Browse entries in the PDBbind-CN Database
HEADER 5MTE_COMPLEX COMPND 5MTE_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 137 MET LYS ILE LEU LYS ASP ASP ALA PRO GLU LEU HIS ALA SEQRES 2 A 137 ILE ALA ALA GLU VAL PRO HIS GLY GLU ASP VAL LYS ASP SEQRES 3 A 137 LEU VAL LEU ASP MET THR ALA ALA MET THR ALA ALA GLY SEQRES 4 A 137 GLY ILE GLY LEU ALA GLY ASN GLN VAL GLY VAL LEU LYS SEQRES 5 A 137 ARG ILE ILE VAL LEU ARG CYS PRO THR PHE LYS GLY CYS SEQRES 6 A 137 VAL ILE ASN PRO ILE ILE THR ARG HIS THR ASP GLY HIS SEQRES 7 A 137 VAL TYR SER PRO GLU GLY CYS LEU SER TYR PRO GLY LYS SEQRES 8 A 137 THR VAL ALA LYS LYS ARG ARG ASN LYS VAL VAL VAL GLU SEQRES 9 A 137 GLY TYR ASP MET ASP TRP GLN PRO ILE THR ILE ALA ALA SEQRES 10 A 137 LYS GLY LEU THR ALA PHE CYS LEU GLN HIS GLU ILE ASP SEQRES 11 A 137 HIS LEU ASN GLY VAL THR ILE HET ZN A 1 1 HET NI A 2 1 HET BB A 2 62 ATOM 1 N MET A 1 10.668 -25.372 11.899 1.00 27.56 N ATOM 2 CA MET A 1 10.437 -26.669 12.602 1.00 27.18 C ATOM 3 C MET A 1 10.711 -27.858 11.691 1.00 26.80 C ATOM 4 O MET A 1 10.939 -27.699 10.493 1.00 26.87 O ATOM 5 CB MET A 1 9.004 -26.742 13.123 1.00 26.37 C ATOM 6 CG MET A 1 8.714 -25.773 14.235 1.00 27.09 C ATOM 7 SD MET A 1 7.014 -26.000 14.758 1.00 26.21 S ATOM 8 CE MET A 1 7.051 -25.190 16.344 1.00 28.66 C ATOM 9 HN3 MET A 1 10.036 -25.308 11.076 1.00 0.00 H ATOM 10 HN2 MET A 1 11.657 -25.322 11.582 1.00 0.00 H ATOM 11 HN1 MET A 1 10.471 -24.586 12.551 1.00 0.00 H ATOM 12 N LYS A 2 10.695 -29.053 12.268 1.00 26.55 N ATOM 13 CA LYS A 2 10.937 -30.264 11.512 1.00 27.40 C ATOM 14 C LYS A 2 9.978 -31.314 12.016 1.00 26.52 C ATOM 15 O LYS A 2 9.662 -31.363 13.205 1.00 26.37 O ATOM 16 CB LYS A 2 12.372 -30.731 11.696 1.00 28.80 C ATOM 17 H LYS A 2 10.504 -29.121 13.288 1.00 0.00 H ATOM 18 N ILE A 3 9.484 -32.135 11.101 1.00 26.32 N ATOM 19 CA ILE A 3 8.678 -33.261 11.508 1.00 25.73 C ATOM 20 C ILE A 3 9.638 -34.342 11.994 1.00 25.85 C ATOM 21 O ILE A 3 10.542 -34.771 11.268 1.00 26.18 O ATOM 22 CB ILE A 3 7.694 -33.690 10.397 1.00 26.24 C ATOM 23 CG1 ILE A 3 6.506 -32.691 10.415 1.00 26.94 C ATOM 24 CG2 ILE A 3 7.258 -35.162 10.593 1.00 26.14 C ATOM 25 CD1 ILE A 3 5.545 -32.779 9.274 1.00 30.36 C ATOM 26 H ILE A 3 9.676 -31.969 10.093 1.00 0.00 H ATOM 27 N LEU A 4 9.467 -34.729 13.257 1.00 25.45 N ATOM 28 CA LEU A 4 10.399 -35.644 13.907 1.00 26.76 C ATOM 29 C LEU A 4 10.432 -37.004 13.224 1.00 27.51 C ATOM 30 O LEU A 4 9.451 -37.413 12.601 1.00 26.53 O ATOM 31 CB LEU A 4 10.039 -35.795 15.385 1.00 26.58 C ATOM 32 CG LEU A 4 10.141 -34.541 16.255 1.00 26.80 C ATOM 33 CD1 LEU A 4 9.917 -34.915 17.716 1.00 26.61 C ATOM 34 CD2 LEU A 4 11.480 -33.815 16.077 1.00 30.28 C ATOM 35 H LEU A 4 8.650 -34.371 13.792 1.00 0.00 H ATOM 36 N LYS A 5 11.570 -37.688 13.338 1.00 29.43 N ATOM 37 CA LYS A 5 11.721 -39.038 12.807 1.00 30.41 C ATOM 38 C LYS A 5 10.752 -39.997 13.494 1.00 30.43 C ATOM 39 O LYS A 5 10.323 -39.753 14.627 1.00 30.17 O ATOM 40 CB LYS A 5 13.169 -39.519 12.968 1.00 31.88 C ATOM 41 H LYS A 5 12.377 -37.245 13.822 1.00 0.00 H ATOM 42 N ASP A 6 10.408 -41.081 12.802 1.00 30.95 N ATOM 43 CA ASP A 6 9.411 -42.045 13.290 1.00 31.29 C ATOM 44 C ASP A 6 9.778 -42.736 14.611 1.00 31.92 C ATOM 45 O ASP A 6 8.900 -43.279 15.290 1.00 32.13 O ATOM 46 CB ASP A 6 9.077 -43.085 12.205 1.00 31.59 C ATOM 47 CG ASP A 6 10.261 -43.968 11.838 1.00 34.21 C ATOM 48 OD1 ASP A 6 10.020 -44.978 11.148 1.00 36.58 O ATOM 49 OD2 ASP A 6 11.416 -43.661 12.217 1.00 36.31 O ATOM 50 H ASP A 6 10.861 -41.252 11.882 1.00 0.00 H ATOM 51 N ASP A 7 11.064 -42.706 14.968 1.00 32.61 N ATOM 52 CA ASP A 7 11.550 -43.307 16.216 1.00 33.31 C ATOM 53 C ASP A 7 11.703 -42.304 17.368 1.00 32.63 C ATOM 54 O ASP A 7 12.298 -42.611 18.398 1.00 33.35 O ATOM 55 CB ASP A 7 12.860 -44.081 15.979 1.00 34.93 C ATOM 56 CG ASP A 7 13.963 -43.225 15.351 1.00 37.16 C ATOM 57 OD1 ASP A 7 13.831 -41.978 15.296 1.00 38.37 O ATOM 58 OD2 ASP A 7 14.983 -43.814 14.916 1.00 40.41 O ATOM 59 H ASP A 7 11.747 -42.239 14.338 1.00 0.00 H ATOM 60 N ALA A 8 11.144 -41.109 17.198 1.00 30.62 N ATOM 61 CA ALA A 8 11.248 -40.059 18.213 1.00 29.97 C ATOM 62 C ALA A 8 10.386 -40.369 19.440 1.00 29.53 C ATOM 63 O ALA A 8 9.226 -40.747 19.296 1.00 28.49 O ATOM 64 CB ALA A 8 10.858 -38.706 17.618 1.00 29.03 C ATOM 65 H ALA A 8 10.619 -40.915 16.321 1.00 0.00 H ATOM 66 N PRO A 9 10.953 -40.228 20.655 1.00 29.77 N ATOM 67 CA PRO A 9 10.176 -40.481 21.877 1.00 29.30 C ATOM 68 C PRO A 9 8.977 -39.561 22.052 1.00 27.66 C ATOM 69 O PRO A 9 7.966 -39.961 22.649 1.00 27.42 O ATOM 70 CB PRO A 9 11.198 -40.238 23.001 1.00 31.19 C ATOM 71 CG PRO A 9 12.265 -39.397 22.373 1.00 31.62 C ATOM 72 CD PRO A 9 12.351 -39.873 20.965 1.00 31.31 C ATOM 73 N GLU A 10 9.090 -38.335 21.535 1.00 26.10 N ATOM 74 CA GLU A 10 8.028 -37.342 21.669 1.00 24.69 C ATOM 75 C GLU A 10 6.706 -37.841 21.102 1.00 22.55 C ATOM 76 O GLU A 10 5.639 -37.432 21.561 1.00 21.82 O ATOM 77 CB GLU A 10 8.413 -36.019 20.995 1.00 24.22 C ATOM 78 CG GLU A 10 9.523 -35.240 21.705 1.00 26.21 C ATOM 79 CD GLU A 10 10.928 -35.684 21.313 1.00 28.73 C ATOM 80 OE1 GLU A 10 11.898 -34.992 21.709 1.00 32.36 O ATOM 81 OE2 GLU A 10 11.081 -36.717 20.614 1.00 28.15 O ATOM 82 H GLU A 10 9.959 -38.080 21.023 1.00 0.00 H ATOM 83 N LEU A 11 6.788 -38.731 20.110 1.00 22.45 N ATOM 84 CA LEU A 11 5.593 -39.274 19.469 1.00 21.53 C ATOM 85 C LEU A 11 4.766 -40.155 20.395 1.00 21.52 C ATOM 86 O LEU A 11 3.576 -40.346 20.173 1.00 20.84 O ATOM 87 CB LEU A 11 5.939 -40.028 18.178 1.00 21.82 C ATOM 88 CG LEU A 11 6.436 -39.147 17.020 1.00 22.11 C ATOM 89 CD1 LEU A 11 6.994 -39.996 15.872 1.00 23.87 C ATOM 90 CD2 LEU A 11 5.344 -38.199 16.521 1.00 21.68 C ATOM 91 H LEU A 11 7.725 -39.045 19.786 1.00 0.00 H ATOM 92 N HIS A 12 5.411 -40.693 21.435 1.00 22.27 N ATOM 93 CA HIS A 12 4.725 -41.532 22.414 1.00 23.79 C ATOM 94 C HIS A 12 4.472 -40.843 23.746 1.00 24.05 C ATOM 95 O HIS A 12 3.787 -41.395 24.615 1.00 25.08 O ATOM 96 CB HIS A 12 5.533 -42.808 22.655 1.00 25.23 C ATOM 97 CG HIS A 12 5.640 -43.669 21.443 1.00 27.62 C ATOM 98 ND1 HIS A 12 4.548 -43.966 20.656 1.00 31.77 N ATOM 99 CD2 HIS A 12 6.704 -44.261 20.854 1.00 29.67 C ATOM 100 CE1 HIS A 12 4.933 -44.723 19.644 1.00 32.51 C ATOM 101 NE2 HIS A 12 6.235 -44.922 19.745 1.00 31.60 N ATOM 102 H HIS A 12 6.428 -40.509 21.550 1.00 0.00 H ATOM 103 N ALA A 13 5.039 -39.653 23.899 1.00 24.21 N ATOM 104 CA ALA A 13 4.914 -38.866 25.121 1.00 24.64 C ATOM 105 C ALA A 13 3.574 -38.138 25.193 1.00 24.27 C ATOM 106 O ALA A 13 2.928 -37.902 24.163 1.00 22.90 O ATOM 107 CB ALA A 13 6.061 -37.891 25.219 1.00 25.25 C ATOM 108 H ALA A 13 5.597 -39.264 23.113 1.00 0.00 H ATOM 109 N ILE A 14 3.158 -37.779 26.406 1.00 24.84 N ATOM 110 CA ILE A 14 1.936 -37.000 26.617 1.00 24.48 C ATOM 111 C ILE A 14 2.277 -35.514 26.606 1.00 23.79 C ATOM 112 O ILE A 14 3.179 -35.063 27.325 1.00 25.42 O ATOM 113 CB ILE A 14 1.238 -37.382 27.965 1.00 25.60 C ATOM 114 CG1 ILE A 14 0.916 -38.885 27.985 1.00 25.98 C ATOM 115 CG2 ILE A 14 -0.028 -36.531 28.200 1.00 25.67 C ATOM 116 CD1 ILE A 14 0.555 -39.459 29.366 1.00 27.89 C ATOM 117 H ILE A 14 3.721 -38.062 27.233 1.00 0.00 H ATOM 118 N ALA A 15 1.566 -34.762 25.773 1.00 21.41 N ATOM 119 CA ALA A 15 1.739 -33.316 25.704 1.00 20.96 C ATOM 120 C ALA A 15 1.077 -32.636 26.888 1.00 21.19 C ATOM 121 O ALA A 15 0.001 -33.046 27.334 1.00 21.15 O ATOM 122 CB ALA A 15 1.165 -32.792 24.406 1.00 19.26 C ATOM 123 H ALA A 15 0.866 -35.218 25.153 1.00 0.00 H ATOM 124 N ALA A 16 1.719 -31.575 27.379 1.00 21.46 N ATOM 125 CA ALA A 16 1.250 -30.869 28.570 1.00 22.52 C ATOM 126 C ALA A 16 0.231 -29.802 28.212 1.00 22.27 C ATOM 127 O ALA A 16 0.377 -29.101 27.211 1.00 21.31 O ATOM 128 CB ALA A 16 2.422 -30.234 29.307 1.00 23.62 C ATOM 129 H ALA A 16 2.579 -31.240 26.900 1.00 0.00 H ATOM 130 N GLU A 17 -0.788 -29.676 29.054 1.00 23.74 N ATOM 131 CA GLU A 17 -1.741 -28.571 28.997 1.00 24.89 C ATOM 132 C GLU A 17 -1.030 -27.229 28.865 1.00 24.61 C ATOM 133 O GLU A 17 -0.066 -26.952 29.589 1.00 25.75 O ATOM 134 CB GLU A 17 -2.557 -28.555 30.293 1.00 26.61 C ATOM 135 CG GLU A 17 -3.852 -27.783 30.199 1.00 31.08 C ATOM 136 CD GLU A 17 -5.022 -28.639 29.741 1.00 34.96 C ATOM 137 OE1 GLU A 17 -4.809 -29.812 29.343 1.00 37.16 O ATOM 138 OE2 GLU A 17 -6.168 -28.132 29.781 1.00 37.60 O ATOM 139 H GLU A 17 -0.914 -30.400 29.790 1.00 0.00 H ATOM 140 N VAL A 18 -1.507 -26.389 27.959 1.00 23.36 N ATOM 141 CA VAL A 18 -0.979 -25.037 27.850 1.00 23.75 C ATOM 142 C VAL A 18 -1.600 -24.155 28.944 1.00 25.10 C ATOM 143 O VAL A 18 -2.823 -24.074 29.037 1.00 24.63 O ATOM 144 CB VAL A 18 -1.255 -24.437 26.450 1.00 23.03 C ATOM 145 CG1 VAL A 18 -0.625 -23.062 26.315 1.00 23.27 C ATOM 146 CG2 VAL A 18 -0.718 -25.355 25.360 1.00 22.87 C ATOM 147 H VAL A 18 -2.266 -26.698 27.319 1.00 0.00 H ATOM 148 N PRO A 19 -0.759 -23.524 29.794 1.00 26.11 N ATOM 149 CA PRO A 19 -1.277 -22.619 30.824 1.00 27.40 C ATOM 150 C PRO A 19 -2.156 -21.540 30.202 1.00 27.42 C ATOM 151 O PRO A 19 -1.801 -20.969 29.165 1.00 26.60 O ATOM 152 CB PRO A 19 -0.010 -21.985 31.405 1.00 28.14 C ATOM 153 CG PRO A 19 1.058 -22.998 31.170 1.00 27.98 C ATOM 154 CD PRO A 19 0.710 -23.620 29.840 1.00 26.42 C ATOM 155 N HIS A 20 -3.294 -21.261 30.830 1.00 28.65 N ATOM 156 CA HIS A 20 -4.255 -20.342 30.244 1.00 29.20 C ATOM 157 C HIS A 20 -3.624 -18.983 29.995 1.00 29.76 C ATOM 158 O HIS A 20 -3.005 -18.404 30.886 1.00 30.60 O ATOM 159 CB HIS A 20 -5.498 -20.202 31.126 1.00 30.94 C ATOM 160 CG HIS A 20 -6.647 -19.539 30.434 1.00 32.83 C ATOM 161 ND1 HIS A 20 -7.570 -20.241 29.686 1.00 35.78 N ATOM 162 CD2 HIS A 20 -7.010 -18.237 30.357 1.00 36.48 C ATOM 163 CE1 HIS A 20 -8.460 -19.399 29.189 1.00 35.73 C ATOM 164 NE2 HIS A 20 -8.142 -18.178 29.581 1.00 37.45 N ATOM 165 H HIS A 20 -3.498 -21.704 31.748 1.00 0.00 H ATOM 166 N GLY A 21 -3.751 -18.496 28.767 1.00 29.22 N ATOM 167 CA GLY A 21 -3.257 -17.172 28.417 1.00 29.35 C ATOM 168 C GLY A 21 -1.844 -17.121 27.863 1.00 29.27 C ATOM 169 O GLY A 21 -1.401 -16.059 27.425 1.00 29.17 O ATOM 170 H GLY A 21 -4.215 -19.074 28.037 1.00 0.00 H ATOM 171 N GLU A 22 -1.133 -18.252 27.880 1.00 28.31 N ATOM 172 CA GLU A 22 0.229 -18.304 27.340 1.00 29.20 C ATOM 173 C GLU A 22 0.246 -17.897 25.876 1.00 27.99 C ATOM 174 O GLU A 22 -0.622 -18.313 25.102 1.00 27.73 O ATOM 175 CB GLU A 22 0.854 -19.697 27.494 1.00 28.34 C ATOM 176 CG GLU A 22 2.325 -19.748 27.061 1.00 30.01 C ATOM 177 CD GLU A 22 2.964 -21.101 27.288 1.00 30.26 C ATOM 178 OE1 GLU A 22 3.313 -21.768 26.293 1.00 31.70 O ATOM 179 OE2 GLU A 22 3.114 -21.491 28.466 1.00 34.55 O ATOM 180 H GLU A 22 -1.554 -19.113 28.284 1.00 0.00 H ATOM 181 N ASP A 23 1.243 -17.098 25.504 1.00 28.33 N ATOM 182 CA ASP A 23 1.406 -16.647 24.131 1.00 28.22 C ATOM 183 C ASP A 23 1.924 -17.802 23.276 1.00 27.38 C ATOM 184 O ASP A 23 3.084 -18.209 23.400 1.00 27.72 O ATOM 185 CB ASP A 23 2.349 -15.438 24.068 1.00 29.85 C ATOM 186 CG ASP A 23 2.450 -14.839 22.673 1.00 30.91 C ATOM 187 OD1 ASP A 23 2.029 -15.485 21.684 1.00 30.42 O ATOM 188 OD2 ASP A 23 2.955 -13.706 22.568 1.00 35.03 O ATOM 189 H ASP A 23 1.929 -16.785 26.220 1.00 0.00 H ATOM 190 N VAL A 24 1.046 -18.323 22.420 1.00 26.53 N ATOM 191 CA VAL A 24 1.375 -19.438 21.527 1.00 26.06 C ATOM 192 C VAL A 24 1.329 -19.038 20.049 1.00 25.71 C ATOM 193 O VAL A 24 1.385 -19.898 19.173 1.00 24.51 O ATOM 194 CB VAL A 24 0.424 -20.659 21.750 1.00 25.93 C ATOM 195 CG1 VAL A 24 0.686 -21.326 23.094 1.00 27.63 C ATOM 196 CG2 VAL A 24 -1.027 -20.242 21.616 1.00 27.67 C ATOM 197 H VAL A 24 0.087 -17.922 22.384 1.00 0.00 H ATOM 198 N LYS A 25 1.244 -17.742 19.766 1.00 25.77 N ATOM 199 CA LYS A 25 1.031 -17.288 18.390 1.00 26.73 C ATOM 200 C LYS A 25 2.125 -17.719 17.412 1.00 26.74 C ATOM 201 O LYS A 25 1.821 -18.225 16.333 1.00 25.89 O ATOM 202 CB LYS A 25 0.796 -15.780 18.347 1.00 27.61 C ATOM 203 CG LYS A 25 -0.525 -15.402 18.990 1.00 28.92 C ATOM 204 CD LYS A 25 -0.656 -13.913 19.163 1.00 32.12 C ATOM 205 CE LYS A 25 -1.906 -13.596 19.966 1.00 33.78 C ATOM 206 NZ LYS A 25 -2.217 -12.147 19.945 1.00 37.86 N ATOM 207 HZ1 LYS A 25 -1.421 -11.617 20.354 1.00 0.00 H ATOM 208 HZ2 LYS A 25 -2.371 -11.841 18.963 1.00 0.00 H ATOM 209 HZ3 LYS A 25 -3.076 -11.970 20.504 1.00 0.00 H ATOM 210 H LYS A 25 1.330 -17.042 20.531 1.00 0.00 H ATOM 211 N ASP A 26 3.389 -17.510 17.781 1.00 27.94 N ATOM 212 CA ASP A 26 4.514 -17.927 16.939 1.00 28.66 C ATOM 213 C ASP A 26 4.603 -19.446 16.784 1.00 27.25 C ATOM 214 O ASP A 26 4.910 -19.951 15.703 1.00 27.02 O ATOM 215 CB ASP A 26 5.828 -17.370 17.486 1.00 30.79 C ATOM 216 CG ASP A 26 5.969 -15.878 17.244 1.00 34.79 C ATOM 217 OD1 ASP A 26 5.551 -15.404 16.160 1.00 38.43 O ATOM 218 OD2 ASP A 26 6.501 -15.176 18.135 1.00 39.21 O ATOM 219 H ASP A 26 3.581 -17.040 18.688 1.00 0.00 H ATOM 220 N LEU A 27 4.330 -20.167 17.865 1.00 26.63 N ATOM 221 CA LEU A 27 4.318 -21.622 17.831 1.00 26.07 C ATOM 222 C LEU A 27 3.293 -22.128 16.815 1.00 24.82 C ATOM 223 O LEU A 27 3.600 -22.992 15.988 1.00 24.09 O ATOM 224 CB LEU A 27 3.998 -22.176 19.218 1.00 26.52 C ATOM 225 CG LEU A 27 4.950 -23.183 19.844 1.00 29.76 C ATOM 226 CD1 LEU A 27 4.362 -23.622 21.176 1.00 30.27 C ATOM 227 CD2 LEU A 27 5.196 -24.383 18.954 1.00 29.79 C ATOM 228 H LEU A 27 4.119 -19.679 18.759 1.00 0.00 H ATOM 229 N VAL A 28 2.081 -21.576 16.861 1.00 24.10 N ATOM 230 CA VAL A 28 1.008 -21.975 15.933 1.00 23.11 C ATOM 231 C VAL A 28 1.359 -21.632 14.473 1.00 23.25 C ATOM 232 O VAL A 28 1.106 -22.431 13.562 1.00 22.19 O ATOM 233 CB VAL A 28 -0.355 -21.354 16.343 1.00 23.52 C ATOM 234 CG1 VAL A 28 -1.416 -21.506 15.239 1.00 23.50 C ATOM 235 CG2 VAL A 28 -0.835 -21.958 17.663 1.00 24.11 C ATOM 236 H VAL A 28 1.887 -20.843 17.572 1.00 0.00 H ATOM 237 N LEU A 29 1.967 -20.465 14.258 1.00 23.42 N ATOM 238 CA LEU A 29 2.460 -20.087 12.929 1.00 24.03 C ATOM 239 C LEU A 29 3.463 -21.123 12.418 1.00 23.89 C ATOM 240 O LEU A 29 3.341 -21.615 11.281 1.00 23.35 O ATOM 241 CB LEU A 29 3.098 -18.686 12.960 1.00 25.43 C ATOM 242 CG LEU A 29 3.535 -18.090 11.620 1.00 27.38 C ATOM 243 CD1 LEU A 29 2.330 -17.881 10.698 1.00 30.22 C ATOM 244 CD2 LEU A 29 4.266 -16.778 11.858 1.00 27.85 C ATOM 245 H LEU A 29 2.095 -19.806 15.052 1.00 0.00 H ATOM 246 N ASP A 30 4.442 -21.463 13.257 1.00 23.30 N ATOM 247 CA ASP A 30 5.478 -22.434 12.891 1.00 23.01 C ATOM 248 C ASP A 30 4.868 -23.808 12.622 1.00 21.42 C ATOM 249 O ASP A 30 5.276 -24.511 11.696 1.00 20.95 O ATOM 250 CB ASP A 30 6.536 -22.567 13.992 1.00 23.25 C ATOM 251 CG ASP A 30 7.471 -21.370 14.070 1.00 26.82 C ATOM 252 OD1 ASP A 30 7.477 -20.550 13.136 1.00 28.87 O ATOM 253 OD2 ASP A 30 8.217 -21.257 15.067 1.00 31.44 O ATOM 254 H ASP A 30 4.472 -21.026 14.200 1.00 0.00 H ATOM 255 N MET A 31 3.901 -24.210 13.445 1.00 20.65 N ATOM 256 CA MET A 31 3.285 -25.526 13.273 1.00 19.46 C ATOM 257 C MET A 31 2.477 -25.607 11.981 1.00 19.19 C ATOM 258 O MET A 31 2.477 -26.623 11.283 1.00 18.66 O ATOM 259 CB MET A 31 2.400 -25.885 14.463 1.00 19.08 C ATOM 260 CG MET A 31 3.180 -26.212 15.731 1.00 18.81 C ATOM 261 SD MET A 31 2.115 -26.539 17.156 1.00 21.27 S ATOM 262 CE MET A 31 1.133 -27.889 16.557 1.00 20.69 C ATOM 263 H MET A 31 3.582 -23.586 14.213 1.00 0.00 H ATOM 264 N THR A 32 1.772 -24.526 11.678 1.00 18.47 N ATOM 265 CA THR A 32 0.988 -24.451 10.458 1.00 19.79 C ATOM 266 C THR A 32 1.930 -24.545 9.251 1.00 19.98 C ATOM 267 O THR A 32 1.663 -25.296 8.309 1.00 20.51 O ATOM 268 CB THR A 32 0.143 -23.154 10.437 1.00 19.99 C ATOM 269 OG1 THR A 32 -0.697 -23.129 11.609 1.00 20.65 O ATOM 270 CG2 THR A 32 -0.732 -23.077 9.170 1.00 21.80 C ATOM 271 HG1 THR A 32 -0.130 -23.148 12.420 1.00 0.00 H ATOM 272 H THR A 32 1.781 -23.714 12.328 1.00 0.00 H ATOM 273 N ALA A 33 3.051 -23.828 9.310 1.00 20.49 N ATOM 274 CA ALA A 33 4.057 -23.878 8.249 1.00 21.30 C ATOM 275 C ALA A 33 4.643 -25.279 8.085 1.00 20.55 C ATOM 276 O ALA A 33 4.850 -25.729 6.967 1.00 20.44 O ATOM 277 CB ALA A 33 5.160 -22.842 8.502 1.00 22.39 C ATOM 278 H ALA A 33 3.216 -23.215 10.134 1.00 0.00 H ATOM 279 N ALA A 34 4.880 -25.984 9.194 1.00 19.27 N ATOM 280 CA ALA A 34 5.408 -27.350 9.107 1.00 18.63 C ATOM 281 C ALA A 34 4.377 -28.290 8.488 1.00 18.54 C ATOM 282 O ALA A 34 4.707 -29.170 7.685 1.00 18.98 O ATOM 283 CB ALA A 34 5.823 -27.865 10.493 1.00 18.75 C ATOM 284 H ALA A 34 4.689 -25.562 10.125 1.00 0.00 H ATOM 285 N MET A 35 3.119 -28.095 8.873 1.00 18.13 N ATOM 286 CA MET A 35 2.037 -28.930 8.363 1.00 18.28 C ATOM 287 C MET A 35 1.892 -28.792 6.851 1.00 18.75 C ATOM 288 O MET A 35 1.830 -29.797 6.134 1.00 19.50 O ATOM 289 CB MET A 35 0.722 -28.555 9.047 1.00 18.38 C ATOM 290 CG MET A 35 -0.488 -29.259 8.451 1.00 18.64 C ATOM 291 SD MET A 35 -2.060 -28.699 9.133 1.00 18.89 S ATOM 292 CE MET A 35 -2.057 -26.983 8.622 1.00 22.51 C ATOM 293 H MET A 35 2.903 -27.335 9.549 1.00 0.00 H ATOM 294 N THR A 36 1.834 -27.557 6.363 1.00 18.96 N ATOM 295 CA THR A 36 1.654 -27.384 4.934 1.00 19.92 C ATOM 296 C THR A 36 2.899 -27.794 4.150 1.00 20.06 C ATOM 297 O THR A 36 2.776 -28.346 3.058 1.00 20.52 O ATOM 298 CB THR A 36 1.202 -25.978 4.568 1.00 21.15 C ATOM 299 OG1 THR A 36 2.237 -25.033 4.853 1.00 21.91 O ATOM 300 CG2 THR A 36 -0.056 -25.610 5.343 1.00 22.22 C ATOM 301 HG1 THR A 36 1.929 -24.124 4.610 1.00 0.00 H ATOM 302 H THR A 36 1.916 -26.733 6.992 1.00 0.00 H ATOM 303 N ALA A 37 4.089 -27.542 4.706 1.00 20.51 N ATOM 304 CA ALA A 37 5.337 -27.926 4.028 1.00 21.22 C ATOM 305 C ALA A 37 5.419 -29.436 3.811 1.00 21.23 C ATOM 306 O ALA A 37 5.980 -29.882 2.806 1.00 21.21 O ATOM 307 CB ALA A 37 6.564 -27.450 4.820 1.00 21.73 C ATOM 308 H ALA A 37 4.133 -27.068 5.631 1.00 0.00 H ATOM 309 N ALA A 38 4.881 -30.204 4.763 1.00 20.76 N ATOM 310 CA ALA A 38 4.887 -31.666 4.697 1.00 21.89 C ATOM 311 C ALA A 38 3.671 -32.259 3.975 1.00 22.18 C ATOM 312 O ALA A 38 3.569 -33.484 3.809 1.00 23.56 O ATOM 313 CB ALA A 38 5.006 -32.249 6.093 1.00 21.46 C ATOM 314 H ALA A 38 4.440 -29.744 5.585 1.00 0.00 H ATOM 315 N GLY A 39 2.741 -31.400 3.573 1.00 22.72 N ATOM 316 CA GLY A 39 1.560 -31.827 2.822 1.00 23.08 C ATOM 317 C GLY A 39 0.478 -32.474 3.664 1.00 22.87 C ATOM 318 O GLY A 39 -0.263 -33.345 3.177 1.00 23.54 O ATOM 319 H GLY A 39 2.856 -30.391 3.799 1.00 0.00 H ATOM 320 N GLY A 40 0.362 -32.048 4.914 1.00 21.32 N ATOM 321 CA GLY A 40 -0.645 -32.633 5.802 1.00 20.32 C ATOM 322 C GLY A 40 -1.899 -31.794 5.917 1.00 20.91 C ATOM 323 O GLY A 40 -1.907 -30.627 5.492 1.00 21.46 O ATOM 324 H GLY A 40 0.988 -31.296 5.265 1.00 0.00 H ATOM 325 N ILE A 41 -2.962 -32.395 6.454 1.00 19.65 N ATOM 326 CA ILE A 41 -4.207 -31.657 6.740 1.00 20.11 C ATOM 327 C ILE A 41 -4.415 -31.436 8.241 1.00 19.09 C ATOM 328 O ILE A 41 -5.401 -30.845 8.665 1.00 19.18 O ATOM 329 CB ILE A 41 -5.462 -32.308 6.089 1.00 20.98 C ATOM 330 CG1 ILE A 41 -5.681 -33.733 6.609 1.00 21.26 C ATOM 331 CG2 ILE A 41 -5.344 -32.275 4.573 1.00 22.68 C ATOM 332 CD1 ILE A 41 -6.983 -34.374 6.139 1.00 23.03 C ATOM 333 H ILE A 41 -2.912 -33.410 6.677 1.00 0.00 H ATOM 334 N GLY A 42 -3.460 -31.905 9.039 1.00 17.25 N ATOM 335 CA GLY A 42 -3.442 -31.646 10.479 1.00 17.28 C ATOM 336 C GLY A 42 -2.045 -31.856 11.005 1.00 16.92 C ATOM 337 O GLY A 42 -1.212 -32.452 10.328 1.00 16.66 O ATOM 338 H GLY A 42 -2.697 -32.477 8.624 1.00 0.00 H ATOM 339 N LEU A 43 -1.789 -31.343 12.209 1.00 16.18 N ATOM 340 CA LEU A 43 -0.524 -31.563 12.887 1.00 17.19 C ATOM 341 C LEU A 43 -0.718 -31.317 14.368 1.00 16.31 C ATOM 342 O LEU A 43 -1.542 -30.491 14.763 1.00 16.76 O ATOM 343 CB LEU A 43 0.573 -30.644 12.321 1.00 17.28 C ATOM 344 CG LEU A 43 2.023 -31.031 12.624 1.00 18.85 C ATOM 345 CD1 LEU A 43 2.408 -32.223 11.739 1.00 22.61 C ATOM 346 CD2 LEU A 43 2.970 -29.874 12.341 1.00 21.86 C ATOM 347 H LEU A 43 -2.518 -30.767 12.677 1.00 0.00 H ATOM 348 N ALA A 44 0.037 -32.049 15.181 1.00 16.18 N ATOM 349 CA ALA A 44 -0.008 -31.934 16.633 1.00 15.79 C ATOM 350 C ALA A 44 1.374 -31.573 17.158 1.00 15.77 C ATOM 351 O ALA A 44 2.387 -31.944 16.557 1.00 16.19 O ATOM 352 CB ALA A 44 -0.447 -33.262 17.236 1.00 15.73 C ATOM 353 H ALA A 44 0.692 -32.738 14.760 1.00 0.00 H ATOM 354 N GLY A 45 1.412 -30.903 18.306 1.00 16.05 N ATOM 355 CA GLY A 45 2.678 -30.475 18.890 1.00 17.11 C ATOM 356 C GLY A 45 3.724 -31.571 18.929 1.00 17.62 C ATOM 357 O GLY A 45 4.875 -31.344 18.549 1.00 18.14 O ATOM 358 H GLY A 45 0.522 -30.680 18.796 1.00 0.00 H ATOM 359 N ASN A 46 3.335 -32.764 19.378 1.00 17.49 N ATOM 360 CA ASN A 46 4.323 -33.836 19.531 1.00 17.96 C ATOM 361 C ASN A 46 5.131 -34.057 18.266 1.00 18.28 C ATOM 362 O ASN A 46 6.331 -34.366 18.340 1.00 18.68 O ATOM 363 CB ASN A 46 3.669 -35.169 19.903 1.00 18.52 C ATOM 364 CG ASN A 46 2.842 -35.082 21.153 1.00 18.17 C ATOM 365 OD1 ASN A 46 1.916 -34.268 21.247 1.00 18.37 O ATOM 366 ND2 ASN A 46 3.123 -35.978 22.107 1.00 20.46 N ATOM 367 HD22 ASN A 46 3.913 -36.642 21.980 1.00 0.00 H ATOM 368 HD21 ASN A 46 2.551 -36.010 22.975 1.00 0.00 H ATOM 369 H ASN A 46 2.337 -32.933 19.618 1.00 0.00 H ATOM 370 N GLN A 47 4.485 -33.883 17.108 1.00 18.02 N ATOM 371 CA GLN A 47 5.127 -34.244 15.834 1.00 18.14 C ATOM 372 C GLN A 47 6.294 -33.347 15.452 1.00 18.63 C ATOM 373 O GLN A 47 7.120 -33.726 14.611 1.00 18.89 O ATOM 374 CB GLN A 47 4.123 -34.231 14.698 1.00 17.60 C ATOM 375 CG GLN A 47 3.059 -35.290 14.827 1.00 17.43 C ATOM 376 CD GLN A 47 2.055 -35.173 13.707 1.00 18.21 C ATOM 377 OE1 GLN A 47 1.159 -34.331 13.749 1.00 18.30 O ATOM 378 NE2 GLN A 47 2.215 -35.997 12.679 1.00 18.30 N ATOM 379 HE22 GLN A 47 2.987 -36.694 12.686 1.00 0.00 H ATOM 380 HE21 GLN A 47 1.568 -35.946 11.866 1.00 0.00 H ATOM 381 H GLN A 47 3.522 -33.490 17.108 1.00 0.00 H ATOM 382 N VAL A 48 6.334 -32.160 16.050 1.00 19.18 N ATOM 383 CA VAL A 48 7.419 -31.208 15.801 1.00 20.48 C ATOM 384 C VAL A 48 8.272 -31.015 17.063 1.00 21.53 C ATOM 385 O VAL A 48 9.052 -30.065 17.166 1.00 22.75 O ATOM 386 CB VAL A 48 6.903 -29.849 15.235 1.00 20.13 C ATOM 387 CG1 VAL A 48 6.395 -30.015 13.790 1.00 21.83 C ATOM 388 CG2 VAL A 48 5.820 -29.247 16.142 1.00 20.99 C ATOM 389 H VAL A 48 5.575 -31.901 16.712 1.00 0.00 H ATOM 390 N GLY A 49 8.099 -31.927 18.019 1.00 21.15 N ATOM 391 CA GLY A 49 8.879 -31.932 19.257 1.00 22.87 C ATOM 392 C GLY A 49 8.419 -30.945 20.308 1.00 23.61 C ATOM 393 O GLY A 49 9.163 -30.648 21.255 1.00 24.03 O ATOM 394 H GLY A 49 7.380 -32.666 17.880 1.00 0.00 H ATOM 395 N VAL A 50 7.200 -30.426 20.146 1.00 22.73 N ATOM 396 CA VAL A 50 6.599 -29.503 21.113 1.00 23.41 C ATOM 397 C VAL A 50 5.564 -30.252 21.961 1.00 22.07 C ATOM 398 O VAL A 50 4.467 -30.575 21.493 1.00 20.76 O ATOM 399 CB VAL A 50 5.965 -28.281 20.418 1.00 23.14 C ATOM 400 CG1 VAL A 50 5.315 -27.346 21.450 1.00 25.83 C ATOM 401 CG2 VAL A 50 7.020 -27.520 19.609 1.00 25.73 C ATOM 402 H VAL A 50 6.655 -30.687 19.300 1.00 0.00 H ATOM 403 N LEU A 51 5.931 -30.550 23.207 1.00 22.29 N ATOM 404 CA LEU A 51 5.067 -31.323 24.093 1.00 21.33 C ATOM 405 C LEU A 51 4.058 -30.418 24.802 1.00 21.10 C ATOM 406 O LEU A 51 4.002 -30.343 26.034 1.00 21.99 O ATOM 407 CB LEU A 51 5.896 -32.172 25.075 1.00 23.02 C ATOM 408 CG LEU A 51 6.662 -33.347 24.436 1.00 23.71 C ATOM 409 CD1 LEU A 51 7.503 -34.079 25.480 1.00 27.44 C ATOM 410 CD2 LEU A 51 5.733 -34.327 23.727 1.00 24.81 C ATOM 411 H LEU A 51 6.855 -30.224 23.556 1.00 0.00 H ATOM 412 N LYS A 52 3.259 -29.731 23.987 1.00 20.00 N ATOM 413 CA LYS A 52 2.195 -28.843 24.454 1.00 20.22 C ATOM 414 C LYS A 52 0.935 -29.215 23.690 1.00 18.55 C ATOM 415 O LYS A 52 1.016 -29.608 22.522 1.00 18.04 O ATOM 416 CB LYS A 52 2.539 -27.374 24.178 1.00 20.60 C ATOM 417 CG LYS A 52 3.764 -26.892 24.944 1.00 24.05 C ATOM 418 CD LYS A 52 4.177 -25.490 24.526 1.00 28.68 C ATOM 419 CE LYS A 52 4.933 -24.795 25.641 1.00 33.44 C ATOM 420 NZ LYS A 52 3.999 -24.398 26.731 1.00 35.72 N ATOM 421 HZ1 LYS A 52 3.281 -23.749 26.351 1.00 0.00 H ATOM 422 HZ2 LYS A 52 3.534 -25.246 27.113 1.00 0.00 H ATOM 423 HZ3 LYS A 52 4.532 -23.923 27.487 1.00 0.00 H ATOM 424 H LYS A 52 3.400 -29.832 22.962 1.00 0.00 H ATOM 425 N ARG A 53 -0.222 -29.054 24.331 1.00 18.65 N ATOM 426 CA ARG A 53 -1.493 -29.524 23.755 1.00 18.21 C ATOM 427 C ARG A 53 -2.047 -28.509 22.778 1.00 17.92 C ATOM 428 O ARG A 53 -2.943 -27.725 23.099 1.00 17.77 O ATOM 429 CB ARG A 53 -2.498 -29.907 24.846 1.00 19.13 C ATOM 430 CG ARG A 53 -1.944 -31.035 25.709 1.00 19.46 C ATOM 431 CD ARG A 53 -2.934 -31.578 26.730 1.00 19.45 C ATOM 432 NE ARG A 53 -3.908 -32.493 26.135 1.00 18.77 N ATOM 433 CZ ARG A 53 -3.677 -33.779 25.879 1.00 18.98 C ATOM 434 NH1 ARG A 53 -2.490 -34.312 26.164 1.00 20.16 N ATOM 435 NH2 ARG A 53 -4.632 -34.539 25.334 1.00 19.43 N ATOM 436 HE ARG A 53 -4.846 -32.113 25.895 1.00 0.00 H ATOM 437 HH12 ARG A 53 -2.310 -35.317 25.964 1.00 0.00 H ATOM 438 HH11 ARG A 53 -1.744 -33.724 26.586 1.00 0.00 H ATOM 439 HH22 ARG A 53 -4.448 -35.543 25.136 1.00 0.00 H ATOM 440 HH21 ARG A 53 -5.560 -34.126 25.108 1.00 0.00 H ATOM 441 H ARG A 53 -0.227 -28.586 25.260 1.00 0.00 H ATOM 442 N ILE A 54 -1.470 -28.549 21.580 1.00 16.74 N ATOM 443 CA ILE A 54 -1.807 -27.638 20.490 1.00 17.68 C ATOM 444 C ILE A 54 -1.939 -28.463 19.220 1.00 16.77 C ATOM 445 O ILE A 54 -1.069 -29.292 18.935 1.00 16.59 O ATOM 446 CB ILE A 54 -0.704 -26.580 20.266 1.00 17.72 C ATOM 447 CG1 ILE A 54 -0.482 -25.733 21.523 1.00 19.40 C ATOM 448 CG2 ILE A 54 -1.065 -25.670 19.078 1.00 19.80 C ATOM 449 CD1 ILE A 54 0.727 -24.805 21.425 1.00 21.34 C ATOM 450 H ILE A 54 -0.739 -29.269 21.411 1.00 0.00 H ATOM 451 N ILE A 55 -3.023 -28.254 18.479 1.00 16.35 N ATOM 452 CA ILE A 55 -3.173 -28.885 17.179 1.00 16.27 C ATOM 453 C ILE A 55 -3.490 -27.818 16.138 1.00 16.07 C ATOM 454 O ILE A 55 -4.038 -26.760 16.463 1.00 17.16 O ATOM 455 CB ILE A 55 -4.248 -29.992 17.185 1.00 16.39 C ATOM 456 CG1 ILE A 55 -5.653 -29.436 17.484 1.00 16.93 C ATOM 457 CG2 ILE A 55 -3.866 -31.101 18.168 1.00 16.55 C ATOM 458 CD1 ILE A 55 -6.791 -30.477 17.409 1.00 16.75 C ATOM 459 H ILE A 55 -3.775 -27.630 18.835 1.00 0.00 H ATOM 460 N VAL A 56 -3.128 -28.091 14.888 1.00 16.13 N ATOM 461 CA VAL A 56 -3.512 -27.230 13.764 1.00 17.04 C ATOM 462 C VAL A 56 -4.154 -28.094 12.681 1.00 17.16 C ATOM 463 O VAL A 56 -3.813 -29.269 12.544 1.00 16.73 O ATOM 464 CB VAL A 56 -2.310 -26.402 13.206 1.00 17.68 C ATOM 465 CG1 VAL A 56 -1.820 -25.379 14.232 1.00 19.13 C ATOM 466 CG2 VAL A 56 -1.160 -27.297 12.765 1.00 18.35 C ATOM 467 H VAL A 56 -2.556 -28.939 14.702 1.00 0.00 H ATOM 468 N LEU A 57 -5.106 -27.529 11.942 1.00 18.14 N ATOM 469 CA LEU A 57 -5.874 -28.311 10.984 1.00 19.59 C ATOM 470 C LEU A 57 -6.142 -27.518 9.736 1.00 19.71 C ATOM 471 O LEU A 57 -6.280 -26.294 9.791 1.00 19.24 O ATOM 472 CB LEU A 57 -7.240 -28.712 11.571 1.00 21.21 C ATOM 473 CG LEU A 57 -7.375 -29.866 12.556 1.00 24.89 C ATOM 474 CD1 LEU A 57 -7.297 -29.294 13.964 1.00 26.56 C ATOM 475 CD2 LEU A 57 -8.718 -30.536 12.313 1.00 27.95 C ATOM 476 H LEU A 57 -5.304 -26.514 12.051 1.00 0.00 H ATOM 477 N ARG A 58 -6.249 -28.228 8.618 1.00 19.84 N ATOM 478 CA ARG A 58 -6.764 -27.637 7.386 1.00 22.09 C ATOM 479 C ARG A 58 -7.687 -28.671 6.756 1.00 22.75 C ATOM 480 O ARG A 58 -7.378 -29.278 5.736 1.00 23.29 O ATOM 481 CB ARG A 58 -5.621 -27.223 6.449 1.00 23.90 C ATOM 482 CG ARG A 58 -4.822 -28.396 5.914 1.00 26.88 C ATOM 483 CD ARG A 58 -3.380 -28.051 5.644 1.00 35.45 C ATOM 484 NE ARG A 58 -3.228 -27.323 4.400 1.00 37.45 N ATOM 485 CZ ARG A 58 -2.397 -27.665 3.411 1.00 38.38 C ATOM 486 NH1 ARG A 58 -1.615 -28.735 3.502 1.00 37.81 N ATOM 487 NH2 ARG A 58 -2.348 -26.910 2.326 1.00 37.73 N ATOM 488 HE ARG A 58 -3.809 -26.471 4.267 1.00 0.00 H ATOM 489 HH12 ARG A 58 -0.977 -28.981 2.719 1.00 0.00 H ATOM 490 HH11 ARG A 58 -1.641 -29.327 4.357 1.00 0.00 H ATOM 491 HH22 ARG A 58 -1.707 -27.161 1.546 1.00 0.00 H ATOM 492 HH21 ARG A 58 -2.950 -26.065 2.253 1.00 0.00 H ATOM 493 H ARG A 58 -5.960 -29.227 8.620 1.00 0.00 H ATOM 494 N CYS A 59 -8.812 -28.903 7.417 1.00 22.97 N ATOM 495 CA CYS A 59 -9.755 -29.938 7.021 1.00 23.81 C ATOM 496 C CYS A 59 -11.009 -29.342 6.392 1.00 24.62 C ATOM 497 O CYS A 59 -11.225 -28.135 6.488 1.00 25.43 O ATOM 498 CB CYS A 59 -10.106 -30.777 8.235 1.00 23.72 C ATOM 499 SG CYS A 59 -8.722 -31.819 8.677 1.00 25.80 S ATOM 500 H CYS A 59 -9.029 -28.322 8.252 1.00 0.00 H ATOM 501 N PRO A 60 -11.832 -30.180 5.722 1.00 25.05 N ATOM 502 CA PRO A 60 -13.008 -29.664 5.004 1.00 26.49 C ATOM 503 C PRO A 60 -13.920 -28.717 5.792 1.00 26.91 C ATOM 504 O PRO A 60 -14.433 -27.762 5.202 1.00 28.79 O ATOM 505 CB PRO A 60 -13.757 -30.938 4.596 1.00 27.22 C ATOM 506 CG PRO A 60 -12.672 -31.958 4.451 1.00 26.78 C ATOM 507 CD PRO A 60 -11.690 -31.641 5.549 1.00 24.90 C ATOM 508 N THR A 61 -14.134 -28.955 7.089 1.00 25.91 N ATOM 509 CA THR A 61 -15.053 -28.074 7.829 1.00 26.49 C ATOM 510 C THR A 61 -14.394 -27.321 8.982 1.00 25.76 C ATOM 511 O THR A 61 -15.066 -26.606 9.732 1.00 26.80 O ATOM 512 CB THR A 61 -16.338 -28.802 8.310 1.00 27.29 C ATOM 513 OG1 THR A 61 -16.010 -29.773 9.312 1.00 25.93 O ATOM 514 CG2 THR A 61 -17.057 -29.477 7.138 1.00 27.76 C ATOM 515 HG1 THR A 61 -16.836 -30.230 9.610 1.00 0.00 H ATOM 516 H THR A 61 -13.660 -29.748 7.567 1.00 0.00 H ATOM 517 N PHE A 62 -13.081 -27.475 9.124 1.00 24.06 N ATOM 518 CA PHE A 62 -12.332 -26.660 10.084 1.00 23.45 C ATOM 519 C PHE A 62 -10.892 -26.402 9.668 1.00 22.94 C ATOM 520 O PHE A 62 -10.140 -27.336 9.412 1.00 21.74 O ATOM 521 CB PHE A 62 -12.362 -27.260 11.500 1.00 23.46 C ATOM 522 CG PHE A 62 -11.698 -26.384 12.526 1.00 22.92 C ATOM 523 CD1 PHE A 62 -10.383 -26.637 12.922 1.00 22.27 C ATOM 524 CD2 PHE A 62 -12.356 -25.276 13.057 1.00 24.04 C ATOM 525 CE1 PHE A 62 -9.748 -25.824 13.850 1.00 22.92 C ATOM 526 CE2 PHE A 62 -11.726 -24.453 13.992 1.00 24.36 C ATOM 527 CZ PHE A 62 -10.420 -24.729 14.387 1.00 23.38 C ATOM 528 H PHE A 62 -12.580 -28.181 8.548 1.00 0.00 H ATOM 529 N LYS A 63 -10.525 -25.129 9.616 1.00 23.84 N ATOM 530 CA LYS A 63 -9.159 -24.697 9.347 1.00 23.68 C ATOM 531 C LYS A 63 -8.723 -23.740 10.454 1.00 23.44 C ATOM 532 O LYS A 63 -9.380 -22.729 10.708 1.00 25.08 O ATOM 533 CB LYS A 63 -9.070 -24.027 7.975 1.00 24.97 C ATOM 534 H LYS A 63 -11.250 -24.400 9.776 1.00 0.00 H ATOM 535 N GLY A 64 -7.632 -24.069 11.132 1.00 21.99 N ATOM 536 CA GLY A 64 -7.124 -23.226 12.204 1.00 22.11 C ATOM 537 C GLY A 64 -6.525 -24.063 13.314 1.00 20.91 C ATOM 538 O GLY A 64 -6.244 -25.249 13.132 1.00 20.48 O ATOM 539 H GLY A 64 -7.129 -24.947 10.893 1.00 0.00 H ATOM 540 N CYS A 65 -6.357 -23.442 14.476 1.00 21.29 N ATOM 541 CA CYS A 65 -5.729 -24.091 15.605 1.00 21.22 C ATOM 542 C CYS A 65 -6.734 -24.416 16.703 1.00 20.19 C ATOM 543 O CYS A 65 -7.825 -23.829 16.761 1.00 21.69 O ATOM 544 CB CYS A 65 -4.590 -23.223 16.159 1.00 21.72 C ATOM 545 SG CYS A 65 -5.092 -21.631 16.870 1.00 28.53 S ATOM 546 H CYS A 65 -6.687 -22.461 14.577 1.00 0.00 H ATOM 547 N VAL A 66 -6.368 -25.377 17.555 1.00 18.82 N ATOM 548 CA VAL A 66 -7.088 -25.588 18.811 1.00 18.85 C ATOM 549 C VAL A 66 -6.067 -25.752 19.926 1.00 18.61 C ATOM 550 O VAL A 66 -5.170 -26.596 19.840 1.00 18.38 O ATOM 551 CB VAL A 66 -8.043 -26.802 18.794 1.00 18.72 C ATOM 552 CG1 VAL A 66 -8.966 -26.767 20.021 1.00 19.06 C ATOM 553 CG2 VAL A 66 -8.870 -26.868 17.499 1.00 20.02 C ATOM 554 H VAL A 66 -5.558 -25.986 17.322 1.00 0.00 H ATOM 555 N ILE A 67 -6.194 -24.921 20.961 1.00 19.14 N ATOM 556 CA ILE A 67 -5.327 -25.016 22.134 1.00 19.86 C ATOM 557 C ILE A 67 -6.090 -25.795 23.191 1.00 19.85 C ATOM 558 O ILE A 67 -7.276 -25.529 23.415 1.00 19.61 O ATOM 559 CB ILE A 67 -4.942 -23.625 22.687 1.00 21.07 C ATOM 560 CG1 ILE A 67 -4.401 -22.732 21.566 1.00 22.77 C ATOM 561 CG2 ILE A 67 -3.924 -23.764 23.819 1.00 22.32 C ATOM 562 CD1 ILE A 67 -4.166 -21.307 21.985 1.00 27.52 C ATOM 563 H ILE A 67 -6.929 -24.186 20.933 1.00 0.00 H ATOM 564 N ASN A 68 -5.415 -26.751 23.829 1.00 19.59 N ATOM 565 CA ASN A 68 -6.035 -27.634 24.822 1.00 19.26 C ATOM 566 C ASN A 68 -7.319 -28.308 24.324 1.00 19.22 C ATOM 567 O ASN A 68 -8.344 -28.277 25.004 1.00 20.36 O ATOM 568 CB ASN A 68 -6.255 -26.885 26.148 1.00 20.08 C ATOM 569 CG ASN A 68 -4.952 -26.406 26.757 1.00 20.95 C ATOM 570 OD1 ASN A 68 -3.893 -26.974 26.500 1.00 21.90 O ATOM 571 ND2 ASN A 68 -5.019 -25.330 27.543 1.00 22.28 N ATOM 572 HD22 ASN A 68 -5.938 -24.881 27.733 1.00 0.00 H ATOM 573 HD21 ASN A 68 -4.152 -24.940 27.965 1.00 0.00 H ATOM 574 H ASN A 68 -4.405 -26.876 23.613 1.00 0.00 H ATOM 575 N PRO A 69 -7.259 -28.952 23.141 1.00 18.54 N ATOM 576 CA PRO A 69 -8.466 -29.579 22.609 1.00 18.80 C ATOM 577 C PRO A 69 -8.930 -30.762 23.445 1.00 20.13 C ATOM 578 O PRO A 69 -8.118 -31.580 23.906 1.00 19.93 O ATOM 579 CB PRO A 69 -8.017 -30.107 21.246 1.00 18.54 C ATOM 580 CG PRO A 69 -6.559 -30.330 21.404 1.00 18.25 C ATOM 581 CD PRO A 69 -6.091 -29.195 22.272 1.00 18.22 C ATOM 582 N ILE A 70 -10.242 -30.854 23.610 1.00 20.28 N ATOM 583 CA ILE A 70 -10.871 -31.973 24.305 1.00 21.93 C ATOM 584 C ILE A 70 -12.125 -32.394 23.540 1.00 21.52 C ATOM 585 O ILE A 70 -12.834 -31.553 22.988 1.00 21.66 O ATOM 586 CB ILE A 70 -11.225 -31.617 25.770 1.00 23.25 C ATOM 587 CG1 ILE A 70 -12.072 -30.350 25.837 1.00 24.75 C ATOM 588 CG2 ILE A 70 -9.964 -31.414 26.599 1.00 24.55 C ATOM 589 CD1 ILE A 70 -12.692 -30.074 27.219 1.00 25.76 C ATOM 590 H ILE A 70 -10.847 -30.099 23.229 1.00 0.00 H ATOM 591 N ILE A 71 -12.365 -33.700 23.472 1.00 20.85 N ATOM 592 CA ILE A 71 -13.585 -34.232 22.869 1.00 21.27 C ATOM 593 C ILE A 71 -14.665 -34.289 23.944 1.00 22.44 C ATOM 594 O ILE A 71 -14.527 -34.993 24.946 1.00 22.50 O ATOM 595 CB ILE A 71 -13.362 -35.633 22.244 1.00 21.32 C ATOM 596 CG1 ILE A 71 -12.408 -35.517 21.052 1.00 21.15 C ATOM 597 CG2 ILE A 71 -14.698 -36.253 21.802 1.00 22.65 C ATOM 598 CD1 ILE A 71 -11.845 -36.852 20.575 1.00 23.48 C ATOM 599 H ILE A 71 -11.663 -34.363 23.860 1.00 0.00 H ATOM 600 N THR A 72 -15.727 -33.516 23.754 1.00 22.19 N ATOM 601 CA THR A 72 -16.770 -33.425 24.774 1.00 23.55 C ATOM 602 C THR A 72 -18.014 -34.237 24.448 1.00 24.08 C ATOM 603 O THR A 72 -18.823 -34.498 25.336 1.00 25.25 O ATOM 604 CB THR A 72 -17.173 -31.978 25.036 1.00 24.19 C ATOM 605 OG1 THR A 72 -17.648 -31.385 23.820 1.00 24.19 O ATOM 606 CG2 THR A 72 -15.974 -31.199 25.571 1.00 24.14 C ATOM 607 HG1 THR A 72 -17.909 -30.446 23.992 1.00 0.00 H ATOM 608 H THR A 72 -15.818 -32.971 22.873 1.00 0.00 H ATOM 609 N ARG A 73 -18.164 -34.624 23.183 1.00 24.39 N ATOM 610 CA ARG A 73 -19.293 -35.437 22.734 1.00 25.92 C ATOM 611 C ARG A 73 -18.856 -36.223 21.507 1.00 25.06 C ATOM 612 O ARG A 73 -18.059 -35.736 20.714 1.00 24.28 O ATOM 613 CB ARG A 73 -20.506 -34.553 22.399 1.00 28.04 C ATOM 614 CG ARG A 73 -21.848 -35.271 22.307 1.00 32.75 C ATOM 615 CD ARG A 73 -23.018 -34.340 22.689 1.00 40.26 C ATOM 616 NE ARG A 73 -23.310 -33.341 21.659 1.00 43.54 N ATOM 617 CZ ARG A 73 -22.947 -32.061 21.706 1.00 44.48 C ATOM 618 NH1 ARG A 73 -22.271 -31.587 22.744 1.00 46.10 N ATOM 619 NH2 ARG A 73 -23.267 -31.247 20.705 1.00 45.40 N ATOM 620 HE ARG A 73 -23.844 -33.657 20.824 1.00 0.00 H ATOM 621 HH12 ARG A 73 -21.993 -30.585 22.770 1.00 0.00 H ATOM 622 HH11 ARG A 73 -22.019 -32.217 23.532 1.00 0.00 H ATOM 623 HH22 ARG A 73 -22.985 -30.246 20.738 1.00 0.00 H ATOM 624 HH21 ARG A 73 -23.799 -31.611 19.889 1.00 0.00 H ATOM 625 H ARG A 73 -17.448 -34.336 22.485 1.00 0.00 H ATOM 626 N HIS A 74 -19.358 -37.448 21.370 1.00 25.55 N ATOM 627 CA HIS A 74 -19.114 -38.247 20.168 1.00 24.77 C ATOM 628 C HIS A 74 -20.261 -39.226 19.954 1.00 26.00 C ATOM 629 O HIS A 74 -20.994 -39.548 20.889 1.00 26.27 O ATOM 630 CB HIS A 74 -17.790 -39.021 20.262 1.00 24.29 C ATOM 631 CG HIS A 74 -17.743 -39.985 21.405 1.00 24.32 C ATOM 632 ND1 HIS A 74 -18.293 -41.247 21.339 1.00 24.45 N ATOM 633 CD2 HIS A 74 -17.242 -39.857 22.657 1.00 26.03 C ATOM 634 CE1 HIS A 74 -18.123 -41.862 22.495 1.00 27.28 C ATOM 635 NE2 HIS A 74 -17.487 -41.041 23.313 1.00 25.91 N ATOM 636 H HIS A 74 -19.938 -37.847 22.136 1.00 0.00 H ATOM 637 N THR A 75 -20.389 -39.701 18.720 1.00 26.24 N ATOM 638 CA THR A 75 -21.343 -40.754 18.388 1.00 28.31 C ATOM 639 C THR A 75 -20.879 -42.103 18.936 1.00 28.32 C ATOM 640 O THR A 75 -19.681 -42.329 19.153 1.00 26.83 O ATOM 641 CB THR A 75 -21.560 -40.869 16.864 1.00 28.37 C ATOM 642 OG1 THR A 75 -20.299 -40.764 16.184 1.00 28.73 O ATOM 643 CG2 THR A 75 -22.503 -39.771 16.382 1.00 30.09 C ATOM 644 HG1 THR A 75 -19.701 -41.493 16.486 1.00 0.00 H ATOM 645 H THR A 75 -19.790 -39.309 17.966 1.00 0.00 H ATOM 646 N ASP A 76 -21.842 -42.990 19.167 1.00 30.66 N ATOM 647 CA ASP A 76 -21.556 -44.369 19.560 1.00 31.57 C ATOM 648 C ASP A 76 -21.076 -45.162 18.352 1.00 31.24 C ATOM 649 O ASP A 76 -21.309 -44.768 17.203 1.00 31.13 O ATOM 650 CB ASP A 76 -22.802 -45.029 20.171 1.00 34.02 C ATOM 651 CG ASP A 76 -23.223 -44.389 21.482 1.00 37.07 C ATOM 652 OD1 ASP A 76 -22.339 -43.914 22.230 1.00 40.04 O ATOM 653 OD2 ASP A 76 -24.439 -44.370 21.769 1.00 41.72 O ATOM 654 H ASP A 76 -22.833 -42.693 19.065 1.00 0.00 H ATOM 655 N GLY A 77 -20.401 -46.279 18.614 1.00 30.83 N ATOM 656 CA GLY A 77 -19.861 -47.121 17.554 1.00 30.89 C ATOM 657 C GLY A 77 -18.734 -46.451 16.788 1.00 29.46 C ATOM 658 O GLY A 77 -18.295 -45.346 17.128 1.00 28.31 O ATOM 659 H GLY A 77 -20.255 -46.559 19.605 1.00 0.00 H ATOM 660 N HIS A 78 -18.263 -47.133 15.749 1.00 29.70 N ATOM 661 CA HIS A 78 -17.138 -46.641 14.962 1.00 28.81 C ATOM 662 C HIS A 78 -17.361 -46.816 13.464 1.00 28.67 C ATOM 663 O HIS A 78 -18.156 -47.664 13.034 1.00 30.35 O ATOM 664 CB HIS A 78 -15.841 -47.352 15.372 1.00 29.04 C ATOM 665 CG HIS A 78 -15.484 -47.184 16.819 1.00 29.88 C ATOM 666 ND1 HIS A 78 -14.656 -46.180 17.274 1.00 30.87 N ATOM 667 CD2 HIS A 78 -15.842 -47.901 17.911 1.00 32.49 C ATOM 668 CE1 HIS A 78 -14.525 -46.283 18.585 1.00 31.11 C ATOM 669 NE2 HIS A 78 -15.231 -47.321 18.995 1.00 33.34 N ATOM 670 H HIS A 78 -18.707 -48.038 15.491 1.00 0.00 H ATOM 671 N VAL A 79 -16.648 -46.008 12.681 1.00 27.02 N ATOM 672 CA VAL A 79 -16.638 -46.120 11.225 1.00 27.08 C ATOM 673 C VAL A 79 -15.192 -46.252 10.710 1.00 26.19 C ATOM 674 O VAL A 79 -14.228 -45.991 11.441 1.00 24.58 O ATOM 675 CB VAL A 79 -17.347 -44.911 10.535 1.00 27.10 C ATOM 676 CG1 VAL A 79 -18.821 -44.831 10.931 1.00 28.38 C ATOM 677 CG2 VAL A 79 -16.634 -43.590 10.859 1.00 26.24 C ATOM 678 H VAL A 79 -16.073 -45.265 13.126 1.00 0.00 H ATOM 679 N TYR A 80 -15.068 -46.644 9.447 1.00 26.80 N ATOM 680 CA TYR A 80 -13.797 -46.832 8.761 1.00 26.70 C ATOM 681 C TYR A 80 -13.141 -45.502 8.391 1.00 25.36 C ATOM 682 O TYR A 80 -13.767 -44.647 7.761 1.00 26.16 O ATOM 683 CB TYR A 80 -14.077 -47.668 7.495 1.00 28.55 C ATOM 684 CG TYR A 80 -12.945 -47.795 6.497 1.00 30.01 C ATOM 685 CD1 TYR A 80 -13.003 -47.142 5.262 1.00 31.24 C ATOM 686 CD2 TYR A 80 -11.838 -48.593 6.768 1.00 31.77 C ATOM 687 CE1 TYR A 80 -11.976 -47.269 4.329 1.00 32.11 C ATOM 688 CE2 TYR A 80 -10.804 -48.725 5.838 1.00 31.60 C ATOM 689 CZ TYR A 80 -10.880 -48.058 4.628 1.00 31.33 C ATOM 690 OH TYR A 80 -9.860 -48.195 3.715 1.00 31.57 O ATOM 691 HH TYR A 80 -10.066 -47.658 2.909 1.00 0.00 H ATOM 692 H TYR A 80 -15.939 -46.830 8.910 1.00 0.00 H ATOM 693 N SER A 81 -11.876 -45.331 8.766 1.00 23.88 N ATOM 694 CA SER A 81 -11.126 -44.146 8.366 1.00 21.84 C ATOM 695 C SER A 81 -9.712 -44.528 7.918 1.00 21.73 C ATOM 696 O SER A 81 -8.873 -44.801 8.762 1.00 20.08 O ATOM 697 CB SER A 81 -11.035 -43.177 9.548 1.00 21.58 C ATOM 698 OG SER A 81 -10.161 -42.091 9.276 1.00 19.56 O ATOM 699 HG SER A 81 -10.493 -41.591 8.489 1.00 0.00 H ATOM 700 H SER A 81 -11.415 -46.054 9.354 1.00 0.00 H ATOM 701 N PRO A 82 -9.439 -44.533 6.598 1.00 21.69 N ATOM 702 CA PRO A 82 -8.074 -44.853 6.163 1.00 21.88 C ATOM 703 C PRO A 82 -7.161 -43.644 6.375 1.00 21.38 C ATOM 704 O PRO A 82 -7.463 -42.548 5.890 1.00 21.92 O ATOM 705 CB PRO A 82 -8.247 -45.186 4.675 1.00 22.44 C ATOM 706 CG PRO A 82 -9.475 -44.395 4.249 1.00 23.36 C ATOM 707 CD PRO A 82 -10.348 -44.255 5.465 1.00 23.23 C ATOM 708 N GLU A 83 -6.064 -43.836 7.109 1.00 20.17 N ATOM 709 CA GLU A 83 -5.230 -42.713 7.508 1.00 19.21 C ATOM 710 C GLU A 83 -3.761 -42.984 7.303 1.00 19.18 C ATOM 711 O GLU A 83 -3.275 -44.079 7.599 1.00 18.93 O ATOM 712 CB GLU A 83 -5.462 -42.403 8.986 1.00 19.01 C ATOM 713 CG GLU A 83 -6.919 -42.105 9.315 1.00 18.63 C ATOM 714 CD GLU A 83 -7.162 -41.758 10.774 1.00 18.92 C ATOM 715 OE1 GLU A 83 -6.172 -41.510 11.504 1.00 18.36 O ATOM 716 OE2 GLU A 83 -8.349 -41.728 11.184 1.00 18.85 O ATOM 717 H GLU A 83 -5.802 -44.800 7.399 1.00 0.00 H ATOM 718 N GLY A 84 -3.063 -41.985 6.780 1.00 18.65 N ATOM 719 CA GLY A 84 -1.617 -41.943 6.856 1.00 18.42 C ATOM 720 C GLY A 84 -1.245 -40.871 7.870 1.00 18.15 C ATOM 721 O GLY A 84 -2.095 -40.059 8.299 1.00 18.83 O ATOM 722 H GLY A 84 -3.567 -41.211 6.302 1.00 0.00 H ATOM 723 N CYS A 85 0.025 -40.852 8.247 1.00 17.82 N ATOM 724 CA CYS A 85 0.515 -39.920 9.245 1.00 17.01 C ATOM 725 C CYS A 85 1.826 -39.355 8.760 1.00 17.36 C ATOM 726 O CYS A 85 2.672 -40.104 8.270 1.00 17.48 O ATOM 727 CB CYS A 85 0.702 -40.630 10.592 1.00 16.98 C ATOM 728 SG CYS A 85 1.282 -39.528 11.935 1.00 16.71 S ATOM 729 H CYS A 85 0.690 -41.525 7.815 1.00 0.00 H ATOM 730 N LEU A 86 2.014 -38.042 8.911 1.00 17.74 N ATOM 731 CA LEU A 86 3.251 -37.401 8.470 1.00 18.33 C ATOM 732 C LEU A 86 4.472 -37.900 9.226 1.00 18.53 C ATOM 733 O LEU A 86 5.580 -37.788 8.733 1.00 18.93 O ATOM 734 CB LEU A 86 3.156 -35.878 8.642 1.00 19.67 C ATOM 735 CG LEU A 86 2.168 -35.142 7.753 1.00 23.53 C ATOM 736 CD1 LEU A 86 2.197 -33.662 8.145 1.00 24.66 C ATOM 737 CD2 LEU A 86 2.506 -35.361 6.302 1.00 26.48 C ATOM 738 H LEU A 86 1.268 -37.466 9.350 1.00 0.00 H ATOM 739 N SER A 87 4.264 -38.437 10.424 1.00 17.82 N ATOM 740 CA SER A 87 5.367 -38.973 11.216 1.00 18.73 C ATOM 741 C SER A 87 5.782 -40.366 10.774 1.00 19.47 C ATOM 742 O SER A 87 6.879 -40.794 11.120 1.00 20.80 O ATOM 743 CB SER A 87 4.992 -38.995 12.693 1.00 18.97 C ATOM 744 OG SER A 87 4.685 -37.676 13.121 1.00 19.30 O ATOM 745 HG SER A 87 5.475 -37.095 12.988 1.00 0.00 H ATOM 746 H SER A 87 3.297 -38.476 10.804 1.00 0.00 H ATOM 747 N TYR A 88 4.932 -41.043 9.993 1.00 18.70 N ATOM 748 CA TYR A 88 5.211 -42.415 9.541 1.00 20.30 C ATOM 749 C TYR A 88 4.943 -42.509 8.053 1.00 20.40 C ATOM 750 O TYR A 88 4.043 -43.246 7.618 1.00 20.61 O ATOM 751 CB TYR A 88 4.328 -43.408 10.304 1.00 21.15 C ATOM 752 CG TYR A 88 4.485 -43.270 11.791 1.00 22.85 C ATOM 753 CD1 TYR A 88 3.570 -42.534 12.540 1.00 22.90 C ATOM 754 CD2 TYR A 88 5.560 -43.864 12.457 1.00 25.29 C ATOM 755 CE1 TYR A 88 3.728 -42.385 13.918 1.00 23.93 C ATOM 756 CE2 TYR A 88 5.728 -43.725 13.822 1.00 27.01 C ATOM 757 CZ TYR A 88 4.807 -42.992 14.551 1.00 24.78 C ATOM 758 OH TYR A 88 4.985 -42.874 15.914 1.00 27.80 O ATOM 759 HH TYR A 88 4.254 -42.326 16.295 1.00 0.00 H ATOM 760 H TYR A 88 4.047 -40.585 9.696 1.00 0.00 H ATOM 761 N PRO A 89 5.695 -41.735 7.253 1.00 21.36 N ATOM 762 CA PRO A 89 5.412 -41.731 5.821 1.00 21.97 C ATOM 763 C PRO A 89 5.476 -43.135 5.216 1.00 22.69 C ATOM 764 O PRO A 89 6.332 -43.940 5.598 1.00 24.11 O ATOM 765 CB PRO A 89 6.506 -40.818 5.241 1.00 23.20 C ATOM 766 CG PRO A 89 7.570 -40.713 6.325 1.00 23.82 C ATOM 767 CD PRO A 89 6.814 -40.832 7.601 1.00 21.62 C ATOM 768 N GLY A 90 4.554 -43.410 4.298 1.00 22.14 N ATOM 769 CA GLY A 90 4.519 -44.693 3.581 1.00 23.56 C ATOM 770 C GLY A 90 3.423 -45.637 4.056 1.00 23.78 C ATOM 771 O GLY A 90 3.022 -46.540 3.322 1.00 25.31 O ATOM 772 H GLY A 90 3.833 -42.693 4.080 1.00 0.00 H ATOM 773 N LYS A 91 2.922 -45.414 5.265 1.00 21.82 N ATOM 774 CA LYS A 91 1.998 -46.329 5.943 1.00 23.28 C ATOM 775 C LYS A 91 0.584 -45.765 5.823 1.00 21.48 C ATOM 776 O LYS A 91 0.376 -44.595 6.116 1.00 22.20 O ATOM 777 CB LYS A 91 2.391 -46.400 7.447 1.00 23.16 C ATOM 778 CG LYS A 91 1.590 -47.353 8.338 1.00 25.50 C ATOM 779 CD LYS A 91 1.611 -46.939 9.839 1.00 26.00 C ATOM 780 CE LYS A 91 2.776 -47.518 10.593 1.00 31.41 C ATOM 781 NZ LYS A 91 2.348 -47.726 11.995 1.00 29.38 N ATOM 782 HZ1 LYS A 91 2.066 -46.815 12.409 1.00 0.00 H ATOM 783 HZ2 LYS A 91 1.541 -48.382 12.016 1.00 0.00 H ATOM 784 HZ3 LYS A 91 3.137 -48.127 12.541 1.00 0.00 H ATOM 785 H LYS A 91 3.200 -44.542 5.759 1.00 0.00 H ATOM 786 N THR A 92 -0.381 -46.589 5.405 1.00 20.23 N ATOM 787 CA THR A 92 -1.801 -46.228 5.558 1.00 20.15 C ATOM 788 C THR A 92 -2.475 -47.300 6.402 1.00 19.56 C ATOM 789 O THR A 92 -2.304 -48.497 6.140 1.00 20.13 O ATOM 790 CB THR A 92 -2.518 -46.092 4.203 1.00 21.32 C ATOM 791 OG1 THR A 92 -1.781 -45.177 3.379 1.00 23.72 O ATOM 792 CG2 THR A 92 -3.949 -45.587 4.399 1.00 21.97 C ATOM 793 HG1 THR A 92 -1.737 -44.295 3.826 1.00 0.00 H ATOM 794 H THR A 92 -0.126 -47.497 4.966 1.00 0.00 H ATOM 795 N VAL A 93 -3.222 -46.870 7.413 1.00 19.40 N ATOM 796 CA VAL A 93 -3.871 -47.784 8.351 1.00 20.31 C ATOM 797 C VAL A 93 -5.383 -47.596 8.291 1.00 20.86 C ATOM 798 O VAL A 93 -5.867 -46.462 8.285 1.00 21.12 O ATOM 799 CB VAL A 93 -3.391 -47.509 9.806 1.00 19.74 C ATOM 800 CG1 VAL A 93 -4.015 -48.487 10.791 1.00 20.65 C ATOM 801 CG2 VAL A 93 -1.890 -47.594 9.878 1.00 20.71 C ATOM 802 H VAL A 93 -3.350 -45.846 7.542 1.00 0.00 H ATOM 803 N ALA A 94 -6.118 -48.704 8.227 1.00 21.84 N ATOM 804 CA ALA A 94 -7.583 -48.652 8.341 1.00 22.60 C ATOM 805 C ALA A 94 -7.970 -48.474 9.812 1.00 23.00 C ATOM 806 O ALA A 94 -8.008 -49.440 10.573 1.00 24.27 O ATOM 807 CB ALA A 94 -8.208 -49.919 7.756 1.00 23.71 C ATOM 808 H ALA A 94 -5.648 -49.622 8.094 1.00 0.00 H ATOM 809 N LYS A 95 -8.275 -47.236 10.202 1.00 22.49 N ATOM 810 CA LYS A 95 -8.580 -46.917 11.593 1.00 22.55 C ATOM 811 C LYS A 95 -10.077 -46.989 11.877 1.00 23.39 C ATOM 812 O LYS A 95 -10.896 -46.811 10.968 1.00 24.86 O ATOM 813 CB LYS A 95 -8.076 -45.508 11.943 1.00 21.60 C ATOM 814 CG LYS A 95 -6.550 -45.355 11.961 1.00 22.75 C ATOM 815 CD LYS A 95 -5.904 -46.101 13.118 1.00 25.47 C ATOM 816 CE LYS A 95 -6.169 -45.407 14.453 1.00 27.19 C ATOM 817 NZ LYS A 95 -5.893 -46.343 15.570 1.00 29.22 N ATOM 818 HZ1 LYS A 95 -6.512 -47.174 15.485 1.00 0.00 H ATOM 819 HZ2 LYS A 95 -4.898 -46.645 15.530 1.00 0.00 H ATOM 820 HZ3 LYS A 95 -6.075 -45.864 16.475 1.00 0.00 H ATOM 821 H LYS A 95 -8.296 -46.475 9.494 1.00 0.00 H ATOM 822 N LYS A 96 -10.423 -47.284 13.126 1.00 22.59 N ATOM 823 CA LYS A 96 -11.791 -47.095 13.614 1.00 23.50 C ATOM 824 C LYS A 96 -11.885 -45.722 14.274 1.00 22.47 C ATOM 825 O LYS A 96 -11.059 -45.373 15.116 1.00 22.81 O ATOM 826 CB LYS A 96 -12.161 -48.174 14.632 1.00 24.66 C ATOM 827 CG LYS A 96 -12.120 -49.574 14.079 1.00 28.24 C ATOM 828 CD LYS A 96 -12.289 -50.584 15.186 1.00 33.20 C ATOM 829 CE LYS A 96 -12.374 -51.991 14.629 1.00 35.88 C ATOM 830 NZ LYS A 96 -12.631 -52.952 15.724 1.00 39.36 N ATOM 831 HZ1 LYS A 96 -11.856 -52.903 16.416 1.00 0.00 H ATOM 832 HZ2 LYS A 96 -13.529 -52.712 16.190 1.00 0.00 H ATOM 833 HZ3 LYS A 96 -12.688 -53.914 15.333 1.00 0.00 H ATOM 834 H LYS A 96 -9.702 -47.660 13.775 1.00 0.00 H ATOM 835 N ARG A 97 -12.872 -44.933 13.859 1.00 22.01 N ATOM 836 CA ARG A 97 -13.040 -43.576 14.380 1.00 20.86 C ATOM 837 C ARG A 97 -14.496 -43.350 14.693 1.00 21.51 C ATOM 838 O ARG A 97 -15.354 -44.021 14.121 1.00 22.69 O ATOM 839 CB ARG A 97 -12.614 -42.532 13.337 1.00 20.52 C ATOM 840 CG ARG A 97 -11.127 -42.511 13.025 1.00 19.24 C ATOM 841 CD ARG A 97 -10.310 -42.065 14.227 1.00 19.77 C ATOM 842 NE ARG A 97 -8.902 -41.936 13.865 1.00 18.76 N ATOM 843 CZ ARG A 97 -7.914 -41.875 14.751 1.00 19.28 C ATOM 844 NH1 ARG A 97 -6.656 -41.761 14.320 1.00 18.97 N ATOM 845 NH2 ARG A 97 -8.163 -41.947 16.060 1.00 20.41 N ATOM 846 HE ARG A 97 -8.658 -41.889 12.855 1.00 0.00 H ATOM 847 HH12 ARG A 97 -5.874 -41.712 15.004 1.00 0.00 H ATOM 848 HH11 ARG A 97 -6.457 -41.721 13.300 1.00 0.00 H ATOM 849 HH22 ARG A 97 -7.379 -41.898 16.742 1.00 0.00 H ATOM 850 HH21 ARG A 97 -9.141 -42.052 16.398 1.00 0.00 H ATOM 851 H ARG A 97 -13.541 -45.289 13.147 1.00 0.00 H ATOM 852 N ARG A 98 -14.778 -42.398 15.579 1.00 21.49 N ATOM 853 CA ARG A 98 -16.142 -41.934 15.774 1.00 22.09 C ATOM 854 C ARG A 98 -16.511 -41.113 14.547 1.00 22.74 C ATOM 855 O ARG A 98 -15.702 -40.309 14.058 1.00 22.32 O ATOM 856 CB ARG A 98 -16.262 -41.066 17.030 1.00 22.10 C ATOM 857 CG ARG A 98 -15.731 -41.691 18.318 1.00 22.39 C ATOM 858 CD ARG A 98 -16.400 -43.017 18.645 1.00 25.75 C ATOM 859 NE ARG A 98 -16.091 -43.445 20.006 1.00 26.16 N ATOM 860 CZ ARG A 98 -16.664 -44.479 20.623 1.00 28.45 C ATOM 861 NH1 ARG A 98 -17.583 -45.221 20.012 1.00 29.15 N ATOM 862 NH2 ARG A 98 -16.310 -44.772 21.867 1.00 29.14 N ATOM 863 HE ARG A 98 -15.374 -42.906 20.531 1.00 0.00 H ATOM 864 HH12 ARG A 98 -18.019 -46.024 20.510 1.00 0.00 H ATOM 865 HH11 ARG A 98 -17.866 -44.999 19.036 1.00 0.00 H ATOM 866 HH22 ARG A 98 -16.751 -45.576 22.357 1.00 0.00 H ATOM 867 HH21 ARG A 98 -15.592 -44.197 22.352 1.00 0.00 H ATOM 868 H ARG A 98 -14.010 -41.979 16.141 1.00 0.00 H ATOM 869 N ASN A 99 -17.725 -41.315 14.043 1.00 24.31 N ATOM 870 CA ASN A 99 -18.157 -40.587 12.856 1.00 24.91 C ATOM 871 C ASN A 99 -18.391 -39.099 13.130 1.00 24.33 C ATOM 872 O ASN A 99 -18.164 -38.267 12.250 1.00 24.23 O ATOM 873 CB ASN A 99 -19.415 -41.214 12.253 1.00 26.65 C ATOM 874 CG ASN A 99 -19.735 -40.661 10.878 1.00 28.34 C ATOM 875 OD1 ASN A 99 -18.854 -40.520 10.029 1.00 31.20 O ATOM 876 ND2 ASN A 99 -21.001 -40.335 10.656 1.00 32.69 N ATOM 877 HD22 ASN A 99 -21.712 -40.471 11.403 1.00 0.00 H ATOM 878 HD21 ASN A 99 -21.283 -39.943 9.735 1.00 0.00 H ATOM 879 H ASN A 99 -18.368 -41.994 14.497 1.00 0.00 H ATOM 880 N LYS A 100 -18.834 -38.771 14.342 1.00 24.01 N ATOM 881 CA LYS A 100 -19.062 -37.371 14.709 1.00 24.71 C ATOM 882 C LYS A 100 -18.472 -37.077 16.076 1.00 23.66 C ATOM 883 O LYS A 100 -18.569 -37.906 16.987 1.00 23.24 O ATOM 884 CB LYS A 100 -20.557 -37.028 14.716 1.00 26.14 C ATOM 885 CG LYS A 100 -21.285 -37.352 13.408 1.00 28.22 C ATOM 886 CD LYS A 100 -22.703 -36.784 13.371 1.00 30.47 C ATOM 887 CE LYS A 100 -23.301 -36.921 11.971 1.00 34.35 C ATOM 888 NZ LYS A 100 -24.741 -36.513 11.910 1.00 39.16 N ATOM 889 HZ1 LYS A 100 -25.297 -37.112 12.553 1.00 0.00 H ATOM 890 HZ2 LYS A 100 -24.830 -35.518 12.197 1.00 0.00 H ATOM 891 HZ3 LYS A 100 -25.091 -36.627 10.938 1.00 0.00 H ATOM 892 H LYS A 100 -19.021 -39.520 15.039 1.00 0.00 H ATOM 893 N VAL A 101 -17.860 -35.901 16.214 1.00 22.55 N ATOM 894 CA VAL A 101 -17.325 -35.439 17.501 1.00 22.22 C ATOM 895 C VAL A 101 -17.586 -33.957 17.663 1.00 22.25 C ATOM 896 O VAL A 101 -17.765 -33.239 16.671 1.00 23.51 O ATOM 897 CB VAL A 101 -15.786 -35.632 17.634 1.00 20.99 C ATOM 898 CG1 VAL A 101 -15.397 -37.111 17.596 1.00 20.22 C ATOM 899 CG2 VAL A 101 -15.035 -34.857 16.541 1.00 22.17 C ATOM 900 H VAL A 101 -17.758 -35.288 15.380 1.00 0.00 H ATOM 901 N VAL A 102 -17.637 -33.520 18.922 1.00 21.55 N ATOM 902 CA VAL A 102 -17.526 -32.112 19.254 1.00 21.51 C ATOM 903 C VAL A 102 -16.223 -31.946 20.017 1.00 21.06 C ATOM 904 O VAL A 102 -15.970 -32.667 20.988 1.00 20.56 O ATOM 905 CB VAL A 102 -18.712 -31.625 20.110 1.00 22.75 C ATOM 906 CG1 VAL A 102 -18.531 -30.161 20.517 1.00 22.56 C ATOM 907 CG2 VAL A 102 -20.023 -31.782 19.338 1.00 23.86 C ATOM 908 H VAL A 102 -17.760 -34.210 19.690 1.00 0.00 H ATOM 909 N VAL A 103 -15.390 -31.022 19.540 1.00 20.75 N ATOM 910 CA VAL A 103 -14.131 -30.685 20.200 1.00 20.38 C ATOM 911 C VAL A 103 -14.223 -29.266 20.736 1.00 21.62 C ATOM 912 O VAL A 103 -14.716 -28.364 20.047 1.00 21.94 O ATOM 913 CB VAL A 103 -12.938 -30.841 19.222 1.00 19.62 C ATOM 914 CG1 VAL A 103 -11.654 -30.246 19.800 1.00 19.94 C ATOM 915 CG2 VAL A 103 -12.741 -32.311 18.910 1.00 20.16 C ATOM 916 H VAL A 103 -15.646 -30.522 18.665 1.00 0.00 H ATOM 917 N GLU A 104 -13.773 -29.077 21.970 1.00 21.46 N ATOM 918 CA GLU A 104 -13.734 -27.756 22.576 1.00 22.31 C ATOM 919 C GLU A 104 -12.316 -27.396 22.992 1.00 21.01 C ATOM 920 O GLU A 104 -11.476 -28.274 23.239 1.00 20.49 O ATOM 921 CB GLU A 104 -14.701 -27.688 23.753 1.00 23.89 C ATOM 922 CG GLU A 104 -16.126 -27.992 23.308 1.00 26.25 C ATOM 923 CD GLU A 104 -17.138 -27.863 24.403 1.00 29.40 C ATOM 924 OE1 GLU A 104 -17.011 -26.945 25.233 1.00 29.38 O ATOM 925 OE2 GLU A 104 -18.079 -28.684 24.420 1.00 30.48 O ATOM 926 H GLU A 104 -13.439 -29.895 22.518 1.00 0.00 H ATOM 927 N GLY A 105 -12.039 -26.098 23.026 1.00 20.58 N ATOM 928 CA GLY A 105 -10.726 -25.618 23.421 1.00 20.31 C ATOM 929 C GLY A 105 -10.698 -24.123 23.243 1.00 20.37 C ATOM 930 O GLY A 105 -11.724 -23.452 23.421 1.00 21.18 O ATOM 931 H GLY A 105 -12.776 -25.412 22.765 1.00 0.00 H ATOM 932 N TYR A 106 -9.519 -23.603 22.914 1.00 20.79 N ATOM 933 CA TYR A 106 -9.295 -22.170 22.781 1.00 21.55 C ATOM 934 C TYR A 106 -8.586 -21.854 21.484 1.00 21.25 C ATOM 935 O TYR A 106 -7.825 -22.685 20.978 1.00 19.54 O ATOM 936 CB TYR A 106 -8.477 -21.656 23.968 1.00 22.51 C ATOM 937 CG TYR A 106 -9.251 -21.775 25.260 1.00 24.67 C ATOM 938 CD1 TYR A 106 -9.126 -22.908 26.066 1.00 26.04 C ATOM 939 CD2 TYR A 106 -10.137 -20.776 25.655 1.00 26.15 C ATOM 940 CE1 TYR A 106 -9.850 -23.034 27.238 1.00 27.96 C ATOM 941 CE2 TYR A 106 -10.869 -20.893 26.835 1.00 28.60 C ATOM 942 CZ TYR A 106 -10.721 -22.026 27.609 1.00 28.42 C ATOM 943 OH TYR A 106 -11.435 -22.145 28.773 1.00 30.35 O ATOM 944 HH TYR A 106 -11.217 -23.008 29.206 1.00 0.00 H ATOM 945 H TYR A 106 -8.721 -24.248 22.744 1.00 0.00 H ATOM 946 N ASP A 107 -8.842 -20.663 20.945 1.00 22.34 N ATOM 947 CA ASP A 107 -8.105 -20.198 19.767 1.00 23.58 C ATOM 948 C ASP A 107 -6.842 -19.464 20.200 1.00 25.00 C ATOM 949 O ASP A 107 -6.554 -19.387 21.391 1.00 24.47 O ATOM 950 CB ASP A 107 -8.990 -19.367 18.813 1.00 24.60 C ATOM 951 CG ASP A 107 -9.383 -18.006 19.373 1.00 26.74 C ATOM 952 OD1 ASP A 107 -8.784 -17.519 20.354 1.00 26.04 O ATOM 953 OD2 ASP A 107 -10.319 -17.397 18.809 1.00 28.80 O ATOM 954 H ASP A 107 -9.574 -20.056 21.366 1.00 0.00 H ATOM 955 N MET A 108 -6.101 -18.921 19.236 1.00 26.61 N ATOM 956 CA MET A 108 -4.815 -18.262 19.513 1.00 29.58 C ATOM 957 C MET A 108 -4.941 -17.028 20.406 1.00 29.55 C ATOM 958 O MET A 108 -3.950 -16.573 20.991 1.00 30.27 O ATOM 959 CB MET A 108 -4.129 -17.870 18.203 1.00 29.96 C ATOM 960 CG MET A 108 -4.770 -16.681 17.497 1.00 33.22 C ATOM 961 SD MET A 108 -3.989 -16.206 15.939 1.00 37.32 S ATOM 962 CE MET A 108 -2.339 -16.841 16.165 1.00 36.76 C ATOM 963 H MET A 108 -6.443 -18.964 18.255 1.00 0.00 H ATOM 964 N ASP A 109 -6.149 -16.474 20.472 1.00 29.29 N ATOM 965 CA ASP A 109 -6.428 -15.307 21.300 1.00 30.03 C ATOM 966 C ASP A 109 -7.118 -15.700 22.603 1.00 28.75 C ATOM 967 O ASP A 109 -7.635 -14.841 23.314 1.00 29.48 O ATOM 968 CB ASP A 109 -7.296 -14.283 20.547 1.00 31.33 C ATOM 969 CG ASP A 109 -6.738 -13.926 19.174 1.00 33.64 C ATOM 970 OD1 ASP A 109 -5.511 -13.711 19.040 1.00 35.17 O ATOM 971 OD2 ASP A 109 -7.537 -13.859 18.220 1.00 36.38 O ATOM 972 H ASP A 109 -6.922 -16.888 19.913 1.00 0.00 H ATOM 973 N TRP A 110 -7.114 -16.996 22.913 1.00 26.97 N ATOM 974 CA TRP A 110 -7.724 -17.534 24.135 1.00 26.81 C ATOM 975 C TRP A 110 -9.230 -17.311 24.249 1.00 27.55 C ATOM 976 O TRP A 110 -9.779 -17.225 25.349 1.00 28.41 O ATOM 977 CB TRP A 110 -6.967 -17.072 25.393 1.00 27.38 C ATOM 978 CG TRP A 110 -5.644 -17.737 25.431 1.00 26.05 C ATOM 979 CD1 TRP A 110 -4.465 -17.234 24.982 1.00 27.34 C ATOM 980 CD2 TRP A 110 -5.380 -19.075 25.859 1.00 25.60 C ATOM 981 NE1 TRP A 110 -3.466 -18.169 25.127 1.00 25.63 N ATOM 982 CE2 TRP A 110 -4.004 -19.309 25.665 1.00 25.87 C ATOM 983 CE3 TRP A 110 -6.174 -20.096 26.404 1.00 25.30 C ATOM 984 CZ2 TRP A 110 -3.394 -20.520 26.010 1.00 24.69 C ATOM 985 CZ3 TRP A 110 -5.571 -21.305 26.742 1.00 25.26 C ATOM 986 CH2 TRP A 110 -4.191 -21.500 26.546 1.00 24.71 C ATOM 987 HE1 TRP A 110 -2.467 -18.033 24.871 1.00 0.00 H ATOM 988 H TRP A 110 -6.656 -17.660 22.256 1.00 0.00 H ATOM 989 N GLN A 111 -9.887 -17.219 23.096 1.00 27.29 N ATOM 990 CA GLN A 111 -11.342 -17.266 23.046 1.00 27.47 C ATOM 991 C GLN A 111 -11.770 -18.728 23.007 1.00 26.16 C ATOM 992 O GLN A 111 -11.160 -19.536 22.293 1.00 24.42 O ATOM 993 CB GLN A 111 -11.873 -16.526 21.817 1.00 28.25 C ATOM 994 CG GLN A 111 -11.719 -15.009 21.883 1.00 31.96 C ATOM 995 CD GLN A 111 -12.626 -14.369 22.931 1.00 36.18 C ATOM 996 OE1 GLN A 111 -12.184 -13.541 23.732 1.00 40.25 O ATOM 997 NE2 GLN A 111 -13.896 -14.759 22.937 1.00 37.09 N ATOM 998 HE22 GLN A 111 -14.228 -15.460 22.244 1.00 0.00 H ATOM 999 HE21 GLN A 111 -14.558 -14.364 23.635 1.00 0.00 H ATOM 1000 H GLN A 111 -9.350 -17.111 22.212 1.00 0.00 H ATOM 1001 N PRO A 112 -12.807 -19.084 23.783 1.00 26.32 N ATOM 1002 CA PRO A 112 -13.269 -20.470 23.756 1.00 25.97 C ATOM 1003 C PRO A 112 -13.878 -20.834 22.407 1.00 26.42 C ATOM 1004 O PRO A 112 -14.634 -20.044 21.828 1.00 28.21 O ATOM 1005 CB PRO A 112 -14.330 -20.518 24.864 1.00 27.01 C ATOM 1006 CG PRO A 112 -14.761 -19.114 25.062 1.00 28.11 C ATOM 1007 CD PRO A 112 -13.588 -18.247 24.716 1.00 27.18 C ATOM 1008 N ILE A 113 -13.543 -22.018 21.906 1.00 25.01 N ATOM 1009 CA ILE A 113 -14.102 -22.479 20.640 1.00 25.47 C ATOM 1010 C ILE A 113 -14.720 -23.870 20.758 1.00 24.95 C ATOM 1011 O ILE A 113 -14.350 -24.657 21.633 1.00 24.62 O ATOM 1012 CB ILE A 113 -13.089 -22.392 19.471 1.00 24.82 C ATOM 1013 CG1 ILE A 113 -11.826 -23.196 19.777 1.00 24.34 C ATOM 1014 CG2 ILE A 113 -12.730 -20.929 19.186 1.00 26.56 C ATOM 1015 CD1 ILE A 113 -10.816 -23.219 18.634 1.00 24.14 C ATOM 1016 H ILE A 113 -12.874 -22.624 22.423 1.00 0.00 H ATOM 1017 N THR A 114 -15.699 -24.127 19.895 1.00 25.44 N ATOM 1018 CA THR A 114 -16.375 -25.410 19.813 1.00 26.11 C ATOM 1019 C THR A 114 -16.412 -25.778 18.339 1.00 25.40 C ATOM 1020 O THR A 114 -16.748 -24.935 17.489 1.00 26.61 O ATOM 1021 CB THR A 114 -17.818 -25.329 20.355 1.00 27.44 C ATOM 1022 OG1 THR A 114 -17.807 -24.808 21.689 1.00 29.80 O ATOM 1023 CG2 THR A 114 -18.476 -26.692 20.360 1.00 28.11 C ATOM 1024 HG1 THR A 114 -17.271 -25.404 22.270 1.00 0.00 H ATOM 1025 H THR A 114 -15.996 -23.371 19.246 1.00 0.00 H ATOM 1026 N ILE A 115 -16.063 -27.026 18.040 1.00 24.35 N ATOM 1027 CA ILE A 115 -16.057 -27.526 16.676 1.00 24.38 C ATOM 1028 C ILE A 115 -16.918 -28.782 16.623 1.00 24.21 C ATOM 1029 O ILE A 115 -16.578 -29.791 17.240 1.00 23.97 O ATOM 1030 CB ILE A 115 -14.629 -27.882 16.197 1.00 23.74 C ATOM 1031 CG1 ILE A 115 -13.684 -26.686 16.369 1.00 24.28 C ATOM 1032 CG2 ILE A 115 -14.658 -28.360 14.738 1.00 23.91 C ATOM 1033 CD1 ILE A 115 -12.251 -27.091 16.444 1.00 25.82 C ATOM 1034 H ILE A 115 -15.784 -27.667 18.810 1.00 0.00 H ATOM 1035 N ALA A 116 -18.025 -28.713 15.895 1.00 24.30 N ATOM 1036 CA ALA A 116 -18.829 -29.898 15.611 1.00 25.02 C ATOM 1037 C ALA A 116 -18.406 -30.433 14.253 1.00 24.90 C ATOM 1038 O ALA A 116 -18.533 -29.745 13.230 1.00 25.93 O ATOM 1039 CB ALA A 116 -20.322 -29.577 15.630 1.00 26.72 C ATOM 1040 H ALA A 116 -18.327 -27.792 15.517 1.00 0.00 H ATOM 1041 N ALA A 117 -17.914 -31.667 14.243 1.00 23.24 N ATOM 1042 CA ALA A 117 -17.352 -32.249 13.031 1.00 23.14 C ATOM 1043 C ALA A 117 -17.876 -33.650 12.757 1.00 23.31 C ATOM 1044 O ALA A 117 -18.225 -34.388 13.687 1.00 23.08 O ATOM 1045 CB ALA A 117 -15.832 -32.259 13.123 1.00 22.30 C ATOM 1046 H ALA A 117 -17.930 -32.229 15.118 1.00 0.00 H ATOM 1047 N LYS A 118 -17.906 -33.999 11.472 1.00 23.11 N ATOM 1048 CA LYS A 118 -18.324 -35.318 10.996 1.00 24.04 C ATOM 1049 C LYS A 118 -17.363 -35.764 9.906 1.00 24.04 C ATOM 1050 O LYS A 118 -16.659 -34.942 9.321 1.00 24.63 O ATOM 1051 CB LYS A 118 -19.759 -35.280 10.464 1.00 25.65 C ATOM 1052 H LYS A 118 -17.615 -33.293 10.766 1.00 0.00 H ATOM 1053 N GLY A 119 -17.302 -37.066 9.662 1.00 23.84 N ATOM 1054 CA GLY A 119 -16.458 -37.594 8.591 1.00 23.47 C ATOM 1055 C GLY A 119 -15.003 -37.186 8.705 1.00 22.73 C ATOM 1056 O GLY A 119 -14.445 -37.168 9.805 1.00 21.52 O ATOM 1057 H GLY A 119 -17.863 -37.722 10.242 1.00 0.00 H ATOM 1058 N LEU A 120 -14.393 -36.846 7.571 1.00 22.68 N ATOM 1059 CA LEU A 120 -12.964 -36.569 7.523 1.00 22.01 C ATOM 1060 C LEU A 120 -12.493 -35.575 8.586 1.00 20.81 C ATOM 1061 O LEU A 120 -11.482 -35.817 9.252 1.00 20.14 O ATOM 1062 CB LEU A 120 -12.535 -36.105 6.127 1.00 22.47 C ATOM 1063 CG LEU A 120 -11.036 -35.819 5.959 1.00 22.31 C ATOM 1064 CD1 LEU A 120 -10.160 -37.012 6.320 1.00 23.57 C ATOM 1065 CD2 LEU A 120 -10.758 -35.347 4.534 1.00 23.89 C ATOM 1066 H LEU A 120 -14.952 -36.776 6.697 1.00 0.00 H ATOM 1067 N THR A 121 -13.213 -34.466 8.753 1.00 21.26 N ATOM 1068 CA THR A 121 -12.806 -33.472 9.754 1.00 20.44 C ATOM 1069 C THR A 121 -12.837 -34.046 11.171 1.00 19.63 C ATOM 1070 O THR A 121 -11.952 -33.748 11.978 1.00 19.49 O ATOM 1071 CB THR A 121 -13.640 -32.172 9.664 1.00 21.52 C ATOM 1072 OG1 THR A 121 -13.518 -31.641 8.344 1.00 22.56 O ATOM 1073 CG2 THR A 121 -13.147 -31.123 10.660 1.00 22.10 C ATOM 1074 HG1 THR A 121 -13.855 -32.304 7.690 1.00 0.00 H ATOM 1075 H THR A 121 -14.062 -34.305 8.175 1.00 0.00 H ATOM 1076 N ALA A 122 -13.838 -34.876 11.463 1.00 19.79 N ATOM 1077 CA ALA A 122 -13.896 -35.568 12.751 1.00 19.38 C ATOM 1078 C ALA A 122 -12.717 -36.523 12.901 1.00 18.78 C ATOM 1079 O ALA A 122 -12.114 -36.596 13.972 1.00 18.63 O ATOM 1080 CB ALA A 122 -15.203 -36.318 12.902 1.00 20.34 C ATOM 1081 H ALA A 122 -14.591 -35.035 10.763 1.00 0.00 H ATOM 1082 N PHE A 123 -12.388 -37.232 11.818 1.00 19.15 N ATOM 1083 CA PHE A 123 -11.267 -38.167 11.838 1.00 18.98 C ATOM 1084 C PHE A 123 -9.966 -37.417 12.116 1.00 18.47 C ATOM 1085 O PHE A 123 -9.149 -37.872 12.924 1.00 19.28 O ATOM 1086 CB PHE A 123 -11.142 -38.921 10.503 1.00 19.19 C ATOM 1087 CG PHE A 123 -12.387 -39.661 10.075 1.00 20.41 C ATOM 1088 CD1 PHE A 123 -12.573 -39.989 8.732 1.00 20.79 C ATOM 1089 CD2 PHE A 123 -13.365 -40.040 10.997 1.00 19.61 C ATOM 1090 CE1 PHE A 123 -13.713 -40.679 8.315 1.00 21.88 C ATOM 1091 CE2 PHE A 123 -14.516 -40.722 10.587 1.00 21.74 C ATOM 1092 CZ PHE A 123 -14.688 -41.040 9.243 1.00 21.38 C ATOM 1093 H PHE A 123 -12.940 -37.116 10.945 1.00 0.00 H ATOM 1094 N CYS A 124 -9.777 -36.277 11.443 1.00 18.60 N ATOM 1095 CA CYS A 124 -8.572 -35.478 11.659 1.00 19.20 C ATOM 1096 C CYS A 124 -8.434 -35.047 13.117 1.00 18.56 C ATOM 1097 O CYS A 124 -7.363 -35.170 13.716 1.00 18.46 O ATOM 1098 CB CYS A 124 -8.555 -34.193 10.841 1.00 21.06 C ATOM 1099 SG CYS A 124 -8.873 -34.179 9.056 1.00 27.07 S ATOM 1100 H CYS A 124 -10.493 -35.956 10.760 1.00 0.00 H ATOM 1101 N LEU A 125 -9.508 -34.492 13.680 1.00 17.78 N ATOM 1102 CA LEU A 125 -9.478 -34.081 15.080 1.00 17.38 C ATOM 1103 C LEU A 125 -9.076 -35.224 15.999 1.00 16.60 C ATOM 1104 O LEU A 125 -8.247 -35.046 16.899 1.00 16.84 O ATOM 1105 CB LEU A 125 -10.829 -33.497 15.503 1.00 17.67 C ATOM 1106 CG LEU A 125 -11.097 -32.116 14.895 1.00 18.49 C ATOM 1107 CD1 LEU A 125 -12.592 -31.768 14.925 1.00 20.28 C ATOM 1108 CD2 LEU A 125 -10.304 -31.029 15.611 1.00 19.61 C ATOM 1109 H LEU A 125 -10.372 -34.351 13.118 1.00 0.00 H ATOM 1110 N GLN A 126 -9.640 -36.411 15.770 1.00 16.98 N ATOM 1111 CA GLN A 126 -9.299 -37.563 16.612 1.00 16.73 C ATOM 1112 C GLN A 126 -7.845 -37.974 16.428 1.00 16.37 C ATOM 1113 O GLN A 126 -7.158 -38.296 17.401 1.00 17.06 O ATOM 1114 CB GLN A 126 -10.219 -38.745 16.299 1.00 17.95 C ATOM 1115 CG GLN A 126 -11.637 -38.508 16.801 1.00 18.08 C ATOM 1116 CD GLN A 126 -12.634 -39.486 16.227 1.00 18.38 C ATOM 1117 OE1 GLN A 126 -12.803 -40.591 16.745 1.00 20.57 O ATOM 1118 NE2 GLN A 126 -13.312 -39.084 15.154 1.00 19.85 N ATOM 1119 HE22 GLN A 126 -13.136 -38.142 14.751 1.00 0.00 H ATOM 1120 HE21 GLN A 126 -14.018 -39.712 14.719 1.00 0.00 H ATOM 1121 H GLN A 126 -10.323 -36.520 14.993 1.00 0.00 H ATOM 1122 N HIS A 127 -7.380 -37.917 15.187 1.00 16.52 N ATOM 1123 CA HIS A 127 -5.984 -38.269 14.860 1.00 16.42 C ATOM 1124 C HIS A 127 -5.019 -37.339 15.599 1.00 15.79 C ATOM 1125 O HIS A 127 -4.043 -37.797 16.209 1.00 15.53 O ATOM 1126 CB HIS A 127 -5.800 -38.177 13.336 1.00 16.37 C ATOM 1127 CG HIS A 127 -4.423 -38.519 12.839 1.00 17.00 C ATOM 1128 ND1 HIS A 127 -4.154 -39.642 12.077 1.00 17.95 N ATOM 1129 CD2 HIS A 127 -3.251 -37.849 12.945 1.00 16.20 C ATOM 1130 CE1 HIS A 127 -2.871 -39.655 11.757 1.00 17.59 C ATOM 1131 NE2 HIS A 127 -2.302 -38.580 12.270 1.00 16.58 N ATOM 1132 H HIS A 127 -8.017 -37.616 14.422 1.00 0.00 H ATOM 1133 N GLU A 128 -5.307 -36.030 15.573 1.00 15.69 N ATOM 1134 CA GLU A 128 -4.402 -35.048 16.193 1.00 15.58 C ATOM 1135 C GLU A 128 -4.446 -35.108 17.717 1.00 16.46 C ATOM 1136 O GLU A 128 -3.410 -34.996 18.389 1.00 16.82 O ATOM 1137 CB GLU A 128 -4.689 -33.617 15.715 1.00 16.16 C ATOM 1138 CG GLU A 128 -4.649 -33.381 14.199 1.00 17.56 C ATOM 1139 CD GLU A 128 -3.452 -34.015 13.484 1.00 17.58 C ATOM 1140 OE1 GLU A 128 -2.392 -34.260 14.116 1.00 18.75 O ATOM 1141 OE2 GLU A 128 -3.587 -34.253 12.265 1.00 18.18 O ATOM 1142 H GLU A 128 -6.179 -35.705 15.110 1.00 0.00 H ATOM 1143 N ILE A 129 -5.644 -35.267 18.277 1.00 16.15 N ATOM 1144 CA ILE A 129 -5.755 -35.371 19.732 1.00 17.20 C ATOM 1145 C ILE A 129 -5.045 -36.639 20.210 1.00 17.42 C ATOM 1146 O ILE A 129 -4.346 -36.628 21.236 1.00 17.77 O ATOM 1147 CB ILE A 129 -7.205 -35.281 20.194 1.00 17.66 C ATOM 1148 CG1 ILE A 129 -7.719 -33.886 19.867 1.00 18.08 C ATOM 1149 CG2 ILE A 129 -7.301 -35.510 21.723 1.00 18.70 C ATOM 1150 CD1 ILE A 129 -9.216 -33.708 20.091 1.00 20.05 C ATOM 1151 H ILE A 129 -6.496 -35.317 17.683 1.00 0.00 H ATOM 1152 N ASP A 130 -5.179 -37.728 19.450 1.00 17.28 N ATOM 1153 CA ASP A 130 -4.434 -38.947 19.772 1.00 17.17 C ATOM 1154 C ASP A 130 -2.935 -38.639 19.896 1.00 16.74 C ATOM 1155 O ASP A 130 -2.274 -39.092 20.834 1.00 17.23 O ATOM 1156 CB ASP A 130 -4.645 -40.023 18.698 1.00 17.90 C ATOM 1157 CG ASP A 130 -5.888 -40.877 18.912 1.00 20.11 C ATOM 1158 OD1 ASP A 130 -6.110 -41.781 18.069 1.00 20.51 O ATOM 1159 OD2 ASP A 130 -6.622 -40.688 19.904 1.00 22.58 O ATOM 1160 H ASP A 130 -5.814 -37.711 18.627 1.00 0.00 H ATOM 1161 N HIS A 131 -2.385 -37.886 18.937 1.00 16.19 N ATOM 1162 CA HIS A 131 -0.956 -37.562 18.998 1.00 16.06 C ATOM 1163 C HIS A 131 -0.586 -36.933 20.337 1.00 16.43 C ATOM 1164 O HIS A 131 0.476 -37.218 20.876 1.00 17.28 O ATOM 1165 CB HIS A 131 -0.540 -36.573 17.914 1.00 15.83 C ATOM 1166 CG HIS A 131 -0.185 -37.192 16.594 1.00 15.54 C ATOM 1167 ND1 HIS A 131 0.907 -38.018 16.426 1.00 16.53 N ATOM 1168 CD2 HIS A 131 -0.754 -37.067 15.372 1.00 15.68 C ATOM 1169 CE1 HIS A 131 0.988 -38.379 15.157 1.00 17.16 C ATOM 1170 NE2 HIS A 131 -0.003 -37.810 14.495 1.00 16.21 N ATOM 1171 H HIS A 131 -2.968 -37.532 18.152 1.00 0.00 H ATOM 1172 N LEU A 132 -1.464 -36.069 20.851 1.00 16.18 N ATOM 1173 CA LEU A 132 -1.186 -35.354 22.093 1.00 16.63 C ATOM 1174 C LEU A 132 -1.101 -36.296 23.290 1.00 17.41 C ATOM 1175 O LEU A 132 -0.533 -35.945 24.339 1.00 18.64 O ATOM 1176 CB LEU A 132 -2.262 -34.295 22.365 1.00 16.28 C ATOM 1177 CG LEU A 132 -2.379 -33.147 21.364 1.00 15.95 C ATOM 1178 CD1 LEU A 132 -3.456 -32.183 21.858 1.00 17.62 C ATOM 1179 CD2 LEU A 132 -1.056 -32.426 21.135 1.00 17.19 C ATOM 1180 H LEU A 132 -2.364 -35.902 20.357 1.00 0.00 H ATOM 1181 N ASN A 133 -1.706 -37.474 23.142 1.00 17.50 N ATOM 1182 CA ASN A 133 -1.676 -38.500 24.182 1.00 18.90 C ATOM 1183 C ASN A 133 -0.605 -39.556 23.914 1.00 19.30 C ATOM 1184 O ASN A 133 -0.505 -40.551 24.632 1.00 19.49 O ATOM 1185 CB ASN A 133 -3.056 -39.154 24.299 1.00 19.45 C ATOM 1186 CG ASN A 133 -4.117 -38.168 24.713 1.00 20.59 C ATOM 1187 OD1 ASN A 133 -3.849 -37.246 25.497 1.00 23.19 O ATOM 1188 ND2 ASN A 133 -5.331 -38.352 24.197 1.00 22.76 N ATOM 1189 HD22 ASN A 133 -5.504 -39.142 23.543 1.00 0.00 H ATOM 1190 HD21 ASN A 133 -6.106 -37.706 24.448 1.00 0.00 H ATOM 1191 H ASN A 133 -2.216 -37.670 22.257 1.00 0.00 H ATOM 1192 N GLY A 134 0.196 -39.338 22.872 1.00 19.11 N ATOM 1193 CA GLY A 134 1.239 -40.291 22.481 1.00 19.19 C ATOM 1194 C GLY A 134 0.690 -41.498 21.756 1.00 19.73 C ATOM 1195 O GLY A 134 1.314 -42.564 21.750 1.00 20.75 O ATOM 1196 H GLY A 134 0.078 -38.465 22.319 1.00 0.00 H ATOM 1197 N VAL A 135 -0.476 -41.337 21.146 1.00 18.48 N ATOM 1198 CA VAL A 135 -1.145 -42.442 20.476 1.00 18.52 C ATOM 1199 C VAL A 135 -1.019 -42.190 18.978 1.00 17.86 C ATOM 1200 O VAL A 135 -1.367 -41.112 18.496 1.00 16.95 O ATOM 1201 CB VAL A 135 -2.618 -42.524 20.921 1.00 18.45 C ATOM 1202 CG1 VAL A 135 -3.415 -43.511 20.053 1.00 19.99 C ATOM 1203 CG2 VAL A 135 -2.685 -42.928 22.395 1.00 20.21 C ATOM 1204 H VAL A 135 -0.923 -40.398 21.146 1.00 0.00 H ATOM 1205 N THR A 136 -0.512 -43.181 18.247 1.00 19.63 N ATOM 1206 CA THR A 136 -0.232 -43.041 16.817 1.00 20.64 C ATOM 1207 C THR A 136 -0.856 -44.196 16.030 1.00 20.83 C ATOM 1208 O THR A 136 -1.166 -45.241 16.611 1.00 21.99 O ATOM 1209 CB THR A 136 1.282 -42.993 16.547 1.00 21.58 C ATOM 1210 OG1 THR A 136 1.906 -44.164 17.073 1.00 24.75 O ATOM 1211 CG2 THR A 136 1.900 -41.774 17.205 1.00 23.75 C ATOM 1212 HG1 THR A 136 2.879 -44.126 16.896 1.00 0.00 H ATOM 1213 H THR A 136 -0.307 -44.089 18.710 1.00 0.00 H ATOM 1214 N ILE A 137 -1.031 -44.012 14.721 1.00 20.17 N ATOM 1215 CA ILE A 137 -1.723 -45.011 13.882 1.00 22.06 C ATOM 1216 C ILE A 137 -0.951 -46.329 13.759 1.00 23.19 C ATOM 1217 O ILE A 137 0.276 -46.335 13.775 1.00 24.37 O ATOM 1218 CB ILE A 137 -2.092 -44.435 12.477 1.00 20.81 C ATOM 1219 CG1 ILE A 137 -0.832 -44.120 11.661 1.00 21.34 C ATOM 1220 CG2 ILE A 137 -3.024 -43.204 12.600 1.00 22.40 C ATOM 1221 CD1 ILE A 137 -1.120 -43.795 10.183 1.00 22.60 C ATOM 1222 OXT ILE A 137 -1.631 -47.381 13.581 1.00 91.59 O ATOM 1223 H ILE A 137 -0.671 -43.142 14.279 1.00 0.00 H TER 1224 ILE A 137 HETATM 1225 ZN ZN A 1 -0.330 -37.926 12.401 1.00 16.38 ZN HETATM 1226 O HOH 3 -15.967 -41.296 25.093 1.00 27.23 O HETATM 1227 O HOH 4 8.548 -42.737 18.061 1.00 37.69 O HETATM 1228 O HOH 5 -21.650 -41.541 22.536 1.00 39.41 O HETATM 1229 O HOH 6 7.759 -18.353 14.310 1.00 32.74 O HETATM 1230 O HOH 7 -3.673 -47.856 14.982 1.00 36.91 O HETATM 1231 O HOH 8 1.641 -42.422 6.527 1.00 28.59 O HETATM 1232 O HOH 9 2.292 -44.354 23.321 1.00 31.06 O HETATM 1233 O HOH 10 -0.684 -49.718 13.048 1.00 28.21 O HETATM 1234 O HOH 11 -19.918 -29.210 26.162 1.00 35.71 O HETATM 1235 O HOH 12 6.936 -36.513 13.699 1.00 21.26 O HETATM 1236 O HOH 13 0.665 -27.474 32.033 1.00 34.67 O HETATM 1237 O HOH 14 -13.627 -37.347 25.641 1.00 34.09 O HETATM 1238 O HOH 15 -10.602 -17.367 27.831 1.00 46.83 O HETATM 1239 O HOH 16 -0.078 -17.654 14.618 1.00 36.17 O HETATM 1240 O HOH 17 -9.313 -50.910 12.308 1.00 32.86 O HETATM 1241 O HOH 18 -4.871 -24.072 30.714 1.00 37.12 O HETATM 1242 O HOH 19 2.238 -39.919 5.660 1.00 44.18 O HETATM 1243 O HOH 20 -4.015 -44.954 16.829 1.00 35.57 O HETATM 1244 O HOH 21 -19.396 -43.136 15.403 1.00 25.29 O HETATM 1245 O HOH 22 -17.707 -31.812 9.586 1.00 25.22 O HETATM 1246 O HOH 23 -10.068 -14.726 18.451 1.00 30.93 O HETATM 1247 O HOH 24 -8.845 -21.525 15.832 1.00 28.65 O HETATM 1248 O HOH 25 -1.784 -42.487 3.310 1.00 32.44 O HETATM 1249 O HOH 26 -7.537 -33.863 25.220 1.00 21.53 O HETATM 1250 O HOH 27 -9.771 -27.007 26.909 1.00 26.94 O HETATM 1251 O HOH 28 9.006 -38.953 10.431 1.00 25.30 O HETATM 1252 O HOH 29 -18.767 -33.794 27.941 1.00 27.32 O HETATM 1253 O HOH 30 -3.963 -36.901 28.172 1.00 39.39 O HETATM 1254 O HOH 31 6.890 -36.595 6.693 1.00 29.59 O HETATM 1255 O HOH 32 7.226 -28.188 1.077 1.00 18.98 O HETATM 1256 O HOH 33 -14.170 -34.868 27.643 1.00 38.19 O HETATM 1257 O HOH 34 -16.390 -28.771 11.823 1.00 30.30 O HETATM 1258 O HOH 35 -6.152 -40.493 22.600 1.00 26.40 O HETATM 1259 O HOH 36 -4.334 -42.217 16.018 1.00 19.84 O HETATM 1260 O HOH 37 -9.787 -41.044 6.762 1.00 21.14 O HETATM 1261 O HOH 38 2.242 -38.278 18.939 1.00 17.97 O HETATM 1262 O HOH 39 -19.477 -47.236 21.033 1.00 47.14 O HETATM 1263 O HOH 40 -4.318 -32.444 30.026 1.00 45.44 O HETATM 1264 O HOH 41 -6.019 -30.779 25.616 1.00 20.70 O HETATM 1265 O HOH 42 -3.455 -23.033 11.836 1.00 30.98 O HETATM 1266 O HOH 43 5.940 -29.590 27.863 1.00 34.87 O HETATM 1267 O HOH 44 -18.854 -26.394 14.626 1.00 39.56 O HETATM 1268 O HOH 45 -15.204 -33.275 6.866 1.00 28.81 O HETATM 1269 O HOH 46 -1.485 -16.827 22.241 1.00 29.04 O HETATM 1270 O HOH 47 4.340 -16.248 20.338 1.00 33.03 O HETATM 1271 O HOH 48 4.345 -20.679 23.646 1.00 45.57 O HETATM 1272 O HOH 49 4.142 -39.031 28.704 1.00 33.77 O HETATM 1273 O HOH 50 -16.433 -44.189 7.022 1.00 39.62 O HETATM 1274 O HOH 51 9.971 -25.661 8.818 1.00 26.82 O HETATM 1275 O HOH 52 0.342 -46.435 2.033 1.00 25.38 O HETATM 1276 O HOH 53 -24.506 -42.265 18.636 1.00 41.82 O HETATM 1277 O HOH 54 -15.914 -24.543 24.259 1.00 29.77 O HETATM 1278 O HOH 55 -4.147 -22.437 33.245 1.00 49.20 O HETATM 1279 O HOH 56 -15.450 -23.627 15.344 1.00 43.60 O HETATM 1280 O HOH 57 -13.524 -24.066 25.515 1.00 28.66 O HETATM 1281 O HOH 58 5.655 -24.021 4.850 1.00 21.54 O HETATM 1282 O HOH 59 -1.151 -33.531 29.881 1.00 40.89 O HETATM 1283 O HOH 60 8.005 -24.293 10.950 1.00 27.45 O HETATM 1284 O HOH 61 -22.900 -40.653 12.747 1.00 37.52 O HETATM 1285 O HOH 62 -9.037 -30.290 3.661 1.00 39.31 O HETATM 1286 O HOH 63 0.476 -35.010 0.990 1.00 36.00 O HETATM 1287 O HOH 64 12.615 -26.669 8.428 1.00 29.42 O HETATM 1288 O HOH 65 1.443 -22.446 5.755 1.00 27.70 O HETATM 1289 O HOH 66 -2.308 -40.121 15.992 1.00 16.71 O HETATM 1290 O HOH 67 1.386 -50.296 11.212 1.00 30.20 O HETATM 1291 O HOH 68 -10.584 -42.152 17.637 1.00 26.18 O HETATM 1292 O HOH 69 -4.336 -24.207 9.525 1.00 27.62 O HETATM 1293 O HOH 70 -20.948 -47.029 13.196 1.00 39.16 O HETATM 1294 O HOH 71 10.758 -28.885 15.175 1.00 25.13 O HETATM 1295 O HOH 72 7.542 -29.661 7.664 1.00 25.35 O HETATM 1296 O HOH 73 -6.978 -44.520 17.873 1.00 33.02 O HETATM 1297 O HOH 74 -16.684 -21.916 18.327 1.00 31.95 O HETATM 1298 O HOH 75 -2.737 -34.823 2.957 1.00 40.06 O HETATM 1299 O HOH 76 -9.843 -20.108 9.569 1.00 40.96 O HETATM 1300 O HOH 77 2.624 -26.483 28.197 1.00 38.10 O HETATM 1301 O HOH 78 -15.983 -36.614 5.161 1.00 35.16 O HETATM 1302 O HOH 79 8.271 -29.431 24.497 1.00 35.04 O HETATM 1303 O HOH 80 -19.664 -49.638 15.333 1.00 36.31 O HETATM 1304 O HOH 81 3.143 -16.047 27.443 1.00 32.87 O HETATM 1305 O HOH 82 -0.488 -41.214 14.116 1.00 20.42 O HETATM 1306 O HOH 83 -14.981 -27.106 27.319 1.00 39.49 O HETATM 1307 O HOH 84 -14.069 -41.847 21.391 1.00 32.67 O HETATM 1308 O HOH 85 -0.633 -31.278 31.505 1.00 34.72 O HETATM 1309 O HOH 86 2.328 -41.515 3.975 1.00 34.33 O HETATM 1310 O HOH 87 -10.469 -35.378 24.993 1.00 41.07 O HETATM 1311 O HOH 88 -8.981 -38.893 19.806 1.00 36.87 O HETATM 1312 O HOH 89 -17.535 -47.604 8.107 1.00 34.41 O HETATM 1313 O HOH 90 13.467 -34.739 11.769 1.00 37.19 O HETATM 1314 O HOH 91 13.429 -26.254 11.251 1.00 30.17 O HETATM 1315 O HOH 92 -13.598 -42.837 5.407 1.00 36.69 O HETATM 1316 O HOH 93 10.815 -28.362 18.923 1.00 39.49 O HETATM 1317 O HOH 94 4.673 -18.978 20.624 1.00 28.57 O HETATM 1318 O HOH 95 11.143 -40.765 9.883 1.00 35.67 O HETATM 1319 O HOH 96 -7.656 -36.631 25.098 1.00 30.27 O HETATM 1320 O HOH 97 -12.778 -23.095 9.710 1.00 32.13 O HETATM 1321 O HOH 98 10.794 -31.866 8.368 1.00 32.53 O HETATM 1322 O HOH 99 -20.620 -33.346 15.618 1.00 36.08 O HETATM 1323 O HOH 100 -8.966 -28.980 28.921 1.00 38.72 O HETATM 1324 O HOH 101 -7.099 -23.241 29.415 1.00 43.33 O HETATM 1325 O HOH 102 10.774 -22.854 13.628 1.00 40.69 O HETATM 1326 O HOH 103 -1.683 -14.818 24.632 1.00 42.36 O HETATM 1327 O HOH 104 -6.973 -19.030 16.267 1.00 29.83 O HETATM 1328 O HOH 105 -17.888 -33.104 7.086 1.00 39.09 O HETATM 1329 O HOH 106 14.426 -36.713 22.439 1.00 40.45 O HETATM 1330 O HOH 107 8.283 -46.206 14.294 1.00 47.54 O HETATM 1331 O HOH 108 8.122 -43.776 8.192 1.00 28.58 O HETATM 1332 O HOH 109 -11.917 -49.699 10.141 1.00 37.46 O HETATM 1333 O HOH 110 -21.411 -44.329 13.966 1.00 35.84 O HETATM 1334 O HOH 111 -8.080 -25.636 28.803 1.00 35.08 O HETATM 1335 O HOH 112 -14.528 -42.477 23.472 1.00 38.52 O HETATM 1336 O HOH 113 -5.018 -49.759 4.749 1.00 43.62 O HETATM 1337 O HOH 114 6.702 -15.492 21.454 1.00 48.56 O HETATM 1338 O HOH 115 -20.404 -41.260 24.929 1.00 38.78 O HETATM 1339 O HOH 116 1.945 -20.824 8.334 1.00 32.42 O HETATM 1340 O HOH 117 9.504 -18.425 16.339 1.00 43.83 O HETATM 1341 O HOH 118 -10.362 -25.411 4.710 1.00 38.91 O HETATM 1342 O HOH 119 -9.774 -14.477 27.352 1.00 43.87 O HETATM 1343 O HOH 120 0.174 -17.212 31.114 1.00 69.39 O HETATM 1344 O HOH 121 1.620 -44.048 1.321 1.00 38.35 O HETATM 1345 O HOH 122 9.563 -27.739 7.131 1.00 25.76 O HETATM 1346 O HOH 123 9.224 -37.616 8.242 1.00 34.65 O HETATM 1347 O HOH 124 -18.601 -35.624 6.136 1.00 42.95 O HETATM 1348 O HOH 125 -14.274 -50.068 10.894 1.00 45.82 O HETATM 1349 O HOH 126 -21.585 -31.952 12.478 1.00 48.68 O HETATM 1350 O HOH 127 -21.633 -35.991 18.593 1.00 45.78 O HETATM 1351 O HOH 128 -12.499 -26.247 26.898 1.00 32.02 O HETATM 1352 O HOH 129 -6.311 -40.000 27.598 1.00 44.85 O HETATM 1353 O HOH 130 -15.792 -50.719 13.673 1.00 55.00 O HETATM 1354 O HOH 131 -3.406 -39.532 28.672 1.00 35.69 O HETATM 1355 O HOH 132 -3.335 -24.203 6.821 1.00 33.66 O HETATM 1356 O HOH 133 -3.959 -20.578 12.999 1.00 31.26 O HETATM 1357 O HOH 134 4.131 -35.865 31.184 1.00 40.83 O HETATM 1358 O HOH 135 3.954 -43.016 0.274 1.00 48.12 O HETATM 1359 O HOH 136 -7.509 -33.398 28.005 1.00 29.74 O HETATM 1360 O HOH 137 14.757 -35.255 14.234 1.00 41.24 O HETATM 1361 O HOH 138 9.829 -30.442 4.186 1.00 37.40 O HETATM 1362 O HOH 139 -8.098 -16.915 15.232 1.00 37.38 O HETATM 1363 O HOH 140 0.419 -41.709 2.051 1.00 38.55 O HETATM 1364 O HOH 141 -4.686 -21.612 9.141 1.00 36.03 O HETATM 1365 O HOH 142 0.847 -34.428 31.403 1.00 45.83 O HETATM 1366 O HOH 143 8.702 -31.734 6.496 1.00 30.03 O HETATM 1367 O HOH 144 -15.360 -33.954 4.240 1.00 37.98 O HETATM 1368 O HOH 145 6.079 -37.300 4.258 1.00 32.21 O HETATM 1369 O HOH 146 -0.293 -19.488 8.933 1.00 49.09 O HETATM 1370 O HOH 147 4.383 -23.944 32.077 1.00 54.13 O HETATM 1371 O HOH 148 -5.170 -47.777 1.754 1.00 65.00 O HETATM 1372 O HOH 149 3.391 -38.415 4.049 1.00 38.95 O HETATM 1373 O HOH 150 2.014 -37.276 1.709 1.00 48.73 O HETATM 1374 O HOH 151 -11.766 -40.641 4.987 1.00 29.76 O HETATM 1375 O HOH 152 7.816 -34.203 5.748 1.00 39.31 O HETATM 1376 O HOH 153 8.294 -28.396 26.748 1.00 36.90 O HETATM 1377 O HOH 154 -4.719 -34.063 1.530 1.00 37.87 O HETATM 1378 O HOH 155 -22.627 -34.274 16.953 1.00 42.74 O HETATM 1379 O HOH 156 9.445 -41.031 3.157 1.00 34.69 O HETATM 1380 O HOH 157 -1.640 -22.128 5.861 1.00 34.73 O HETATM 1381 O HOH 158 -11.449 -52.329 7.266 1.00 46.07 O HETATM 1382 O HOH 159 -18.683 -31.741 4.713 1.00 51.64 O HETATM 1383 O HOH 160 -13.838 -35.026 2.168 1.00 37.72 O HETATM 1384 O HOH 161 8.403 -38.494 3.066 1.00 45.50 O HETATM 1385 O HOH 162 0.067 -33.871 34.304 1.00 53.65 O HETATM 1386 C5 BB A 2 -1.289 -35.542 9.037 1.00 0.06 C HETATM 1387 C3 BB A 2 -0.803 -36.042 10.385 1.00 0.20 C HETATM 1388 O4 BB A 2 0.034 -36.944 10.495 1.00 -0.40 O HETATM 1389 N1 BB A 2 -1.362 -35.446 11.427 1.00 -0.16 N HETATM 1390 O2 BB A 2 -0.972 -35.874 12.653 1.00 -0.27 O HETATM 1391 H4 BB A 2 -1.433 -35.381 13.321 1.00 0.25 H HETATM 1392 H3 BB A 2 -2.038 -34.717 11.315 1.00 0.22 H HETATM 1393 C6 BB A 2 -2.352 -36.512 8.513 1.00 0.07 C HETATM 1394 C12 BB A 2 -2.564 -36.380 7.009 1.00 0.18 C HETATM 1395 O13 BB A 2 -2.603 -35.285 6.440 1.00 -0.40 O HETATM 1396 N14 BB A 2 -2.718 -37.564 6.420 1.00 -0.27 N HETATM 1397 C15 BB A 2 -3.033 -37.715 4.996 1.00 0.13 C HETATM 1398 C16 BB A 2 -1.862 -38.259 4.145 1.00 -0.01 C HETATM 1399 C18 BB A 2 -0.609 -37.384 4.235 1.00 -0.06 C HETATM 1400 H20 BB A 2 0.187 -37.818 3.612 1.00 0.02 H HETATM 1401 H21 BB A 2 -0.271 -37.334 5.280 1.00 0.02 H HETATM 1402 H22 BB A 2 -0.843 -36.371 3.877 1.00 0.02 H HETATM 1403 C17 BB A 2 -1.489 -39.692 4.468 1.00 -0.06 C HETATM 1404 H23 BB A 2 -2.385 -40.327 4.405 1.00 0.02 H HETATM 1405 H24 BB A 2 -1.074 -39.742 5.486 1.00 0.02 H HETATM 1406 H25 BB A 2 -0.737 -40.047 3.748 1.00 0.02 H HETATM 1407 H19 BB A 2 -2.202 -38.240 3.099 1.00 0.03 H HETATM 1408 C19 BB A 2 -4.285 -38.628 4.972 1.00 0.20 C HETATM 1409 O20 BB A 2 -4.360 -39.637 5.686 1.00 -0.39 O HETATM 1410 N21 BB A 2 -5.337 -38.329 4.213 1.00 -0.27 N HETATM 1411 C22 BB A 2 -6.555 -39.156 4.164 1.00 0.07 C HETATM 1412 C25 BB A 2 -7.583 -38.242 3.486 1.00 -0.03 C HETATM 1413 C24 BB A 2 -6.745 -37.344 2.573 1.00 -0.03 C HETATM 1414 C23 BB A 2 -5.431 -37.147 3.328 1.00 0.03 C HETATM 1415 H27 BB A 2 -4.582 -37.114 2.630 1.00 0.05 H HETATM 1416 H28 BB A 2 -5.456 -36.219 3.918 1.00 0.05 H HETATM 1417 H29 BB A 2 -6.567 -37.833 1.604 1.00 0.03 H HETATM 1418 H30 BB A 2 -7.247 -36.379 2.409 1.00 0.03 H HETATM 1419 H31 BB A 2 -8.124 -37.642 4.233 1.00 0.03 H HETATM 1420 H32 BB A 2 -8.302 -38.832 2.899 1.00 0.03 H HETATM 1421 C26 BB A 2 -6.303 -40.422 3.322 1.00 0.07 C HETATM 1422 O27 BB A 2 -7.366 -41.353 3.501 1.00 -0.39 O HETATM 1423 H35 BB A 2 -7.422 -41.595 4.418 1.00 0.21 H HETATM 1424 H33 BB A 2 -5.357 -40.886 3.638 1.00 0.06 H HETATM 1425 H34 BB A 2 -6.238 -40.145 2.260 1.00 0.06 H HETATM 1426 H26 BB A 2 -6.884 -39.441 5.174 1.00 0.06 H HETATM 1427 H18 BB A 2 -3.301 -36.730 4.585 1.00 0.08 H HETATM 1428 H17 BB A 2 -2.614 -38.389 6.975 1.00 0.19 H HETATM 1429 C7 BB A 2 -3.708 -36.235 9.203 1.00 -0.03 C HETATM 1430 C8 BB A 2 -4.718 -37.346 8.891 1.00 -0.05 C HETATM 1431 C9 BB A 2 -6.037 -37.150 9.639 1.00 -0.05 C HETATM 1432 C10 BB A 2 -7.051 -38.276 9.369 1.00 -0.06 C HETATM 1433 C11 BB A 2 -7.141 -38.604 7.881 1.00 -0.07 C HETATM 1434 H14 BB A 2 -7.873 -39.410 7.727 1.00 0.02 H HETATM 1435 H15 BB A 2 -6.155 -38.929 7.517 1.00 0.02 H HETATM 1436 H16 BB A 2 -7.460 -37.709 7.327 1.00 0.02 H HETATM 1437 H12 BB A 2 -8.042 -37.958 9.725 1.00 0.03 H HETATM 1438 H13 BB A 2 -6.737 -39.178 9.915 1.00 0.03 H HETATM 1439 H10 BB A 2 -6.481 -36.194 9.323 1.00 0.03 H HETATM 1440 H11 BB A 2 -5.827 -37.118 10.718 1.00 0.03 H HETATM 1441 H8 BB A 2 -4.284 -38.313 9.185 1.00 0.03 H HETATM 1442 H9 BB A 2 -4.920 -37.348 7.810 1.00 0.03 H HETATM 1443 H6 BB A 2 -4.106 -35.275 8.843 1.00 0.03 H HETATM 1444 H7 BB A 2 -3.554 -36.183 10.291 1.00 0.03 H HETATM 1445 H5 BB A 2 -2.029 -37.539 8.740 1.00 0.06 H HETATM 1446 H1 BB A 2 -0.446 -35.499 8.332 1.00 0.05 H HETATM 1447 H2 BB A 2 -1.725 -34.538 9.149 1.00 0.05 H CONECT 1 0 9 10 11 CONECT 1 2 CONECT 9 1 CONECT 10 1 CONECT 11 1 CONECT 728 727 1225 CONECT 1131 1129 1130 1225 CONECT 1170 1168 1169 1225 CONECT 1225 728 1131 1170 CONECT 1386 1387 1393 1446 1447 CONECT 1387 1386 1388 1389 CONECT 1388 1387 CONECT 1389 1387 1390 1392 CONECT 1390 1389 1391 CONECT 1391 1390 CONECT 1392 1389 CONECT 1393 1386 1394 1429 1445 CONECT 1394 1393 1395 1396 CONECT 1395 1394 CONECT 1396 1394 1397 1428 CONECT 1397 1396 1398 1408 1427 CONECT 1398 1397 1399 1403 1407 CONECT 1399 1398 1400 1401 1402 CONECT 1400 1399 CONECT 1401 1399 CONECT 1402 1399 CONECT 1403 1398 1404 1405 1406 CONECT 1404 1403 CONECT 1405 1403 CONECT 1406 1403 CONECT 1407 1398 CONECT 1408 1397 1409 1410 CONECT 1409 1408 CONECT 1410 1408 1411 1414 CONECT 1411 1410 1412 1421 1426 CONECT 1412 1411 1413 1419 1420 CONECT 1413 1412 1414 1417 1418 CONECT 1414 1410 1413 1415 1416 CONECT 1415 1414 CONECT 1416 1414 CONECT 1417 1413 CONECT 1418 1413 CONECT 1419 1412 CONECT 1420 1412 CONECT 1421 1411 1422 1424 1425 CONECT 1422 1421 1423 CONECT 1423 1422 CONECT 1424 1421 CONECT 1425 1421 CONECT 1426 1411 CONECT 1427 1397 CONECT 1428 1396 CONECT 1429 1393 1430 1443 1444 CONECT 1430 1429 1431 1441 1442 CONECT 1431 1430 1432 1439 1440 CONECT 1432 1431 1433 1437 1438 CONECT 1433 1432 1434 1435 1436 CONECT 1434 1433 CONECT 1435 1433 CONECT 1436 1433 CONECT 1437 1432 CONECT 1438 1432 CONECT 1439 1431 CONECT 1440 1431 CONECT 1441 1430 CONECT 1442 1430 CONECT 1443 1429 CONECT 1444 1429 CONECT 1445 1393 CONECT 1446 1386 CONECT 1447 1386 MASTER 0 0 0 0 0 0 0 0 1446 1 71 11 END
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Structure:
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Related entries of code: 5mte
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Protein Sequence Similarity
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Complexes with the same small molecule ligand
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Entry Information
PDB ID
5mte
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Putative uncharacterized protein orf60T
Ligand Name
BB2
EC.Number
E.C.-.-.-.-
Resolution
1.4(Å)
Affinity (Kd/Ki/IC50)
Ki=167nM
Release Year
2017
Protein/NA Sequence
Check fasta file
Primary Reference
(2018) Biochim. Biophys. Acta Vol. 1866: pp. 348-355
Ligand Properties
Formula
C
1
9
H
3
5
N
3
O
5
Molecular Weight
385.498
Exact Mass
385.258
No. of atoms
62
No. of bonds
62
Polar Surface Area
118.97
LOGP Value
1.55 (
Computed with XLOGP3
)
1.92 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 4
No. of Hydrogen Bond Acceptors: 5
No. of Rotatable Bonds: 16
No. of Nitrogen and Oxygen Atoms: 8
No. of Rings: 1
Canonical SMILES
CCCCC[C@@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1CO)C(C)C)CC(=O)NO
InChI String
InChI=1S/C19H35N3O5/c1-4-5-6-8-14(11-16(24)21-27)18(25)20-17(13(2)3)19(26)22-10-7-9-15(22)12-23/h13-15,17,23,27H,4-12H2,1-3H3,(H,20,25)(H,21,24)/t14-,15+,17+/m1/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
Q6VT21
Entrez Gene ID
No matched NCBI Entrez Gene ID found!
ASD
Information of known allosteric effects of PDB entries
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