Browse entries in the PDBbind-CN Database
HEADER 4MZL_COMPLEX COMPND 4MZL_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 138 GLN LEU GLU GLU LYS VAL ASP GLU SER ASP VAL ARG ILE SEQRES 2 A 138 TYR PHE ASN GLU LYS SER SER GLY GLY LYS ILE SER ILE SEQRES 3 A 138 ASP ASN ALA SER TYR ASN ALA ARG LYS LEU GLY LEU ALA SEQRES 4 A 138 PRO SER SER ILE ASP GLU LYS LYS ILE LYS GLU LEU TYR SEQRES 5 A 138 GLY ASP ASN LEU THR TYR GLU GLN TYR LEU GLU TYR LEU SEQRES 6 A 138 SER ILE CYS VAL HIS ASP LYS ASP ASN VAL GLU GLU LEU SEQRES 7 A 138 ILE LYS MET PHE ALA HIS PHE ASP ASN ASN CYS THR GLY SEQRES 8 A 138 TYR LEU THR LYS SER GLN MET LYS ASN ILE LEU THR THR SEQRES 9 A 138 TRP GLY ASP ALA LEU THR ASP GLN GLU ALA ILE ASP ALA SEQRES 10 A 138 LEU ASN ALA PHE SER SER GLU ASP ASN ILE ASP TYR LYS SEQRES 11 A 138 LEU PHE CYS GLU ASP ILE LEU GLN HET BUA A 245 302 ATOM 1 N GLN A 67 10.971 -14.471 -0.082 1.00 45.15 N ATOM 2 CA GLN A 67 12.216 -14.495 0.658 1.00 55.43 C ATOM 3 C GLN A 67 12.515 -13.074 1.207 1.00 61.88 C ATOM 4 O GLN A 67 12.885 -12.906 2.341 1.00 65.49 O ATOM 5 CB GLN A 67 13.315 -15.027 -0.246 1.00 50.93 C ATOM 6 HN3 GLN A 67 11.053 -13.802 -0.874 1.00 0.00 H ATOM 7 HN2 GLN A 67 10.200 -14.172 0.549 1.00 0.00 H ATOM 8 HN1 GLN A 67 10.770 -15.423 -0.450 1.00 0.00 H ATOM 9 N LEU A 68 12.296 -12.085 0.347 1.00 59.16 N ATOM 10 CA LEU A 68 12.433 -10.675 0.587 1.00 47.27 C ATOM 11 C LEU A 68 11.049 -10.137 0.355 1.00 40.93 C ATOM 12 O LEU A 68 10.652 -9.156 0.881 1.00 39.04 O ATOM 13 CB LEU A 68 13.386 -10.085 -0.451 1.00 41.03 C ATOM 14 CG LEU A 68 13.566 -8.586 -0.607 1.00 38.34 C ATOM 15 CD1 LEU A 68 14.082 -7.900 0.636 1.00 29.48 C ATOM 16 CD2 LEU A 68 14.379 -8.201 -1.819 1.00 32.63 C ATOM 17 H LEU A 68 11.991 -12.363 -0.608 1.00 0.00 H ATOM 18 N GLU A 69 10.288 -10.834 -0.444 1.00 50.21 N ATOM 19 CA GLU A 69 8.943 -10.412 -0.737 1.00 50.74 C ATOM 20 C GLU A 69 7.997 -10.765 0.386 1.00 44.16 C ATOM 21 O GLU A 69 6.950 -10.193 0.503 1.00 41.92 O ATOM 22 CB GLU A 69 8.483 -11.011 -2.036 1.00 55.99 C ATOM 23 H GLU A 69 10.658 -11.705 -0.875 1.00 0.00 H ATOM 24 N GLU A 70 8.432 -11.673 1.233 1.00 35.76 N ATOM 25 CA GLU A 70 7.690 -12.049 2.395 1.00 41.38 C ATOM 26 C GLU A 70 7.699 -10.852 3.247 1.00 45.10 C ATOM 27 O GLU A 70 6.739 -10.558 3.880 1.00 47.93 O ATOM 28 CB GLU A 70 8.353 -13.200 3.133 1.00 41.20 C ATOM 29 H GLU A 70 9.347 -12.133 1.051 1.00 0.00 H ATOM 30 N LYS A 71 8.828 -10.147 3.226 1.00 40.13 N ATOM 31 CA LYS A 71 9.078 -9.060 4.145 1.00 38.91 C ATOM 32 C LYS A 71 8.549 -7.711 3.679 1.00 40.79 C ATOM 33 O LYS A 71 7.979 -7.002 4.461 1.00 40.88 O ATOM 34 CB LYS A 71 10.570 -8.983 4.478 1.00 33.69 C ATOM 35 H LYS A 71 9.556 -10.387 2.523 1.00 0.00 H ATOM 36 N VAL A 72 8.713 -7.396 2.396 1.00 33.90 N ATOM 37 CA VAL A 72 8.418 -6.069 1.866 1.00 30.94 C ATOM 38 C VAL A 72 7.433 -6.063 0.656 1.00 42.94 C ATOM 39 O VAL A 72 7.268 -7.059 0.026 1.00 41.29 O ATOM 40 CB VAL A 72 9.732 -5.398 1.427 1.00 28.93 C ATOM 41 CG1 VAL A 72 10.755 -5.363 2.568 1.00 29.17 C ATOM 42 CG2 VAL A 72 10.305 -6.070 0.190 1.00 20.78 C ATOM 43 H VAL A 72 9.066 -8.126 1.745 1.00 0.00 H ATOM 44 N ASP A 73 6.860 -4.916 0.300 1.00 44.28 N ATOM 45 CA ASP A 73 5.936 -4.820 -0.826 1.00 38.40 C ATOM 46 C ASP A 73 6.681 -4.767 -2.161 1.00 33.83 C ATOM 47 O ASP A 73 7.470 -3.851 -2.402 1.00 32.55 O ATOM 48 CB ASP A 73 5.032 -3.592 -0.682 1.00 37.87 C ATOM 49 CG ASP A 73 3.986 -3.516 -1.776 1.00 45.73 C ATOM 50 OD1 ASP A 73 2.851 -4.003 -1.562 1.00 57.52 O ATOM 51 OD2 ASP A 73 4.300 -2.980 -2.863 1.00 39.18 O ATOM 52 H ASP A 73 7.078 -4.057 0.844 1.00 0.00 H ATOM 53 N GLU A 74 6.393 -5.730 -3.035 1.00 26.46 N ATOM 54 CA GLU A 74 7.077 -5.865 -4.321 1.00 28.58 C ATOM 55 C GLU A 74 6.957 -4.639 -5.226 1.00 26.27 C ATOM 56 O GLU A 74 7.908 -4.271 -5.906 1.00 23.51 O ATOM 57 CB GLU A 74 6.555 -7.107 -5.058 1.00 34.90 C ATOM 58 H GLU A 74 5.650 -6.416 -2.793 1.00 0.00 H ATOM 59 N SER A 75 5.791 -4.008 -5.266 1.00 23.77 N ATOM 60 CA SER A 75 5.629 -2.872 -6.162 1.00 20.59 C ATOM 61 C SER A 75 6.314 -1.634 -5.598 1.00 16.78 C ATOM 62 O SER A 75 6.816 -0.812 -6.357 1.00 17.67 O ATOM 63 CB SER A 75 4.157 -2.598 -6.504 1.00 26.25 C ATOM 64 OG SER A 75 3.506 -1.917 -5.461 1.00 39.32 O ATOM 65 HG SER A 75 3.541 -2.466 -4.638 1.00 0.00 H ATOM 66 H SER A 75 5.002 -4.321 -4.665 1.00 0.00 H ATOM 67 N ASP A 76 6.367 -1.499 -4.273 1.00 17.58 N ATOM 68 CA ASP A 76 7.092 -0.375 -3.664 1.00 18.26 C ATOM 69 C ASP A 76 8.588 -0.450 -3.928 1.00 14.98 C ATOM 70 O ASP A 76 9.269 0.567 -4.036 1.00 14.17 O ATOM 71 CB ASP A 76 6.858 -0.323 -2.146 1.00 16.71 C ATOM 72 CG ASP A 76 5.442 0.086 -1.773 1.00 32.69 C ATOM 73 OD1 ASP A 76 4.775 0.756 -2.581 1.00 22.14 O ATOM 74 OD2 ASP A 76 4.999 -0.275 -0.660 1.00 36.31 O ATOM 75 H ASP A 76 5.891 -2.195 -3.665 1.00 0.00 H ATOM 76 N VAL A 77 9.108 -1.668 -3.986 1.00 18.48 N ATOM 77 CA VAL A 77 10.514 -1.852 -4.311 1.00 14.57 C ATOM 78 C VAL A 77 10.817 -1.160 -5.647 1.00 14.93 C ATOM 79 O VAL A 77 11.805 -0.433 -5.776 1.00 20.36 O ATOM 80 CB VAL A 77 10.859 -3.332 -4.388 1.00 18.10 C ATOM 81 CG1 VAL A 77 12.244 -3.530 -5.014 1.00 14.88 C ATOM 82 CG2 VAL A 77 10.813 -3.980 -2.996 1.00 17.74 C ATOM 83 H VAL A 77 8.508 -2.496 -3.798 1.00 0.00 H ATOM 84 N ARG A 78 9.951 -1.373 -6.629 1.00 14.17 N ATOM 85 CA ARG A 78 10.126 -0.790 -7.972 1.00 13.78 C ATOM 86 C ARG A 78 9.820 0.714 -7.991 1.00 13.36 C ATOM 87 O ARG A 78 10.534 1.495 -8.601 1.00 16.26 O ATOM 88 CB ARG A 78 9.229 -1.531 -8.985 1.00 14.77 C ATOM 89 CG ARG A 78 9.322 -1.018 -10.452 1.00 20.91 C ATOM 90 CD ARG A 78 10.686 -1.258 -11.072 1.00 24.40 C ATOM 91 NE ARG A 78 10.821 -0.665 -12.414 1.00 23.82 N ATOM 92 CZ ARG A 78 11.929 -0.733 -13.148 1.00 28.02 C ATOM 93 NH1 ARG A 78 12.995 -1.364 -12.680 1.00 26.22 N ATOM 94 NH2 ARG A 78 11.974 -0.174 -14.350 1.00 28.85 N ATOM 95 HE ARG A 78 10.001 -0.163 -12.811 1.00 0.00 H ATOM 96 HH12 ARG A 78 13.861 -1.417 -13.253 1.00 0.00 H ATOM 97 HH11 ARG A 78 12.966 -1.806 -11.739 1.00 0.00 H ATOM 98 HH22 ARG A 78 12.843 -0.231 -14.918 1.00 0.00 H ATOM 99 HH21 ARG A 78 11.140 0.322 -14.725 1.00 0.00 H ATOM 100 H ARG A 78 9.120 -1.971 -6.445 1.00 0.00 H ATOM 101 N ILE A 79 8.760 1.124 -7.306 1.00 16.80 N ATOM 102 CA ILE A 79 8.387 2.541 -7.243 1.00 13.86 C ATOM 103 C ILE A 79 9.498 3.378 -6.618 1.00 14.03 C ATOM 104 O ILE A 79 9.897 4.418 -7.155 1.00 14.90 O ATOM 105 CB ILE A 79 7.096 2.739 -6.432 1.00 14.80 C ATOM 106 CG1 ILE A 79 5.931 2.013 -7.104 1.00 16.21 C ATOM 107 CG2 ILE A 79 6.778 4.229 -6.252 1.00 20.54 C ATOM 108 CD1 ILE A 79 4.676 1.937 -6.217 1.00 23.27 C ATOM 109 H ILE A 79 8.180 0.424 -6.802 1.00 0.00 H ATOM 110 N TYR A 80 10.009 2.933 -5.477 1.00 14.06 N ATOM 111 CA TYR A 80 11.078 3.691 -4.819 1.00 17.96 C ATOM 112 C TYR A 80 12.327 3.717 -5.692 1.00 15.09 C ATOM 113 O TYR A 80 13.009 4.740 -5.783 1.00 13.09 O ATOM 114 CB TYR A 80 11.412 3.131 -3.425 1.00 14.29 C ATOM 115 CG TYR A 80 10.236 3.111 -2.454 1.00 19.70 C ATOM 116 CD1 TYR A 80 9.059 3.827 -2.714 1.00 22.60 C ATOM 117 CD2 TYR A 80 10.298 2.373 -1.280 1.00 16.81 C ATOM 118 CE1 TYR A 80 7.981 3.793 -1.815 1.00 19.42 C ATOM 119 CE2 TYR A 80 9.228 2.354 -0.368 1.00 17.88 C ATOM 120 CZ TYR A 80 8.081 3.062 -0.647 1.00 22.43 C ATOM 121 OH TYR A 80 7.035 3.022 0.251 1.00 28.12 O ATOM 122 HH TYR A 80 6.289 3.577 -0.089 1.00 0.00 H ATOM 123 H TYR A 80 9.654 2.053 -5.052 1.00 0.00 H ATOM 124 N PHE A 81 12.644 2.594 -6.326 1.00 13.13 N ATOM 125 CA PHE A 81 13.741 2.598 -7.297 1.00 13.29 C ATOM 126 C PHE A 81 13.573 3.683 -8.366 1.00 18.69 C ATOM 127 O PHE A 81 14.507 4.438 -8.633 1.00 19.94 O ATOM 128 CB PHE A 81 13.893 1.245 -7.984 1.00 15.94 C ATOM 129 CG PHE A 81 15.054 1.194 -8.937 1.00 12.99 C ATOM 130 CD1 PHE A 81 16.328 0.947 -8.475 1.00 11.60 C ATOM 131 CD2 PHE A 81 14.862 1.374 -10.300 1.00 16.15 C ATOM 132 CE1 PHE A 81 17.407 0.900 -9.345 1.00 15.77 C ATOM 133 CE2 PHE A 81 15.939 1.332 -11.187 1.00 13.76 C ATOM 134 CZ PHE A 81 17.214 1.089 -10.710 1.00 16.58 C ATOM 135 H PHE A 81 12.117 1.718 -6.135 1.00 0.00 H ATOM 136 N ASN A 82 12.404 3.731 -9.009 1.00 16.83 N ATOM 137 CA ASN A 82 12.146 4.710 -10.051 1.00 15.33 C ATOM 138 C ASN A 82 12.189 6.139 -9.515 1.00 20.62 C ATOM 139 O ASN A 82 12.523 7.063 -10.250 1.00 19.65 O ATOM 140 CB ASN A 82 10.779 4.466 -10.714 1.00 24.51 C ATOM 141 CG ASN A 82 10.746 3.220 -11.571 1.00 18.64 C ATOM 142 OD1 ASN A 82 11.777 2.771 -12.097 1.00 18.45 O ATOM 143 ND2 ASN A 82 9.547 2.640 -11.709 1.00 22.70 N ATOM 144 HD22 ASN A 82 8.712 3.055 -11.248 1.00 0.00 H ATOM 145 HD21 ASN A 82 9.450 1.774 -12.277 1.00 0.00 H ATOM 146 H ASN A 82 11.659 3.050 -8.758 1.00 0.00 H ATOM 147 N GLU A 83 11.824 6.319 -8.247 1.00 17.19 N ATOM 148 CA GLU A 83 11.836 7.642 -7.633 1.00 25.56 C ATOM 149 C GLU A 83 13.252 8.194 -7.519 1.00 22.16 C ATOM 150 O GLU A 83 13.457 9.405 -7.549 1.00 25.46 O ATOM 151 CB GLU A 83 11.184 7.620 -6.239 1.00 28.22 C ATOM 152 CG GLU A 83 9.652 7.680 -6.245 1.00 38.88 C ATOM 153 CD GLU A 83 9.021 7.306 -4.898 1.00 42.24 C ATOM 154 OE1 GLU A 83 9.753 7.160 -3.894 1.00 40.17 O ATOM 155 OE2 GLU A 83 7.782 7.149 -4.840 1.00 48.02 O ATOM 156 H GLU A 83 11.524 5.499 -7.682 1.00 0.00 H ATOM 157 N LYS A 84 14.228 7.302 -7.385 1.00 14.74 N ATOM 158 CA LYS A 84 15.598 7.721 -7.079 1.00 16.21 C ATOM 159 C LYS A 84 16.633 7.366 -8.144 1.00 25.36 C ATOM 160 O LYS A 84 17.797 7.761 -8.031 1.00 21.64 O ATOM 161 CB LYS A 84 16.052 7.108 -5.740 1.00 16.15 C ATOM 162 CG LYS A 84 15.357 7.673 -4.517 1.00 14.88 C ATOM 163 CD LYS A 84 15.647 9.172 -4.350 1.00 24.61 C ATOM 164 CE LYS A 84 15.275 9.669 -2.939 1.00 26.78 C ATOM 165 NZ LYS A 84 13.814 9.563 -2.663 1.00 31.71 N ATOM 166 HZ1 LYS A 84 13.289 10.137 -3.354 1.00 0.00 H ATOM 167 HZ2 LYS A 84 13.519 8.569 -2.741 1.00 0.00 H ATOM 168 HZ3 LYS A 84 13.618 9.910 -1.702 1.00 0.00 H ATOM 169 H LYS A 84 14.016 6.290 -7.499 1.00 0.00 H ATOM 170 N SER A 85 16.239 6.615 -9.171 1.00 14.13 N ATOM 171 CA SER A 85 17.247 6.083 -10.096 1.00 15.55 C ATOM 172 C SER A 85 17.740 7.191 -11.019 1.00 25.89 C ATOM 173 O SER A 85 17.065 8.212 -11.200 1.00 26.12 O ATOM 174 CB SER A 85 16.694 4.950 -10.950 1.00 17.24 C ATOM 175 OG SER A 85 15.671 5.421 -11.794 1.00 19.44 O ATOM 176 HG SER A 85 15.324 4.672 -12.340 1.00 0.00 H ATOM 177 H SER A 85 15.230 6.408 -9.316 1.00 0.00 H ATOM 178 N SER A 86 18.924 6.996 -11.587 1.00 24.71 N ATOM 179 CA SER A 86 19.505 7.978 -12.504 1.00 30.17 C ATOM 180 C SER A 86 20.357 7.216 -13.495 1.00 23.01 C ATOM 181 O SER A 86 21.373 6.618 -13.115 1.00 25.46 O ATOM 182 CB SER A 86 20.361 8.986 -11.730 1.00 34.07 C ATOM 183 OG SER A 86 20.768 10.059 -12.558 1.00 34.98 O ATOM 184 HG SER A 86 21.318 10.691 -12.031 1.00 0.00 H ATOM 185 H SER A 86 19.451 6.125 -11.375 1.00 0.00 H ATOM 186 N GLY A 87 19.942 7.216 -14.759 1.00 28.40 N ATOM 187 CA GLY A 87 20.644 6.454 -15.771 1.00 24.14 C ATOM 188 C GLY A 87 20.409 4.975 -15.537 1.00 28.90 C ATOM 189 O GLY A 87 21.270 4.140 -15.839 1.00 24.07 O ATOM 190 H GLY A 87 19.103 7.770 -15.024 1.00 0.00 H ATOM 191 N GLY A 88 19.243 4.647 -14.978 1.00 22.96 N ATOM 192 CA GLY A 88 18.925 3.260 -14.684 1.00 18.97 C ATOM 193 C GLY A 88 19.697 2.701 -13.494 1.00 14.36 C ATOM 194 O GLY A 88 19.659 1.492 -13.230 1.00 17.43 O ATOM 195 H GLY A 88 18.554 5.392 -14.750 1.00 0.00 H ATOM 196 N LYS A 89 20.400 3.563 -12.766 1.00 23.11 N ATOM 197 CA LYS A 89 21.122 3.106 -11.577 1.00 19.14 C ATOM 198 C LYS A 89 20.766 3.886 -10.328 1.00 24.20 C ATOM 199 O LYS A 89 20.304 5.035 -10.405 1.00 21.22 O ATOM 200 CB LYS A 89 22.638 3.152 -11.800 1.00 24.21 C ATOM 201 CG LYS A 89 23.130 2.211 -12.884 1.00 23.69 C ATOM 202 CD LYS A 89 24.631 2.376 -13.084 1.00 29.90 C ATOM 203 H LYS A 89 20.437 4.565 -13.042 1.00 0.00 H ATOM 204 N ILE A 90 21.023 3.279 -9.170 1.00 17.41 N ATOM 205 CA ILE A 90 20.702 3.951 -7.917 1.00 19.50 C ATOM 206 C ILE A 90 21.930 3.994 -7.020 1.00 21.00 C ATOM 207 O ILE A 90 22.687 3.012 -6.953 1.00 17.51 O ATOM 208 CB ILE A 90 19.497 3.276 -7.197 1.00 14.72 C ATOM 209 CG1 ILE A 90 18.937 4.201 -6.106 1.00 11.31 C ATOM 210 CG2 ILE A 90 19.879 1.875 -6.650 1.00 11.51 C ATOM 211 CD1 ILE A 90 17.762 3.639 -5.357 1.00 9.46 C ATOM 212 H ILE A 90 21.450 2.331 -9.160 1.00 0.00 H ATOM 213 N SER A 91 22.153 5.133 -6.359 1.00 20.89 N ATOM 214 CA SER A 91 23.289 5.260 -5.441 1.00 15.06 C ATOM 215 C SER A 91 23.049 4.420 -4.200 1.00 11.90 C ATOM 216 O SER A 91 21.908 4.098 -3.883 1.00 12.72 O ATOM 217 CB SER A 91 23.502 6.715 -5.022 1.00 21.04 C ATOM 218 OG SER A 91 22.479 7.155 -4.159 1.00 19.83 O ATOM 219 HG SER A 91 22.645 8.098 -3.906 1.00 0.00 H ATOM 220 H SER A 91 21.512 5.940 -6.497 1.00 0.00 H ATOM 221 N ILE A 92 24.121 4.077 -3.480 1.00 15.14 N ATOM 222 CA ILE A 92 23.990 3.300 -2.255 1.00 16.97 C ATOM 223 C ILE A 92 23.176 4.082 -1.227 1.00 17.57 C ATOM 224 O ILE A 92 22.331 3.503 -0.549 1.00 19.19 O ATOM 225 CB ILE A 92 25.349 2.903 -1.677 1.00 17.08 C ATOM 226 CG1 ILE A 92 26.083 1.992 -2.663 1.00 23.57 C ATOM 227 CG2 ILE A 92 25.176 2.205 -0.329 1.00 16.68 C ATOM 228 CD1 ILE A 92 27.361 1.445 -2.124 1.00 19.98 C ATOM 229 H ILE A 92 25.066 4.370 -3.800 1.00 0.00 H ATOM 230 N ASP A 93 23.418 5.388 -1.115 1.00 19.63 N ATOM 231 CA ASP A 93 22.655 6.213 -0.191 1.00 18.59 C ATOM 232 C ASP A 93 21.161 6.226 -0.489 1.00 19.73 C ATOM 233 O ASP A 93 20.330 6.192 0.428 1.00 13.44 O ATOM 234 CB ASP A 93 23.201 7.634 -0.178 1.00 23.26 C ATOM 235 CG ASP A 93 24.480 7.753 0.629 1.00 42.06 C ATOM 236 OD1 ASP A 93 24.731 6.874 1.480 1.00 45.90 O ATOM 237 OD2 ASP A 93 25.231 8.727 0.410 1.00 51.75 O ATOM 238 H ASP A 93 24.163 5.823 -1.696 1.00 0.00 H ATOM 239 N ASN A 94 20.803 6.287 -1.764 1.00 21.71 N ATOM 240 CA ASN A 94 19.395 6.249 -2.104 1.00 13.77 C ATOM 241 C ASN A 94 18.827 4.859 -1.923 1.00 10.88 C ATOM 242 O ASN A 94 17.659 4.703 -1.535 1.00 10.37 O ATOM 243 CB ASN A 94 19.139 6.782 -3.522 1.00 17.60 C ATOM 244 CG ASN A 94 19.184 8.290 -3.586 1.00 23.29 C ATOM 245 OD1 ASN A 94 18.931 8.968 -2.589 1.00 16.13 O ATOM 246 ND2 ASN A 94 19.518 8.830 -4.768 1.00 23.37 N ATOM 247 HD22 ASN A 94 19.723 8.215 -5.581 1.00 0.00 H ATOM 248 HD21 ASN A 94 19.572 9.863 -4.871 1.00 0.00 H ATOM 249 H ASN A 94 21.523 6.361 -2.510 1.00 0.00 H ATOM 250 N ALA A 95 19.652 3.845 -2.189 1.00 8.87 N ATOM 251 CA ALA A 95 19.229 2.458 -1.967 1.00 9.80 C ATOM 252 C ALA A 95 18.957 2.189 -0.475 1.00 18.41 C ATOM 253 O ALA A 95 18.007 1.476 -0.126 1.00 11.00 O ATOM 254 CB ALA A 95 20.235 1.481 -2.511 1.00 8.35 C ATOM 255 H ALA A 95 20.605 4.040 -2.558 1.00 0.00 H ATOM 256 N SER A 96 19.783 2.753 0.403 1.00 15.22 N ATOM 257 CA SER A 96 19.564 2.593 1.847 1.00 15.20 C ATOM 258 C SER A 96 18.318 3.357 2.308 1.00 10.74 C ATOM 259 O SER A 96 17.566 2.887 3.176 1.00 14.23 O ATOM 260 CB SER A 96 20.798 3.040 2.651 1.00 16.17 C ATOM 261 OG SER A 96 21.836 2.093 2.547 1.00 21.44 O ATOM 262 HG SER A 96 22.617 2.402 3.071 1.00 0.00 H ATOM 263 H SER A 96 20.591 3.312 0.064 1.00 0.00 H ATOM 264 N TYR A 97 18.125 4.554 1.763 1.00 13.38 N ATOM 265 CA TYR A 97 16.892 5.315 1.995 1.00 17.94 C ATOM 266 C TYR A 97 15.655 4.497 1.631 1.00 15.49 C ATOM 267 O TYR A 97 14.722 4.369 2.427 1.00 12.96 O ATOM 268 CB TYR A 97 16.896 6.600 1.165 1.00 17.55 C ATOM 269 CG TYR A 97 15.638 7.415 1.328 1.00 11.90 C ATOM 270 CD1 TYR A 97 15.414 8.149 2.477 1.00 19.26 C ATOM 271 CD2 TYR A 97 14.677 7.458 0.326 1.00 21.78 C ATOM 272 CE1 TYR A 97 14.259 8.914 2.629 1.00 22.76 C ATOM 273 CE2 TYR A 97 13.525 8.223 0.462 1.00 18.87 C ATOM 274 CZ TYR A 97 13.321 8.944 1.616 1.00 22.83 C ATOM 275 OH TYR A 97 12.177 9.697 1.753 1.00 28.94 O ATOM 276 HH TYR A 97 12.185 10.150 2.633 1.00 0.00 H ATOM 277 H TYR A 97 18.866 4.961 1.157 1.00 0.00 H ATOM 278 N ASN A 98 15.651 3.958 0.417 1.00 10.21 N ATOM 279 CA ASN A 98 14.573 3.096 -0.048 1.00 13.89 C ATOM 280 C ASN A 98 14.348 1.898 0.866 1.00 14.13 C ATOM 281 O ASN A 98 13.209 1.566 1.180 1.00 9.95 O ATOM 282 CB ASN A 98 14.874 2.597 -1.471 1.00 15.20 C ATOM 283 CG ASN A 98 14.655 3.654 -2.508 1.00 17.19 C ATOM 284 OD1 ASN A 98 14.300 4.797 -2.169 1.00 16.22 O ATOM 285 ND2 ASN A 98 14.858 3.292 -3.797 1.00 12.84 N ATOM 286 HD22 ASN A 98 15.155 2.321 -4.024 1.00 0.00 H ATOM 287 HD21 ASN A 98 14.717 3.985 -4.560 1.00 0.00 H ATOM 288 H ASN A 98 16.445 4.158 -0.224 1.00 0.00 H ATOM 289 N ALA A 99 15.444 1.250 1.276 1.00 10.30 N ATOM 290 CA ALA A 99 15.395 0.082 2.159 1.00 8.96 C ATOM 291 C ALA A 99 14.654 0.450 3.448 1.00 9.74 C ATOM 292 O ALA A 99 13.807 -0.299 3.947 1.00 11.55 O ATOM 293 CB ALA A 99 16.821 -0.441 2.460 1.00 13.90 C ATOM 294 H ALA A 99 16.372 1.590 0.954 1.00 0.00 H ATOM 295 N ARG A 100 14.970 1.623 3.975 1.00 10.71 N ATOM 296 CA ARG A 100 14.320 2.121 5.185 1.00 8.15 C ATOM 297 C ARG A 100 12.840 2.388 4.998 1.00 16.97 C ATOM 298 O ARG A 100 12.037 2.047 5.878 1.00 10.60 O ATOM 299 CB ARG A 100 15.044 3.373 5.715 1.00 10.31 C ATOM 300 CG ARG A 100 16.446 3.042 6.190 1.00 9.53 C ATOM 301 CD ARG A 100 17.296 4.244 6.521 1.00 11.33 C ATOM 302 NE ARG A 100 18.565 3.806 7.108 1.00 15.22 N ATOM 303 CZ ARG A 100 19.760 4.257 6.749 1.00 17.34 C ATOM 304 NH1 ARG A 100 19.867 5.181 5.809 1.00 27.88 N ATOM 305 NH2 ARG A 100 20.849 3.776 7.338 1.00 16.06 N ATOM 306 HE ARG A 100 18.526 3.089 7.861 1.00 0.00 H ATOM 307 HH12 ARG A 100 20.805 5.533 5.530 1.00 0.00 H ATOM 308 HH11 ARG A 100 19.013 5.556 5.349 1.00 0.00 H ATOM 309 HH22 ARG A 100 21.788 4.126 7.060 1.00 0.00 H ATOM 310 HH21 ARG A 100 20.763 3.049 8.077 1.00 0.00 H ATOM 311 H ARG A 100 15.700 2.205 3.516 1.00 0.00 H ATOM 312 N LYS A 101 12.479 2.987 3.862 1.00 15.54 N ATOM 313 CA LYS A 101 11.071 3.214 3.543 1.00 16.02 C ATOM 314 C LYS A 101 10.287 1.922 3.437 1.00 19.75 C ATOM 315 O LYS A 101 9.119 1.855 3.837 1.00 18.60 O ATOM 316 CB LYS A 101 10.906 4.040 2.264 1.00 12.29 C ATOM 317 CG LYS A 101 11.232 5.497 2.447 1.00 18.85 C ATOM 318 CD LYS A 101 10.373 6.363 1.534 1.00 16.13 C ATOM 319 CE LYS A 101 10.626 6.067 0.060 1.00 20.13 C ATOM 320 NZ LYS A 101 9.877 7.039 -0.768 1.00 20.15 N ATOM 321 HZ1 LYS A 101 8.861 6.955 -0.564 1.00 0.00 H ATOM 322 HZ2 LYS A 101 10.198 8.003 -0.545 1.00 0.00 H ATOM 323 HZ3 LYS A 101 10.048 6.839 -1.774 1.00 0.00 H ATOM 324 H LYS A 101 13.212 3.298 3.192 1.00 0.00 H ATOM 325 N LEU A 102 10.940 0.895 2.900 1.00 14.11 N ATOM 326 CA LEU A 102 10.337 -0.435 2.775 1.00 10.10 C ATOM 327 C LEU A 102 10.242 -1.131 4.127 1.00 12.87 C ATOM 328 O LEU A 102 9.681 -2.227 4.225 1.00 12.63 O ATOM 329 CB LEU A 102 11.174 -1.321 1.857 1.00 14.52 C ATOM 330 CG LEU A 102 11.157 -0.958 0.374 1.00 19.22 C ATOM 331 CD1 LEU A 102 12.326 -1.618 -0.344 1.00 13.97 C ATOM 332 CD2 LEU A 102 9.865 -1.391 -0.262 1.00 9.27 C ATOM 333 H LEU A 102 11.911 1.041 2.557 1.00 0.00 H ATOM 334 N GLY A 103 10.821 -0.527 5.166 1.00 17.21 N ATOM 335 CA GLY A 103 10.798 -1.116 6.505 1.00 11.07 C ATOM 336 C GLY A 103 11.988 -2.008 6.843 1.00 18.14 C ATOM 337 O GLY A 103 11.910 -2.848 7.758 1.00 11.14 O ATOM 338 H GLY A 103 11.300 0.384 5.021 1.00 0.00 H ATOM 339 N LEU A 104 13.097 -1.826 6.129 1.00 12.87 N ATOM 340 CA LEU A 104 14.329 -2.590 6.395 1.00 11.86 C ATOM 341 C LEU A 104 15.353 -1.733 7.151 1.00 16.14 C ATOM 342 O LEU A 104 15.244 -0.515 7.192 1.00 8.04 O ATOM 343 CB LEU A 104 14.943 -3.118 5.095 1.00 16.03 C ATOM 344 CG LEU A 104 14.043 -4.019 4.258 1.00 14.56 C ATOM 345 CD1 LEU A 104 14.777 -4.467 2.998 1.00 17.79 C ATOM 346 CD2 LEU A 104 13.628 -5.235 5.074 1.00 14.94 C ATOM 347 H LEU A 104 13.094 -1.124 5.361 1.00 0.00 H ATOM 348 N ALA A 105 16.371 -2.368 7.726 1.00 9.29 N ATOM 349 CA ALA A 105 17.306 -1.641 8.575 1.00 13.26 C ATOM 350 C ALA A 105 18.771 -1.895 8.218 1.00 8.41 C ATOM 351 O ALA A 105 19.449 -2.694 8.894 1.00 10.67 O ATOM 352 CB ALA A 105 17.057 -1.975 10.036 1.00 12.17 C ATOM 353 H ALA A 105 16.500 -3.388 7.569 1.00 0.00 H ATOM 354 N PRO A 106 19.272 -1.207 7.171 1.00 15.28 N ATOM 355 CA PRO A 106 20.699 -1.313 6.826 1.00 19.20 C ATOM 356 C PRO A 106 21.609 -0.626 7.845 1.00 12.49 C ATOM 357 O PRO A 106 21.234 0.416 8.383 1.00 13.43 O ATOM 358 CB PRO A 106 20.794 -0.580 5.468 1.00 12.89 C ATOM 359 CG PRO A 106 19.572 0.281 5.410 1.00 12.78 C ATOM 360 CD PRO A 106 18.509 -0.511 6.112 1.00 9.88 C ATOM 361 N SER A 107 22.794 -1.200 8.077 1.00 10.09 N ATOM 362 CA SER A 107 23.873 -0.524 8.794 1.00 13.98 C ATOM 363 C SER A 107 25.006 -0.192 7.825 1.00 17.52 C ATOM 364 O SER A 107 24.942 -0.523 6.642 1.00 14.21 O ATOM 365 CB SER A 107 24.393 -1.405 9.922 1.00 10.23 C ATOM 366 OG SER A 107 25.054 -2.543 9.421 1.00 11.88 O ATOM 367 HG SER A 107 25.379 -3.094 10.177 1.00 0.00 H ATOM 368 H SER A 107 22.955 -2.168 7.733 1.00 0.00 H ATOM 369 N SER A 108 26.053 0.450 8.321 1.00 12.27 N ATOM 370 CA SER A 108 27.241 0.725 7.509 1.00 7.23 C ATOM 371 C SER A 108 27.881 -0.577 7.003 1.00 19.18 C ATOM 372 O SER A 108 28.558 -0.591 5.972 1.00 20.18 O ATOM 373 CB SER A 108 28.257 1.497 8.342 1.00 10.69 C ATOM 374 OG SER A 108 28.667 0.738 9.463 1.00 15.64 O ATOM 375 HG SER A 108 29.082 -0.106 9.155 1.00 0.00 H ATOM 376 H SER A 108 26.031 0.767 9.311 1.00 0.00 H ATOM 377 N ILE A 109 27.669 -1.680 7.717 1.00 16.16 N ATOM 378 CA ILE A 109 28.239 -2.958 7.289 1.00 15.49 C ATOM 379 C ILE A 109 27.586 -3.421 5.987 1.00 12.89 C ATOM 380 O ILE A 109 28.257 -3.923 5.082 1.00 13.37 O ATOM 381 CB ILE A 109 28.040 -4.018 8.348 1.00 17.20 C ATOM 382 CG1 ILE A 109 28.766 -3.605 9.632 1.00 18.58 C ATOM 383 CG2 ILE A 109 28.534 -5.381 7.860 1.00 17.49 C ATOM 384 CD1 ILE A 109 28.606 -4.583 10.745 1.00 19.94 C ATOM 385 H ILE A 109 27.095 -1.633 8.583 1.00 0.00 H ATOM 386 N ASP A 110 26.271 -3.264 5.898 1.00 12.03 N ATOM 387 CA ASP A 110 25.549 -3.605 4.688 1.00 14.80 C ATOM 388 C ASP A 110 26.000 -2.695 3.551 1.00 16.21 C ATOM 389 O ASP A 110 26.255 -3.168 2.437 1.00 15.16 O ATOM 390 CB ASP A 110 24.055 -3.446 4.942 1.00 13.15 C ATOM 391 CG ASP A 110 23.576 -4.289 6.115 1.00 19.22 C ATOM 392 OD1 ASP A 110 24.065 -5.430 6.262 1.00 17.97 O ATOM 393 OD2 ASP A 110 22.726 -3.808 6.900 1.00 15.43 O ATOM 394 H ASP A 110 25.747 -2.888 6.714 1.00 0.00 H ATOM 395 N GLU A 111 26.127 -1.399 3.841 1.00 8.62 N ATOM 396 CA GLU A 111 26.582 -0.453 2.817 1.00 17.85 C ATOM 397 C GLU A 111 28.004 -0.717 2.317 1.00 20.10 C ATOM 398 O GLU A 111 28.253 -0.623 1.112 1.00 15.94 O ATOM 399 CB GLU A 111 26.454 0.988 3.308 1.00 16.89 C ATOM 400 CG GLU A 111 25.011 1.478 3.335 1.00 15.78 C ATOM 401 CD GLU A 111 24.900 2.914 3.797 1.00 27.16 C ATOM 402 OE1 GLU A 111 25.930 3.464 4.236 1.00 34.60 O ATOM 403 OE2 GLU A 111 23.790 3.498 3.731 1.00 22.64 O ATOM 404 H GLU A 111 25.902 -1.058 4.798 1.00 0.00 H ATOM 405 N LYS A 112 28.929 -1.040 3.224 1.00 10.07 N ATOM 406 CA LYS A 112 30.292 -1.369 2.813 1.00 14.06 C ATOM 407 C LYS A 112 30.302 -2.647 1.980 1.00 17.51 C ATOM 408 O LYS A 112 31.071 -2.784 1.025 1.00 19.19 O ATOM 409 CB LYS A 112 31.205 -1.488 4.045 1.00 18.36 C ATOM 410 CG LYS A 112 31.368 -0.167 4.798 1.00 24.47 C ATOM 411 CD LYS A 112 32.100 -0.322 6.152 1.00 27.77 C ATOM 412 CE LYS A 112 32.157 1.012 6.887 1.00 23.32 C ATOM 413 NZ LYS A 112 33.022 0.990 8.133 1.00 29.98 N ATOM 414 HZ1 LYS A 112 32.648 0.285 8.801 1.00 0.00 H ATOM 415 HZ2 LYS A 112 33.997 0.739 7.872 1.00 0.00 H ATOM 416 HZ3 LYS A 112 33.012 1.930 8.577 1.00 0.00 H ATOM 417 H LYS A 112 28.677 -1.058 4.233 1.00 0.00 H ATOM 418 N LYS A 113 29.423 -3.582 2.324 1.00 17.53 N ATOM 419 CA LYS A 113 29.370 -4.870 1.630 1.00 9.96 C ATOM 420 C LYS A 113 28.898 -4.750 0.182 1.00 20.78 C ATOM 421 O LYS A 113 29.430 -5.411 -0.714 1.00 21.93 O ATOM 422 CB LYS A 113 28.482 -5.850 2.408 1.00 18.83 C ATOM 423 CG LYS A 113 28.326 -7.235 1.777 1.00 19.33 C ATOM 424 CD LYS A 113 27.679 -8.235 2.752 1.00 25.64 C ATOM 425 H LYS A 113 28.759 -3.395 3.102 1.00 0.00 H ATOM 426 N ILE A 114 27.905 -3.906 -0.068 1.00 18.97 N ATOM 427 CA ILE A 114 27.382 -3.823 -1.419 1.00 15.23 C ATOM 428 C ILE A 114 28.335 -3.026 -2.298 1.00 11.40 C ATOM 429 O ILE A 114 28.478 -3.303 -3.503 1.00 18.59 O ATOM 430 CB ILE A 114 25.937 -3.268 -1.461 1.00 6.54 C ATOM 431 CG1 ILE A 114 25.282 -3.597 -2.796 1.00 9.86 C ATOM 432 CG2 ILE A 114 25.897 -1.768 -1.157 1.00 8.95 C ATOM 433 CD1 ILE A 114 25.005 -5.079 -2.989 1.00 13.40 C ATOM 434 H ILE A 114 27.509 -3.315 0.690 1.00 0.00 H ATOM 435 N LYS A 115 29.029 -2.072 -1.689 1.00 12.95 N ATOM 436 CA LYS A 115 30.031 -1.275 -2.388 1.00 17.61 C ATOM 437 C LYS A 115 31.211 -2.126 -2.806 1.00 21.35 C ATOM 438 O LYS A 115 31.774 -1.912 -3.882 1.00 13.66 O ATOM 439 CB LYS A 115 30.507 -0.124 -1.495 1.00 19.62 C ATOM 440 CG LYS A 115 31.609 0.731 -2.117 1.00 24.46 C ATOM 441 CD LYS A 115 32.023 1.862 -1.165 1.00 35.20 C ATOM 442 CE LYS A 115 33.202 2.649 -1.700 1.00 41.18 C ATOM 443 NZ LYS A 115 32.844 3.404 -2.907 1.00 29.63 N ATOM 444 HZ1 LYS A 115 32.526 2.744 -3.646 1.00 0.00 H ATOM 445 HZ2 LYS A 115 32.078 4.071 -2.683 1.00 0.00 H ATOM 446 HZ3 LYS A 115 33.675 3.930 -3.245 1.00 0.00 H ATOM 447 H LYS A 115 28.853 -1.887 -0.681 1.00 0.00 H ATOM 448 N GLU A 116 31.597 -3.089 -1.967 1.00 13.58 N ATOM 449 CA GLU A 116 32.737 -3.945 -2.298 1.00 16.58 C ATOM 450 C GLU A 116 32.394 -4.864 -3.463 1.00 17.26 C ATOM 451 O GLU A 116 33.251 -5.174 -4.286 1.00 20.54 O ATOM 452 CB GLU A 116 33.201 -4.761 -1.080 1.00 9.54 C ATOM 453 CG GLU A 116 33.915 -3.948 -0.024 1.00 19.11 C ATOM 454 H GLU A 116 31.085 -3.232 -1.073 1.00 0.00 H ATOM 455 N LEU A 117 31.136 -5.277 -3.542 1.00 12.74 N ATOM 456 CA LEU A 117 30.654 -6.087 -4.660 1.00 13.15 C ATOM 457 C LEU A 117 30.509 -5.315 -5.963 1.00 15.41 C ATOM 458 O LEU A 117 30.931 -5.792 -7.014 1.00 20.92 O ATOM 459 CB LEU A 117 29.299 -6.707 -4.316 1.00 20.12 C ATOM 460 CG LEU A 117 29.312 -7.713 -3.178 1.00 22.35 C ATOM 461 CD1 LEU A 117 27.886 -8.037 -2.710 1.00 22.09 C ATOM 462 CD2 LEU A 117 30.032 -8.985 -3.643 1.00 31.50 C ATOM 463 H LEU A 117 30.472 -5.017 -2.785 1.00 0.00 H ATOM 464 N TYR A 118 29.898 -4.133 -5.909 1.00 17.36 N ATOM 465 CA TYR A 118 29.400 -3.493 -7.130 1.00 18.41 C ATOM 466 C TYR A 118 29.810 -2.042 -7.361 1.00 25.15 C ATOM 467 O TYR A 118 29.618 -1.520 -8.464 1.00 20.71 O ATOM 468 CB TYR A 118 27.877 -3.645 -7.205 1.00 19.87 C ATOM 469 CG TYR A 118 27.409 -5.077 -7.174 1.00 18.65 C ATOM 470 CD1 TYR A 118 28.017 -6.043 -7.971 1.00 18.69 C ATOM 471 CD2 TYR A 118 26.365 -5.467 -6.346 1.00 11.52 C ATOM 472 CE1 TYR A 118 27.602 -7.373 -7.952 1.00 18.68 C ATOM 473 CE2 TYR A 118 25.938 -6.801 -6.312 1.00 11.02 C ATOM 474 CZ TYR A 118 26.570 -7.742 -7.115 1.00 18.14 C ATOM 475 OH TYR A 118 26.164 -9.056 -7.098 1.00 20.09 O ATOM 476 HH TYR A 118 25.214 -9.110 -7.373 1.00 0.00 H ATOM 477 H TYR A 118 29.773 -3.659 -4.992 1.00 0.00 H ATOM 478 N GLY A 119 30.357 -1.384 -6.342 1.00 20.83 N ATOM 479 CA GLY A 119 30.692 0.035 -6.450 1.00 13.19 C ATOM 480 C GLY A 119 29.528 0.878 -5.925 1.00 20.87 C ATOM 481 O GLY A 119 28.655 0.338 -5.241 1.00 21.05 O ATOM 482 H GLY A 119 30.550 -1.888 -5.453 1.00 0.00 H ATOM 483 N ASP A 120 29.499 2.169 -6.269 1.00 19.13 N ATOM 484 CA ASP A 120 28.570 3.149 -5.677 1.00 20.22 C ATOM 485 C ASP A 120 27.198 3.246 -6.311 1.00 17.57 C ATOM 486 O ASP A 120 26.283 3.829 -5.730 1.00 23.01 O ATOM 487 CB ASP A 120 29.194 4.549 -5.744 1.00 37.21 C ATOM 488 CG ASP A 120 30.252 4.768 -4.697 1.00 46.35 C ATOM 489 OD1 ASP A 120 30.239 4.047 -3.681 1.00 42.74 O ATOM 490 OD2 ASP A 120 31.089 5.674 -4.891 1.00 52.60 O ATOM 491 H ASP A 120 30.168 2.500 -6.993 1.00 0.00 H ATOM 492 N ASN A 121 27.060 2.699 -7.511 1.00 14.87 N ATOM 493 CA ASN A 121 25.829 2.818 -8.269 1.00 21.88 C ATOM 494 C ASN A 121 25.329 1.478 -8.725 1.00 22.69 C ATOM 495 O ASN A 121 26.001 0.795 -9.501 1.00 24.00 O ATOM 496 CB ASN A 121 26.058 3.706 -9.482 1.00 24.48 C ATOM 497 CG ASN A 121 26.306 5.116 -9.090 1.00 37.33 C ATOM 498 OD1 ASN A 121 25.392 5.804 -8.644 1.00 39.65 O ATOM 499 ND2 ASN A 121 27.554 5.560 -9.210 1.00 35.37 N ATOM 500 HD22 ASN A 121 28.293 4.937 -9.594 1.00 0.00 H ATOM 501 HD21 ASN A 121 27.791 6.530 -8.920 1.00 0.00 H ATOM 502 H ASN A 121 27.856 2.170 -7.920 1.00 0.00 H ATOM 503 N LEU A 122 24.133 1.130 -8.262 1.00 14.36 N ATOM 504 CA LEU A 122 23.588 -0.201 -8.436 1.00 17.92 C ATOM 505 C LEU A 122 22.560 -0.242 -9.565 1.00 22.07 C ATOM 506 O LEU A 122 21.694 0.634 -9.682 1.00 18.83 O ATOM 507 CB LEU A 122 22.928 -0.652 -7.143 1.00 12.17 C ATOM 508 CG LEU A 122 23.731 -0.392 -5.873 1.00 15.61 C ATOM 509 CD1 LEU A 122 22.938 -0.956 -4.687 1.00 17.64 C ATOM 510 CD2 LEU A 122 25.109 -1.063 -5.960 1.00 13.09 C ATOM 511 H LEU A 122 23.567 1.840 -7.755 1.00 0.00 H ATOM 512 N THR A 123 22.653 -1.280 -10.393 1.00 19.75 N ATOM 513 CA THR A 123 21.587 -1.603 -11.330 1.00 17.60 C ATOM 514 C THR A 123 20.385 -2.038 -10.522 1.00 22.76 C ATOM 515 O THR A 123 20.488 -2.259 -9.301 1.00 20.63 O ATOM 516 CB THR A 123 21.970 -2.752 -12.238 1.00 20.63 C ATOM 517 OG1 THR A 123 22.281 -3.893 -11.430 1.00 14.93 O ATOM 518 CG2 THR A 123 23.190 -2.387 -13.117 1.00 20.00 C ATOM 519 HG1 THR A 123 22.533 -4.651 -12.015 1.00 0.00 H ATOM 520 H THR A 123 23.507 -1.874 -10.370 1.00 0.00 H ATOM 521 N TYR A 124 19.248 -2.213 -11.193 1.00 15.73 N ATOM 522 CA TYR A 124 18.041 -2.656 -10.500 1.00 17.95 C ATOM 523 C TYR A 124 18.265 -4.009 -9.826 1.00 19.45 C ATOM 524 O TYR A 124 17.861 -4.212 -8.679 1.00 16.14 O ATOM 525 CB TYR A 124 16.845 -2.737 -11.460 1.00 17.25 C ATOM 526 CG TYR A 124 15.574 -3.047 -10.721 1.00 23.63 C ATOM 527 CD1 TYR A 124 15.026 -2.120 -9.845 1.00 11.04 C ATOM 528 CD2 TYR A 124 14.921 -4.268 -10.882 1.00 22.10 C ATOM 529 CE1 TYR A 124 13.853 -2.389 -9.143 1.00 16.98 C ATOM 530 CE2 TYR A 124 13.738 -4.551 -10.181 1.00 22.60 C ATOM 531 CZ TYR A 124 13.221 -3.602 -9.307 1.00 20.73 C ATOM 532 OH TYR A 124 12.064 -3.847 -8.603 1.00 20.77 O ATOM 533 HH TYR A 124 11.852 -3.064 -8.036 1.00 0.00 H ATOM 534 H TYR A 124 19.219 -2.033 -12.217 1.00 0.00 H ATOM 535 N GLU A 125 18.899 -4.937 -10.545 1.00 18.79 N ATOM 536 CA GLU A 125 19.152 -6.271 -9.997 1.00 16.89 C ATOM 537 C GLU A 125 20.126 -6.238 -8.819 1.00 19.12 C ATOM 538 O GLU A 125 19.940 -6.976 -7.850 1.00 13.79 O ATOM 539 CB GLU A 125 19.676 -7.221 -11.075 1.00 18.49 C ATOM 540 CG GLU A 125 18.645 -7.526 -12.157 1.00 30.50 C ATOM 541 H GLU A 125 19.218 -4.710 -11.508 1.00 0.00 H ATOM 542 N GLN A 126 21.157 -5.397 -8.885 1.00 11.77 N ATOM 543 CA GLN A 126 22.089 -5.296 -7.746 1.00 16.03 C ATOM 544 C GLN A 126 21.399 -4.679 -6.532 1.00 18.79 C ATOM 545 O GLN A 126 21.739 -4.960 -5.368 1.00 9.97 O ATOM 546 CB GLN A 126 23.336 -4.503 -8.142 1.00 15.06 C ATOM 547 CG GLN A 126 24.197 -5.207 -9.191 1.00 15.83 C ATOM 548 CD GLN A 126 25.143 -4.249 -9.900 1.00 20.37 C ATOM 549 OE1 GLN A 126 25.103 -3.034 -9.665 1.00 16.60 O ATOM 550 NE2 GLN A 126 26.014 -4.793 -10.761 1.00 13.76 N ATOM 551 HE22 GLN A 126 26.010 -5.820 -10.926 1.00 0.00 H ATOM 552 HE21 GLN A 126 26.694 -4.188 -11.264 1.00 0.00 H ATOM 553 H GLN A 126 21.304 -4.815 -9.734 1.00 0.00 H ATOM 554 N TYR A 127 20.432 -3.821 -6.820 1.00 15.91 N ATOM 555 CA TYR A 127 19.645 -3.143 -5.795 1.00 17.17 C ATOM 556 C TYR A 127 18.750 -4.140 -5.055 1.00 13.77 C ATOM 557 O TYR A 127 18.602 -4.069 -3.842 1.00 12.74 O ATOM 558 CB TYR A 127 18.854 -2.000 -6.471 1.00 14.54 C ATOM 559 CG TYR A 127 17.585 -1.521 -5.786 1.00 14.31 C ATOM 560 CD1 TYR A 127 17.628 -0.642 -4.716 1.00 10.55 C ATOM 561 CD2 TYR A 127 16.337 -1.878 -6.279 1.00 12.61 C ATOM 562 CE1 TYR A 127 16.449 -0.173 -4.125 1.00 11.92 C ATOM 563 CE2 TYR A 127 15.172 -1.416 -5.699 1.00 12.25 C ATOM 564 CZ TYR A 127 15.231 -0.555 -4.634 1.00 11.34 C ATOM 565 OH TYR A 127 14.048 -0.099 -4.076 1.00 13.40 O ATOM 566 HH TYR A 127 13.527 0.388 -4.763 1.00 0.00 H ATOM 567 H TYR A 127 20.225 -3.622 -7.819 1.00 0.00 H ATOM 568 N LEU A 128 18.182 -5.088 -5.795 1.00 13.82 N ATOM 569 CA LEU A 128 17.375 -6.141 -5.185 1.00 13.22 C ATOM 570 C LEU A 128 18.253 -7.028 -4.302 1.00 19.32 C ATOM 571 O LEU A 128 17.844 -7.473 -3.233 1.00 12.22 O ATOM 572 CB LEU A 128 16.725 -6.986 -6.265 1.00 13.36 C ATOM 573 CG LEU A 128 15.749 -6.266 -7.185 1.00 12.57 C ATOM 574 CD1 LEU A 128 15.213 -7.230 -8.236 1.00 20.65 C ATOM 575 CD2 LEU A 128 14.624 -5.704 -6.325 1.00 14.60 C ATOM 576 H LEU A 128 18.315 -5.079 -6.826 1.00 0.00 H ATOM 577 N GLU A 129 19.468 -7.295 -4.764 1.00 20.84 N ATOM 578 CA GLU A 129 20.422 -8.059 -3.970 1.00 22.13 C ATOM 579 C GLU A 129 20.691 -7.333 -2.658 1.00 16.22 C ATOM 580 O GLU A 129 20.677 -7.939 -1.591 1.00 18.61 O ATOM 581 CB GLU A 129 21.722 -8.218 -4.758 1.00 26.08 C ATOM 582 CG GLU A 129 22.222 -9.627 -4.850 1.00 36.12 C ATOM 583 CD GLU A 129 23.407 -9.732 -5.785 1.00 44.52 C ATOM 584 OE1 GLU A 129 24.544 -9.510 -5.318 1.00 46.64 O ATOM 585 OE2 GLU A 129 23.195 -10.009 -6.991 1.00 44.34 O ATOM 586 H GLU A 129 19.744 -6.954 -5.707 1.00 0.00 H ATOM 587 N TYR A 130 20.942 -6.027 -2.744 1.00 11.51 N ATOM 588 CA TYR A 130 21.190 -5.204 -1.563 1.00 13.59 C ATOM 589 C TYR A 130 20.018 -5.267 -0.565 1.00 14.32 C ATOM 590 O TYR A 130 20.207 -5.422 0.641 1.00 10.01 O ATOM 591 CB TYR A 130 21.451 -3.756 -2.005 1.00 13.90 C ATOM 592 CG TYR A 130 21.722 -2.853 -0.823 1.00 12.84 C ATOM 593 CD1 TYR A 130 22.728 -3.156 0.079 1.00 12.28 C ATOM 594 CD2 TYR A 130 20.971 -1.704 -0.607 1.00 15.14 C ATOM 595 CE1 TYR A 130 22.988 -2.314 1.196 1.00 12.84 C ATOM 596 CE2 TYR A 130 21.219 -0.857 0.490 1.00 16.01 C ATOM 597 CZ TYR A 130 22.229 -1.173 1.380 1.00 12.75 C ATOM 598 OH TYR A 130 22.471 -0.348 2.450 1.00 12.02 O ATOM 599 HH TYR A 130 22.709 0.555 2.122 1.00 0.00 H ATOM 600 H TYR A 130 20.962 -5.579 -3.682 1.00 0.00 H ATOM 601 N LEU A 131 18.798 -5.168 -1.077 1.00 10.00 N ATOM 602 CA LEU A 131 17.632 -5.291 -0.215 1.00 10.89 C ATOM 603 C LEU A 131 17.604 -6.635 0.535 1.00 12.91 C ATOM 604 O LEU A 131 17.315 -6.670 1.725 1.00 15.24 O ATOM 605 CB LEU A 131 16.336 -5.054 -1.010 1.00 9.67 C ATOM 606 CG LEU A 131 16.171 -3.656 -1.602 1.00 9.93 C ATOM 607 CD1 LEU A 131 14.851 -3.558 -2.401 1.00 13.08 C ATOM 608 CD2 LEU A 131 16.218 -2.583 -0.509 1.00 8.59 C ATOM 609 H LEU A 131 18.675 -5.002 -2.096 1.00 0.00 H ATOM 610 N SER A 132 17.964 -7.797 -0.062 1.00 12.97 N ATOM 611 CA SER A 132 17.966 -9.101 0.599 1.00 14.16 C ATOM 612 C SER A 132 19.031 -9.140 1.687 1.00 20.26 C ATOM 613 O SER A 132 18.835 -9.750 2.748 1.00 20.50 O ATOM 614 CB SER A 132 18.170 -10.241 -0.407 1.00 17.13 C ATOM 615 OG SER A 132 19.436 -10.166 -1.026 1.00 16.18 O ATOM 616 HG SER A 132 19.516 -9.305 -1.508 1.00 0.00 H ATOM 617 H SER A 132 18.259 -7.759 -1.059 1.00 0.00 H ATOM 618 N ILE A 133 20.100 -8.413 1.377 1.00 13.80 N ATOM 619 CA ILE A 133 21.157 -8.262 2.392 1.00 16.47 C ATOM 620 C ILE A 133 20.661 -7.468 3.615 1.00 23.82 C ATOM 621 O ILE A 133 21.140 -7.667 4.745 1.00 24.98 O ATOM 622 CB ILE A 133 22.406 -7.560 1.767 1.00 16.32 C ATOM 623 CG1 ILE A 133 23.151 -8.518 0.850 1.00 25.46 C ATOM 624 CG2 ILE A 133 23.360 -7.038 2.819 1.00 22.75 C ATOM 625 CD1 ILE A 133 23.959 -7.811 -0.197 1.00 32.56 C ATOM 626 H ILE A 133 20.188 -7.963 0.443 1.00 0.00 H ATOM 627 N CYS A 134 19.697 -6.573 3.401 1.00 16.04 N ATOM 628 CA CYS A 134 19.227 -5.719 4.493 1.00 8.73 C ATOM 629 C CYS A 134 18.089 -6.334 5.295 1.00 16.49 C ATOM 630 O CYS A 134 17.589 -5.712 6.224 1.00 15.92 O ATOM 631 CB CYS A 134 18.775 -4.368 3.957 1.00 12.56 C ATOM 632 SG CYS A 134 20.126 -3.371 3.248 1.00 20.96 S ATOM 633 H CYS A 134 19.277 -6.481 2.454 1.00 0.00 H ATOM 634 N VAL A 135 17.671 -7.541 4.939 1.00 19.97 N ATOM 635 CA VAL A 135 16.513 -8.151 5.594 1.00 23.85 C ATOM 636 C VAL A 135 16.790 -8.404 7.078 1.00 19.71 C ATOM 637 O VAL A 135 15.972 -8.072 7.934 1.00 13.81 O ATOM 638 CB VAL A 135 16.073 -9.437 4.886 1.00 19.79 C ATOM 639 CG1 VAL A 135 15.060 -10.204 5.741 1.00 25.62 C ATOM 640 CG2 VAL A 135 15.468 -9.103 3.526 1.00 13.65 C ATOM 641 H VAL A 135 18.170 -8.059 4.188 1.00 0.00 H ATOM 642 N HIS A 136 17.961 -8.963 7.371 1.00 12.50 N ATOM 643 CA HIS A 136 18.393 -9.175 8.752 1.00 17.85 C ATOM 644 C HIS A 136 17.342 -9.909 9.595 1.00 22.76 C ATOM 645 O HIS A 136 16.978 -9.446 10.689 1.00 16.87 O ATOM 646 CB HIS A 136 18.728 -7.832 9.415 1.00 12.16 C ATOM 647 CG HIS A 136 19.965 -7.178 8.877 1.00 18.42 C ATOM 648 ND1 HIS A 136 21.228 -7.705 9.064 1.00 26.03 N ATOM 649 CD2 HIS A 136 20.135 -6.048 8.151 1.00 8.87 C ATOM 650 CE1 HIS A 136 22.121 -6.920 8.483 1.00 28.13 C ATOM 651 NE2 HIS A 136 21.482 -5.901 7.926 1.00 14.48 N ATOM 652 H HIS A 136 18.588 -9.258 6.595 1.00 0.00 H ATOM 653 N ASP A 137 16.860 -11.045 9.104 1.00 20.86 N ATOM 654 CA ASP A 137 15.737 -11.714 9.763 1.00 23.62 C ATOM 655 C ASP A 137 16.129 -12.240 11.148 1.00 21.39 C ATOM 656 O ASP A 137 15.272 -12.716 11.903 1.00 23.12 O ATOM 657 CB ASP A 137 15.151 -12.831 8.872 1.00 34.55 C ATOM 658 CG ASP A 137 16.142 -13.947 8.603 1.00 37.63 C ATOM 659 H ASP A 137 17.282 -11.460 8.249 1.00 0.00 H ATOM 660 N LYS A 138 17.411 -12.136 11.501 1.00 21.14 N ATOM 661 CA LYS A 138 17.859 -12.598 12.814 1.00 29.71 C ATOM 662 C LYS A 138 17.678 -11.547 13.919 1.00 31.40 C ATOM 663 O LYS A 138 17.770 -11.867 15.111 1.00 25.33 O ATOM 664 CB LYS A 138 19.309 -13.102 12.741 1.00 40.35 C ATOM 665 CG LYS A 138 19.447 -14.456 12.033 1.00 44.27 C ATOM 666 CD LYS A 138 20.819 -14.630 11.389 1.00 43.30 C ATOM 667 H LYS A 138 18.097 -11.723 10.837 1.00 0.00 H ATOM 668 N ASP A 139 17.422 -10.297 13.537 1.00 20.98 N ATOM 669 CA ASP A 139 17.193 -9.247 14.530 1.00 19.06 C ATOM 670 C ASP A 139 16.062 -9.602 15.473 1.00 24.31 C ATOM 671 O ASP A 139 15.019 -10.050 15.029 1.00 19.26 O ATOM 672 CB ASP A 139 16.781 -7.930 13.862 1.00 13.10 C ATOM 673 CG ASP A 139 17.939 -7.192 13.235 1.00 16.72 C ATOM 674 OD1 ASP A 139 19.106 -7.562 13.484 1.00 16.25 O ATOM 675 OD2 ASP A 139 17.673 -6.220 12.494 1.00 17.05 O ATOM 676 H ASP A 139 17.385 -10.065 12.524 1.00 0.00 H ATOM 677 N ASN A 140 16.251 -9.346 16.762 1.00 15.17 N ATOM 678 CA ASN A 140 15.176 -9.501 17.741 1.00 20.63 C ATOM 679 C ASN A 140 15.533 -8.746 19.024 1.00 19.53 C ATOM 680 O ASN A 140 16.577 -8.085 19.085 1.00 12.45 O ATOM 681 CB ASN A 140 14.872 -10.978 18.018 1.00 21.83 C ATOM 682 CG ASN A 140 16.048 -11.724 18.614 1.00 23.32 C ATOM 683 OD1 ASN A 140 16.972 -11.131 19.168 1.00 27.68 O ATOM 684 ND2 ASN A 140 16.007 -13.046 18.511 1.00 26.36 N ATOM 685 HD22 ASN A 140 15.205 -13.506 18.034 1.00 0.00 H ATOM 686 HD21 ASN A 140 16.776 -13.623 18.908 1.00 0.00 H ATOM 687 H ASN A 140 17.187 -9.027 17.083 1.00 0.00 H ATOM 688 N VAL A 141 14.696 -8.821 20.050 1.00 16.47 N ATOM 689 CA VAL A 141 14.988 -8.048 21.263 1.00 14.73 C ATOM 690 C VAL A 141 16.249 -8.492 21.974 1.00 14.05 C ATOM 691 O VAL A 141 17.084 -7.652 22.340 1.00 21.59 O ATOM 692 CB VAL A 141 13.796 -8.013 22.215 1.00 24.40 C ATOM 693 CG1 VAL A 141 14.204 -7.458 23.572 1.00 22.43 C ATOM 694 CG2 VAL A 141 12.751 -7.154 21.635 1.00 17.16 C ATOM 695 H VAL A 141 13.846 -9.418 19.996 1.00 0.00 H ATOM 696 N GLU A 142 16.389 -9.808 22.146 1.00 12.16 N ATOM 697 CA GLU A 142 17.559 -10.406 22.775 1.00 14.09 C ATOM 698 C GLU A 142 18.844 -9.879 22.123 1.00 21.92 C ATOM 699 O GLU A 142 19.804 -9.518 22.807 1.00 15.83 O ATOM 700 CB GLU A 142 17.483 -11.956 22.674 1.00 20.59 C ATOM 701 CG GLU A 142 18.629 -12.721 23.337 1.00 40.61 C ATOM 702 CD GLU A 142 18.590 -14.241 23.089 1.00 49.20 C ATOM 703 OE1 GLU A 142 17.686 -14.727 22.364 1.00 48.92 O ATOM 704 OE2 GLU A 142 19.476 -14.946 23.628 1.00 47.08 O ATOM 705 H GLU A 142 15.628 -10.435 21.816 1.00 0.00 H ATOM 706 N GLU A 143 18.851 -9.826 20.794 1.00 17.85 N ATOM 707 CA GLU A 143 20.027 -9.352 20.076 1.00 21.56 C ATOM 708 C GLU A 143 20.234 -7.862 20.320 1.00 30.01 C ATOM 709 O GLU A 143 21.342 -7.416 20.629 1.00 39.28 O ATOM 710 CB GLU A 143 19.893 -9.639 18.577 1.00 19.44 C ATOM 711 H GLU A 143 18.009 -10.126 20.262 1.00 0.00 H ATOM 712 N LEU A 144 19.148 -7.100 20.222 1.00 10.22 N ATOM 713 CA LEU A 144 19.253 -5.631 20.270 1.00 20.08 C ATOM 714 C LEU A 144 19.658 -5.016 21.619 1.00 21.70 C ATOM 715 O LEU A 144 20.338 -3.985 21.667 1.00 17.11 O ATOM 716 CB LEU A 144 17.957 -4.990 19.767 1.00 11.58 C ATOM 717 CG LEU A 144 18.054 -4.545 18.314 1.00 21.07 C ATOM 718 CD1 LEU A 144 18.266 -5.725 17.387 1.00 18.40 C ATOM 719 CD2 LEU A 144 16.843 -3.749 17.925 1.00 34.14 C ATOM 720 H LEU A 144 18.215 -7.546 20.110 1.00 0.00 H ATOM 721 N ILE A 145 19.245 -5.626 22.721 1.00 13.73 N ATOM 722 CA ILE A 145 19.430 -4.957 24.007 1.00 17.71 C ATOM 723 C ILE A 145 20.833 -5.071 24.579 1.00 23.61 C ATOM 724 O ILE A 145 21.124 -4.436 25.599 1.00 18.01 O ATOM 725 CB ILE A 145 18.465 -5.478 25.066 1.00 14.59 C ATOM 726 CG1 ILE A 145 18.772 -6.937 25.396 1.00 16.32 C ATOM 727 CG2 ILE A 145 17.035 -5.323 24.603 1.00 20.11 C ATOM 728 CD1 ILE A 145 17.960 -7.455 26.600 1.00 25.75 C ATOM 729 H ILE A 145 18.798 -6.563 22.671 1.00 0.00 H ATOM 730 N LYS A 146 21.692 -5.878 23.953 1.00 14.55 N ATOM 731 CA LYS A 146 22.955 -6.277 24.601 1.00 26.61 C ATOM 732 C LYS A 146 23.785 -5.105 25.115 1.00 24.81 C ATOM 733 O LYS A 146 24.276 -5.131 26.234 1.00 11.09 O ATOM 734 CB LYS A 146 23.802 -7.160 23.680 1.00 22.40 C ATOM 735 CG LYS A 146 23.309 -8.613 23.554 1.00 21.68 C ATOM 736 CD LYS A 146 24.106 -9.364 22.487 1.00 21.04 C ATOM 737 CE LYS A 146 23.585 -10.785 22.274 1.00 27.93 C ATOM 738 H LYS A 146 21.469 -6.229 23.000 1.00 0.00 H ATOM 739 N MET A 147 23.931 -4.074 24.296 1.00 13.85 N ATOM 740 CA MET A 147 24.718 -2.907 24.672 1.00 11.19 C ATOM 741 C MET A 147 24.097 -2.160 25.850 1.00 20.23 C ATOM 742 O MET A 147 24.803 -1.741 26.782 1.00 12.84 O ATOM 743 CB MET A 147 24.857 -1.979 23.468 1.00 11.31 C ATOM 744 CG MET A 147 25.625 -0.691 23.730 1.00 32.03 C ATOM 745 SD MET A 147 27.390 -0.771 23.324 1.00 34.77 S ATOM 746 CE MET A 147 28.006 -1.466 24.838 1.00 23.57 C ATOM 747 H MET A 147 23.473 -4.098 23.363 1.00 0.00 H ATOM 748 N PHE A 148 22.778 -2.008 25.808 1.00 13.39 N ATOM 749 CA PHE A 148 22.037 -1.345 26.870 1.00 16.71 C ATOM 750 C PHE A 148 22.133 -2.108 28.188 1.00 18.22 C ATOM 751 O PHE A 148 22.385 -1.513 29.221 1.00 19.86 O ATOM 752 CB PHE A 148 20.566 -1.230 26.471 1.00 9.38 C ATOM 753 CG PHE A 148 20.313 -0.294 25.324 1.00 7.13 C ATOM 754 CD1 PHE A 148 20.880 0.965 25.298 1.00 10.19 C ATOM 755 CD2 PHE A 148 19.474 -0.665 24.286 1.00 13.81 C ATOM 756 CE1 PHE A 148 20.623 1.855 24.251 1.00 9.13 C ATOM 757 CE2 PHE A 148 19.217 0.219 23.220 1.00 12.37 C ATOM 758 CZ PHE A 148 19.799 1.476 23.210 1.00 24.48 C ATOM 759 H PHE A 148 22.257 -2.376 24.987 1.00 0.00 H ATOM 760 N ALA A 149 21.913 -3.422 28.138 1.00 14.66 N ATOM 761 CA ALA A 149 21.954 -4.274 29.328 1.00 15.78 C ATOM 762 C ALA A 149 23.317 -4.185 29.986 1.00 24.03 C ATOM 763 O ALA A 149 23.447 -4.209 31.209 1.00 20.53 O ATOM 764 CB ALA A 149 21.629 -5.710 28.970 1.00 22.31 C ATOM 765 H ALA A 149 21.704 -3.859 27.218 1.00 0.00 H ATOM 766 N HIS A 150 24.339 -4.080 29.154 1.00 15.89 N ATOM 767 CA HIS A 150 25.711 -4.011 29.620 1.00 21.48 C ATOM 768 C HIS A 150 25.929 -2.793 30.498 1.00 22.63 C ATOM 769 O HIS A 150 26.713 -2.827 31.447 1.00 23.72 O ATOM 770 CB HIS A 150 26.653 -3.964 28.432 1.00 17.54 C ATOM 771 CG HIS A 150 28.075 -3.706 28.804 1.00 20.28 C ATOM 772 ND1 HIS A 150 28.901 -4.683 29.315 1.00 31.04 N ATOM 773 CD2 HIS A 150 28.833 -2.584 28.710 1.00 16.13 C ATOM 774 CE1 HIS A 150 30.102 -4.172 29.533 1.00 25.31 C ATOM 775 NE2 HIS A 150 30.083 -2.901 29.182 1.00 26.20 N ATOM 776 H HIS A 150 24.153 -4.046 28.131 1.00 0.00 H ATOM 777 N PHE A 151 25.229 -1.709 30.192 1.00 17.54 N ATOM 778 CA PHE A 151 25.346 -0.493 31.001 1.00 24.66 C ATOM 779 C PHE A 151 24.407 -0.510 32.187 1.00 25.56 C ATOM 780 O PHE A 151 24.496 0.345 33.075 1.00 22.86 O ATOM 781 CB PHE A 151 25.047 0.746 30.161 1.00 24.75 C ATOM 782 CG PHE A 151 26.161 1.134 29.251 1.00 22.75 C ATOM 783 CD1 PHE A 151 26.857 2.313 29.456 1.00 35.94 C ATOM 784 CD2 PHE A 151 26.521 0.317 28.196 1.00 27.16 C ATOM 785 CE1 PHE A 151 27.896 2.678 28.608 1.00 43.85 C ATOM 786 CE2 PHE A 151 27.553 0.669 27.349 1.00 31.21 C ATOM 787 CZ PHE A 151 28.242 1.846 27.550 1.00 38.35 C ATOM 788 H PHE A 151 24.591 -1.722 29.371 1.00 0.00 H ATOM 789 N ASP A 152 23.498 -1.479 32.188 1.00 27.14 N ATOM 790 CA ASP A 152 22.523 -1.615 33.259 1.00 22.37 C ATOM 791 C ASP A 152 23.153 -2.466 34.360 1.00 25.82 C ATOM 792 O ASP A 152 22.790 -3.622 34.574 1.00 27.84 O ATOM 793 CB ASP A 152 21.246 -2.250 32.706 1.00 26.12 C ATOM 794 CG ASP A 152 20.151 -2.380 33.743 1.00 26.32 C ATOM 795 OD1 ASP A 152 20.286 -1.835 34.867 1.00 20.41 O ATOM 796 OD2 ASP A 152 19.144 -3.034 33.410 1.00 21.06 O ATOM 797 H ASP A 152 23.483 -2.159 31.401 1.00 0.00 H ATOM 798 N ASN A 153 24.118 -1.871 35.046 1.00 26.06 N ATOM 799 CA ASN A 153 24.913 -2.579 36.036 1.00 40.65 C ATOM 800 C ASN A 153 24.048 -3.229 37.112 1.00 47.96 C ATOM 801 O ASN A 153 24.216 -4.413 37.421 1.00 52.82 O ATOM 802 CB ASN A 153 25.943 -1.630 36.657 1.00 38.82 C ATOM 803 H ASN A 153 24.313 -0.865 34.870 1.00 0.00 H ATOM 804 N ASN A 154 23.100 -2.471 37.653 1.00 45.28 N ATOM 805 CA ASN A 154 22.258 -2.992 38.730 1.00 50.04 C ATOM 806 C ASN A 154 21.124 -3.888 38.221 1.00 43.48 C ATOM 807 O ASN A 154 20.319 -4.383 39.008 1.00 41.11 O ATOM 808 CB ASN A 154 21.730 -1.852 39.613 1.00 48.93 C ATOM 809 H ASN A 154 22.956 -1.500 37.308 1.00 0.00 H ATOM 810 N CYS A 155 21.072 -4.091 36.905 1.00 34.82 N ATOM 811 CA CYS A 155 20.099 -4.998 36.282 1.00 34.04 C ATOM 812 C CYS A 155 18.634 -4.611 36.492 1.00 26.56 C ATOM 813 O CYS A 155 17.775 -5.469 36.674 1.00 25.68 O ATOM 814 CB CYS A 155 20.319 -6.432 36.762 1.00 39.39 C ATOM 815 SG CYS A 155 21.680 -7.265 35.924 1.00 52.34 S ATOM 816 H CYS A 155 21.747 -3.587 36.295 1.00 0.00 H ATOM 817 N THR A 156 18.346 -3.320 36.431 1.00 23.20 N ATOM 818 CA THR A 156 17.000 -2.850 36.722 1.00 27.04 C ATOM 819 C THR A 156 16.061 -3.049 35.529 1.00 25.73 C ATOM 820 O THR A 156 14.850 -3.130 35.697 1.00 22.92 O ATOM 821 CB THR A 156 17.012 -1.388 37.127 1.00 29.81 C ATOM 822 OG1 THR A 156 17.375 -0.603 35.997 1.00 19.01 O ATOM 823 CG2 THR A 156 18.032 -1.172 38.238 1.00 32.55 C ATOM 824 HG1 THR A 156 17.386 0.354 36.251 1.00 0.00 H ATOM 825 H THR A 156 19.087 -2.637 36.173 1.00 0.00 H ATOM 826 N GLY A 157 16.619 -3.099 34.321 1.00 24.77 N ATOM 827 CA GLY A 157 15.812 -3.089 33.108 1.00 22.15 C ATOM 828 C GLY A 157 15.592 -1.688 32.566 1.00 17.98 C ATOM 829 O GLY A 157 14.945 -1.516 31.517 1.00 19.89 O ATOM 830 H GLY A 157 17.655 -3.146 34.242 1.00 0.00 H ATOM 831 N TYR A 158 16.143 -0.686 33.258 1.00 11.80 N ATOM 832 CA TYR A 158 15.988 0.722 32.848 1.00 14.22 C ATOM 833 C TYR A 158 17.326 1.420 32.639 1.00 13.81 C ATOM 834 O TYR A 158 18.332 1.054 33.249 1.00 15.50 O ATOM 835 CB TYR A 158 15.196 1.510 33.908 1.00 18.12 C ATOM 836 CG TYR A 158 13.819 0.958 34.154 1.00 24.28 C ATOM 837 CD1 TYR A 158 12.733 1.364 33.392 1.00 18.50 C ATOM 838 CD2 TYR A 158 13.603 0.025 35.154 1.00 24.33 C ATOM 839 CE1 TYR A 158 11.448 0.828 33.620 1.00 15.48 C ATOM 840 CE2 TYR A 158 12.341 -0.505 35.392 1.00 25.60 C ATOM 841 CZ TYR A 158 11.272 -0.098 34.626 1.00 25.87 C ATOM 842 OH TYR A 158 10.032 -0.642 34.890 1.00 31.22 O ATOM 843 HH TYR A 158 9.365 -0.259 34.266 1.00 0.00 H ATOM 844 H TYR A 158 16.697 -0.906 34.110 1.00 0.00 H ATOM 845 N LEU A 159 17.308 2.440 31.790 1.00 11.45 N ATOM 846 CA LEU A 159 18.387 3.403 31.673 1.00 11.50 C ATOM 847 C LEU A 159 17.726 4.769 31.529 1.00 9.74 C ATOM 848 O LEU A 159 16.591 4.863 31.043 1.00 11.95 O ATOM 849 CB LEU A 159 19.247 3.116 30.453 1.00 11.68 C ATOM 850 CG LEU A 159 20.130 1.878 30.466 1.00 9.59 C ATOM 851 CD1 LEU A 159 20.748 1.712 29.057 1.00 13.08 C ATOM 852 CD2 LEU A 159 21.241 1.940 31.525 1.00 11.82 C ATOM 853 H LEU A 159 16.476 2.555 31.176 1.00 0.00 H ATOM 854 N THR A 160 18.414 5.827 31.940 1.00 12.91 N ATOM 855 CA THR A 160 17.878 7.167 31.727 1.00 12.89 C ATOM 856 C THR A 160 18.046 7.567 30.270 1.00 16.73 C ATOM 857 O THR A 160 18.881 7.001 29.546 1.00 13.30 O ATOM 858 CB THR A 160 18.614 8.195 32.583 1.00 15.05 C ATOM 859 OG1 THR A 160 19.966 8.269 32.126 1.00 11.37 O ATOM 860 CG2 THR A 160 18.579 7.804 34.054 1.00 21.11 C ATOM 861 HG1 THR A 160 20.461 8.932 32.670 1.00 0.00 H ATOM 862 H THR A 160 19.332 5.701 32.412 1.00 0.00 H ATOM 863 N LYS A 161 17.312 8.594 29.865 1.00 13.68 N ATOM 864 CA LYS A 161 17.417 9.084 28.506 1.00 13.78 C ATOM 865 C LYS A 161 18.822 9.561 28.215 1.00 15.00 C ATOM 866 O LYS A 161 19.343 9.345 27.121 1.00 13.85 O ATOM 867 CB LYS A 161 16.408 10.208 28.281 1.00 20.25 C ATOM 868 CG LYS A 161 14.994 9.730 27.975 1.00 15.80 C ATOM 869 CD LYS A 161 14.114 10.916 27.502 1.00 15.76 C ATOM 870 CE LYS A 161 12.712 10.450 27.113 1.00 17.27 C ATOM 871 NZ LYS A 161 11.774 11.607 26.970 1.00 23.88 N ATOM 872 HZ1 LYS A 161 11.714 12.117 27.874 1.00 0.00 H ATOM 873 HZ2 LYS A 161 12.127 12.248 26.231 1.00 0.00 H ATOM 874 HZ3 LYS A 161 10.831 11.257 26.705 1.00 0.00 H ATOM 875 H LYS A 161 16.655 9.052 30.529 1.00 0.00 H ATOM 876 N SER A 162 19.440 10.214 29.197 1.00 15.27 N ATOM 877 CA SER A 162 20.827 10.679 29.041 1.00 20.03 C ATOM 878 C SER A 162 21.810 9.521 28.802 1.00 14.79 C ATOM 879 O SER A 162 22.703 9.605 27.942 1.00 13.39 O ATOM 880 CB SER A 162 21.256 11.499 30.267 1.00 18.45 C ATOM 881 OG SER A 162 22.622 11.850 30.196 1.00 33.67 O ATOM 882 HG SER A 162 23.171 11.027 30.158 1.00 0.00 H ATOM 883 H SER A 162 18.935 10.398 30.087 1.00 0.00 H ATOM 884 N GLN A 163 21.641 8.437 29.558 1.00 12.98 N ATOM 885 CA GLN A 163 22.496 7.260 29.396 1.00 14.36 C ATOM 886 C GLN A 163 22.303 6.665 28.013 1.00 10.61 C ATOM 887 O GLN A 163 23.262 6.266 27.345 1.00 11.58 O ATOM 888 CB GLN A 163 22.154 6.204 30.447 1.00 12.14 C ATOM 889 CG GLN A 163 22.658 6.501 31.854 1.00 16.76 C ATOM 890 CD GLN A 163 22.235 5.433 32.835 1.00 27.09 C ATOM 891 OE1 GLN A 163 21.036 5.247 33.113 1.00 15.96 O ATOM 892 NE2 GLN A 163 23.209 4.697 33.347 1.00 35.84 N ATOM 893 HE22 GLN A 163 24.197 4.888 33.086 1.00 0.00 H ATOM 894 HE21 GLN A 163 22.986 3.927 34.010 1.00 0.00 H ATOM 895 H GLN A 163 20.888 8.427 30.276 1.00 0.00 H ATOM 896 N MET A 164 21.054 6.590 27.581 1.00 10.46 N ATOM 897 CA MET A 164 20.788 6.048 26.257 1.00 9.51 C ATOM 898 C MET A 164 21.268 6.933 25.120 1.00 6.98 C ATOM 899 O MET A 164 21.716 6.444 24.085 1.00 9.67 O ATOM 900 CB MET A 164 19.311 5.725 26.117 1.00 12.45 C ATOM 901 CG MET A 164 18.956 4.524 26.970 1.00 14.85 C ATOM 902 SD MET A 164 17.265 3.997 26.792 1.00 24.00 S ATOM 903 CE MET A 164 17.268 3.226 25.145 1.00 8.32 C ATOM 904 H MET A 164 20.270 6.915 28.182 1.00 0.00 H ATOM 905 N LYS A 165 21.149 8.233 25.292 1.00 10.28 N ATOM 906 CA LYS A 165 21.603 9.162 24.272 1.00 13.65 C ATOM 907 C LYS A 165 23.133 9.050 24.151 1.00 16.82 C ATOM 908 O LYS A 165 23.689 8.996 23.052 1.00 16.53 O ATOM 909 CB LYS A 165 21.198 10.589 24.644 1.00 9.86 C ATOM 910 CG LYS A 165 21.826 11.656 23.736 1.00 22.24 C ATOM 911 CD LYS A 165 21.668 13.056 24.343 1.00 25.18 C ATOM 912 CE LYS A 165 22.298 14.123 23.461 1.00 32.69 C ATOM 913 NZ LYS A 165 22.171 15.476 24.081 1.00 35.90 N ATOM 914 HZ1 LYS A 165 21.165 15.703 24.212 1.00 0.00 H ATOM 915 HZ2 LYS A 165 22.651 15.480 25.004 1.00 0.00 H ATOM 916 HZ3 LYS A 165 22.609 16.184 23.458 1.00 0.00 H ATOM 917 H LYS A 165 20.725 8.599 26.168 1.00 0.00 H ATOM 918 N ASN A 166 23.810 8.975 25.291 1.00 6.52 N ATOM 919 CA ASN A 166 25.269 8.833 25.276 1.00 13.11 C ATOM 920 C ASN A 166 25.727 7.580 24.525 1.00 15.84 C ATOM 921 O ASN A 166 26.677 7.621 23.741 1.00 14.59 O ATOM 922 CB ASN A 166 25.845 8.871 26.695 1.00 21.60 C ATOM 923 CG ASN A 166 27.348 8.636 26.716 1.00 36.23 C ATOM 924 OD1 ASN A 166 27.813 7.537 27.018 1.00 32.37 O ATOM 925 ND2 ASN A 166 28.112 9.672 26.385 1.00 39.15 N ATOM 926 HD22 ASN A 166 27.675 10.582 26.137 1.00 0.00 H ATOM 927 HD21 ASN A 166 29.147 9.572 26.374 1.00 0.00 H ATOM 928 H ASN A 166 23.303 9.017 26.198 1.00 0.00 H ATOM 929 N ILE A 167 25.033 6.473 24.749 1.00 14.25 N ATOM 930 CA ILE A 167 25.363 5.218 24.094 1.00 13.58 C ATOM 931 C ILE A 167 25.135 5.305 22.581 1.00 14.74 C ATOM 932 O ILE A 167 25.945 4.837 21.800 1.00 14.51 O ATOM 933 CB ILE A 167 24.527 4.048 24.687 1.00 14.85 C ATOM 934 CG1 ILE A 167 25.000 3.730 26.108 1.00 20.82 C ATOM 935 CG2 ILE A 167 24.631 2.803 23.798 1.00 10.74 C ATOM 936 CD1 ILE A 167 24.055 2.825 26.924 1.00 12.41 C ATOM 937 H ILE A 167 24.231 6.503 25.411 1.00 0.00 H ATOM 938 N LEU A 168 24.029 5.914 22.173 1.00 13.53 N ATOM 939 CA LEU A 168 23.658 5.950 20.766 1.00 10.99 C ATOM 940 C LEU A 168 24.513 6.922 19.955 1.00 9.87 C ATOM 941 O LEU A 168 24.656 6.770 18.748 1.00 16.08 O ATOM 942 CB LEU A 168 22.195 6.357 20.644 1.00 7.76 C ATOM 943 CG LEU A 168 21.236 5.282 21.129 1.00 13.20 C ATOM 944 CD1 LEU A 168 19.869 5.922 21.403 1.00 13.57 C ATOM 945 CD2 LEU A 168 21.109 4.182 20.056 1.00 8.61 C ATOM 946 H LEU A 168 23.414 6.375 22.873 1.00 0.00 H ATOM 947 N THR A 169 25.065 7.927 20.619 1.00 10.04 N ATOM 948 CA THR A 169 25.746 9.007 19.926 1.00 5.29 C ATOM 949 C THR A 169 27.251 8.858 20.019 1.00 14.54 C ATOM 950 O THR A 169 27.992 9.604 19.390 1.00 13.39 O ATOM 951 CB THR A 169 25.341 10.400 20.478 1.00 12.10 C ATOM 952 OG1 THR A 169 25.735 10.493 21.846 1.00 10.74 O ATOM 953 CG2 THR A 169 23.828 10.638 20.355 1.00 11.45 C ATOM 954 HG1 THR A 169 25.283 9.783 22.367 1.00 0.00 H ATOM 955 H THR A 169 25.010 7.943 21.657 1.00 0.00 H ATOM 956 N THR A 170 27.718 7.918 20.830 1.00 16.35 N ATOM 957 CA THR A 170 29.161 7.848 21.091 1.00 17.05 C ATOM 958 C THR A 170 29.844 6.708 20.334 1.00 18.67 C ATOM 959 O THR A 170 31.000 6.824 19.949 1.00 18.86 O ATOM 960 CB THR A 170 29.458 7.786 22.589 1.00 20.31 C ATOM 961 OG1 THR A 170 28.885 8.936 23.212 1.00 19.96 O ATOM 962 CG2 THR A 170 30.961 7.760 22.879 1.00 28.65 C ATOM 963 HG1 THR A 170 27.907 8.939 23.061 1.00 0.00 H ATOM 964 H THR A 170 27.069 7.238 21.276 1.00 0.00 H ATOM 965 N TRP A 171 29.121 5.619 20.091 1.00 10.65 N ATOM 966 CA TRP A 171 29.732 4.419 19.531 1.00 8.65 C ATOM 967 C TRP A 171 29.019 3.951 18.258 1.00 7.93 C ATOM 968 O TRP A 171 27.908 4.417 17.969 1.00 15.51 O ATOM 969 CB TRP A 171 29.664 3.304 20.578 1.00 15.96 C ATOM 970 CG TRP A 171 30.145 3.732 21.937 1.00 23.25 C ATOM 971 CD1 TRP A 171 29.378 4.111 23.012 1.00 23.36 C ATOM 972 CD2 TRP A 171 31.512 3.812 22.371 1.00 17.00 C ATOM 973 NE1 TRP A 171 30.196 4.425 24.083 1.00 25.76 N ATOM 974 CE2 TRP A 171 31.505 4.249 23.715 1.00 20.03 C ATOM 975 CE3 TRP A 171 32.737 3.565 21.749 1.00 19.99 C ATOM 976 CZ2 TRP A 171 32.685 4.437 24.451 1.00 25.10 C ATOM 977 CZ3 TRP A 171 33.905 3.754 22.479 1.00 29.54 C ATOM 978 CH2 TRP A 171 33.870 4.184 23.815 1.00 32.21 C ATOM 979 HE1 TRP A 171 29.870 4.744 25.018 1.00 0.00 H ATOM 980 H TRP A 171 28.103 5.623 20.304 1.00 0.00 H ATOM 981 N GLY A 172 29.644 3.003 17.549 1.00 12.75 N ATOM 982 CA GLY A 172 29.037 2.334 16.399 1.00 17.46 C ATOM 983 C GLY A 172 28.714 3.255 15.232 1.00 13.40 C ATOM 984 O GLY A 172 29.523 4.143 14.892 1.00 16.63 O ATOM 985 H GLY A 172 30.607 2.729 17.829 1.00 0.00 H ATOM 986 N ASP A 173 27.548 3.057 14.609 1.00 16.24 N ATOM 987 CA ASP A 173 27.074 3.981 13.581 1.00 16.56 C ATOM 988 C ASP A 173 26.387 5.158 14.258 1.00 10.16 C ATOM 989 O ASP A 173 25.194 5.372 14.084 1.00 12.83 O ATOM 990 CB ASP A 173 26.090 3.285 12.642 1.00 11.18 C ATOM 991 CG ASP A 173 26.745 2.245 11.748 1.00 19.16 C ATOM 992 OD1 ASP A 173 27.988 2.230 11.632 1.00 13.49 O ATOM 993 OD2 ASP A 173 25.994 1.424 11.163 1.00 11.81 O ATOM 994 H ASP A 173 26.968 2.231 14.860 1.00 0.00 H ATOM 995 N ALA A 174 27.164 5.916 15.023 1.00 11.36 N ATOM 996 CA ALA A 174 26.631 6.923 15.968 1.00 14.74 C ATOM 997 C ALA A 174 25.554 7.846 15.379 1.00 18.77 C ATOM 998 O ALA A 174 25.686 8.358 14.263 1.00 10.67 O ATOM 999 CB ALA A 174 27.767 7.759 16.573 1.00 12.35 C ATOM 1000 H ALA A 174 28.195 5.797 14.955 1.00 0.00 H ATOM 1001 N LEU A 175 24.484 8.049 16.137 1.00 16.97 N ATOM 1002 CA LEU A 175 23.452 9.003 15.762 1.00 12.48 C ATOM 1003 C LEU A 175 23.939 10.403 16.134 1.00 18.80 C ATOM 1004 O LEU A 175 24.811 10.545 17.010 1.00 14.84 O ATOM 1005 CB LEU A 175 22.172 8.691 16.534 1.00 18.36 C ATOM 1006 CG LEU A 175 21.619 7.278 16.387 1.00 19.99 C ATOM 1007 CD1 LEU A 175 20.384 7.084 17.284 1.00 13.78 C ATOM 1008 CD2 LEU A 175 21.246 7.011 14.935 1.00 16.66 C ATOM 1009 H LEU A 175 24.381 7.512 17.022 1.00 0.00 H ATOM 1010 N THR A 176 23.396 11.438 15.489 1.00 13.49 N ATOM 1011 CA THR A 176 23.594 12.815 15.986 1.00 14.55 C ATOM 1012 C THR A 176 22.805 12.942 17.285 1.00 15.66 C ATOM 1013 O THR A 176 21.917 12.118 17.546 1.00 10.99 O ATOM 1014 CB THR A 176 23.068 13.876 15.003 1.00 19.84 C ATOM 1015 OG1 THR A 176 21.644 13.807 14.973 1.00 17.11 O ATOM 1016 CG2 THR A 176 23.619 13.652 13.597 1.00 23.15 C ATOM 1017 HG1 THR A 176 21.295 14.486 14.343 1.00 0.00 H ATOM 1018 H THR A 176 22.830 11.274 14.632 1.00 0.00 H ATOM 1019 N ASP A 177 23.122 13.955 18.084 1.00 13.22 N ATOM 1020 CA ASP A 177 22.434 14.176 19.351 1.00 19.89 C ATOM 1021 C ASP A 177 20.929 14.313 19.145 1.00 22.59 C ATOM 1022 O ASP A 177 20.136 13.727 19.882 1.00 20.57 O ATOM 1023 CB ASP A 177 22.984 15.421 20.050 1.00 24.08 C ATOM 1024 CG ASP A 177 24.377 15.207 20.609 1.00 37.24 C ATOM 1025 OD1 ASP A 177 24.752 14.039 20.844 1.00 37.60 O ATOM 1026 OD2 ASP A 177 25.097 16.207 20.813 1.00 42.04 O ATOM 1027 H ASP A 177 23.880 14.607 17.799 1.00 0.00 H ATOM 1028 N GLN A 178 20.544 15.090 18.138 1.00 18.40 N ATOM 1029 CA GLN A 178 19.134 15.306 17.833 1.00 18.06 C ATOM 1030 C GLN A 178 18.449 14.001 17.442 1.00 15.75 C ATOM 1031 O GLN A 178 17.348 13.704 17.906 1.00 20.10 O ATOM 1032 CB GLN A 178 18.980 16.337 16.713 1.00 15.78 C ATOM 1033 CG GLN A 178 19.395 17.746 17.105 1.00 45.87 C ATOM 1034 CD GLN A 178 18.620 18.271 18.297 1.00 65.98 C ATOM 1035 OE1 GLN A 178 17.407 18.088 18.393 1.00 70.01 O ATOM 1036 NE2 GLN A 178 19.320 18.928 19.215 1.00 73.77 N ATOM 1037 HE22 GLN A 178 20.344 19.059 19.092 1.00 0.00 H ATOM 1038 HE21 GLN A 178 18.844 19.311 20.056 1.00 0.00 H ATOM 1039 H GLN A 178 21.266 15.556 17.553 1.00 0.00 H ATOM 1040 N GLU A 179 19.106 13.226 16.586 1.00 15.34 N ATOM 1041 CA GLU A 179 18.562 11.952 16.132 1.00 11.84 C ATOM 1042 C GLU A 179 18.231 11.042 17.311 1.00 12.40 C ATOM 1043 O GLU A 179 17.183 10.398 17.335 1.00 14.30 O ATOM 1044 CB GLU A 179 19.544 11.254 15.189 1.00 9.77 C ATOM 1045 CG GLU A 179 19.471 11.737 13.749 1.00 22.43 C ATOM 1046 CD GLU A 179 20.644 11.261 12.915 1.00 26.47 C ATOM 1047 OE1 GLU A 179 21.533 10.581 13.469 1.00 18.82 O ATOM 1048 OE2 GLU A 179 20.677 11.568 11.705 1.00 26.91 O ATOM 1049 H GLU A 179 20.033 13.536 16.230 1.00 0.00 H ATOM 1050 N ALA A 180 19.132 10.996 18.287 1.00 10.54 N ATOM 1051 CA ALA A 180 18.936 10.164 19.477 1.00 12.47 C ATOM 1052 C ALA A 180 17.814 10.717 20.347 1.00 14.59 C ATOM 1053 O ALA A 180 16.983 9.960 20.877 1.00 9.09 O ATOM 1054 CB ALA A 180 20.215 10.022 20.269 1.00 12.78 C ATOM 1055 H ALA A 180 19.998 11.565 18.204 1.00 0.00 H ATOM 1056 N ILE A 181 17.793 12.041 20.494 1.00 16.49 N ATOM 1057 CA ILE A 181 16.787 12.724 21.307 1.00 14.30 C ATOM 1058 C ILE A 181 15.396 12.507 20.734 1.00 12.92 C ATOM 1059 O ILE A 181 14.442 12.205 21.471 1.00 13.11 O ATOM 1060 CB ILE A 181 17.088 14.241 21.370 1.00 15.63 C ATOM 1061 CG1 ILE A 181 18.208 14.500 22.375 1.00 20.09 C ATOM 1062 CG2 ILE A 181 15.847 15.057 21.732 1.00 13.07 C ATOM 1063 CD1 ILE A 181 18.832 15.864 22.226 1.00 20.68 C ATOM 1064 H ILE A 181 18.519 12.610 20.013 1.00 0.00 H ATOM 1065 N ASP A 182 15.266 12.693 19.421 1.00 9.62 N ATOM 1066 CA ASP A 182 13.985 12.467 18.764 1.00 9.63 C ATOM 1067 C ASP A 182 13.513 11.050 18.988 1.00 8.91 C ATOM 1068 O ASP A 182 12.336 10.813 19.258 1.00 9.51 O ATOM 1069 CB ASP A 182 14.109 12.736 17.259 1.00 10.91 C ATOM 1070 CG ASP A 182 14.267 14.211 16.940 1.00 16.77 C ATOM 1071 OD1 ASP A 182 14.005 15.069 17.826 1.00 15.82 O ATOM 1072 OD2 ASP A 182 14.651 14.517 15.797 1.00 20.02 O ATOM 1073 H ASP A 182 16.086 13.002 18.860 1.00 0.00 H ATOM 1074 N ALA A 183 14.434 10.096 18.887 1.00 12.15 N ATOM 1075 CA ALA A 183 14.047 8.681 18.965 1.00 12.70 C ATOM 1076 C ALA A 183 13.585 8.325 20.369 1.00 8.80 C ATOM 1077 O ALA A 183 12.571 7.620 20.572 1.00 14.77 O ATOM 1078 CB ALA A 183 15.189 7.775 18.525 1.00 12.01 C ATOM 1079 H ALA A 183 15.433 10.353 18.752 1.00 0.00 H ATOM 1080 N LEU A 184 14.321 8.815 21.357 1.00 8.28 N ATOM 1081 CA LEU A 184 13.979 8.545 22.752 1.00 10.67 C ATOM 1082 C LEU A 184 12.703 9.267 23.162 1.00 14.04 C ATOM 1083 O LEU A 184 11.851 8.690 23.842 1.00 10.75 O ATOM 1084 CB LEU A 184 15.139 8.904 23.672 1.00 10.47 C ATOM 1085 CG LEU A 184 16.346 8.000 23.443 1.00 7.55 C ATOM 1086 CD1 LEU A 184 17.620 8.634 24.039 1.00 9.63 C ATOM 1087 CD2 LEU A 184 16.098 6.619 24.059 1.00 10.80 C ATOM 1088 H LEU A 184 15.153 9.399 21.136 1.00 0.00 H ATOM 1089 N ASN A 185 12.552 10.518 22.742 1.00 8.94 N ATOM 1090 CA ASN A 185 11.308 11.245 22.997 1.00 11.42 C ATOM 1091 C ASN A 185 10.096 10.630 22.306 1.00 19.71 C ATOM 1092 O ASN A 185 8.995 10.670 22.847 1.00 17.15 O ATOM 1093 CB ASN A 185 11.436 12.727 22.617 1.00 20.32 C ATOM 1094 CG ASN A 185 12.283 13.507 23.599 1.00 22.15 C ATOM 1095 OD1 ASN A 185 12.552 13.046 24.713 1.00 21.94 O ATOM 1096 ND2 ASN A 185 12.723 14.695 23.185 1.00 19.53 N ATOM 1097 HD22 ASN A 185 12.470 15.042 22.238 1.00 0.00 H ATOM 1098 HD21 ASN A 185 13.319 15.275 23.809 1.00 0.00 H ATOM 1099 H ASN A 185 13.325 10.985 22.227 1.00 0.00 H ATOM 1100 N ALA A 186 10.295 10.072 21.108 1.00 9.08 N ATOM 1101 CA ALA A 186 9.205 9.425 20.380 1.00 17.49 C ATOM 1102 C ALA A 186 8.667 8.225 21.151 1.00 20.55 C ATOM 1103 O ALA A 186 7.480 7.916 21.085 1.00 13.98 O ATOM 1104 CB ALA A 186 9.631 9.015 18.977 1.00 23.49 C ATOM 1105 H ALA A 186 11.245 10.099 20.685 1.00 0.00 H ATOM 1106 N PHE A 187 9.547 7.563 21.890 1.00 13.04 N ATOM 1107 CA PHE A 187 9.168 6.400 22.668 1.00 16.58 C ATOM 1108 C PHE A 187 8.479 6.787 23.966 1.00 10.40 C ATOM 1109 O PHE A 187 7.471 6.196 24.345 1.00 16.20 O ATOM 1110 CB PHE A 187 10.368 5.495 22.969 1.00 13.91 C ATOM 1111 CG PHE A 187 10.017 4.323 23.862 1.00 16.26 C ATOM 1112 CD1 PHE A 187 9.200 3.306 23.395 1.00 11.66 C ATOM 1113 CD2 PHE A 187 10.508 4.241 25.167 1.00 12.17 C ATOM 1114 CE1 PHE A 187 8.862 2.223 24.199 1.00 14.60 C ATOM 1115 CE2 PHE A 187 10.178 3.165 25.989 1.00 9.13 C ATOM 1116 CZ PHE A 187 9.350 2.143 25.501 1.00 8.77 C ATOM 1117 H PHE A 187 10.535 7.887 21.912 1.00 0.00 H ATOM 1118 N SER A 188 9.019 7.769 24.674 1.00 11.63 N ATOM 1119 CA SER A 188 8.503 8.079 26.013 1.00 14.24 C ATOM 1120 C SER A 188 8.743 9.520 26.439 1.00 10.06 C ATOM 1121 O SER A 188 9.736 10.119 26.062 1.00 14.10 O ATOM 1122 CB SER A 188 9.111 7.137 27.056 1.00 17.05 C ATOM 1123 OG SER A 188 8.531 7.365 28.336 1.00 15.66 O ATOM 1124 HG SER A 188 8.936 6.748 28.995 1.00 0.00 H ATOM 1125 H SER A 188 9.809 8.320 24.281 1.00 0.00 H ATOM 1126 N SER A 189 7.829 10.057 27.245 1.00 15.69 N ATOM 1127 CA SER A 189 7.996 11.371 27.843 1.00 17.44 C ATOM 1128 C SER A 189 8.679 11.246 29.212 1.00 21.16 C ATOM 1129 O SER A 189 9.012 12.266 29.838 1.00 21.50 O ATOM 1130 CB SER A 189 6.635 12.055 28.014 1.00 17.53 C ATOM 1131 OG SER A 189 5.817 11.337 28.922 1.00 22.31 O ATOM 1132 HG SER A 189 5.671 10.420 28.579 1.00 0.00 H ATOM 1133 H SER A 189 6.965 9.517 27.454 1.00 0.00 H ATOM 1134 N GLU A 190 8.891 10.008 29.672 1.00 18.14 N ATOM 1135 CA GLU A 190 9.506 9.757 30.984 1.00 13.75 C ATOM 1136 C GLU A 190 11.016 9.682 30.899 1.00 14.42 C ATOM 1137 O GLU A 190 11.560 9.348 29.855 1.00 16.22 O ATOM 1138 CB GLU A 190 8.943 8.470 31.588 1.00 21.65 C ATOM 1139 CG GLU A 190 7.485 8.585 31.927 1.00 21.16 C ATOM 1140 CD GLU A 190 6.862 7.265 32.301 1.00 18.78 C ATOM 1141 OE1 GLU A 190 7.592 6.261 32.446 1.00 25.93 O ATOM 1142 OE2 GLU A 190 5.635 7.245 32.482 1.00 19.95 O ATOM 1143 H GLU A 190 8.612 9.197 29.083 1.00 0.00 H ATOM 1144 N ASP A 191 11.702 9.982 32.000 1.00 14.61 N ATOM 1145 CA ASP A 191 13.157 10.015 31.964 1.00 22.77 C ATOM 1146 C ASP A 191 13.792 8.613 32.009 1.00 16.00 C ATOM 1147 O ASP A 191 14.859 8.382 31.423 1.00 19.22 O ATOM 1148 CB ASP A 191 13.707 10.889 33.097 1.00 16.44 C ATOM 1149 CG ASP A 191 15.221 11.013 33.044 1.00 29.86 C ATOM 1150 OD1 ASP A 191 15.737 11.525 32.020 1.00 24.24 O ATOM 1151 OD2 ASP A 191 15.887 10.582 34.013 1.00 22.80 O ATOM 1152 H ASP A 191 11.199 10.193 32.885 1.00 0.00 H ATOM 1153 N ASN A 192 13.138 7.683 32.704 1.00 14.30 N ATOM 1154 CA ASN A 192 13.636 6.312 32.814 1.00 15.90 C ATOM 1155 C ASN A 192 13.012 5.409 31.765 1.00 16.53 C ATOM 1156 O ASN A 192 11.790 5.294 31.676 1.00 14.26 O ATOM 1157 CB ASN A 192 13.385 5.752 34.216 1.00 30.85 C ATOM 1158 CG ASN A 192 14.360 6.286 35.229 1.00 35.53 C ATOM 1159 OD1 ASN A 192 15.569 6.345 34.979 1.00 33.16 O ATOM 1160 ND2 ASN A 192 13.843 6.699 36.378 1.00 38.28 N ATOM 1161 HD22 ASN A 192 12.818 6.629 36.542 1.00 0.00 H ATOM 1162 HD21 ASN A 192 14.462 7.093 37.115 1.00 0.00 H ATOM 1163 H ASN A 192 12.250 7.939 33.181 1.00 0.00 H ATOM 1164 N ILE A 193 13.867 4.771 30.976 1.00 12.73 N ATOM 1165 CA ILE A 193 13.441 4.044 29.789 1.00 15.06 C ATOM 1166 C ILE A 193 13.623 2.547 29.986 1.00 13.97 C ATOM 1167 O ILE A 193 14.727 2.078 30.275 1.00 12.95 O ATOM 1168 CB ILE A 193 14.260 4.443 28.544 1.00 10.84 C ATOM 1169 CG1 ILE A 193 14.131 5.934 28.254 1.00 18.93 C ATOM 1170 CG2 ILE A 193 13.819 3.628 27.334 1.00 17.04 C ATOM 1171 CD1 ILE A 193 12.751 6.349 27.809 1.00 19.40 C ATOM 1172 H ILE A 193 14.879 4.791 31.214 1.00 0.00 H ATOM 1173 N ASP A 194 12.553 1.795 29.797 1.00 11.91 N ATOM 1174 CA ASP A 194 12.555 0.344 29.658 1.00 10.53 C ATOM 1175 C ASP A 194 13.130 -0.004 28.262 1.00 14.39 C ATOM 1176 O ASP A 194 12.461 0.067 27.259 1.00 9.38 O ATOM 1177 CB ASP A 194 11.165 -0.229 29.900 1.00 8.43 C ATOM 1178 CG ASP A 194 11.096 -1.767 29.743 1.00 16.81 C ATOM 1179 OD1 ASP A 194 11.815 -2.380 28.959 1.00 17.25 O ATOM 1180 OD2 ASP A 194 10.281 -2.361 30.408 1.00 16.18 O ATOM 1181 H ASP A 194 11.634 2.278 29.743 1.00 0.00 H ATOM 1182 N TYR A 195 14.417 -0.315 28.251 1.00 13.12 N ATOM 1183 CA TYR A 195 15.146 -0.472 27.013 1.00 7.49 C ATOM 1184 C TYR A 195 14.730 -1.704 26.258 1.00 9.08 C ATOM 1185 O TYR A 195 14.896 -1.795 25.095 1.00 12.13 O ATOM 1186 CB TYR A 195 16.632 -0.376 27.206 1.00 7.63 C ATOM 1187 CG TYR A 195 17.230 -1.280 28.233 1.00 14.25 C ATOM 1188 CD1 TYR A 195 17.408 -2.612 27.972 1.00 16.35 C ATOM 1189 CD2 TYR A 195 17.652 -0.789 29.461 1.00 16.31 C ATOM 1190 CE1 TYR A 195 17.984 -3.443 28.884 1.00 19.49 C ATOM 1191 CE2 TYR A 195 18.229 -1.615 30.387 1.00 15.93 C ATOM 1192 CZ TYR A 195 18.386 -2.952 30.088 1.00 14.35 C ATOM 1193 OH TYR A 195 18.942 -3.784 30.945 1.00 12.59 O ATOM 1194 HH TYR A 195 18.966 -4.693 30.553 1.00 0.00 H ATOM 1195 H TYR A 195 14.915 -0.449 29.154 1.00 0.00 H ATOM 1196 N LYS A 196 14.161 -2.638 26.976 1.00 13.21 N ATOM 1197 CA LYS A 196 13.616 -3.795 26.263 1.00 9.19 C ATOM 1198 C LYS A 196 12.382 -3.383 25.467 1.00 13.75 C ATOM 1199 O LYS A 196 12.254 -3.707 24.306 1.00 12.90 O ATOM 1200 CB LYS A 196 13.299 -4.949 27.222 1.00 16.86 C ATOM 1201 H LYS A 196 14.098 -2.562 28.011 1.00 0.00 H ATOM 1202 N LEU A 197 11.476 -2.633 26.086 1.00 13.32 N ATOM 1203 CA LEU A 197 10.333 -2.128 25.340 1.00 8.57 C ATOM 1204 C LEU A 197 10.728 -1.100 24.285 1.00 8.66 C ATOM 1205 O LEU A 197 10.107 -1.047 23.222 1.00 12.33 O ATOM 1206 CB LEU A 197 9.277 -1.552 26.296 1.00 9.51 C ATOM 1207 CG LEU A 197 8.556 -2.602 27.140 1.00 13.69 C ATOM 1208 CD1 LEU A 197 7.361 -1.966 27.871 1.00 20.93 C ATOM 1209 CD2 LEU A 197 8.094 -3.777 26.258 1.00 16.38 C ATOM 1210 H LEU A 197 11.583 -2.409 27.096 1.00 0.00 H ATOM 1211 N PHE A 198 11.767 -0.311 24.550 1.00 8.91 N ATOM 1212 CA PHE A 198 12.268 0.623 23.530 1.00 7.92 C ATOM 1213 C PHE A 198 12.739 -0.154 22.308 1.00 12.47 C ATOM 1214 O PHE A 198 12.444 0.211 21.157 1.00 9.53 O ATOM 1215 CB PHE A 198 13.367 1.534 24.106 1.00 7.22 C ATOM 1216 CG PHE A 198 14.082 2.372 23.060 1.00 7.21 C ATOM 1217 CD1 PHE A 198 13.535 3.575 22.621 1.00 9.51 C ATOM 1218 CD2 PHE A 198 15.299 1.961 22.530 1.00 12.93 C ATOM 1219 CE1 PHE A 198 14.188 4.353 21.668 1.00 12.96 C ATOM 1220 CE2 PHE A 198 15.958 2.739 21.576 1.00 12.86 C ATOM 1221 CZ PHE A 198 15.393 3.934 21.136 1.00 13.93 C ATOM 1222 H PHE A 198 12.226 -0.355 25.482 1.00 0.00 H ATOM 1223 N CYS A 199 13.447 -1.252 22.545 1.00 15.56 N ATOM 1224 CA CYS A 199 13.881 -2.120 21.453 1.00 8.50 C ATOM 1225 C CYS A 199 12.720 -2.784 20.706 1.00 15.86 C ATOM 1226 O CYS A 199 12.716 -2.817 19.464 1.00 9.52 O ATOM 1227 CB CYS A 199 14.910 -3.142 21.943 1.00 14.79 C ATOM 1228 SG CYS A 199 16.502 -2.340 22.270 1.00 17.19 S ATOM 1229 H CYS A 199 13.697 -1.498 23.524 1.00 0.00 H ATOM 1230 N GLU A 200 11.727 -3.284 21.436 1.00 9.98 N ATOM 1231 CA GLU A 200 10.543 -3.839 20.762 1.00 14.77 C ATOM 1232 C GLU A 200 9.926 -2.812 19.823 1.00 9.80 C ATOM 1233 O GLU A 200 9.510 -3.128 18.713 1.00 10.90 O ATOM 1234 CB GLU A 200 9.498 -4.324 21.770 1.00 10.17 C ATOM 1235 CG GLU A 200 9.828 -5.676 22.388 1.00 16.13 C ATOM 1236 CD GLU A 200 8.722 -6.254 23.275 1.00 17.11 C ATOM 1237 OE1 GLU A 200 7.557 -5.840 23.142 1.00 17.41 O ATOM 1238 OE2 GLU A 200 9.025 -7.131 24.117 1.00 26.00 O ATOM 1239 H GLU A 200 11.787 -3.283 22.474 1.00 0.00 H ATOM 1240 N ASP A 201 9.871 -1.574 20.293 1.00 13.77 N ATOM 1241 CA ASP A 201 9.236 -0.490 19.554 1.00 12.42 C ATOM 1242 C ASP A 201 9.974 -0.101 18.268 1.00 16.98 C ATOM 1243 O ASP A 201 9.337 0.129 17.240 1.00 14.91 O ATOM 1244 CB ASP A 201 9.076 0.728 20.462 1.00 10.91 C ATOM 1245 CG ASP A 201 8.181 1.788 19.868 1.00 19.15 C ATOM 1246 OD1 ASP A 201 6.947 1.574 19.807 1.00 14.94 O ATOM 1247 OD2 ASP A 201 8.697 2.864 19.493 1.00 23.32 O ATOM 1248 H ASP A 201 10.295 -1.369 21.220 1.00 0.00 H ATOM 1249 N ILE A 202 11.308 -0.038 18.301 1.00 17.43 N ATOM 1250 CA ILE A 202 12.049 0.316 17.088 1.00 16.20 C ATOM 1251 C ILE A 202 12.062 -0.809 16.077 1.00 16.19 C ATOM 1252 O ILE A 202 12.238 -0.573 14.872 1.00 15.98 O ATOM 1253 CB ILE A 202 13.479 0.797 17.371 1.00 15.89 C ATOM 1254 CG1 ILE A 202 14.339 -0.347 17.902 1.00 6.31 C ATOM 1255 CG2 ILE A 202 13.452 1.978 18.357 1.00 14.78 C ATOM 1256 CD1 ILE A 202 15.789 0.025 18.166 1.00 12.05 C ATOM 1257 H ILE A 202 11.818 -0.239 19.184 1.00 0.00 H ATOM 1258 N LEU A 203 11.877 -2.035 16.557 1.00 16.05 N ATOM 1259 CA LEU A 203 11.870 -3.205 15.687 1.00 11.72 C ATOM 1260 C LEU A 203 10.602 -3.256 14.841 1.00 23.43 C ATOM 1261 O LEU A 203 10.547 -3.958 13.831 1.00 24.26 O ATOM 1262 CB LEU A 203 12.004 -4.486 16.512 1.00 20.29 C ATOM 1263 CG LEU A 203 13.397 -4.794 17.065 1.00 29.84 C ATOM 1264 CD1 LEU A 203 13.384 -6.086 17.867 1.00 38.30 C ATOM 1265 CD2 LEU A 203 14.419 -4.866 15.940 1.00 46.69 C ATOM 1266 H LEU A 203 11.734 -2.163 17.579 1.00 0.00 H ATOM 1267 N GLN A 204 9.586 -2.510 15.260 1.00 25.14 N ATOM 1268 CA GLN A 204 8.318 -2.469 14.542 1.00 33.39 C ATOM 1269 C GLN A 204 8.464 -1.752 13.204 1.00 38.05 C ATOM 1270 O GLN A 204 9.158 -0.740 13.104 1.00 35.44 O ATOM 1271 CB GLN A 204 7.244 -1.785 15.390 1.00 30.23 C ATOM 1272 CG GLN A 204 6.851 -2.561 16.637 1.00 24.85 C ATOM 1273 CD GLN A 204 6.907 -4.062 16.432 1.00 24.83 C ATOM 1274 OE1 GLN A 204 6.170 -4.616 15.617 1.00 34.97 O ATOM 1275 NE2 GLN A 204 7.785 -4.728 17.173 1.00 24.35 N ATOM 1276 OXT GLN A 204 7.834 -2.315 12.208 1.00 34.41 O ATOM 1277 HE22 GLN A 204 8.388 -4.218 17.850 1.00 0.00 H ATOM 1278 HE21 GLN A 204 7.870 -5.760 17.077 1.00 0.00 H ATOM 1279 H GLN A 204 9.698 -1.940 16.123 1.00 0.00 H TER 1280 GLN A 204 HETATM 1281 O HOH 1 9.317 14.237 25.781 1.00 19.39 O HETATM 1282 O HOH 2 15.443 -6.952 10.752 1.00 21.15 O HETATM 1283 O HOH 3 18.275 11.590 31.473 1.00 15.54 O HETATM 1284 O HOH 4 15.583 12.796 14.094 1.00 26.01 O HETATM 1285 O HOH 5 25.630 -0.786 -11.630 1.00 26.00 O HETATM 1286 O HOH 6 24.475 -4.613 10.768 1.00 10.59 O HETATM 1287 O HOH 7 13.655 -2.911 38.172 1.00 21.69 O HETATM 1288 O HOH 8 23.581 1.248 12.241 1.00 11.22 O HETATM 1289 O HOH 9 11.695 5.800 18.955 1.00 17.01 O HETATM 1290 O HOH 10 22.228 2.627 10.348 1.00 15.13 O HETATM 1291 O HOH 11 1.405 -3.989 -6.333 1.00 22.08 O HETATM 1292 O HOH 12 33.986 5.808 19.535 1.00 29.98 O HETATM 1293 O HOH 13 20.676 15.544 13.371 1.00 21.25 O HETATM 1294 O HOH 14 12.479 6.932 -2.789 1.00 23.52 O HETATM 1295 O HOH 15 27.474 7.399 12.057 1.00 30.63 O HETATM 1296 O HOH 16 14.165 -12.024 21.669 1.00 18.23 O HETATM 1297 O HOH 17 28.734 1.042 -9.499 1.00 18.23 O HETATM 1298 O HOH 18 11.145 3.477 20.143 1.00 17.01 O HETATM 1299 O HOH 19 17.385 8.970 -15.811 1.00 47.31 O HETATM 1300 O HOH 20 6.858 3.978 -10.353 1.00 14.17 O HETATM 1301 O HOH 21 30.703 -5.057 5.406 1.00 19.28 O HETATM 1302 O HOH 22 10.115 2.871 7.459 1.00 18.81 O HETATM 1303 O HOH 23 19.311 -1.327 -13.766 1.00 26.52 O HETATM 1304 O HOH 24 17.386 1.852 36.459 1.00 25.65 O HETATM 1305 O HOH 25 16.222 -0.221 -14.834 1.00 32.89 O HETATM 1306 O HOH 26 19.931 4.390 35.209 1.00 16.42 O HETATM 1307 O HOH 27 11.811 13.115 29.043 1.00 19.76 O HETATM 1308 O HOH 28 31.051 -0.444 9.658 1.00 21.20 O HETATM 1309 O HOH 29 13.885 -3.433 30.054 1.00 14.55 O HETATM 1310 O HOH 30 31.163 -7.426 -0.290 1.00 20.59 O HETATM 1311 O HOH 31 22.493 17.164 16.538 1.00 22.24 O HETATM 1312 O HOH 32 25.528 15.409 17.207 1.00 25.46 O HETATM 1313 O HOH 33 17.464 4.050 35.331 1.00 30.33 O HETATM 1314 O HOH 34 20.103 -10.161 25.031 1.00 18.09 O HETATM 1315 O HOH 35 8.016 -0.813 31.307 1.00 15.74 O HETATM 1316 O HOH 36 25.879 -7.921 -11.065 1.00 18.93 O HETATM 1317 O HOH 37 15.378 10.153 15.256 1.00 26.77 O HETATM 1318 O HOH 38 9.949 2.840 29.561 1.00 20.27 O HETATM 1319 O HOH 39 21.331 9.508 10.086 1.00 25.85 O HETATM 1320 O HOH 40 21.609 -8.575 27.112 1.00 26.00 O HETATM 1321 O HOH 41 18.850 -6.471 30.870 1.00 26.07 O HETATM 1322 O HOH 42 29.085 -7.173 29.582 1.00 37.74 O HETATM 1323 O HOH 43 7.357 -8.625 25.219 1.00 27.82 O HETATM 1324 O HOH 44 23.704 10.216 11.788 1.00 22.70 O HETATM 1325 O HOH 45 20.315 0.993 35.365 1.00 19.31 O HETATM 1326 O HOH 46 22.904 -6.158 -12.847 1.00 25.10 O HETATM 1327 O HOH 47 5.052 8.729 27.426 1.00 33.67 O HETATM 1328 O HOH 48 18.567 -12.494 7.418 1.00 39.94 O HETATM 1329 O HOH 49 31.988 3.770 9.036 1.00 40.55 O HETATM 1330 O HOH 50 22.763 1.895 35.020 1.00 18.91 O HETATM 1331 O HOH 51 14.332 13.443 30.914 1.00 20.25 O HETATM 1332 O HOH 52 16.326 -4.873 8.446 1.00 21.61 O HETATM 1333 O HOH 53 16.843 19.740 21.332 1.00 31.03 O HETATM 1334 O HOH 54 15.147 -14.598 21.661 1.00 28.97 O HETATM 1335 O HOH 55 9.765 5.181 29.902 1.00 24.16 O HETATM 1336 O HOH 56 10.011 -4.978 30.108 1.00 21.33 O HETATM 1337 O HOH 57 26.248 6.284 -2.446 1.00 26.85 O HETATM 1338 O HOH 58 11.939 -10.166 19.969 1.00 27.48 O HETATM 1339 O HOH 59 25.250 12.233 24.905 1.00 45.35 O HETATM 1340 O HOH 60 24.123 10.205 31.821 1.00 31.91 O HETATM 1341 O HOH 61 25.275 -6.167 9.034 1.00 20.71 O HETATM 1342 O HOH 62 10.376 12.844 18.035 1.00 23.30 O HETATM 1343 O HOH 63 27.137 11.659 17.460 1.00 21.08 O HETATM 1344 O HOH 64 19.912 -8.877 29.152 1.00 26.30 O HETATM 1345 O HOH 65 14.151 3.838 -13.054 1.00 26.85 O HETATM 1346 O HOH 66 10.514 -3.392 33.103 1.00 24.45 O HETATM 1347 O HOH 67 8.169 12.826 19.317 1.00 20.49 O HETATM 1348 O HOH 68 22.895 9.839 -3.718 1.00 32.51 O HETATM 1349 O HOH 69 20.731 7.124 2.797 1.00 27.86 O HETATM 1350 O HOH 70 21.344 9.385 33.853 1.00 20.32 O HETATM 1351 O HOH 71 6.347 -3.668 31.538 1.00 17.24 O HETATM 1352 O HOH 72 10.083 -7.385 28.031 1.00 22.02 O HETATM 1353 O HOH 73 7.718 1.183 29.651 1.00 20.62 O HETATM 1354 O HOH 74 29.813 -10.055 -0.073 1.00 32.09 O HETATM 1355 O HOH 75 4.739 4.635 0.112 1.00 34.59 O HETATM 1356 O HOH 76 22.922 -9.422 18.598 1.00 39.48 O HETATM 1357 O HOH 77 18.058 6.999 4.733 1.00 20.54 O HETATM 1358 O HOH 78 7.180 1.894 16.466 1.00 29.22 O HETATM 1359 O HOH 79 1.970 -3.411 -4.015 1.00 30.13 O HETATM 1360 O HOH 80 19.196 -4.724 -13.571 1.00 25.59 O HETATM 1361 O HOH 81 6.259 3.920 32.515 1.00 24.18 O HETATM 1362 O HOH 82 3.630 6.076 33.564 1.00 31.55 O HETATM 1363 O HOH 83 20.281 7.430 -7.074 1.00 22.64 O HETATM 1364 O HOH 84 30.534 -7.457 6.050 1.00 26.72 O HETATM 1365 O HOH 85 20.062 11.785 33.598 1.00 25.00 O HETATM 1366 O HOH 86 8.170 12.739 24.636 1.00 26.69 O HETATM 1367 O HOH 87 9.703 -9.486 22.115 1.00 25.51 O HETATM 1368 O HOH 88 30.079 6.480 12.537 1.00 40.57 O HETATM 1369 O HOH 89 32.852 -7.484 1.917 1.00 32.53 O HETATM 1370 O HOH 90 17.843 -11.138 26.092 1.00 44.44 O HETATM 1371 O HOH 91 25.266 -7.034 27.424 1.00 37.39 O HETATM 1372 O HOH 92 24.600 -10.814 -3.094 1.00 42.61 O HETATM 1373 O HOH 93 7.976 0.016 33.609 1.00 17.32 O HETATM 1374 O HOH 94 28.625 11.636 21.925 1.00 35.69 O HETATM 1375 O HOH 95 32.842 -5.175 3.604 1.00 27.74 O HETATM 1376 O HOH 96 23.871 11.865 27.578 1.00 35.45 O HETATM 1377 O HOH 97 16.002 14.167 28.663 1.00 23.37 O HETATM 1378 O HOH 98 29.976 4.425 10.426 1.00 45.90 O HETATM 1379 O HOH 99 18.756 1.606 8.766 1.00 14.43 O HETATM 1380 O HOH 100 25.673 -5.363 13.320 1.00 20.05 O HETATM 1381 O HOH 101 14.031 7.693 14.701 1.00 20.72 O HETATM 1382 O HOH 102 27.994 -6.650 13.344 1.00 24.49 O HETATM 1383 O HOH 103 10.005 9.683 12.485 1.00 29.42 O HETATM 1384 O HOH 104 27.672 -8.500 15.281 1.00 31.11 O HETATM 1385 O HOH 105 25.943 -9.266 19.165 1.00 18.16 O HETATM 1386 O HOH 106 10.610 -2.720 10.273 1.00 21.01 O HETATM 1387 C1 BUA A 107 29.776 -7.613 19.055 1.00 -0.09 C HETATM 1388 C2 BUA A 107 29.445 -8.956 19.628 1.00 -0.02 C HETATM 1389 C3 BUA A 107 29.290 -8.908 21.076 1.00 0.04 C HETATM 1390 C4 BUA A 107 28.316 -7.833 21.412 1.00 0.18 C HETATM 1391 O2 BUA A 107 27.071 -7.978 21.114 1.00 -0.40 O HETATM 1392 N BUA A 107 28.730 -6.625 21.971 1.00 -0.26 N HETATM 1393 CA BUA A 107 27.863 -5.466 22.185 1.00 0.15 C HETATM 1394 C BUA A 107 27.786 -4.512 20.995 1.00 0.21 C HETATM 1395 O BUA A 107 26.711 -4.003 20.674 1.00 -0.39 O HETATM 1396 N BUA A 107 28.921 -4.251 20.352 1.00 -0.26 N HETATM 1397 CA BUA A 107 28.960 -3.197 19.325 1.00 0.13 C HETATM 1398 C BUA A 107 28.089 -3.564 18.114 1.00 0.21 C HETATM 1399 O BUA A 107 27.349 -2.735 17.606 1.00 -0.39 O HETATM 1400 N BUA A 107 28.148 -4.815 17.676 1.00 -0.24 N HETATM 1401 CA BUA A 107 27.321 -5.252 16.566 1.00 0.12 C HETATM 1402 C BUA A 107 25.837 -5.124 16.853 1.00 0.20 C HETATM 1403 O BUA A 107 25.046 -4.750 15.972 1.00 -0.39 O HETATM 1404 N BUA A 107 25.448 -5.433 18.087 1.00 -0.26 N HETATM 1405 CA BUA A 107 24.057 -5.243 18.490 1.00 0.15 C HETATM 1406 C BUA A 107 23.704 -3.767 18.470 1.00 0.21 C HETATM 1407 O BUA A 107 22.606 -3.414 18.068 1.00 -0.39 O HETATM 1408 N BUA A 107 24.620 -2.906 18.910 1.00 -0.26 N HETATM 1409 CA BUA A 107 24.374 -1.451 18.832 1.00 0.13 C HETATM 1410 C BUA A 107 24.084 -0.966 17.401 1.00 0.20 C HETATM 1411 O BUA A 107 23.180 -0.126 17.172 1.00 -0.39 O HETATM 1412 N BUA A 107 24.824 -1.485 16.429 1.00 -0.26 N HETATM 1413 CA BUA A 107 24.558 -1.120 15.025 1.00 0.13 C HETATM 1414 C BUA A 107 23.155 -1.482 14.590 1.00 0.20 C HETATM 1415 O BUA A 107 22.554 -0.784 13.777 1.00 -0.39 O HETATM 1416 N BUA A 107 22.633 -2.591 15.101 1.00 -0.26 N HETATM 1417 CA BUA A 107 21.287 -2.983 14.727 1.00 0.13 C HETATM 1418 C BUA A 107 20.271 -2.033 15.359 1.00 0.20 C HETATM 1419 O BUA A 107 19.254 -1.699 14.743 1.00 -0.39 O HETATM 1420 N BUA A 107 20.552 -1.577 16.578 1.00 -0.26 N HETATM 1421 CA BUA A 107 19.709 -0.567 17.229 1.00 0.13 C HETATM 1422 C BUA A 107 19.707 0.743 16.445 1.00 0.20 C HETATM 1423 O BUA A 107 18.655 1.332 16.176 1.00 -0.39 O HETATM 1424 N BUA A 107 20.890 1.189 16.052 1.00 -0.26 N HETATM 1425 CA BUA A 107 21.012 2.458 15.360 1.00 0.13 C HETATM 1426 C BUA A 107 20.378 2.321 13.983 1.00 0.20 C HETATM 1427 O BUA A 107 19.775 3.261 13.476 1.00 -0.39 O HETATM 1428 N BUA A 107 20.464 1.129 13.403 1.00 -0.26 N HETATM 1429 CA BUA A 107 19.873 0.908 12.084 1.00 0.13 C HETATM 1430 C BUA A 107 18.350 1.003 12.129 1.00 0.20 C HETATM 1431 O BUA A 107 17.703 1.583 11.237 1.00 -0.39 O HETATM 1432 N BUA A 107 17.756 0.433 13.167 1.00 -0.26 N HETATM 1433 CA BUA A 107 16.294 0.473 13.271 1.00 0.14 C HETATM 1434 C BUA A 107 15.832 1.860 13.622 1.00 0.21 C HETATM 1435 O BUA A 107 14.758 2.272 13.211 1.00 -0.39 O HETATM 1436 N BUA A 107 16.645 2.598 14.372 1.00 -0.26 N HETATM 1437 CA BUA A 107 16.299 3.990 14.656 1.00 0.13 C HETATM 1438 C BUA A 107 16.328 4.808 13.359 1.00 0.20 C HETATM 1439 O BUA A 107 15.463 5.648 13.133 1.00 -0.39 O HETATM 1440 N BUA A 107 17.310 4.571 12.495 1.00 -0.26 N HETATM 1441 CA BUA A 107 17.376 5.337 11.259 1.00 0.13 C HETATM 1442 C BUA A 107 16.242 4.984 10.321 1.00 0.20 C HETATM 1443 O BUA A 107 15.746 5.827 9.570 1.00 -0.39 O HETATM 1444 N BUA A 107 15.848 3.725 10.362 1.00 -0.26 N HETATM 1445 CA BUA A 107 14.674 3.257 9.633 1.00 0.13 C HETATM 1446 C BUA A 107 13.408 3.985 10.072 1.00 0.20 C HETATM 1447 O BUA A 107 12.618 4.398 9.239 1.00 -0.39 O HETATM 1448 N BUA A 107 13.208 4.131 11.380 1.00 -0.26 N HETATM 1449 CA BUA A 107 12.055 4.882 11.904 1.00 0.13 C HETATM 1450 C BUA A 107 12.048 6.367 11.511 1.00 0.20 C HETATM 1451 O BUA A 107 10.974 6.955 11.354 1.00 -0.39 O HETATM 1452 N BUA A 107 13.229 6.974 11.363 1.00 -0.26 N HETATM 1453 CA BUA A 107 13.330 8.392 10.977 1.00 0.13 C HETATM 1454 C BUA A 107 12.738 8.568 9.607 1.00 0.20 C HETATM 1455 O BUA A 107 11.948 9.478 9.350 1.00 -0.39 O HETATM 1456 N BUA A 107 13.155 7.684 8.714 1.00 -0.27 N HETATM 1457 CA BUA A 107 12.619 7.632 7.365 1.00 0.12 C HETATM 1458 C BUA A 107 11.209 7.089 7.394 1.00 0.22 C HETATM 1459 O BUA A 107 11.011 5.876 7.371 1.00 -0.41 O HETATM 1460 O1 BUA A 107 10.232 7.883 7.442 1.00 -0.41 O HETATM 1461 CB BUA A 107 13.444 6.684 6.516 1.00 -0.01 C HETATM 1462 CG1 BUA A 107 13.005 6.744 5.088 1.00 -0.06 C HETATM 1463 H BUA A 107 13.613 6.051 4.488 1.00 0.02 H HETATM 1464 H BUA A 107 13.133 7.768 4.708 1.00 0.02 H HETATM 1465 H BUA A 107 11.945 6.457 5.018 1.00 0.02 H HETATM 1466 CG2 BUA A 107 14.911 7.039 6.637 1.00 -0.06 C HETATM 1467 H BUA A 107 15.214 6.989 7.693 1.00 0.02 H HETATM 1468 H BUA A 107 15.074 8.058 6.256 1.00 0.02 H HETATM 1469 H BUA A 107 15.510 6.328 6.050 1.00 0.02 H HETATM 1470 H BUA A 107 13.297 5.658 6.885 1.00 0.03 H HETATM 1471 H BUA A 107 12.628 8.640 6.925 1.00 0.08 H HETATM 1472 H BUA A 107 13.864 7.029 8.977 1.00 0.19 H HETATM 1473 CB BUA A 107 14.791 8.834 10.871 1.00 -0.00 C HETATM 1474 CG BUA A 107 15.495 9.171 12.162 1.00 -0.00 C HETATM 1475 SD BUA A 107 17.252 9.452 11.790 1.00 -0.16 S HETATM 1476 CE BUA A 107 18.017 8.547 13.133 1.00 -0.02 C HETATM 1477 H BUA A 107 19.111 8.621 13.049 1.00 0.03 H HETATM 1478 H BUA A 107 17.716 7.490 13.081 1.00 0.03 H HETATM 1479 H BUA A 107 17.693 8.974 14.094 1.00 0.03 H HETATM 1480 H BUA A 107 15.393 8.336 12.871 1.00 0.04 H HETATM 1481 H BUA A 107 15.056 10.080 12.600 1.00 0.04 H HETATM 1482 H BUA A 107 14.823 9.728 10.232 1.00 0.03 H HETATM 1483 H BUA A 107 15.351 8.019 10.389 1.00 0.03 H HETATM 1484 H BUA A 107 12.798 9.014 11.712 1.00 0.08 H HETATM 1485 H BUA A 107 14.067 6.451 11.518 1.00 0.19 H HETATM 1486 CB BUA A 107 12.002 4.761 13.435 1.00 -0.01 C HETATM 1487 CG BUA A 107 11.691 3.365 13.960 1.00 -0.05 C HETATM 1488 CD BUA A 107 10.207 3.023 13.769 1.00 -0.07 C HETATM 1489 H BUA A 107 10.011 2.012 14.156 1.00 0.02 H HETATM 1490 H BUA A 107 9.957 3.061 12.698 1.00 0.02 H HETATM 1491 H BUA A 107 9.590 3.751 14.316 1.00 0.02 H HETATM 1492 H BUA A 107 11.935 3.321 15.032 1.00 0.03 H HETATM 1493 H BUA A 107 12.302 2.631 13.414 1.00 0.03 H HETATM 1494 H BUA A 107 11.225 5.446 13.805 1.00 0.03 H HETATM 1495 H BUA A 107 12.980 5.066 13.835 1.00 0.03 H HETATM 1496 H BUA A 107 11.146 4.424 11.488 1.00 0.08 H HETATM 1497 H BUA A 107 13.856 3.721 12.022 1.00 0.19 H HETATM 1498 CB BUA A 107 14.487 1.751 9.862 1.00 -0.01 C HETATM 1499 CG BUA A 107 13.162 1.218 9.323 1.00 -0.04 C HETATM 1500 CD BUA A 107 12.796 -0.144 9.977 1.00 -0.01 C HETATM 1501 CE BUA A 107 12.379 0.034 11.446 1.00 -0.04 C HETATM 1502 NZ BUA A 107 12.119 -1.276 12.122 1.00 0.22 N HETATM 1503 H BUA A 107 11.850 -1.112 13.079 1.00 0.20 H HETATM 1504 H BUA A 107 12.956 -1.837 12.100 1.00 0.20 H HETATM 1505 H BUA A 107 11.377 -1.760 11.642 1.00 0.20 H HETATM 1506 H BUA A 107 11.462 0.640 11.483 1.00 0.08 H HETATM 1507 H BUA A 107 13.185 0.556 11.982 1.00 0.08 H HETATM 1508 H BUA A 107 13.671 -0.810 9.931 1.00 0.03 H HETATM 1509 H BUA A 107 11.962 -0.596 9.420 1.00 0.03 H HETATM 1510 H BUA A 107 13.246 1.082 8.235 1.00 0.03 H HETATM 1511 H BUA A 107 12.367 1.946 9.541 1.00 0.03 H HETATM 1512 H BUA A 107 14.528 1.555 10.944 1.00 0.03 H HETATM 1513 H BUA A 107 15.308 1.217 9.361 1.00 0.03 H HETATM 1514 H BUA A 107 14.832 3.441 8.560 1.00 0.08 H HETATM 1515 H BUA A 107 16.370 3.071 10.910 1.00 0.19 H HETATM 1516 CB BUA A 107 18.747 5.162 10.578 1.00 -0.01 C HETATM 1517 CG BUA A 107 19.891 5.885 11.307 1.00 -0.02 C HETATM 1518 CD BUA A 107 21.109 6.042 10.398 1.00 0.06 C HETATM 1519 NE BUA A 107 22.099 6.909 11.028 1.00 -0.27 N HETATM 1520 CZ BUA A 107 23.036 6.486 11.870 1.00 0.29 C HETATM 1521 NH1 BUA A 107 23.124 5.195 12.153 1.00 -0.28 N HETATM 1522 H BUA A 107 23.847 4.859 12.805 1.00 0.26 H HETATM 1523 H BUA A 107 22.469 4.527 11.722 1.00 0.26 H HETATM 1524 NH2 BUA A 107 23.878 7.354 12.428 1.00 -0.28 N HETATM 1525 H BUA A 107 23.806 8.357 12.205 1.00 0.26 H HETATM 1526 H BUA A 107 24.601 7.022 13.082 1.00 0.26 H HETATM 1527 H BUA A 107 22.070 7.914 10.806 1.00 0.26 H HETATM 1528 H BUA A 107 20.794 6.485 9.442 1.00 0.07 H HETATM 1529 H BUA A 107 21.556 5.054 10.215 1.00 0.07 H HETATM 1530 H BUA A 107 20.178 5.301 12.194 1.00 0.03 H HETATM 1531 H BUA A 107 19.545 6.881 11.620 1.00 0.03 H HETATM 1532 H BUA A 107 18.680 5.559 9.554 1.00 0.03 H HETATM 1533 H BUA A 107 18.982 4.088 10.540 1.00 0.03 H HETATM 1534 H BUA A 107 17.268 6.400 11.521 1.00 0.08 H HETATM 1535 H BUA A 107 17.998 3.872 12.693 1.00 0.19 H HETATM 1536 CB BUA A 107 17.215 4.606 15.753 1.00 -0.00 C HETATM 1537 CG1 BUA A 107 16.856 4.047 17.124 1.00 -0.05 C HETATM 1538 CD1 BUA A 107 17.857 4.418 18.191 1.00 -0.06 C HETATM 1539 H BUA A 107 17.544 3.987 19.153 1.00 0.02 H HETATM 1540 H BUA A 107 17.910 5.513 18.279 1.00 0.02 H HETATM 1541 H BUA A 107 18.847 4.024 17.918 1.00 0.02 H HETATM 1542 H BUA A 107 16.808 2.950 17.054 1.00 0.03 H HETATM 1543 H BUA A 107 15.871 4.439 17.416 1.00 0.03 H HETATM 1544 CG2 BUA A 107 17.093 6.122 15.791 1.00 -0.06 C HETATM 1545 H BUA A 107 17.351 6.535 14.805 1.00 0.02 H HETATM 1546 H BUA A 107 17.780 6.526 16.549 1.00 0.02 H HETATM 1547 H BUA A 107 16.060 6.401 16.047 1.00 0.02 H HETATM 1548 H BUA A 107 18.258 4.342 15.523 1.00 0.03 H HETATM 1549 H BUA A 107 15.269 4.008 15.041 1.00 0.08 H HETATM 1550 H BUA A 107 17.487 2.204 14.739 1.00 0.19 H HETATM 1551 CB BUA A 107 15.768 -0.571 14.256 1.00 0.04 C HETATM 1552 CG BUA A 107 15.778 -1.947 13.684 1.00 0.06 C HETATM 1553 ND1 BUA A 107 14.777 -2.395 12.856 1.00 -0.26 N HETATM 1554 CE1 BUA A 107 15.055 -3.633 12.475 1.00 0.09 C HETATM 1555 NE2 BUA A 107 16.192 -3.996 13.032 1.00 -0.34 N HETATM 1556 CD2 BUA A 107 16.686 -2.944 13.776 1.00 -0.03 C HETATM 1557 H BUA A 107 17.624 -2.921 14.329 1.00 0.03 H HETATM 1558 H BUA A 107 14.446 -4.247 11.813 1.00 0.11 H HETATM 1559 H BUA A 107 13.945 -1.856 12.577 1.00 0.24 H HETATM 1560 H BUA A 107 14.735 -0.310 14.530 1.00 0.05 H HETATM 1561 H BUA A 107 16.400 -0.558 15.156 1.00 0.05 H HETATM 1562 H BUA A 107 15.883 0.226 12.281 1.00 0.08 H HETATM 1563 H BUA A 107 18.300 -0.020 13.873 1.00 0.19 H HETATM 1564 CB BUA A 107 20.338 -0.413 11.508 1.00 -0.02 C HETATM 1565 H BUA A 107 19.884 -0.561 10.517 1.00 0.03 H HETATM 1566 H BUA A 107 20.034 -1.232 12.177 1.00 0.03 H HETATM 1567 H BUA A 107 21.434 -0.406 11.411 1.00 0.03 H HETATM 1568 H BUA A 107 20.233 1.706 11.419 1.00 0.08 H HETATM 1569 H BUA A 107 20.934 0.380 13.870 1.00 0.19 H HETATM 1570 CB BUA A 107 22.487 2.876 15.272 1.00 0.00 C HETATM 1571 CG BUA A 107 23.084 3.252 16.634 1.00 0.04 C HETATM 1572 CD BUA A 107 24.604 3.188 16.662 1.00 0.17 C HETATM 1573 OE1 BUA A 107 25.212 2.323 16.022 1.00 -0.40 O HETATM 1574 NE2 BUA A 107 25.233 4.111 17.413 1.00 -0.30 N HETATM 1575 H BUA A 107 26.232 4.115 17.468 1.00 0.18 H HETATM 1576 H BUA A 107 24.702 4.792 17.916 1.00 0.18 H HETATM 1577 H BUA A 107 22.691 2.558 17.391 1.00 0.05 H HETATM 1578 H BUA A 107 22.773 4.278 16.881 1.00 0.05 H HETATM 1579 H BUA A 107 22.566 3.745 14.602 1.00 0.03 H HETATM 1580 H BUA A 107 23.065 2.038 14.855 1.00 0.03 H HETATM 1581 H BUA A 107 20.466 3.228 15.925 1.00 0.08 H HETATM 1582 H BUA A 107 21.709 0.645 16.234 1.00 0.19 H HETATM 1583 CB BUA A 107 20.188 -0.304 18.689 1.00 -0.01 C HETATM 1584 CG1 BUA A 107 19.409 0.831 19.330 1.00 -0.06 C HETATM 1585 H BUA A 107 19.771 0.990 20.357 1.00 0.02 H HETATM 1586 H BUA A 107 18.340 0.574 19.354 1.00 0.02 H HETATM 1587 H BUA A 107 19.552 1.751 18.744 1.00 0.02 H HETATM 1588 CG2 BUA A 107 20.056 -1.574 19.540 1.00 -0.06 C HETATM 1589 H BUA A 107 20.623 -2.391 19.070 1.00 0.02 H HETATM 1590 H BUA A 107 18.996 -1.858 19.613 1.00 0.02 H HETATM 1591 H BUA A 107 20.455 -1.384 20.547 1.00 0.02 H HETATM 1592 H BUA A 107 21.250 -0.018 18.655 1.00 0.03 H HETATM 1593 H BUA A 107 18.679 -0.952 17.264 1.00 0.08 H HETATM 1594 H BUA A 107 21.354 -1.930 17.060 1.00 0.19 H HETATM 1595 CB BUA A 107 21.021 -4.443 15.130 1.00 -0.01 C HETATM 1596 CG BUA A 107 22.037 -5.427 14.579 1.00 -0.02 C HETATM 1597 CD BUA A 107 22.134 -5.303 13.100 1.00 0.06 C HETATM 1598 NE BUA A 107 20.799 -5.244 12.512 1.00 -0.27 N HETATM 1599 CZ BUA A 107 20.479 -4.571 11.414 1.00 0.29 C HETATM 1600 NH1 BUA A 107 21.425 -3.903 10.756 1.00 -0.28 N HETATM 1601 H BUA A 107 21.186 -3.378 9.903 1.00 0.26 H HETATM 1602 H BUA A 107 22.396 -3.912 11.100 1.00 0.26 H HETATM 1603 NH2 BUA A 107 19.210 -4.575 10.980 1.00 -0.28 N HETATM 1604 H BUA A 107 18.490 -5.096 11.500 1.00 0.26 H HETATM 1605 H BUA A 107 18.956 -4.057 10.127 1.00 0.26 H HETATM 1606 H BUA A 107 20.047 -5.765 12.986 1.00 0.26 H HETATM 1607 H BUA A 107 22.671 -6.174 12.696 1.00 0.07 H HETATM 1608 H BUA A 107 22.683 -4.384 12.847 1.00 0.07 H HETATM 1609 H BUA A 107 21.726 -6.450 14.837 1.00 0.03 H HETATM 1610 H BUA A 107 23.021 -5.219 15.025 1.00 0.03 H HETATM 1611 H BUA A 107 20.026 -4.729 14.759 1.00 0.03 H HETATM 1612 H BUA A 107 21.036 -4.508 16.228 1.00 0.03 H HETATM 1613 H BUA A 107 21.194 -2.908 13.633 1.00 0.08 H HETATM 1614 H BUA A 107 23.163 -3.151 15.738 1.00 0.19 H HETATM 1615 CB BUA A 107 25.545 -1.815 14.091 1.00 -0.01 C HETATM 1616 CG BUA A 107 26.713 -0.933 13.674 1.00 -0.04 C HETATM 1617 CD1 BUA A 107 27.581 -0.589 14.857 1.00 -0.06 C HETATM 1618 H BUA A 107 28.415 0.048 14.527 1.00 0.02 H HETATM 1619 H BUA A 107 27.979 -1.513 15.301 1.00 0.02 H HETATM 1620 H BUA A 107 26.983 -0.050 15.606 1.00 0.02 H HETATM 1621 CD2 BUA A 107 27.538 -1.623 12.594 1.00 -0.06 C HETATM 1622 H BUA A 107 26.891 -1.867 11.739 1.00 0.02 H HETATM 1623 H BUA A 107 27.974 -2.548 13.000 1.00 0.02 H HETATM 1624 H BUA A 107 28.345 -0.952 12.264 1.00 0.02 H HETATM 1625 H BUA A 107 26.309 0.002 13.259 1.00 0.03 H HETATM 1626 H BUA A 107 25.005 -2.128 13.185 1.00 0.03 H HETATM 1627 H BUA A 107 25.945 -2.702 14.605 1.00 0.03 H HETATM 1628 H BUA A 107 24.683 -0.032 14.927 1.00 0.08 H HETATM 1629 H BUA A 107 25.562 -2.123 16.649 1.00 0.19 H HETATM 1630 CB BUA A 107 25.530 -0.652 19.467 1.00 -0.01 C HETATM 1631 CG BUA A 107 25.326 0.872 19.477 1.00 -0.04 C HETATM 1632 CD1 BUA A 107 24.135 1.262 20.368 1.00 -0.06 C HETATM 1633 H BUA A 107 24.012 2.355 20.357 1.00 0.02 H HETATM 1634 H BUA A 107 24.322 0.924 21.398 1.00 0.02 H HETATM 1635 H BUA A 107 23.220 0.786 19.986 1.00 0.02 H HETATM 1636 CD2 BUA A 107 26.592 1.616 19.946 1.00 -0.06 C HETATM 1637 H BUA A 107 27.441 1.334 19.306 1.00 0.02 H HETATM 1638 H BUA A 107 26.812 1.343 20.989 1.00 0.02 H HETATM 1639 H BUA A 107 26.426 2.701 19.878 1.00 0.02 H HETATM 1640 H BUA A 107 25.105 1.190 18.447 1.00 0.03 H HETATM 1641 H BUA A 107 26.449 -0.871 18.903 1.00 0.03 H HETATM 1642 H BUA A 107 25.649 -0.989 20.507 1.00 0.03 H HETATM 1643 H BUA A 107 23.472 -1.248 19.427 1.00 0.08 H HETATM 1644 H BUA A 107 25.478 -3.246 19.295 1.00 0.19 H HETATM 1645 CB BUA A 107 23.768 -5.843 19.867 1.00 0.08 C HETATM 1646 OG BUA A 107 24.269 -5.033 20.901 1.00 -0.39 O HETATM 1647 H BUA A 107 25.210 -4.944 20.804 1.00 0.21 H HETATM 1648 H BUA A 107 24.240 -6.835 19.930 1.00 0.06 H HETATM 1649 H BUA A 107 22.680 -5.946 19.990 1.00 0.06 H HETATM 1650 H BUA A 107 23.419 -5.759 17.757 1.00 0.08 H HETATM 1651 H BUA A 107 26.111 -5.797 18.741 1.00 0.19 H HETATM 1652 H BUA A 107 27.548 -6.307 16.352 1.00 0.08 H HETATM 1653 H BUA A 107 27.563 -4.639 15.685 1.00 0.08 H HETATM 1654 C3 BUA A 107 29.310 -5.693 17.616 1.00 0.05 C HETATM 1655 C1 BUA A 107 28.963 -7.025 18.179 1.00 -0.08 C HETATM 1656 H BUA A 107 28.042 -7.521 17.875 1.00 0.05 H HETATM 1657 H BUA A 107 30.131 -5.252 18.200 1.00 0.06 H HETATM 1658 H BUA A 107 29.626 -5.810 16.569 1.00 0.06 H HETATM 1659 CB BUA A 107 30.409 -2.829 18.927 1.00 -0.00 C HETATM 1660 CG1 BUA A 107 31.027 -1.973 20.017 1.00 -0.05 C HETATM 1661 CD1 BUA A 107 30.347 -0.601 20.190 1.00 -0.06 C HETATM 1662 H BUA A 107 30.848 -0.042 20.994 1.00 0.02 H HETATM 1663 H BUA A 107 29.288 -0.747 20.450 1.00 0.02 H HETATM 1664 H BUA A 107 30.419 -0.035 19.250 1.00 0.02 H HETATM 1665 H BUA A 107 32.086 -1.807 19.769 1.00 0.03 H HETATM 1666 H BUA A 107 30.955 -2.518 20.969 1.00 0.03 H HETATM 1667 CG2 BUA A 107 30.453 -2.005 17.661 1.00 -0.06 C HETATM 1668 H BUA A 107 30.015 -2.581 16.833 1.00 0.02 H HETATM 1669 H BUA A 107 31.497 -1.756 17.422 1.00 0.02 H HETATM 1670 H BUA A 107 29.879 -1.078 17.807 1.00 0.02 H HETATM 1671 H BUA A 107 30.992 -3.752 18.790 1.00 0.03 H HETATM 1672 H BUA A 107 28.517 -2.296 19.774 1.00 0.08 H HETATM 1673 H BUA A 107 29.748 -4.771 20.566 1.00 0.19 H HETATM 1674 CB BUA A 107 28.311 -4.681 23.419 1.00 0.08 C HETATM 1675 CG BUA A 107 28.048 -5.427 24.717 1.00 0.18 C HETATM 1676 OD1 BUA A 107 27.153 -6.277 24.789 1.00 -0.40 O HETATM 1677 ND2 BUA A 107 28.840 -5.127 25.745 1.00 -0.30 N HETATM 1678 H BUA A 107 28.714 -5.586 26.624 1.00 0.18 H HETATM 1679 H BUA A 107 29.561 -4.442 25.638 1.00 0.18 H HETATM 1680 H BUA A 107 27.766 -3.726 23.445 1.00 0.06 H HETATM 1681 H BUA A 107 29.390 -4.485 23.338 1.00 0.06 H HETATM 1682 H BUA A 107 26.848 -5.848 22.369 1.00 0.08 H HETATM 1683 H BUA A 107 29.688 -6.545 22.245 1.00 0.19 H HETATM 1684 H BUA A 107 30.260 -8.690 21.546 1.00 0.05 H HETATM 1685 H BUA A 107 28.915 -9.876 21.441 1.00 0.05 H HETATM 1686 H BUA A 107 30.256 -9.657 19.381 1.00 0.04 H HETATM 1687 H BUA A 107 28.504 -9.311 19.182 1.00 0.04 H HETATM 1688 H BUA A 107 30.693 -7.110 19.358 1.00 0.05 H CONECT 1 2 6 7 8 CONECT 6 1 CONECT 7 1 CONECT 8 1 CONECT 1387 1388 1655 1688 CONECT 1388 1387 1389 1686 1687 CONECT 1389 1388 1390 1684 1685 CONECT 1390 1389 1391 1392 CONECT 1391 1390 CONECT 1392 1390 1393 1683 CONECT 1393 1392 1394 1674 1682 CONECT 1394 1393 1395 1396 CONECT 1395 1394 CONECT 1396 1394 1397 1673 CONECT 1397 1396 1398 1659 1672 CONECT 1398 1397 1399 1400 CONECT 1399 1398 CONECT 1400 1398 1401 1654 CONECT 1401 1400 1402 1652 1653 CONECT 1402 1401 1403 1404 CONECT 1403 1402 CONECT 1404 1402 1405 1651 CONECT 1405 1404 1406 1645 1650 CONECT 1406 1405 1407 1408 CONECT 1407 1406 CONECT 1408 1406 1409 1644 CONECT 1409 1408 1410 1630 1643 CONECT 1410 1409 1411 1412 CONECT 1411 1410 CONECT 1412 1410 1413 1629 CONECT 1413 1412 1414 1615 1628 CONECT 1414 1413 1415 1416 CONECT 1415 1414 CONECT 1416 1414 1417 1614 CONECT 1417 1416 1418 1595 1613 CONECT 1418 1417 1419 1420 CONECT 1419 1418 CONECT 1420 1418 1421 1594 CONECT 1421 1420 1422 1583 1593 CONECT 1422 1421 1423 1424 CONECT 1423 1422 CONECT 1424 1422 1425 1582 CONECT 1425 1424 1426 1570 1581 CONECT 1426 1425 1427 1428 CONECT 1427 1426 CONECT 1428 1426 1429 1569 CONECT 1429 1428 1430 1564 1568 CONECT 1430 1429 1431 1432 CONECT 1431 1430 CONECT 1432 1430 1433 1563 CONECT 1433 1432 1434 1551 1562 CONECT 1434 1433 1435 1436 CONECT 1435 1434 CONECT 1436 1434 1437 1550 CONECT 1437 1436 1438 1536 1549 CONECT 1438 1437 1439 1440 CONECT 1439 1438 CONECT 1440 1438 1441 1535 CONECT 1441 1440 1442 1516 1534 CONECT 1442 1441 1443 1444 CONECT 1443 1442 CONECT 1444 1442 1445 1515 CONECT 1445 1444 1446 1498 1514 CONECT 1446 1445 1447 1448 CONECT 1447 1446 CONECT 1448 1446 1449 1497 CONECT 1449 1448 1450 1486 1496 CONECT 1450 1449 1451 1452 CONECT 1451 1450 CONECT 1452 1450 1453 1485 CONECT 1453 1452 1454 1473 1484 CONECT 1454 1453 1455 1456 CONECT 1455 1454 CONECT 1456 1454 1457 1472 CONECT 1457 1456 1458 1461 1471 CONECT 1458 1457 1459 1460 CONECT 1459 1458 CONECT 1460 1458 CONECT 1461 1457 1462 1466 1470 CONECT 1462 1461 1463 1464 1465 CONECT 1463 1462 CONECT 1464 1462 CONECT 1465 1462 CONECT 1466 1461 1467 1468 1469 CONECT 1467 1466 CONECT 1468 1466 CONECT 1469 1466 CONECT 1470 1461 CONECT 1471 1457 CONECT 1472 1456 CONECT 1473 1453 1474 1482 1483 CONECT 1474 1473 1475 1480 1481 CONECT 1475 1474 1476 CONECT 1476 1475 1477 1478 1479 CONECT 1477 1476 CONECT 1478 1476 CONECT 1479 1476 CONECT 1480 1474 CONECT 1481 1474 CONECT 1482 1473 CONECT 1483 1473 CONECT 1484 1453 CONECT 1485 1452 CONECT 1486 1449 1487 1494 1495 CONECT 1487 1486 1488 1492 1493 CONECT 1488 1487 1489 1490 1491 CONECT 1489 1488 CONECT 1490 1488 CONECT 1491 1488 CONECT 1492 1487 CONECT 1493 1487 CONECT 1494 1486 CONECT 1495 1486 CONECT 1496 1449 CONECT 1497 1448 CONECT 1498 1445 1499 1512 1513 CONECT 1499 1498 1500 1510 1511 CONECT 1500 1499 1501 1508 1509 CONECT 1501 1500 1502 1506 1507 CONECT 1502 1501 1503 1504 1505 CONECT 1503 1502 CONECT 1504 1502 CONECT 1505 1502 CONECT 1506 1501 CONECT 1507 1501 CONECT 1508 1500 CONECT 1509 1500 CONECT 1510 1499 CONECT 1511 1499 CONECT 1512 1498 CONECT 1513 1498 CONECT 1514 1445 CONECT 1515 1444 CONECT 1516 1441 1517 1532 1533 CONECT 1517 1516 1518 1530 1531 CONECT 1518 1517 1519 1528 1529 CONECT 1519 1518 1520 1527 CONECT 1520 1519 1521 1524 CONECT 1521 1520 1522 1523 CONECT 1522 1521 CONECT 1523 1521 CONECT 1524 1520 1525 1526 CONECT 1525 1524 CONECT 1526 1524 CONECT 1527 1519 CONECT 1528 1518 CONECT 1529 1518 CONECT 1530 1517 CONECT 1531 1517 CONECT 1532 1516 CONECT 1533 1516 CONECT 1534 1441 CONECT 1535 1440 CONECT 1536 1437 1537 1544 1548 CONECT 1537 1536 1538 1542 1543 CONECT 1538 1537 1539 1540 1541 CONECT 1539 1538 CONECT 1540 1538 CONECT 1541 1538 CONECT 1542 1537 CONECT 1543 1537 CONECT 1544 1536 1545 1546 1547 CONECT 1545 1544 CONECT 1546 1544 CONECT 1547 1544 CONECT 1548 1536 CONECT 1549 1437 CONECT 1550 1436 CONECT 1551 1433 1552 1560 1561 CONECT 1552 1551 1553 1556 CONECT 1553 1552 1554 1559 CONECT 1554 1553 1555 1558 CONECT 1555 1554 1556 CONECT 1556 1552 1555 1557 CONECT 1557 1556 CONECT 1558 1554 CONECT 1559 1553 CONECT 1560 1551 CONECT 1561 1551 CONECT 1562 1433 CONECT 1563 1432 CONECT 1564 1429 1565 1566 1567 CONECT 1565 1564 CONECT 1566 1564 CONECT 1567 1564 CONECT 1568 1429 CONECT 1569 1428 CONECT 1570 1425 1571 1579 1580 CONECT 1571 1570 1572 1577 1578 CONECT 1572 1571 1573 1574 CONECT 1573 1572 CONECT 1574 1572 1575 1576 CONECT 1575 1574 CONECT 1576 1574 CONECT 1577 1571 CONECT 1578 1571 CONECT 1579 1570 CONECT 1580 1570 CONECT 1581 1425 CONECT 1582 1424 CONECT 1583 1421 1584 1588 1592 CONECT 1584 1583 1585 1586 1587 CONECT 1585 1584 CONECT 1586 1584 CONECT 1587 1584 CONECT 1588 1583 1589 1590 1591 CONECT 1589 1588 CONECT 1590 1588 CONECT 1591 1588 CONECT 1592 1583 CONECT 1593 1421 CONECT 1594 1420 CONECT 1595 1417 1596 1611 1612 CONECT 1596 1595 1597 1609 1610 CONECT 1597 1596 1598 1607 1608 CONECT 1598 1597 1599 1606 CONECT 1599 1598 1600 1603 CONECT 1600 1599 1601 1602 CONECT 1601 1600 CONECT 1602 1600 CONECT 1603 1599 1604 1605 CONECT 1604 1603 CONECT 1605 1603 CONECT 1606 1598 CONECT 1607 1597 CONECT 1608 1597 CONECT 1609 1596 CONECT 1610 1596 CONECT 1611 1595 CONECT 1612 1595 CONECT 1613 1417 CONECT 1614 1416 CONECT 1615 1413 1616 1626 1627 CONECT 1616 1615 1617 1621 1625 CONECT 1617 1616 1618 1619 1620 CONECT 1618 1617 CONECT 1619 1617 CONECT 1620 1617 CONECT 1621 1616 1622 1623 1624 CONECT 1622 1621 CONECT 1623 1621 CONECT 1624 1621 CONECT 1625 1616 CONECT 1626 1615 CONECT 1627 1615 CONECT 1628 1413 CONECT 1629 1412 CONECT 1630 1409 1631 1641 1642 CONECT 1631 1630 1632 1636 1640 CONECT 1632 1631 1633 1634 1635 CONECT 1633 1632 CONECT 1634 1632 CONECT 1635 1632 CONECT 1636 1631 1637 1638 1639 CONECT 1637 1636 CONECT 1638 1636 CONECT 1639 1636 CONECT 1640 1631 CONECT 1641 1630 CONECT 1642 1630 CONECT 1643 1409 CONECT 1644 1408 CONECT 1645 1405 1646 1648 1649 CONECT 1646 1645 1647 CONECT 1647 1646 CONECT 1648 1645 CONECT 1649 1645 CONECT 1650 1405 CONECT 1651 1404 CONECT 1652 1401 CONECT 1653 1401 CONECT 1654 1400 1655 1657 1658 CONECT 1655 1387 1654 1656 CONECT 1656 1655 CONECT 1657 1654 CONECT 1658 1654 CONECT 1659 1397 1660 1667 1671 CONECT 1660 1659 1661 1665 1666 CONECT 1661 1660 1662 1663 1664 CONECT 1662 1661 CONECT 1663 1661 CONECT 1664 1661 CONECT 1665 1660 CONECT 1666 1660 CONECT 1667 1659 1668 1669 1670 CONECT 1668 1667 CONECT 1669 1667 CONECT 1670 1667 CONECT 1671 1659 CONECT 1672 1397 CONECT 1673 1396 CONECT 1674 1393 1675 1680 1681 CONECT 1675 1674 1676 1677 CONECT 1676 1675 CONECT 1677 1675 1678 1679 CONECT 1678 1677 CONECT 1679 1677 CONECT 1680 1674 CONECT 1681 1674 CONECT 1682 1393 CONECT 1683 1392 CONECT 1684 1389 CONECT 1685 1389 CONECT 1686 1388 CONECT 1687 1388 CONECT 1688 1387 MASTER 0 0 0 0 0 0 0 0 1687 1 306 11 END
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Entry Information
PDB ID
4mzl
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Myosin A tail domain interacting protein, MTIP from Plasmodium falciparum
Ligand Name
18-mer
EC.Number
E.C.-.-.-.-
Resolution
2.01(Å)
Affinity (Kd/Ki/IC50)
IC50=2.4uM
Release Year
2013
Protein/NA Sequence
Check fasta file
Primary Reference
(2014) Acs Chem.Biol. Vol. 8: pp. 506-512
Ligand Properties
Formula
C
9
1
H
1
6
1
N
2
8
O
2
2
S
Molecular Weight
2031.490
Exact Mass
2030.210
No. of atoms
303
No. of bonds
304
Polar Surface Area
843.26
LOGP Value
0.84 (
Computed with XLOGP3
)
0.13 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 21
No. of Hydrogen Bond Acceptors: 23
No. of Rotatable Bonds: 79
No. of Nitrogen and Oxygen Atoms: 50
No. of Rings: 2
Canonical SMILES
[NH3+]CCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)C(C)C)CCSC)CCC)NC(=O)[C@@H](NC(=O)[C@H]([C@H](CC)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](C(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CN1C/C=C/CCC(=O)N[C@H](C(=O)N[C@H](C1=O)[C@H](CC)C)CC(=O)N)CO)CC(C)C)CC(C)C)CCC[NH+]=C(N)N)CCC(=O)N)C)Cc1[nH]cnc1)CCC[NH+]=C(N)N
InChI String
InChI=1S/C91H158N28O22S/c1-16-26-55(76(127)109-60(33-38-142-15)80(131)116-71(50(10)11)89(140)141)106-77(128)56(27-21-22-34-92)107-78(129)57(28-24-35-100-90(95)96)110-87(138)72(51(12)17-2)117-83(134)63(41-54-43-99-46-102-54)112-74(125)53(14)103-75(126)59(31-32-66(93)121)111-86(137)70(49(8)9)115-79(130)58(29-25-36-101-91(97)98)108-81(132)61(39-47(4)5)113-82(133)62(40-48(6)7)114-85(136)65(45-120)105-69(124)44-119-37-23-19-20-30-68(123)104-64(42-67(94)122)84(135)118-73(88(119)139)52(13)18-3/h19,23,43,46-53,55-65,70-73,120H,16-18,20-22,24-42,44-45,92H2,1-15H3,(H2,93,121)(H2,94,122)(H,99,102)(H,103,126)(H,104,123)(H,105,124)(H,106,128)(H,107,129)(H,108,132)(H,109,127)(H,110,138)(H,111,137)(H,112,125)(H,113,133)(H,114,136)(H,115,130)(H,116,131)(H,117,134)(H,118,135)(H,140,141)(H4,95,96,100)(H4,97,98,101)/p+3/b23-19+/t51-,52-,53-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,70-,71-,72-,73-/m0/s1
Links to External Databases
RCSB PDB
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PDBsum
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UniProtKB AC
UniProt accession number (AC):
Q8IDR3
Q8I4W8
Entrez Gene ID
NCBI Entrez Gene ID:
814200
811497
ASD
Information of known allosteric effects of PDB entries
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