N ILE B 69 10.266 -13.940 -20.603 1.00 20.45 N ATOM 1584 CA ILE B 69 11.511 -14.007 -19.856 1.00 10.69 C ATOM 1585 C ILE B 69 11.662 -15.368 -19.208 1.00 15.38 C ATOM 1586 O ILE B 69 10.709 -15.908 -18.648 1.00 25.54 O ATOM 1587 CB ILE B 69 11.601 -12.901 -18.792 1.00 23.48 C ATOM 1588 CG1 ILE B 69 11.740 -11.535 -19.471 1.00 23.36 C ATOM 1589 CG2 ILE B 69 12.759 -13.168 -17.813 1.00 25.34 C ATOM 1590 CD1 ILE B 69 12.912 -11.447 -20.451 1.00 30.32 C ATOM 1591 H ILE B 69 9.360 -13.883 -20.096 1.00 0.00 H ATOM 1592 N ASP B 70 12.864 -15.931 -19.289 1.00 23.88 N ATOM 1593 CA ASP B 70 13.143 -17.196 -18.633 1.00 27.76 C ATOM 1594 C ASP B 70 13.973 -16.959 -17.390 1.00 18.17 C ATOM 1595 O ASP B 70 14.974 -16.250 -17.436 1.00 24.64 O ATOM 1596 CB ASP B 70 13.897 -18.150 -19.564 1.00 35.74 C ATOM 1597 CG ASP B 70 13.040 -18.628 -20.724 1.00 36.52 C ATOM 1598 OD1 ASP B 70 11.811 -18.388 -20.697 1.00 30.20 O ATOM 1599 OD2 ASP B 70 13.598 -19.258 -21.649 1.00 42.93 O ATOM 1600 H ASP B 70 13.616 -15.458 -19.830 1.00 0.00 H ATOM 1601 N LEU B 71 13.548 -17.572 -16.294 1.00 22.60 N ATOM 1602 CA LEU B 71 14.292 -17.542 -15.049 1.00 25.39 C ATOM 1603 C LEU B 71 15.076 -18.840 -14.884 1.00 30.02 C ATOM 1604 O LEU B 71 14.520 -19.933 -15.021 1.00 29.90 O ATOM 1605 CB LEU B 71 13.338 -17.323 -13.873 1.00 17.40 C ATOM 1606 CG LEU B 71 12.565 -16.008 -13.952 1.00 24.87 C ATOM 1607 CD1 LEU B 71 11.697 -15.789 -12.706 1.00 26.23 C ATOM 1608 CD2 LEU B 71 13.537 -14.848 -14.150 1.00 26.31 C ATOM 1609 H LEU B 71 12.649 -18.093 -16.328 1.00 0.00 H ATOM 1610 N ASP B 72 16.373 -18.709 -14.612 1.00 25.89 N ATOM 1611 CA ASP B 72 17.249 -19.862 -14.409 1.00 30.63 C ATOM 1612 C ASP B 72 17.763 -19.885 -12.964 1.00 28.48 C ATOM 1613 O ASP B 72 18.640 -19.112 -12.604 1.00 30.28 O ATOM 1614 CB ASP B 72 18.428 -19.820 -15.390 1.00 29.63 C ATOM 1615 CG ASP B 72 19.212 -21.132 -15.428 1.00 36.31 C ATOM 1616 OD1 ASP B 72 19.139 -21.927 -14.466 1.00 32.16 O ATOM 1617 OD2 ASP B 72 19.913 -21.371 -16.433 1.00 44.05 O ATOM 1618 H ASP B 72 16.777 -17.753 -14.542 1.00 0.00 H ATOM 1619 N PHE B 73 17.223 -20.792 -12.156 1.00 29.14 N ATOM 1620 CA PHE B 73 17.563 -20.872 -10.744 1.00 35.69 C ATOM 1621 C PHE B 73 18.753 -21.759 -10.460 1.00 35.42 C ATOM 1622 O PHE B 73 19.007 -22.109 -9.309 1.00 35.04 O ATOM 1623 CB PHE B 73 16.371 -21.366 -9.944 1.00 30.00 C ATOM 1624 CG PHE B 73 15.209 -20.441 -9.985 1.00 35.32 C ATOM 1625 CD1 PHE B 73 15.003 -19.525 -8.969 1.00 26.32 C ATOM 1626 CD2 PHE B 73 14.326 -20.472 -11.050 1.00 35.83 C ATOM 1627 CE1 PHE B 73 13.934 -18.658 -9.014 1.00 24.34 C ATOM 1628 CE2 PHE B 73 13.250 -19.617 -11.093 1.00 31.12 C ATOM 1629 CZ PHE B 73 13.054 -18.706 -10.082 1.00 21.94 C ATOM 1630 H PHE B 73 16.535 -21.467 -12.546 1.00 0.00 H ATOM 1631 N GLY B 74 19.467 -22.137 -11.508 1.00 33.79 N ATOM 1632 CA GLY B 74 20.709 -22.860 -11.334 1.00 38.90 C ATOM 1633 C GLY B 74 20.472 -24.288 -10.903 1.00 46.66 C ATOM 1634 O GLY B 74 19.320 -24.730 -10.772 1.00 44.90 O ATOM 1635 H GLY B 74 19.132 -21.912 -12.467 1.00 0.00 H ATOM 1636 N GLU B 75 21.571 -25.005 -10.680 1.00 56.76 N ATOM 1637 CA GLU B 75 21.519 -26.438 -10.433 1.00 66.88 C ATOM 1638 C GLU B 75 20.657 -27.111 -11.508 1.00 59.64 C ATOM 1639 O GLU B 75 20.690 -26.708 -12.677 1.00 55.65 O ATOM 1640 CB GLU B 75 21.006 -26.715 -9.018 1.00 77.85 C ATOM 1641 CG GLU B 75 21.937 -26.199 -7.929 1.00 89.43 C ATOM 1642 CD GLU B 75 21.239 -26.017 -6.593 1.00 98.91 C ATOM 1643 OE1 GLU B 75 20.320 -25.170 -6.509 1.00 99.55 O ATOM 1644 OE2 GLU B 75 21.613 -26.718 -5.628 1.00102.21 O ATOM 1645 H GLU B 75 22.494 -24.527 -10.682 1.00 0.00 H ATOM 1646 N ASP B 76 19.870 -28.106 -11.116 1.00 41.35 N ATOM 1647 CA ASP B 76 19.099 -28.881 -12.093 1.00 33.16 C ATOM 1648 C ASP B 76 17.613 -28.555 -12.090 1.00 29.97 C ATOM 1649 O ASP B 76 16.773 -29.367 -12.495 1.00 33.03 O ATOM 1650 CB ASP B 76 19.322 -30.364 -11.851 1.00 31.01 C ATOM 1651 CG ASP B 76 20.741 -30.781 -12.163 1.00 41.83 C ATOM 1652 OD1 ASP B 76 21.227 -31.783 -11.586 1.00 36.45 O ATOM 1653 OD2 ASP B 76 21.365 -30.084 -12.990 1.00 47.04 O ATOM 1654 H ASP B 76 19.800 -28.338 -10.105 1.00 0.00 H ATOM 1655 N LEU B 77 17.288 -27.351 -11.646 1.00 28.36 N ATOM 1656 CA LEU B 77 15.898 -26.950 -11.529 1.00 24.79 C ATOM 1657 C LEU B 77 15.238 -26.660 -12.876 1.00 29.78 C ATOM 1658 O LEU B 77 15.904 -26.339 -13.869 1.00 31.17 O ATOM 1659 CB LEU B 77 15.782 -25.741 -10.598 1.00 38.03 C ATOM 1660 CG LEU B 77 16.213 -26.071 -9.166 1.00 47.00 C ATOM 1661 CD1 LEU B 77 16.350 -24.814 -8.313 1.00 44.48 C ATOM 1662 CD2 LEU B 77 15.223 -27.045 -8.541 1.00 44.45 C ATOM 1663 H LEU B 77 18.039 -26.683 -11.377 1.00 0.00 H HETATM 1664 N MSE B 78 13.920 -26.800 -12.901 1.00 25.22 N HETATM 1665 CA MSE B 78 13.124 -26.387 -14.048 1.00 30.88 C HETATM 1666 C MSE B 78 13.295 -24.892 -14.322 1.00 28.56 C HETATM 1667 O MSE B 78 13.438 -24.091 -13.397 1.00 28.50 O HETATM 1668 CB MSE B 78 11.645 -26.677 -13.780 1.00 33.75 C HETATM 1669 CG MSE B 78 11.292 -28.145 -13.811 1.00 41.73 C HETATM 1670 SE MSE B 78 11.202 -28.755 -15.635 1.00 60.67 S HETATM 1671 CE MSE B 78 9.408 -28.099 -16.051 1.00 48.55 C HETATM 1672 H MSE B 78 13.441 -27.217 -12.078 1.00 0.00 H ATOM 1673 N LEU B 79 13.283 -24.515 -15.593 1.00 34.11 N ATOM 1674 CA LEU B 79 13.197 -23.098 -15.937 1.00 34.23 C ATOM 1675 C LEU B 79 11.771 -22.601 -15.716 1.00 32.03 C ATOM 1676 O LEU B 79 10.819 -23.365 -15.869 1.00 33.95 O ATOM 1677 CB LEU B 79 13.613 -22.864 -17.386 1.00 31.19 C ATOM 1678 CG LEU B 79 15.081 -23.109 -17.725 1.00 32.93 C ATOM 1679 CD1 LEU B 79 15.298 -23.006 -19.234 1.00 37.11 C ATOM 1680 CD2 LEU B 79 15.945 -22.110 -16.982 1.00 32.74 C ATOM 1681 H LEU B 79 13.335 -25.230 -16.347 1.00 0.00 H ATOM 1682 N LYS B 80 11.631 -21.333 -15.323 1.00 32.75 N ATOM 1683 CA LYS B 80 10.326 -20.681 -15.319 1.00 27.12 C ATOM 1684 C LYS B 80 10.213 -19.727 -16.500 1.00 30.44 C ATOM 1685 O LYS B 80 11.153 -19.004 -16.834 1.00 34.90 O ATOM 1686 CB LYS B 80 10.047 -19.949 -14.004 1.00 33.80 C ATOM 1687 CG LYS B 80 9.723 -20.856 -12.837 1.00 37.80 C ATOM 1688 CD LYS B 80 9.236 -20.043 -11.623 1.00 48.89 C ATOM 1689 CE LYS B 80 8.940 -20.946 -10.416 1.00 50.03 C ATOM 1690 NZ LYS B 80 8.408 -20.197 -9.222 1.00 45.02 N ATOM 1691 HZ1 LYS B 80 9.107 -19.489 -8.918 1.00 0.00 H ATOM 1692 HZ2 LYS B 80 7.520 -19.720 -9.480 1.00 0.00 H ATOM 1693 HZ3 LYS B 80 8.230 -20.866 -8.446 1.00 0.00 H ATOM 1694 H LYS B 80 12.468 -20.800 -15.014 1.00 0.00 H ATOM 1695 N HIS B 81 9.046 -19.754 -17.126 1.00 26.29 N ATOM 1696 CA HIS B 81 8.756 -18.971 -18.314 1.00 22.06 C ATOM 1697 C HIS B 81 7.733 -17.926 -17.972 1.00 27.21 C ATOM 1698 O HIS B 81 6.613 -18.250 -17.542 1.00 25.80 O ATOM 1699 CB HIS B 81 8.247 -19.920 -19.392 1.00 23.18 C ATOM 1700 CG HIS B 81 9.204 -21.032 -19.665 1.00 28.34 C ATOM 1701 ND1 HIS B 81 10.444 -20.815 -20.236 1.00 30.58 N ATOM 1702 CD2 HIS B 81 9.151 -22.355 -19.381 1.00 33.92 C ATOM 1703 CE1 HIS B 81 11.093 -21.962 -20.325 1.00 30.20 C ATOM 1704 NE2 HIS B 81 10.327 -22.914 -19.816 1.00 33.42 N ATOM 1705 H HIS B 81 8.298 -20.369 -16.747 1.00 0.00 H ATOM 1706 N LEU B 82 8.121 -16.663 -18.123 1.00 29.39 N ATOM 1707 CA LEU B 82 7.220 -15.580 -17.748 1.00 31.71 C ATOM 1708 C LEU B 82 6.734 -14.810 -18.974 1.00 24.55 C ATOM 1709 O LEU B 82 7.526 -14.204 -19.709 1.00 26.43 O ATOM 1710 CB LEU B 82 7.852 -14.658 -16.697 1.00 28.54 C ATOM 1711 CG LEU B 82 7.908 -15.160 -15.242 1.00 29.97 C ATOM 1712 CD1 LEU B 82 8.809 -16.375 -15.045 1.00 29.78 C ATOM 1713 CD2 LEU B 82 8.356 -14.042 -14.339 1.00 25.02 C ATOM 1714 H LEU B 82 9.063 -16.449 -18.507 1.00 0.00 H ATOM 1715 N GLY B 83 5.422 -14.862 -19.194 1.00 26.42 N ATOM 1716 CA GLY B 83 4.802 -14.164 -20.310 1.00 22.28 C ATOM 1717 C GLY B 83 4.224 -12.823 -19.885 1.00 23.45 C ATOM 1718 O GLY B 83 4.339 -12.441 -18.715 1.00 24.80 O ATOM 1719 H GLY B 83 4.823 -15.417 -18.550 1.00 0.00 H ATOM 1720 N PRO B 84 3.594 -12.110 -20.836 1.00 29.32 N ATOM 1721 CA PRO B 84 3.039 -10.767 -20.630 1.00 27.88 C ATOM 1722 C PRO B 84 2.209 -10.654 -19.353 1.00 23.92 C ATOM 1723 O PRO B 84 1.418 -11.541 -19.043 1.00 21.59 O ATOM 1724 CB PRO B 84 2.170 -10.572 -21.877 1.00 29.91 C ATOM 1725 CG PRO B 84 2.942 -11.344 -22.966 1.00 23.72 C ATOM 1726 CD PRO B 84 3.484 -12.555 -22.247 1.00 21.40 C ATOM 1727 N GLY B 85 2.410 -9.583 -18.597 1.00 25.37 N ATOM 1728 CA GLY B 85 1.653 -9.400 -17.363 1.00 18.86 C ATOM 1729 C GLY B 85 2.284 -9.977 -16.101 1.00 32.60 C ATOM 1730 O GLY B 85 1.873 -9.649 -14.974 1.00 29.71 O ATOM 1731 H GLY B 85 3.110 -8.870 -18.885 1.00 0.00 H ATOM 1732 N GLU B 86 3.278 -10.837 -16.281 1.00 25.13 N ATOM 1733 CA GLU B 86 3.972 -11.445 -15.158 1.00 26.88 C ATOM 1734 C GLU B 86 5.154 -10.590 -14.705 1.00 29.35 C ATOM 1735 O GLU B 86 5.829 -9.950 -15.527 1.00 30.25 O ATOM 1736 CB GLU B 86 4.433 -12.863 -15.523 1.00 25.59 C ATOM 1737 CG GLU B 86 3.295 -13.871 -15.649 1.00 25.05 C ATOM 1738 CD GLU B 86 3.774 -15.254 -16.110 1.00 26.25 C ATOM 1739 OE1 GLU B 86 4.314 -16.004 -15.274 1.00 29.36 O ATOM 1740 OE2 GLU B 86 3.602 -15.591 -17.304 1.00 30.68 O ATOM 1741 H GLU B 86 3.568 -11.082 -17.249 1.00 0.00 H ATOM 1742 N PHE B 87 5.395 -10.587 -13.396 1.00 22.65 N ATOM 1743 CA PHE B 87 6.415 -9.740 -12.790 1.00 22.26 C ATOM 1744 C PHE B 87 7.475 -10.564 -12.091 1.00 18.78 C ATOM 1745 O PHE B 87 7.252 -11.727 -11.771 1.00 24.50 O ATOM 1746 CB PHE B 87 5.789 -8.752 -11.803 1.00 29.20 C ATOM 1747 CG PHE B 87 5.202 -9.396 -10.574 1.00 18.97 C ATOM 1748 CD1 PHE B 87 5.973 -9.584 -9.427 1.00 28.15 C ATOM 1749 CD2 PHE B 87 3.877 -9.787 -10.553 1.00 20.22 C ATOM 1750 CE1 PHE B 87 5.428 -10.177 -8.284 1.00 25.17 C ATOM 1751 CE2 PHE B 87 3.315 -10.357 -9.410 1.00 29.11 C ATOM 1752 CZ PHE B 87 4.098 -10.562 -8.276 1.00 29.39 C ATOM 1753 H PHE B 87 4.835 -11.212 -12.782 1.00 0.00 H ATOM 1754 N PHE B 88 8.642 -9.966 -11.893 1.00 21.38 N ATOM 1755 CA PHE B 88 9.744 -10.642 -11.197 1.00 22.35 C ATOM 1756 C PHE B 88 10.760 -9.610 -10.769 1.00 19.68 C ATOM 1757 O PHE B 88 10.767 -8.486 -11.281 1.00 21.05 O ATOM 1758 CB PHE B 88 10.431 -11.697 -12.087 1.00 16.07 C ATOM 1759 CG PHE B 88 11.038 -11.134 -13.363 1.00 24.21 C ATOM 1760 CD1 PHE B 88 12.401 -10.867 -13.450 1.00 24.31 C ATOM 1761 CD2 PHE B 88 10.249 -10.885 -14.476 1.00 24.81 C ATOM 1762 CE1 PHE B 88 12.966 -10.360 -14.618 1.00 23.58 C ATOM 1763 CE2 PHE B 88 10.807 -10.381 -15.656 1.00 23.23 C ATOM 1764 CZ PHE B 88 12.162 -10.124 -15.730 1.00 21.25 C ATOM 1765 H PHE B 88 8.780 -8.995 -12.239 1.00 0.00 H ATOM 1766 N GLY B 89 11.630 -9.998 -9.841 1.00 18.67 N ATOM 1767 CA GLY B 89 12.676 -9.106 -9.393 1.00 19.74 C ATOM 1768 C GLY B 89 12.252 -8.239 -8.229 1.00 24.01 C ATOM 1769 O GLY B 89 13.044 -7.413 -7.753 1.00 25.95 O ATOM 1770 H GLY B 89 11.557 -10.952 -9.434 1.00 0.00 H ATOM 1771 N GLU B 90 11.008 -8.413 -7.770 1.00 24.24 N ATOM 1772 CA GLU B 90 10.509 -7.632 -6.636 1.00 26.26 C ATOM 1773 C GLU B 90 11.340 -7.870 -5.359 1.00 23.86 C ATOM 1774 O GLU B 90 11.426 -6.994 -4.503 1.00 24.69 O ATOM 1775 CB GLU B 90 8.999 -7.847 -6.408 1.00 24.50 C ATOM 1776 CG GLU B 90 8.599 -9.039 -5.510 1.00 25.96 C ATOM 1777 CD GLU B 90 8.780 -10.404 -6.158 1.00 36.15 C ATOM 1778 OE1 GLU B 90 9.169 -10.484 -7.344 1.00 29.36 O ATOM 1779 OE2 GLU B 90 8.524 -11.410 -5.464 1.00 48.36 O ATOM 1780 H GLU B 90 10.387 -9.112 -8.224 1.00 0.00 H ATOM 1781 N LEU B 91 11.976 -9.034 -5.250 1.00 23.63 N ATOM 1782 CA LEU B 91 12.843 -9.285 -4.103 1.00 28.51 C ATOM 1783 C LEU B 91 14.047 -8.355 -4.151 1.00 25.78 C ATOM 1784 O LEU B 91 14.425 -7.778 -3.138 1.00 21.68 O ATOM 1785 CB LEU B 91 13.331 -10.737 -4.060 1.00 25.91 C ATOM 1786 CG LEU B 91 12.290 -11.859 -4.045 1.00 30.85 C ATOM 1787 CD1 LEU B 91 12.984 -13.228 -4.126 1.00 30.63 C ATOM 1788 CD2 LEU B 91 11.385 -11.774 -2.818 1.00 26.01 C ATOM 1789 H LEU B 91 11.855 -9.764 -5.981 1.00 0.00 H ATOM 1790 N GLY B 92 14.653 -8.226 -5.330 1.00 21.24 N ATOM 1791 CA GLY B 92 15.771 -7.319 -5.497 1.00 25.29 C ATOM 1792 C GLY B 92 15.339 -5.910 -5.148 1.00 27.96 C ATOM 1793 O GLY B 92 16.038 -5.168 -4.457 1.00 35.91 O ATOM 1794 H GLY B 92 14.319 -8.784 -6.142 1.00 0.00 H ATOM 1795 N LEU B 93 14.156 -5.550 -5.608 1.00 25.00 N ATOM 1796 CA LEU B 93 13.609 -4.235 -5.333 1.00 22.96 C ATOM 1797 C LEU B 93 13.397 -3.957 -3.839 1.00 27.42 C ATOM 1798 O LEU B 93 13.688 -2.865 -3.360 1.00 26.53 O ATOM 1799 CB LEU B 93 12.283 -4.075 -6.061 1.00 21.37 C ATOM 1800 CG LEU B 93 11.567 -2.734 -5.853 1.00 27.63 C ATOM 1801 CD1 LEU B 93 12.209 -1.632 -6.705 1.00 24.78 C ATOM 1802 CD2 LEU B 93 10.074 -2.863 -6.139 1.00 26.65 C ATOM 1803 H LEU B 93 13.605 -6.222 -6.179 1.00 0.00 H ATOM 1804 N LEU B 94 12.879 -4.946 -3.114 1.00 28.05 N ATOM 1805 CA LEU B 94 12.324 -4.720 -1.780 1.00 26.30 C ATOM 1806 C LEU B 94 13.305 -5.013 -0.641 1.00 35.83 C ATOM 1807 O LEU B 94 13.112 -4.565 0.487 1.00 39.59 O ATOM 1808 CB LEU B 94 11.067 -5.573 -1.593 1.00 26.03 C ATOM 1809 CG LEU B 94 9.847 -5.231 -2.451 1.00 27.98 C ATOM 1810 CD1 LEU B 94 8.814 -6.349 -2.414 1.00 30.70 C ATOM 1811 CD2 LEU B 94 9.232 -3.913 -2.010 1.00 32.96 C ATOM 1812 H LEU B 94 12.869 -5.908 -3.508 1.00 0.00 H ATOM 1813 N ILE B 95 14.350 -5.771 -0.939 1.00 31.39 N ATOM 1814 CA ILE B 95 15.295 -6.207 0.073 1.00 26.64 C ATOM 1815 C ILE B 95 16.682 -5.725 -0.320 1.00 35.75 C ATOM 1816 O ILE B 95 17.218 -6.136 -1.339 1.00 35.27 O ATOM 1817 CB ILE B 95 15.295 -7.732 0.170 1.00 22.89 C ATOM 1818 CG1 ILE B 95 13.866 -8.236 0.343 1.00 20.49 C ATOM 1819 CG2 ILE B 95 16.152 -8.217 1.336 1.00 27.47 C ATOM 1820 CD1 ILE B 95 13.728 -9.683 -0.057 1.00 27.43 C ATOM 1821 H ILE B 95 14.498 -6.062 -1.926 1.00 0.00 H ATOM 1822 N GLY B 96 17.257 -4.835 0.480 1.00 39.38 N ATOM 1823 CA GLY B 96 18.584 -4.323 0.194 1.00 38.32 C ATOM 1824 C GLY B 96 19.632 -5.420 0.233 1.00 34.20 C ATOM 1825 O GLY B 96 19.574 -6.313 1.086 1.00 24.21 O ATOM 1826 H GLY B 96 16.749 -4.500 1.323 1.00 0.00 H ATOM 1827 N ASP B 97 20.573 -5.352 -0.708 1.00 43.49 N ATOM 1828 CA ASP B 97 21.675 -6.308 -0.815 1.00 51.16 C ATOM 1829 C ASP B 97 21.236 -7.739 -1.105 1.00 48.88 C ATOM 1830 O ASP B 97 22.014 -8.673 -0.922 1.00 47.17 O ATOM 1831 CB ASP B 97 22.555 -6.275 0.435 1.00 66.14 C ATOM 1832 CG ASP B 97 23.067 -4.889 0.744 1.00 75.11 C ATOM 1833 OD1 ASP B 97 23.475 -4.172 -0.196 1.00 80.72 O ATOM 1834 OD2 ASP B 97 23.051 -4.513 1.932 1.00 79.60 O ATOM 1835 H ASP B 97 20.521 -4.579 -1.402 1.00 0.00 H ATOM 1836 N HIS B 98 19.993 -7.905 -1.550 1.00 44.50 N ATOM 1837 CA HIS B 98 19.512 -9.187 -2.057 1.00 37.58 C ATOM 1838 C HIS B 98 20.364 -9.601 -3.240 1.00 35.86 C ATOM 1839 O HIS B 98 20.743 -8.763 -4.056 1.00 36.46 O ATOM 1840 CB HIS B 98 18.066 -9.043 -2.529 1.00 33.74 C ATOM 1841 CG HIS B 98 17.516 -10.260 -3.208 1.00 31.10 C ATOM 1842 ND1 HIS B 98 17.251 -11.433 -2.533 1.00 26.28 N ATOM 1843 CD2 HIS B 98 17.144 -10.478 -4.496 1.00 25.87 C ATOM 1844 CE1 HIS B 98 16.755 -12.322 -3.375 1.00 30.69 C ATOM 1845 NE2 HIS B 98 16.681 -11.768 -4.575 1.00 27.89 N ATOM 1846 H HIS B 98 19.342 -7.094 -1.536 1.00 0.00 H ATOM 1847 N ALA B 99 20.676 -10.887 -3.336 1.00 27.57 N ATOM 1848 CA ALA B 99 21.352 -11.394 -4.522 1.00 27.47 C ATOM 1849 C ALA B 99 20.302 -12.074 -5.388 1.00 32.80 C ATOM 1850 O ALA B 99 19.447 -12.796 -4.868 1.00 37.93 O ATOM 1851 CB ALA B 99 22.442 -12.378 -4.141 1.00 34.78 C ATOM 1852 H ALA B 99 20.436 -11.537 -2.560 1.00 0.00 H ATOM 1853 N ARG B 100 20.351 -11.831 -6.695 1.00 37.30 N ATOM 1854 CA ARG B 100 19.336 -12.365 -7.603 1.00 36.94 C ATOM 1855 C ARG B 100 19.253 -13.885 -7.465 1.00 35.00 C ATOM 1856 O ARG B 100 20.252 -14.597 -7.657 1.00 33.46 O ATOM 1857 CB ARG B 100 19.629 -11.986 -9.065 1.00 32.82 C ATOM 1858 CG ARG B 100 19.567 -10.497 -9.403 1.00 36.53 C ATOM 1859 CD ARG B 100 18.189 -9.880 -9.200 1.00 32.72 C ATOM 1860 NE ARG B 100 18.089 -8.599 -9.892 1.00 26.11 N ATOM 1861 CZ ARG B 100 17.049 -7.776 -9.786 1.00 35.13 C ATOM 1862 NH1 ARG B 100 16.024 -8.104 -9.006 1.00 29.80 N ATOM 1863 NH2 ARG B 100 17.038 -6.617 -10.445 1.00 26.79 N ATOM 1864 HE ARG B 100 18.879 -8.312 -10.505 1.00 0.00 H ATOM 1865 HH12 ARG B 100 15.209 -7.463 -8.921 1.00 0.00 H ATOM 1866 HH11 ARG B 100 16.037 -9.002 -8.481 1.00 0.00 H ATOM 1867 HH22 ARG B 100 16.222 -5.977 -10.359 1.00 0.00 H ATOM 1868 HH21 ARG B 100 17.845 -6.353 -11.045 1.00 0.00 H ATOM 1869 H ARG B 100 21.125 -11.251 -7.078 1.00 0.00 H ATOM 1870 N SER B 101 18.063 -14.363 -7.108 1.00 31.90 N ATOM 1871 CA SER B 101 17.800 -15.791 -6.952 1.00 37.69 C ATOM 1872 C SER B 101 17.869 -16.558 -8.276 1.00 27.39 C ATOM 1873 O SER B 101 18.055 -17.766 -8.295 1.00 31.11 O ATOM 1874 CB SER B 101 16.417 -16.001 -6.361 1.00 25.55 C ATOM 1875 OG SER B 101 16.224 -15.153 -5.261 1.00 36.94 O ATOM 1876 HG SER B 101 15.320 -15.301 -4.887 1.00 0.00 H ATOM 1877 H SER B 101 17.288 -13.692 -6.933 1.00 0.00 H ATOM 1878 N ALA B 102 17.678 -15.867 -9.385 1.00 30.01 N ATOM 1879 CA ALA B 102 17.809 -16.546 -10.664 1.00 24.70 C ATOM 1880 C ALA B 102 18.466 -15.636 -11.660 1.00 26.64 C ATOM 1881 O ALA B 102 18.504 -14.414 -11.465 1.00 27.34 O ATOM 1882 CB ALA B 102 16.426 -17.018 -11.174 1.00 18.09 C ATOM 1883 H ALA B 102 17.438 -14.856 -9.344 1.00 0.00 H ATOM 1884 N GLY B 103 18.994 -16.236 -12.721 1.00 21.50 N ATOM 1885 CA GLY B 103 19.368 -15.483 -13.896 1.00 26.82 C ATOM 1886 C GLY B 103 18.131 -15.225 -14.743 1.00 27.37 C ATOM 1887 O GLY B 103 17.241 -16.088 -14.844 1.00 24.70 O ATOM 1888 H GLY B 103 19.141 -17.265 -12.706 1.00 0.00 H ATOM 1889 N ALA B 104 18.068 -14.038 -15.345 1.00 23.67 N ATOM 1890 CA ALA B 104 16.955 -13.673 -16.220 1.00 22.53 C ATOM 1891 C ALA B 104 17.454 -13.399 -17.627 1.00 26.64 C ATOM 1892 O ALA B 104 18.437 -12.682 -17.811 1.00 28.53 O ATOM 1893 CB ALA B 104 16.210 -12.442 -15.671 1.00 23.49 C ATOM 1894 H ALA B 104 18.833 -13.351 -15.188 1.00 0.00 H ATOM 1895 N SER B 105 16.763 -13.958 -18.618 1.00 31.51 N ATOM 1896 CA SER B 105 17.147 -13.765 -20.003 1.00 28.63 C ATOM 1897 C SER B 105 15.939 -13.846 -20.941 1.00 27.67 C ATOM 1898 O SER B 105 14.910 -14.435 -20.616 1.00 25.64 O ATOM 1899 CB SER B 105 18.242 -14.764 -20.411 1.00 27.63 C ATOM 1900 OG SER B 105 17.720 -16.071 -20.579 1.00 27.71 O ATOM 1901 HG SER B 105 17.319 -16.377 -19.727 1.00 0.00 H ATOM 1902 H SER B 105 15.933 -14.544 -18.395 1.00 0.00 H ATOM 1903 N ALA B 106 16.068 -13.218 -22.103 1.00 26.03 N ATOM 1904 CA ALA B 106 14.963 -13.140 -23.044 1.00 35.54 C ATOM 1905 C ALA B 106 14.995 -14.332 -23.989 1.00 34.49 C ATOM 1906 O ALA B 106 16.026 -14.643 -24.605 1.00 32.06 O ATOM 1907 CB ALA B 106 14.999 -11.822 -23.818 1.00 40.11 C ATOM 1908 H ALA B 106 16.977 -12.773 -22.345 1.00 0.00 H ATOM 1909 N SER B 107 13.858 -15.008 -24.073 1.00 30.93 N ATOM 1910 CA SER B 107 13.700 -16.147 -24.955 1.00 37.04 C ATOM 1911 C SER B 107 13.537 -15.637 -26.382 1.00 43.60 C ATOM 1912 O SER B 107 14.119 -16.169 -27.325 1.00 47.53 O ATOM 1913 CB SER B 107 12.454 -16.929 -24.542 1.00 33.51 C ATOM 1914 OG SER B 107 12.600 -18.293 -24.863 1.00 44.14 O ATOM 1915 HG SER B 107 11.785 -18.784 -24.589 1.00 0.00 H ATOM 1916 H SER B 107 13.052 -14.711 -23.486 1.00 0.00 H ATOM 1917 N VAL B 108 12.724 -14.596 -26.517 1.00 37.92 N ATOM 1918 CA VAL B 108 12.412 -13.977 -27.795 1.00 30.60 C ATOM 1919 C VAL B 108 12.510 -12.481 -27.546 1.00 32.99 C ATOM 1920 O VAL B 108 12.686 -12.071 -26.399 1.00 37.22 O ATOM 1921 CB VAL B 108 10.986 -14.344 -28.222 1.00 32.56 C ATOM 1922 CG1 VAL B 108 10.881 -15.853 -28.470 1.00 30.40 C ATOM 1923 CG2 VAL B 108 9.988 -13.928 -27.151 1.00 34.14 C ATOM 1924 H VAL B 108 12.286 -14.201 -25.660 1.00 0.00 H ATOM 1925 N ASP B 109 12.419 -11.668 -28.595 1.00 27.24 N ATOM 1926 CA ASP B 109 12.408 -10.216 -28.430 1.00 33.02 C ATOM 1927 C ASP B 109 11.312 -9.855 -27.436 1.00 33.28 C ATOM 1928 O ASP B 109 10.166 -10.269 -27.581 1.00 28.03 O ATOM 1929 CB ASP B 109 12.173 -9.494 -29.763 1.00 32.56 C ATOM 1930 CG ASP B 109 13.411 -9.476 -30.654 1.00 40.00 C ATOM 1931 OD1 ASP B 109 14.374 -10.227 -30.389 1.00 35.36 O ATOM 1932 OD2 ASP B 109 13.416 -8.696 -31.627 1.00 45.41 O ATOM 1933 H ASP B 109 12.354 -12.073 -29.551 1.00 0.00 H ATOM 1934 N SER B 110 11.672 -9.112 -26.403 1.00 28.43 N ATOM 1935 CA SER B 110 10.725 -8.866 -25.336 1.00 22.96 C ATOM 1936 C SER B 110 10.708 -7.405 -24.998 1.00 25.07 C ATOM 1937 O SER B 110 11.624 -6.662 -25.354 1.00 21.20 O ATOM 1938 CB SER B 110 11.111 -9.672 -24.089 1.00 20.22 C ATOM 1939 OG SER B 110 10.753 -11.025 -24.253 1.00 26.25 O ATOM 1940 HG SER B 110 11.226 -11.397 -25.039 1.00 0.00 H ATOM 1941 H SER B 110 12.629 -8.707 -26.357 1.00 0.00 H ATOM 1942 N ARG B 111 9.669 -7.000 -24.284 1.00 21.70 N ATOM 1943 CA ARG B 111 9.576 -5.640 -23.795 1.00 18.83 C ATOM 1944 C ARG B 111 9.108 -5.720 -22.354 1.00 21.67 C ATOM 1945 O ARG B 111 8.304 -6.587 -21.991 1.00 18.40 O ATOM 1946 CB ARG B 111 8.576 -4.832 -24.610 1.00 18.11 C ATOM 1947 CG ARG B 111 9.013 -4.476 -26.004 1.00 21.44 C ATOM 1948 CD ARG B 111 7.839 -3.850 -26.727 1.00 26.82 C ATOM 1949 NE ARG B 111 8.258 -2.854 -27.693 1.00 45.22 N ATOM 1950 CZ ARG B 111 7.416 -2.198 -28.479 1.00 48.12 C ATOM 1951 NH1 ARG B 111 6.117 -2.443 -28.389 1.00 41.79 N ATOM 1952 NH2 ARG B 111 7.874 -1.303 -29.344 1.00 56.89 N ATOM 1953 HE ARG B 111 9.273 -2.643 -27.774 1.00 0.00 H ATOM 1954 HH12 ARG B 111 5.448 -1.934 -29.001 1.00 0.00 H ATOM 1955 HH11 ARG B 111 5.766 -3.145 -27.706 1.00 0.00 H ATOM 1956 HH22 ARG B 111 7.212 -0.789 -29.960 1.00 0.00 H ATOM 1957 HH21 ARG B 111 8.895 -1.115 -29.406 1.00 0.00 H ATOM 1958 H ARG B 111 8.905 -7.672 -24.070 1.00 0.00 H ATOM 1959 N LEU B 112 9.619 -4.805 -21.543 1.00 26.27 N ATOM 1960 CA LEU B 112 9.440 -4.882 -20.114 1.00 18.59 C ATOM 1961 C LEU B 112 9.136 -3.520 -19.548 1.00 19.88 C ATOM 1962 O LEU B 112 9.626 -2.509 -20.043 1.00 27.61 O ATOM 1963 CB LEU B 112 10.721 -5.394 -19.457 1.00 19.24 C ATOM 1964 CG LEU B 112 11.401 -6.671 -19.942 1.00 19.23 C ATOM 1965 CD1 LEU B 112 12.680 -6.894 -19.160 1.00 20.67 C ATOM 1966 CD2 LEU B 112 10.490 -7.846 -19.758 1.00 24.20 C ATOM 1967 H LEU B 112 10.161 -4.014 -21.946 1.00 0.00 H ATOM 1968 N ILE B 113 8.332 -3.500 -18.493 1.00 28.74 N ATOM 1969 CA ILE B 113 8.315 -2.363 -17.582 1.00 26.96 C ATOM 1970 C ILE B 113 9.444 -2.577 -16.564 1.00 22.59 C ATOM 1971 O ILE B 113 9.555 -3.637 -15.933 1.00 20.74 O ATOM 1972 CB ILE B 113 6.968 -2.239 -16.859 1.00 31.54 C ATOM 1973 CG1 ILE B 113 5.840 -2.029 -17.877 1.00 31.71 C ATOM 1974 CG2 ILE B 113 7.008 -1.100 -15.813 1.00 24.99 C ATOM 1975 CD1 ILE B 113 4.471 -2.342 -17.299 1.00 30.52 C ATOM 1976 H ILE B 113 7.704 -4.309 -18.313 1.00 0.00 H ATOM 1977 N GLU B 114 10.311 -1.584 -16.458 1.00 26.50 N ATOM 1978 CA GLU B 114 11.407 -1.604 -15.508 1.00 23.19 C ATOM 1979 C GLU B 114 11.054 -0.584 -14.438 1.00 27.21 C ATOM 1980 O GLU B 114 10.807 0.578 -14.746 1.00 24.25 O ATOM 1981 CB GLU B 114 12.711 -1.230 -16.205 1.00 30.55 C ATOM 1982 CG GLU B 114 13.924 -1.159 -15.293 1.00 42.35 C ATOM 1983 CD GLU B 114 15.180 -0.720 -16.032 1.00 40.63 C ATOM 1984 OE1 GLU B 114 15.709 -1.505 -16.844 1.00 37.81 O ATOM 1985 OE2 GLU B 114 15.635 0.418 -15.803 1.00 45.30 O ATOM 1986 H GLU B 114 10.203 -0.757 -17.080 1.00 0.00 H ATOM 1987 N LEU B 115 11.007 -1.040 -13.187 1.00 21.80 N ATOM 1988 CA LEU B 115 10.646 -0.198 -12.047 1.00 29.02 C ATOM 1989 C LEU B 115 11.798 -0.156 -11.046 1.00 24.73 C ATOM 1990 O LEU B 115 12.143 -1.171 -10.444 1.00 22.22 O ATOM 1991 CB LEU B 115 9.388 -0.759 -11.382 1.00 23.35 C ATOM 1992 CG LEU B 115 8.415 0.051 -10.515 1.00 33.60 C ATOM 1993 CD1 LEU B 115 8.927 0.174 -9.139 1.00 36.42 C ATOM 1994 CD2 LEU B 115 8.046 1.426 -11.094 1.00 23.34 C ATOM 1995 H LEU B 115 11.237 -2.039 -13.013 1.00 0.00 H ATOM 1996 N ALA B 116 12.387 1.022 -10.866 1.00 26.47 N ATOM 1997 CA ALA B 116 13.513 1.177 -9.955 1.00 27.29 C ATOM 1998 C ALA B 116 13.091 1.507 -8.529 1.00 32.15 C ATOM 1999 O ALA B 116 11.934 1.855 -8.253 1.00 34.81 O ATOM 2000 CB ALA B 116 14.491 2.241 -10.476 1.00 30.76 C ATOM 2001 H ALA B 116 12.036 1.851 -11.387 1.00 0.00 H ATOM 2002 N HIS B 117 14.063 1.395 -7.632 1.00 23.13 N ATOM 2003 CA HIS B 117 13.884 1.669 -6.218 1.00 33.82 C ATOM 2004 C HIS B 117 13.156 2.989 -5.946 1.00 31.42 C ATOM 2005 O HIS B 117 12.196 3.025 -5.174 1.00 29.78 O ATOM 2006 CB HIS B 117 15.259 1.678 -5.543 1.00 40.94 C ATOM 2007 CG HIS B 117 15.196 1.704 -4.052 1.00 48.15 C ATOM 2008 ND1 HIS B 117 15.225 2.877 -3.328 1.00 50.84 N ATOM 2009 CD2 HIS B 117 15.090 0.702 -3.148 1.00 50.16 C ATOM 2010 CE1 HIS B 117 15.149 2.593 -2.040 1.00 53.23 C ATOM 2011 NE2 HIS B 117 15.065 1.281 -1.904 1.00 51.67 N ATOM 2012 H HIS B 117 15.003 1.095 -7.960 1.00 0.00 H ATOM 2013 N ASP B 118 13.613 4.064 -6.587 1.00 31.26 N ATOM 2014 CA ASP B 118 13.036 5.390 -6.398 1.00 32.67 C ATOM 2015 C ASP B 118 11.630 5.489 -6.972 1.00 33.12 C ATOM 2016 O ASP B 118 10.751 6.134 -6.380 1.00 27.69 O ATOM 2017 CB ASP B 118 13.920 6.471 -7.044 1.00 47.18 C ATOM 2018 CG ASP B 118 15.242 6.667 -6.312 1.00 53.52 C ATOM 2019 OD1 ASP B 118 15.369 6.149 -5.178 1.00 47.51 O ATOM 2020 OD2 ASP B 118 16.147 7.340 -6.869 1.00 52.36 O ATOM 2021 H ASP B 118 14.410 3.953 -7.246 1.00 0.00 H ATOM 2022 N ASP B 119 11.425 4.860 -8.130 1.00 24.62 N ATOM 2023 CA ASP B 119 10.114 4.820 -8.749 1.00 23.62 C ATOM 2024 C ASP B 119 9.115 4.181 -7.802 1.00 23.57 C ATOM 2025 O ASP B 119 8.003 4.678 -7.627 1.00 27.24 O ATOM 2026 CB ASP B 119 10.159 4.024 -10.062 1.00 27.37 C ATOM 2027 CG ASP B 119 11.182 4.566 -11.038 1.00 32.54 C ATOM 2028 OD1 ASP B 119 11.518 5.762 -10.941 1.00 29.88 O ATOM 2029 OD2 ASP B 119 11.654 3.795 -11.901 1.00 31.85 O ATOM 2030 H ASP B 119 12.223 4.387 -8.600 1.00 0.00 H ATOM 2031 N PHE B 120 9.511 3.063 -7.198 1.00 24.80 N ATOM 2032 CA PHE B 120 8.633 2.362 -6.280 1.00 27.86 C ATOM 2033 C PHE B 120 8.332 3.227 -5.057 1.00 27.47 C ATOM 2034 O PHE B 120 7.192 3.259 -4.579 1.00 28.95 O ATOM 2035 CB PHE B 120 9.217 0.997 -5.868 1.00 30.75 C ATOM 2036 CG PHE B 120 8.368 0.253 -4.877 1.00 35.19 C ATOM 2037 CD1 PHE B 120 7.234 -0.432 -5.288 1.00 33.51 C ATOM 2038 CD2 PHE B 120 8.694 0.261 -3.521 1.00 41.78 C ATOM 2039 CE1 PHE B 120 6.437 -1.110 -4.362 1.00 23.70 C ATOM 2040 CE2 PHE B 120 7.908 -0.411 -2.597 1.00 37.16 C ATOM 2041 CZ PHE B 120 6.774 -1.093 -3.021 1.00 33.11 C ATOM 2042 H PHE B 120 10.462 2.687 -7.387 1.00 0.00 H ATOM 2043 N GLN B 121 9.335 3.943 -4.556 1.00 29.51 N ATOM 2044 CA GLN B 121 9.079 4.793 -3.400 1.00 34.25 C ATOM 2045 C GLN B 121 8.057 5.869 -3.753 1.00 35.23 C ATOM 2046 O GLN B 121 7.167 6.181 -2.956 1.00 33.45 O ATOM 2047 CB GLN B 121 10.361 5.406 -2.831 1.00 34.38 C ATOM 2048 CG GLN B 121 10.102 6.290 -1.610 1.00 40.79 C ATOM 2049 CD GLN B 121 9.367 5.553 -0.488 1.00 35.25 C ATOM 2050 OE1 GLN B 121 8.343 6.018 0.007 1.00 47.25 O ATOM 2051 NE2 GLN B 121 9.891 4.404 -0.090 1.00 32.38 N ATOM 2052 HE22 GLN B 121 10.760 4.046 -0.536 1.00 0.00 H ATOM 2053 HE21 GLN B 121 9.434 3.859 0.669 1.00 0.00 H ATOM 2054 H GLN B 121 10.283 3.897 -4.981 1.00 0.00 H ATOM 2055 N ARG B 122 8.171 6.408 -4.965 1.00 32.02 N ATOM 2056 CA ARG B 122 7.224 7.406 -5.452 1.00 31.85 C ATOM 2057 C ARG B 122 5.812 6.852 -5.492 1.00 37.88 C ATOM 2058 O ARG B 122 4.877 7.487 -4.989 1.00 41.01 O ATOM 2059 CB ARG B 122 7.625 7.912 -6.837 1.00 32.46 C ATOM 2060 CG ARG B 122 8.851 8.780 -6.808 1.00 40.01 C ATOM 2061 CD ARG B 122 9.266 9.246 -8.185 1.00 48.57 C ATOM 2062 NE ARG B 122 10.673 9.615 -8.160 1.00 58.60 N ATOM 2063 CZ ARG B 122 11.648 8.891 -8.695 1.00 57.18 C ATOM 2064 NH1 ARG B 122 11.366 7.772 -9.336 1.00 41.89 N ATOM 2065 NH2 ARG B 122 12.905 9.303 -8.606 1.00 70.43 N ATOM 2066 HE ARG B 122 10.932 10.506 -7.691 1.00 0.00 H ATOM 2067 HH12 ARG B 122 12.131 7.206 -9.755 1.00 0.00 H ATOM 2068 HH11 ARG B 122 10.379 7.457 -9.422 1.00 0.00 H ATOM 2069 HH22 ARG B 122 13.669 8.736 -9.025 1.00 0.00 H ATOM 2070 HH21 ARG B 122 13.127 10.194 -8.117 1.00 0.00 H ATOM 2071 H ARG B 122 8.955 6.110 -5.580 1.00 0.00 H ATOM 2072 N LEU B 123 5.677 5.662 -6.081 1.00 29.43 N ATOM 2073 CA LEU B 123 4.406 4.940 -6.166 1.00 24.79 C ATOM 2074 C LEU B 123 3.762 4.738 -4.793 1.00 26.34 C ATOM 2075 O LEU B 123 2.570 5.004 -4.603 1.00 28.40 O ATOM 2076 CB LEU B 123 4.660 3.573 -6.801 1.00 22.39 C ATOM 2077 CG LEU B 123 3.585 2.907 -7.647 1.00 28.30 C ATOM 2078 CD1 LEU B 123 2.737 3.918 -8.386 1.00 29.74 C ATOM 2079 CD2 LEU B 123 4.255 1.955 -8.630 1.00 30.14 C ATOM 2080 H LEU B 123 6.521 5.224 -6.503 1.00 0.00 H ATOM 2081 N VAL B 124 4.559 4.259 -3.839 1.00 26.00 N ATOM 2082 CA VAL B 124 4.073 4.068 -2.478 1.00 36.11 C ATOM 2083 C VAL B 124 3.508 5.384 -1.948 1.00 33.74 C ATOM 2084 O VAL B 124 2.435 5.404 -1.348 1.00 29.31 O ATOM 2085 CB VAL B 124 5.187 3.584 -1.521 1.00 37.70 C ATOM 2086 CG1 VAL B 124 4.650 3.456 -0.119 1.00 44.69 C ATOM 2087 CG2 VAL B 124 5.727 2.270 -1.969 1.00 39.21 C ATOM 2088 H VAL B 124 5.544 4.017 -4.069 1.00 0.00 H ATOM 2089 N ASP B 125 4.225 6.476 -2.211 1.00 36.73 N ATOM 2090 CA ASP B 125 3.833 7.803 -1.744 1.00 42.57 C ATOM 2091 C ASP B 125 2.527 8.266 -2.370 1.00 49.47 C ATOM 2092 O ASP B 125 1.642 8.781 -1.689 1.00 52.72 O ATOM 2093 CB ASP B 125 4.916 8.835 -2.067 1.00 43.51 C ATOM 2094 CG ASP B 125 6.178 8.625 -1.269 1.00 45.18 C ATOM 2095 OD1 ASP B 125 6.080 8.059 -0.157 1.00 37.15 O ATOM 2096 OD2 ASP B 125 7.265 9.028 -1.753 1.00 46.33 O ATOM 2097 H ASP B 125 5.097 6.380 -2.770 1.00 0.00 H ATOM 2098 N HIS B 126 2.421 8.098 -3.679 1.00 44.72 N ATOM 2099 CA HIS B 126 1.240 8.544 -4.403 1.00 37.77 C ATOM 2100 C HIS B 126 0.059 7.600 -4.196 1.00 32.70 C ATOM 2101 O HIS B 126 -1.089 8.043 -4.082 1.00 35.84 O ATOM 2102 CB HIS B 126 1.562 8.704 -5.896 1.00 30.46 C ATOM 2103 CG HIS B 126 0.356 8.911 -6.760 1.00 39.68 C ATOM 2104 ND1 HIS B 126 -0.311 7.869 -7.369 1.00 46.14 N ATOM 2105 CD2 HIS B 126 -0.300 10.039 -7.124 1.00 42.17 C ATOM 2106 CE1 HIS B 126 -1.326 8.345 -8.069 1.00 48.36 C ATOM 2107 NE2 HIS B 126 -1.343 9.659 -7.936 1.00 47.31 N ATOM 2108 H HIS B 126 3.196 7.639 -4.199 1.00 0.00 H ATOM 2109 N ASP B 127 0.322 6.298 -4.145 1.00 27.13 N ATOM 2110 CA ASP B 127 -0.788 5.352 -4.053 1.00 30.16 C ATOM 2111 C ASP B 127 -0.515 4.167 -3.125 1.00 26.51 C ATOM 2112 O ASP B 127 -0.375 3.030 -3.587 1.00 26.66 O ATOM 2113 CB ASP B 127 -1.166 4.847 -5.442 1.00 31.80 C ATOM 2114 CG ASP B 127 -2.572 4.286 -5.491 1.00 40.63 C ATOM 2115 OD1 ASP B 127 -3.138 3.957 -4.427 1.00 37.13 O ATOM 2116 OD2 ASP B 127 -3.111 4.166 -6.601 1.00 38.64 O ATOM 2117 H ASP B 127 1.304 5.957 -4.170 1.00 0.00 H ATOM 2118 N PRO B 128 -0.473 4.423 -1.812 1.00 26.86 N ATOM 2119 CA PRO B 128 -0.118 3.343 -0.894 1.00 24.84 C ATOM 2120 C PRO B 128 -1.088 2.183 -0.933 1.00 22.42 C ATOM 2121 O PRO B 128 -0.663 1.042 -0.737 1.00 24.55 O ATOM 2122 CB PRO B 128 -0.119 4.023 0.480 1.00 20.05 C ATOM 2123 CG PRO B 128 -0.907 5.291 0.295 1.00 21.95 C ATOM 2124 CD PRO B 128 -0.679 5.707 -1.116 1.00 25.02 C ATOM 2125 N SER B 129 -2.359 2.452 -1.207 1.00 20.09 N ATOM 2126 CA SER B 129 -3.350 1.385 -1.212 1.00 19.86 C ATOM 2127 C SER B 129 -3.080 0.352 -2.308 1.00 32.76 C ATOM 2128 O SER B 129 -3.161 -0.861 -2.081 1.00 24.66 O ATOM 2129 CB SER B 129 -4.754 1.968 -1.350 1.00 27.17 C ATOM 2130 OG SER B 129 -5.730 0.947 -1.303 1.00 33.69 O ATOM 2131 HG SER B 129 -6.630 1.348 -1.394 1.00 0.00 H ATOM 2132 H SER B 129 -2.648 3.428 -1.419 1.00 0.00 H HETATM 2133 N MSE B 130 -2.767 0.840 -3.501 1.00 30.14 N HETATM 2134 CA MSE B 130 -2.501 -0.046 -4.617 1.00 28.79 C HETATM 2135 C MSE B 130 -1.241 -0.846 -4.355 1.00 20.76 C HETATM 2136 O MSE B 130 -1.215 -2.042 -4.621 1.00 20.47 O HETATM 2137 CB MSE B 130 -2.373 0.730 -5.935 1.00 32.01 C HETATM 2138 CG MSE B 130 -2.224 -0.166 -7.150 1.00 30.54 C HETATM 2139 SE MSE B 130 -1.313 0.770 -8.587 1.00 46.11 S HETATM 2140 CE MSE B 130 0.417 0.982 -7.728 1.00 54.13 C HETATM 2141 H MSE B 130 -2.712 1.870 -3.637 1.00 0.00 H ATOM 2142 N VAL B 131 -0.213 -0.189 -3.811 1.00 19.64 N ATOM 2143 CA VAL B 131 1.038 -0.868 -3.467 1.00 23.09 C ATOM 2144 C VAL B 131 0.845 -1.962 -2.408 1.00 23.00 C ATOM 2145 O VAL B 131 1.426 -3.040 -2.509 1.00 22.64 O ATOM 2146 CB VAL B 131 2.121 0.142 -3.021 1.00 26.07 C ATOM 2147 CG1 VAL B 131 3.348 -0.565 -2.467 1.00 19.73 C ATOM 2148 CG2 VAL B 131 2.508 1.033 -4.189 1.00 19.35 C ATOM 2149 H VAL B 131 -0.303 0.831 -3.627 1.00 0.00 H ATOM 2150 N ALA B 132 0.003 -1.694 -1.414 1.00 29.28 N ATOM 2151 CA ALA B 132 -0.249 -2.657 -0.341 1.00 25.63 C ATOM 2152 C ALA B 132 -0.874 -3.923 -0.916 1.00 20.10 C ATOM 2153 O ALA B 132 -0.517 -5.046 -0.552 1.00 21.73 O ATOM 2154 CB ALA B 132 -1.168 -2.029 0.729 1.00 25.10 C ATOM 2155 H ALA B 132 -0.488 -0.778 -1.399 1.00 0.00 H ATOM 2156 N HIS B 133 -1.812 -3.725 -1.840 1.00 20.46 N ATOM 2157 CA HIS B 133 -2.483 -4.841 -2.495 1.00 28.80 C ATOM 2158 C HIS B 133 -1.483 -5.647 -3.336 1.00 27.63 C ATOM 2159 O HIS B 133 -1.469 -6.894 -3.301 1.00 23.41 O ATOM 2160 CB HIS B 133 -3.661 -4.327 -3.332 1.00 32.33 C ATOM 2161 CG HIS B 133 -4.480 -5.416 -3.952 1.00 52.12 C ATOM 2162 ND1 HIS B 133 -5.141 -6.367 -3.204 1.00 63.31 N ATOM 2163 CD2 HIS B 133 -4.743 -5.703 -5.249 1.00 52.88 C ATOM 2164 CE1 HIS B 133 -5.774 -7.196 -4.016 1.00 67.14 C ATOM 2165 NE2 HIS B 133 -5.548 -6.817 -5.261 1.00 62.49 N ATOM 2166 H HIS B 133 -2.072 -2.752 -2.100 1.00 0.00 H ATOM 2167 N PHE B 134 -0.617 -4.942 -4.060 1.00 20.57 N ATOM 2168 CA PHE B 134 0.480 -5.613 -4.753 1.00 19.08 C ATOM 2169 C PHE B 134 1.399 -6.394 -3.802 1.00 21.87 C ATOM 2170 O PHE B 134 1.689 -7.572 -4.041 1.00 25.23 O ATOM 2171 CB PHE B 134 1.314 -4.618 -5.578 1.00 21.59 C ATOM 2172 CG PHE B 134 2.570 -5.219 -6.140 1.00 22.74 C ATOM 2173 CD1 PHE B 134 2.506 -6.137 -7.192 1.00 27.31 C ATOM 2174 CD2 PHE B 134 3.811 -4.890 -5.618 1.00 16.63 C ATOM 2175 CE1 PHE B 134 3.656 -6.717 -7.700 1.00 21.22 C ATOM 2176 CE2 PHE B 134 4.966 -5.462 -6.120 1.00 22.88 C ATOM 2177 CZ PHE B 134 4.895 -6.378 -7.165 1.00 24.56 C ATOM 2178 H PHE B 134 -0.722 -3.910 -4.133 1.00 0.00 H ATOM 2179 N LEU B 135 1.880 -5.738 -2.741 1.00 16.62 N ATOM 2180 CA LEU B 135 2.807 -6.401 -1.807 1.00 13.79 C ATOM 2181 C LEU B 135 2.182 -7.673 -1.250 1.00 13.35 C ATOM 2182 O LEU B 135 2.831 -8.712 -1.082 1.00 23.13 O ATOM 2183 CB LEU B 135 3.185 -5.445 -0.659 1.00 18.11 C ATOM 2184 CG LEU B 135 4.085 -4.261 -1.054 1.00 25.21 C ATOM 2185 CD1 LEU B 135 4.345 -3.326 0.142 1.00 21.23 C ATOM 2186 CD2 LEU B 135 5.421 -4.734 -1.671 1.00 19.12 C ATOM 2187 H LEU B 135 1.597 -4.751 -2.573 1.00 0.00 H ATOM 2188 N ARG B 136 0.897 -7.582 -0.960 1.00 24.04 N ATOM 2189 CA ARG B 136 0.151 -8.705 -0.431 1.00 25.56 C ATOM 2190 C ARG B 136 0.167 -9.900 -1.379 1.00 31.14 C ATOM 2191 O ARG B 136 0.460 -11.032 -0.972 1.00 27.44 O ATOM 2192 CB ARG B 136 -1.279 -8.253 -0.176 1.00 24.41 C ATOM 2193 CG ARG B 136 -2.088 -9.176 0.675 1.00 42.05 C ATOM 2194 CD ARG B 136 -3.266 -8.412 1.234 1.00 47.99 C ATOM 2195 NE ARG B 136 -4.273 -9.307 1.778 1.00 57.17 N ATOM 2196 CZ ARG B 136 -5.445 -8.894 2.244 1.00 57.37 C ATOM 2197 NH1 ARG B 136 -5.742 -7.598 2.223 1.00 55.12 N ATOM 2198 NH2 ARG B 136 -6.314 -9.774 2.726 1.00 51.60 N ATOM 2199 HE ARG B 136 -4.064 -10.326 1.804 1.00 0.00 H ATOM 2200 HH12 ARG B 136 -6.659 -7.269 2.587 1.00 0.00 H ATOM 2201 HH11 ARG B 136 -5.057 -6.914 1.843 1.00 0.00 H ATOM 2202 HH22 ARG B 136 -7.233 -9.451 3.091 1.00 0.00 H ATOM 2203 HH21 ARG B 136 -6.076 -10.786 2.738 1.00 0.00 H ATOM 2204 H ARG B 136 0.407 -6.678 -1.116 1.00 0.00 H ATOM 2205 N ARG B 137 -0.172 -9.648 -2.641 1.00 29.03 N ATOM 2206 CA ARG B 137 -0.128 -10.694 -3.642 1.00 28.23 C ATOM 2207 C ARG B 137 1.291 -11.225 -3.797 1.00 23.53 C ATOM 2208 O ARG B 137 1.479 -12.427 -3.990 1.00 24.58 O ATOM 2209 CB ARG B 137 -0.667 -10.199 -4.991 1.00 24.54 C ATOM 2210 CG ARG B 137 -2.118 -9.785 -4.961 1.00 26.03 C ATOM 2211 CD ARG B 137 -2.785 -10.026 -6.321 1.00 39.85 C ATOM 2212 NE ARG B 137 -1.874 -9.756 -7.435 1.00 31.11 N ATOM 2213 CZ ARG B 137 -1.509 -8.538 -7.808 1.00 27.93 C ATOM 2214 NH1 ARG B 137 -1.968 -7.477 -7.143 1.00 29.07 N ATOM 2215 NH2 ARG B 137 -0.667 -8.379 -8.824 1.00 31.94 N ATOM 2216 HE ARG B 137 -1.492 -10.566 -7.963 1.00 0.00 H ATOM 2217 HH12 ARG B 137 -1.684 -6.519 -7.432 1.00 0.00 H ATOM 2218 HH11 ARG B 137 -2.610 -7.607 -6.335 1.00 0.00 H ATOM 2219 HH22 ARG B 137 -0.380 -7.423 -9.117 1.00 0.00 H ATOM 2220 HH21 ARG B 137 -0.295 -9.210 -9.326 1.00 0.00 H ATOM 2221 H ARG B 137 -0.472 -8.690 -2.911 1.00 0.00 H ATOM 2222 N SER B 138 2.284 -10.341 -3.691 1.00 24.92 N ATOM 2223 CA SER B 138 3.687 -10.761 -3.765 1.00 28.60 C ATOM 2224 C SER B 138 4.000 -11.812 -2.721 1.00 26.39 C ATOM 2225 O SER B 138 4.629 -12.828 -3.018 1.00 26.68 O ATOM 2226 CB SER B 138 4.645 -9.591 -3.548 1.00 23.67 C ATOM 2227 OG SER B 138 4.754 -8.793 -4.704 1.00 35.61 O ATOM 2228 HG SER B 138 3.863 -8.430 -4.938 1.00 0.00 H ATOM 2229 H SER B 138 2.059 -9.335 -3.553 1.00 0.00 H ATOM 2230 N ILE B 139 3.575 -11.547 -1.492 1.00 33.75 N ATOM 2231 CA ILE B 139 3.840 -12.461 -0.388 1.00 31.81 C ATOM 2232 C ILE B 139 3.230 -13.826 -0.666 1.00 30.28 C ATOM 2233 O ILE B 139 3.884 -14.841 -0.475 1.00 32.31 O ATOM 2234 CB ILE B 139 3.311 -11.913 0.931 1.00 32.43 C ATOM 2235 CG1 ILE B 139 4.159 -10.721 1.349 1.00 21.11 C ATOM 2236 CG2 ILE B 139 3.339 -13.005 2.020 1.00 33.20 C ATOM 2237 CD1 ILE B 139 3.662 -10.021 2.614 1.00 24.59 C ATOM 2238 H ILE B 139 3.043 -10.671 -1.313 1.00 0.00 H ATOM 2239 N VAL B 140 1.988 -13.845 -1.142 1.00 22.70 N ATOM 2240 CA VAL B 140 1.356 -15.100 -1.530 1.00 26.67 C ATOM 2241 C VAL B 140 2.182 -15.843 -2.587 1.00 37.76 C ATOM 2242 O VAL B 140 2.389 -17.052 -2.486 1.00 40.87 O ATOM 2243 CB VAL B 140 -0.063 -14.885 -2.075 1.00 26.76 C ATOM 2244 CG1 VAL B 140 -0.617 -16.197 -2.611 1.00 28.79 C ATOM 2245 CG2 VAL B 140 -0.991 -14.294 -0.976 1.00 30.43 C ATOM 2246 H VAL B 140 1.461 -12.953 -1.239 1.00 0.00 H ATOM 2247 N ARG B 141 2.676 -15.115 -3.584 1.00 35.79 N ATOM 2248 CA ARG B 141 3.471 -15.737 -4.633 1.00 44.49 C ATOM 2249 C ARG B 141 4.772 -16.296 -4.044 1.00 40.90 C ATOM 2250 O ARG B 141 5.103 -17.455 -4.255 1.00 37.19 O ATOM 2251 CB ARG B 141 3.751 -14.746 -5.774 1.00 57.78 C ATOM 2252 CG ARG B 141 4.046 -15.406 -7.135 1.00 68.63 C ATOM 2253 CD ARG B 141 4.860 -14.496 -8.069 1.00 68.96 C ATOM 2254 NE ARG B 141 6.175 -14.196 -7.502 1.00 73.30 N ATOM 2255 CZ ARG B 141 7.250 -13.826 -8.198 1.00 68.52 C ATOM 2256 NH1 ARG B 141 7.198 -13.705 -9.525 1.00 65.05 N ATOM 2257 NH2 ARG B 141 8.389 -13.587 -7.556 1.00 60.11 N ATOM 2258 HE ARG B 141 6.280 -14.278 -6.471 1.00 0.00 H ATOM 2259 HH12 ARG B 141 8.045 -13.415 -10.054 1.00 0.00 H ATOM 2260 HH11 ARG B 141 6.310 -13.900 -10.031 1.00 0.00 H ATOM 2261 HH22 ARG B 141 9.235 -13.298 -8.088 1.00 0.00 H ATOM 2262 HH21 ARG B 141 8.434 -13.689 -6.522 1.00 0.00 H ATOM 2263 H ARG B 141 2.493 -14.092 -3.615 1.00 0.00 H ATOM 2264 N VAL B 142 5.479 -15.480 -3.271 1.00 44.36 N ATOM 2265 CA VAL B 142 6.806 -15.833 -2.757 1.00 46.71 C ATOM 2266 C VAL B 142 6.821 -16.992 -1.741 1.00 50.36 C ATOM 2267 O VAL B 142 7.837 -17.673 -1.565 1.00 42.97 O ATOM 2268 CB VAL B 142 7.527 -14.573 -2.234 1.00 49.45 C ATOM 2269 CG1 VAL B 142 8.837 -14.916 -1.529 1.00 53.86 C ATOM 2270 CG2 VAL B 142 7.794 -13.644 -3.406 1.00 53.86 C ATOM 2271 H VAL B 142 5.076 -14.555 -3.020 1.00 0.00 H ATOM 2272 N VAL B 143 5.690 -17.245 -1.099 1.00 61.89 N ATOM 2273 CA VAL B 143 5.582 -18.419 -0.244 1.00 74.63 C ATOM 2274 C VAL B 143 4.919 -19.525 -1.063 1.00 83.94 C ATOM 2275 O VAL B 143 3.897 -20.081 -0.659 1.00 89.36 O ATOM 2276 CB VAL B 143 4.798 -18.109 1.062 1.00 72.92 C ATOM 2277 CG1 VAL B 143 4.932 -19.251 2.082 1.00 75.93 C ATOM 2278 CG2 VAL B 143 5.304 -16.808 1.677 1.00 73.48 C ATOM 2279 H VAL B 143 4.878 -16.604 -1.206 1.00 0.00 H ATOM 2280 N ASN B 144 5.503 -19.840 -2.221 1.00 90.85 N ATOM 2281 CA ASN B 144 4.860 -20.787 -3.141 1.00 95.69 C ATOM 2282 C ASN B 144 5.581 -21.820 -4.063 1.00104.53 C ATOM 2283 O ASN B 144 5.033 -22.923 -4.138 1.00107.10 O ATOM 2284 CB ASN B 144 3.697 -20.121 -3.899 1.00 97.09 C ATOM 2285 CG ASN B 144 2.358 -20.318 -3.198 1.00 98.28 C ATOM 2286 OD1 ASN B 144 2.101 -21.369 -2.613 1.00100.29 O ATOM 2287 ND2 ASN B 144 1.505 -19.304 -3.248 1.00 97.58 N ATOM 2288 HD22 ASN B 144 1.762 -18.432 -3.754 1.00 0.00 H ATOM 2289 HD21 ASN B 144 0.579 -19.380 -2.781 1.00 0.00 H ATOM 2290 H ASN B 144 6.417 -19.413 -2.473 1.00 0.00 H ATOM 2291 N ASN B 145 6.714 -21.621 -4.775 1.00 96.51 N ATOM 2292 CA ASN B 145 7.840 -20.634 -4.800 1.00 91.48 C ATOM 2293 C ASN B 145 9.159 -21.231 -4.265 1.00 93.84 C ATOM 2294 O ASN B 145 9.166 -22.007 -3.310 1.00 90.39 O ATOM 2295 CB ASN B 145 7.575 -19.205 -4.291 1.00 89.03 C ATOM 2296 CG ASN B 145 8.570 -18.158 -4.871 1.00 59.58 C ATOM 2297 OD1 ASN B 145 8.318 -17.547 -5.922 1.00 57.12 O ATOM 2298 ND2 ASN B 145 9.683 -17.936 -4.166 1.00 50.03 N ATOM 2299 HD22 ASN B 145 9.859 -18.468 -3.290 1.00 0.00 H ATOM 2300 HD21 ASN B 145 10.374 -17.231 -4.493 1.00 0.00 H ATOM 2301 H ASN B 145 6.836 -22.353 -5.504 1.00 0.00 H ATOM 2302 N GLU B 146 10.251 -20.907 -4.955 1.00102.21 N ATOM 2303 CA GLU B 146 11.566 -21.485 -4.686 1.00104.15 C ATOM 2304 C GLU B 146 11.636 -22.947 -5.124 1.00108.70 C ATOM 2305 O GLU B 146 11.203 -23.839 -4.394 1.00103.26 O ATOM 2306 CB GLU B 146 11.923 -21.354 -3.207 1.00102.66 C ATOM 2307 CG GLU B 146 12.998 -20.317 -2.929 1.00101.79 C ATOM 2308 CD GLU B 146 14.355 -20.738 -3.451 1.00105.87 C ATOM 2309 OE1 GLU B 146 15.355 -20.554 -2.727 1.00107.02 O ATOM 2310 OE2 GLU B 146 14.420 -21.255 -4.584 1.00105.98 O ATOM 2311 H GLU B 146 10.164 -20.210 -5.722 1.00 0.00 H ATOM 2312 N GLN B 147 12.210 -23.190 -6.296 1.00121.34 N ATOM 2313 CA GLN B 147 12.346 -24.547 -6.817 1.00133.48 C ATOM 2314 C GLN B 147 13.530 -25.271 -6.184 1.00139.68 C ATOM 2315 O GLN B 147 14.285 -25.964 -6.868 1.00142.99 O ATOM 2316 CB GLN B 147 12.496 -24.528 -8.340 1.00137.68 C ATOM 2317 CG GLN B 147 12.020 -23.245 -8.997 1.00142.29 C ATOM 2318 CD GLN B 147 12.474 -22.010 -8.249 1.00146.27 C ATOM 2319 OE1 GLN B 147 13.572 -21.977 -7.696 1.00144.99 O ATOM 2320 NE2 GLN B 147 11.623 -20.991 -8.213 1.00149.36 N ATOM 2321 HE22 GLN B 147 10.705 -21.063 -8.695 1.00 0.00 H ATOM 2322 HE21 GLN B 147 11.875 -20.121 -7.702 1.00 0.00 H ATOM 2323 H GLN B 147 12.572 -22.393 -6.858 1.00 0.00 H TER 2324 GLN B 147 HETATM 2325 O HOH 1 -8.674 -9.332 16.681 1.00 40.52 O HETATM 2326 O HOH 2 -8.787 -8.616 3.168 1.00 35.27 O HETATM 2327 O HOH 3 18.968 -33.769 12.863 1.00 35.01 O HETATM 2328 O HOH 4 12.661 -1.090 -1.750 1.00 42.92 O HETATM 2329 O HOH 5 6.266 -4.842 27.056 1.00 19.14 O HETATM 2330 O HOH 6 -2.168 5.863 4.826 1.00 35.16 O HETATM 2331 O HOH 7 4.353 0.607 9.127 1.00 28.39 O HETATM 2332 O HOH 8 -5.083 -21.249 7.158 1.00 43.01 O HETATM 2333 O HOH 9 10.284 -11.579 27.228 1.00 30.33 O HETATM 2334 O HOH 10 12.077 -13.225 25.054 1.00 55.22 O HETATM 2335 O HOH 11 11.584 -28.804 17.915 1.00 40.86 O HETATM 2336 O HOH 12 -4.663 -18.601 6.026 1.00 28.35 O HETATM 2337 O HOH 13 4.929 2.317 11.111 1.00 23.68 O HETATM 2338 O HOH 14 7.733 -25.874 9.181 1.00 36.01 O HETATM 2339 O HOH 15 -9.512 -11.967 16.799 1.00 34.90 O HETATM 2340 O HOH 16 -8.737 -23.344 4.899 1.00 33.53 O HETATM 2341 O HOH 17 -3.504 -21.191 13.993 1.00 36.17 O HETATM 2342 O HOH 18 -8.076 3.857 16.202 1.00 45.08 O HETATM 2343 O HOH 19 -2.111 -21.749 0.936 1.00 40.76 O HETATM 2344 O HOH 20 11.993 -25.389 15.832 1.00 40.27 O HETATM 2345 O HOH 21 6.267 -23.865 20.895 1.00 35.35 O HETATM 2346 O HOH 22 -8.089 -18.677 12.029 1.00 42.79 O HETATM 2347 O HOH 23 -1.751 -16.114 34.344 1.00 49.98 O HETATM 2348 O HOH 24 -4.395 3.713 11.189 1.00 37.86 O HETATM 2349 O HOH 25 10.600 -14.108 13.736 1.00 42.84 O HETATM 2350 O HOH 26 -8.988 -14.236 11.573 1.00 35.98 O HETATM 2351 O HOH 27 15.439 -35.034 17.939 1.00 41.37 O HETATM 2352 O HOH 28 2.942 -28.255 16.653 1.00 32.35 O HETATM 2353 O HOH 29 -11.730 -11.693 10.904 1.00 48.03 O HETATM 2354 O HOH 30 -10.896 -3.606 17.613 1.00 53.93 O HETATM 2355 O HOH 31 15.236 -17.003 18.975 1.00 32.97 O HETATM 2356 O HOH 32 11.911 -8.691 21.837 1.00 38.55 O HETATM 2357 O HOH 33 -2.000 -20.601 9.022 1.00 25.88 O HETATM 2358 O HOH 34 -3.828 -25.394 16.271 1.00 37.66 O HETATM 2359 O HOH 35 -0.875 -13.853 30.637 1.00 36.61 O HETATM 2360 O HOH 36 -11.542 4.432 21.444 1.00 41.25 O HETATM 2361 O HOH 37 7.789 -9.057 29.123 1.00 28.94 O HETATM 2362 O HOH 38 -11.201 -3.285 13.562 1.00 38.89 O HETATM 2363 O HOH 39 -11.404 -6.842 16.584 1.00 46.87 O HETATM 2364 O HOH 40 -4.464 -19.172 15.367 1.00 39.62 O HETATM 2365 O HOH 41 5.064 -17.073 34.053 1.00 42.00 O HETATM 2366 O HOH 42 -6.247 -27.208 11.273 1.00 45.59 O HETATM 2367 O HOH 43 -7.822 -19.017 4.789 1.00 44.24 O HETATM 2368 O HOH 44 3.560 4.503 8.158 1.00 46.51 O HETATM 2369 O HOH 45 -4.547 -19.075 17.691 1.00 37.24 O HETATM 2370 O HOH 46 3.398 -26.642 7.773 1.00 40.53 O HETATM 2371 O HOH 47 -7.569 -21.011 5.835 1.00 60.95 O HETATM 2372 O HOH 48 0.428 -10.677 32.154 1.00 57.36 O HETATM 2373 O HOH 49 -15.921 -2.928 9.097 1.00 45.31 O HETATM 2374 O HOH 50 1.254 -23.532 3.300 1.00 45.19 O HETATM 2375 O HOH 51 10.671 -0.316 18.272 1.00 51.38 O HETATM 2376 O HOH 52 4.168 -25.596 19.811 1.00 40.93 O HETATM 2377 O HOH 53 -4.954 -21.517 26.969 1.00 45.21 O HETATM 2378 O HOH 54 7.303 4.737 7.654 1.00 46.90 O HETATM 2379 O HOH 55 -14.387 -4.589 15.193 1.00 52.87 O HETATM 2380 O HOH 56 -2.215 -15.737 31.817 1.00 34.65 O HETATM 2381 O HOH 57 5.654 -12.139 4.812 1.00 42.46 O HETATM 2382 O HOH 58 6.293 2.844 3.505 1.00 58.62 O HETATM 2383 O HOH 59 11.611 -2.318 4.670 1.00 42.11 O HETATM 2384 O HOH 60 1.184 9.344 4.776 1.00 42.44 O HETATM 2385 O HOH 61 -11.196 -0.671 14.639 1.00 41.58 O HETATM 2386 O HOH 62 9.051 -2.773 21.104 1.00 38.51 O HETATM 2387 O HOH 63 11.851 -0.927 14.478 1.00 48.46 O HETATM 2388 O HOH 64 16.869 -15.556 20.551 1.00 39.87 O HETATM 2389 O HOH 65 -12.644 0.594 18.661 1.00 60.85 O HETATM 2390 O HOH 66 12.326 3.005 -13.834 1.00 31.46 O HETATM 2391 O HOH 67 20.085 -2.553 -9.926 1.00 48.28 O HETATM 2392 O HOH 68 11.852 3.219 -0.494 1.00 35.65 O HETATM 2393 O HOH 69 19.608 -21.680 -18.766 1.00 37.24 O HETATM 2394 O HOH 70 -5.336 -11.316 4.253 1.00 46.89 O HETATM 2395 O HOH 71 16.213 -10.600 -31.898 1.00 51.22 O HETATM 2396 O HOH 72 21.233 -12.523 -28.275 1.00 38.37 O HETATM 2397 O HOH 73 4.828 -14.641 -24.470 1.00 22.61 O HETATM 2398 O HOH 74 -2.616 -3.369 -6.447 1.00 36.34 O HETATM 2399 O HOH 75 17.358 -11.932 -0.043 1.00 45.68 O HETATM 2400 O HOH 76 18.692 -28.727 -8.935 1.00 38.62 O HETATM 2401 O HOH 77 20.729 -6.225 -4.405 1.00 37.36 O HETATM 2402 O HOH 78 0.961 8.944 -13.552 1.00 47.87 O HETATM 2403 O HOH 79 4.688 -15.505 -12.420 1.00 36.93 O HETATM 2404 O HOH 80 16.196 -22.957 -13.139 1.00 36.08 O HETATM 2405 O HOH 81 -3.876 4.788 -2.085 1.00 31.60 O HETATM 2406 O HOH 82 11.798 1.695 -2.949 1.00 33.89 O HETATM 2407 O HOH 83 14.878 2.445 -14.308 1.00 36.22 O HETATM 2408 O HOH 84 23.762 -32.472 -11.795 1.00 54.60 O HETATM 2409 O HOH 85 -4.530 -3.183 -8.474 1.00 27.26 O HETATM 2410 O HOH 86 17.692 -17.236 -18.151 1.00 30.27 O HETATM 2411 O HOH 87 18.582 -5.212 -3.480 1.00 31.23 O HETATM 2412 O HOH 88 0.933 -7.909 -24.475 1.00 22.59 O HETATM 2413 O HOH 89 23.691 -9.458 -13.653 1.00 37.94 O HETATM 2414 O HOH 90 -5.670 3.190 -5.156 1.00 41.77 O HETATM 2415 O HOH 91 8.470 -11.204 -29.533 1.00 39.67 O HETATM 2416 O HOH 92 20.275 -7.402 -11.211 1.00 30.35 O HETATM 2417 O HOH 93 18.777 -8.500 -6.275 1.00 27.58 O HETATM 2418 O HOH 94 20.607 -2.887 -2.059 1.00 41.48 O HETATM 2419 O HOH 95 23.042 -16.565 -14.053 1.00 28.67 O HETATM 2420 O HOH 96 22.903 -30.822 -15.249 1.00 39.02 O HETATM 2421 O HOH 97 16.421 -17.348 -22.756 1.00 50.12 O HETATM 2422 O HOH 98 13.087 -26.444 -17.673 1.00 34.49 O HETATM 2423 O HOH 99 4.100 -11.090 -26.585 1.00 29.01 O HETATM 2424 O HOH 100 18.903 -5.921 -12.517 1.00 43.36 O HETATM 2425 O HOH 101 12.496 -12.563 -31.330 1.00 43.12 O HETATM 2426 O HOH 102 8.588 7.705 -10.862 1.00 32.90 O HETATM 2427 O HOH 103 7.101 -21.625 -16.111 1.00 35.72 O HETATM 2428 O HOH 104 26.087 -13.896 -4.805 1.00 40.91 O HETATM 2429 O HOH 105 15.852 4.302 -8.466 1.00 49.89 O HETATM 2430 O HOH 106 10.862 -7.395 -32.326 1.00 41.43 O HETATM 2431 O HOH 107 18.867 -5.522 -15.174 1.00 44.69 O HETATM 2432 O HOH 108 4.961 -16.933 -22.551 1.00 50.86 O HETATM 2433 O HOH 109 1.200 -14.550 -19.589 1.00 38.89 O HETATM 2434 O HOH 110 21.962 -5.975 -18.233 1.00 50.42 O HETATM 2435 O HOH 111 7.004 -16.336 -11.161 1.00 33.94 O HETATM 2436 O HOH 112 -5.391 -4.523 -0.704 1.00 48.28 O HETATM 2437 O HOH 113 18.429 4.467 -17.724 1.00 49.30 O HETATM 2438 O HOH 114 2.025 12.291 -19.022 1.00 40.64 O HETATM 2439 O HOH 115 19.733 -12.953 -0.676 1.00 42.54 O HETATM 2440 O HOH 116 7.577 -11.010 -2.133 1.00 40.97 O HETATM 2441 O HOH 117 14.733 -6.086 -28.806 1.00 32.49 O HETATM 2442 O HOH 118 15.962 4.619 -16.227 1.00 56.06 O HETATM 2443 O HOH 119 20.040 -16.425 -17.120 1.00 32.13 O HETATM 2444 O HOH 120 -3.868 -7.382 -17.034 1.00 35.68 O HETATM 2445 O HOH 121 -5.969 -0.778 -4.889 1.00 48.29 O HETATM 2446 O HOH 122 22.127 -3.267 -3.610 1.00 40.85 O HETATM 2447 O HOH 123 -2.191 -10.721 -20.291 1.00 47.63 O HETATM 2448 O HOH 124 4.918 -22.238 -17.816 1.00 45.60 O HETATM 2449 O HOH 125 18.791 2.787 -14.889 1.00 36.63 O HETATM 2450 O HOH 126 3.959 9.705 -13.339 1.00 41.45 O HETATM 2451 O HOH 127 11.555 10.130 -12.583 1.00 50.89 O HETATM 2452 O HOH 128 9.578 -6.689 -29.422 1.00 46.93 O HETATM 2453 O HOH 129 -3.835 -11.290 -1.834 1.00 45.49 O HETATM 2454 O HOH 130 -1.894 -9.294 -18.152 1.00 34.83 O HETATM 2455 O HOH 131 -5.576 -9.746 -15.998 1.00 41.06 O HETATM 2456 O HOH 132 6.021 9.482 -11.992 1.00 51.00 O HETATM 2457 O HOH 133 -5.148 -11.144 -11.635 1.00 41.95 O HETATM 2458 O HOH 134 -8.815 -5.901 -12.457 1.00 44.30 O HETATM 2459 O HOH 135 9.163 9.990 -16.862 1.00 50.91 O HETATM 2460 PA PCG A 136 2.715 -18.785 10.443 1.00 0.26 P HETATM 2461 O1A PCG A 136 1.364 -18.182 10.631 1.00 -0.62 O HETATM 2462 O2A PCG A 136 3.244 -19.735 9.415 1.00 -0.62 O HETATM 2463 O5' PCG A 136 2.842 -19.213 11.671 1.00 -0.25 O HETATM 2464 C5' PCG A 136 4.154 -19.641 12.047 1.00 0.11 C HETATM 2465 C4' PCG A 136 4.975 -18.385 11.928 1.00 0.12 C HETATM 2466 O4' PCG A 136 6.357 -18.384 12.180 1.00 -0.33 O HETATM 2467 C1' PCG A 136 6.769 -17.079 11.791 1.00 0.22 C HETATM 2468 C2' PCG A 136 5.765 -16.588 10.736 1.00 0.15 C HETATM 2469 C3' PCG A 136 4.842 -17.764 10.572 1.00 0.15 C HETATM 2470 O3' PCG A 136 3.436 -17.532 10.290 1.00 -0.25 O HETATM 2471 H4 PCG A 136 5.233 -18.426 9.786 1.00 0.07 H HETATM 2472 O2' PCG A 136 5.174 -15.371 11.198 1.00 -0.38 O HETATM 2473 H6 PCG A 136 4.505 -15.092 10.584 1.00 0.21 H HETATM 2474 H5 PCG A 136 6.268 -16.385 9.779 1.00 0.07 H HETATM 2475 N9 PCG A 136 8.206 -17.426 11.529 1.00 -0.10 N HETATM 2476 C8 PCG A 136 9.235 -17.020 12.282 1.00 0.19 C HETATM 2477 N7 PCG A 136 10.407 -17.477 11.808 1.00 -0.19 N HETATM 2478 C5 PCG A 136 10.154 -18.195 10.729 1.00 0.26 C HETATM 2479 C6 PCG A 136 10.956 -18.961 9.739 1.00 0.26 C HETATM 2480 O6 PCG A 136 12.185 -19.008 9.860 1.00 -0.36 O HETATM 2481 N1 PCG A 136 10.314 -19.592 8.717 1.00 -0.25 N HETATM 2482 C2 PCG A 136 8.968 -19.547 8.575 1.00 0.20 C HETATM 2483 N2 PCG A 136 8.391 -20.194 7.541 1.00 -0.33 N HETATM 2484 H10 PCG A 136 7.368 -20.167 7.423 1.00 0.18 H HETATM 2485 H11 PCG A 136 8.973 -20.715 6.870 1.00 0.18 H HETATM 2486 N3 PCG A 136 8.157 -18.854 9.459 1.00 -0.19 N HETATM 2487 C4 PCG A 136 8.694 -18.176 10.526 1.00 0.33 C HETATM 2488 H12 PCG A 136 7.137 -18.847 9.314 1.00 0.25 H HETATM 2489 H9 PCG A 136 10.854 -20.105 8.050 1.00 0.18 H HETATM 2490 H8 PCG A 136 9.135 -16.396 13.169 1.00 0.18 H HETATM 2491 H7 PCG A 136 6.730 -16.359 12.622 1.00 0.10 H HETATM 2492 H3 PCG A 136 4.534 -17.695 12.662 1.00 0.07 H HETATM 2493 H1 PCG A 136 4.525 -20.420 11.365 1.00 0.06 H HETATM 2494 H2 PCG A 136 4.164 -20.022 13.079 1.00 0.06 H CONECT 1 2 5 6 7 CONECT 5 1 CONECT 6 1 CONECT 7 1 CONECT 43 36 44 51 CONECT 44 43 45 47 CONECT 45 44 46 52 CONECT 46 45 CONECT 47 44 48 CONECT 48 47 49 CONECT 49 48 50 CONECT 50 49 CONECT 51 43 CONECT 183 168 184 191 CONECT 184 183 185 187 CONECT 185 184 186 192 CONECT 186 185 CONECT 187 184 188 CONECT 188 187 189 CONECT 189 188 190 CONECT 190 189 CONECT 191 183 CONECT 356 346 357 364 CONECT 357 356 358 360 CONECT 358 357 359 365 CONECT 359 358 CONECT 360 357 361 CONECT 361 360 362 CONECT 362 361 363 CONECT 363 362 CONECT 364 356 CONECT 509 502 510 517 CONECT 510 509 511 513 CONECT 511 510 512 518 CONECT 512 511 CONECT 513 510 514 CONECT 514 513 515 CONECT 515 514 516 CONECT 516 515 CONECT 517 509 CONECT 978 972 979 986 CONECT 979 978 980 982 CONECT 980 979 981 987 CONECT 981 980 CONECT 982 979 983 CONECT 983 982 984 CONECT 984 983 985 CONECT 985 984 CONECT 986 978 CONECT 1170 1171 1180 1181 1182 CONECT 1180 1170 CONECT 1181 1170 CONECT 1182 1170 CONECT 1198 1191 1199 1206 CONECT 1199 1198 1200 1202 CONECT 1200 1199 1201 1207 CONECT 1201 1200 CONECT 1202 1199 1203 CONECT 1203 1202 1204 CONECT 1204 1203 1205 CONECT 1205 1204 CONECT 1206 1198 CONECT 1338 1323 1339 1346 CONECT 1339 1338 1340 1342 CONECT 1340 1339 1341 1347 CONECT 1341 1340 CONECT 1342 1339 1343 CONECT 1343 1342 1344 CONECT 1344 1343 1345 CONECT 1345 1344 CONECT 1346 1338 CONECT 1511 1501 1512 1519 CONECT 1512 1511 1513 1515 CONECT 1513 1512 1514 1520 CONECT 1514 1513 CONECT 1515 1512 1516 CONECT 1516 1515 1517 CONECT 1517 1516 1518 CONECT 1518 1517 CONECT 1519 1511 CONECT 1664 1657 1665 1672 CONECT 1665 1664 1666 1668 CONECT 1666 1665 1667 1673 CONECT 1667 1666 CONECT 1668 1665 1669 CONECT 1669 1668 1670 CONECT 1670 1669 1671 CONECT 1671 1670 CONECT 1672 1664 CONECT 2133 2127 2134 2141 CONECT 2134 2133 2135 2137 CONECT 2135 2134 2136 2142 CONECT 2136 2135 CONECT 2137 2134 2138 CONECT 2138 2137 2139 CONECT 2139 2138 2140 CONECT 2140 2139 CONECT 2141 2133 CONECT 2460 2461 2462 2463 2470 CONECT 2461 2460 CONECT 2462 2460 CONECT 2463 2460 2464 CONECT 2464 2463 2465 2493 2494 CONECT 2465 2464 2466 2469 2492 CONECT 2466 2465 2467 CONECT 2467 2466 2468 2475 2491 CONECT 2468 2467 2469 2472 2474 CONECT 2469 2465 2468 2470 2471 CONECT 2470 2460 2469 CONECT 2471 2469 CONECT 2472 2468 2473 CONECT 2473 2472 CONECT 2474 2468 CONECT 2475 2467 2476 2487 CONECT 2476 2475 2477 2490 CONECT 2477 2476 2478 CONECT 2478 2477 2479 2487 CONECT 2479 2478 2480 2481 CONECT 2480 2479 CONECT 2481 2479 2482 2489 CONECT 2482 2481 2483 2486 CONECT 2483 2482 2484 2485 CONECT 2484 2483 CONECT 2485 2483 CONECT 2486 2482 2487 2488 CONECT 2487 2475 2478 2486 CONECT 2488 2486 CONECT 2489 2481 CONECT 2490 2476 CONECT 2491 2467 CONECT 2492 2465 CONECT 2493 2464 CONECT 2494 2464 MASTER 0 0 0 0 0 0 0 0 2492 2 133 20 END
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Structure:
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Related entries of code: 5h5o
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
No similar entries are found!
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
3od0
RCSB PDB
PDBbind
PCG
4muv
RCSB PDB
PDBbind
PCG
4z07
RCSB PDB
PDBbind
PCG
6hq7
RCSB PDB
PDBbind
PCG
Entry Information
PDB ID
5h5o
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Diguanylate cyclase
Ligand Name
PCG
EC.Number
E.C.-.-.-.-
Resolution
2.42(Å)
Affinity (Kd/Ki/IC50)
Kd=274nM
Release Year
2013
Protein/NA Sequence
Check fasta file
Primary Reference
(2013) Embo J. Vol. 32: pp. 2430-2438
Ligand Properties
Formula
C
1
0
H
1
4
N
5
O
7
P
Molecular Weight
347.221
Exact Mass
347.063
No. of atoms
37
No. of bonds
40
Polar Surface Area
192.81
LOGP Value
-2.18 (
Computed with XLOGP3
)
-1.96 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 5
No. of Rotatable Bonds: 2
No. of Nitrogen and Oxygen Atoms: 12
No. of Rings: 4
Canonical SMILES
O[C@@H]1[C@@H]2OP(O)(O)OC[C@H]2O[C@H]1n1cnc2c1[nH]c(N)[nH+]c2=O
InChI String
InChI=1S/C10H14N5O7P/c11-10-13-7-4(8(17)14-10)12-2-15(7)9-5(16)6-3(21-9)1-20-23(18,19)22-6/h2-3,5-6,9,16,18-19,23H,1H2,(H3,11,13,14,17)/p+1/t3-,5-,6-,9-/m1/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
B0RM05
Entrez Gene ID
No matched NCBI Entrez Gene ID found!
ASD
Information of known allosteric effects of PDB entries
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times since Nov 2007.
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