Browse entries in the PDBbind-CN Database
HEADER 5TDI_COMPLEX COMPND 5TDI_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 215 ALA PRO ASP SER VAL ASP TYR ARG LYS LYS GLY TYR VAL SEQRES 2 A 215 THR PRO VAL LYS ASN GLN GLY GLN CYS GLY SER CYS TRP SEQRES 3 A 215 ALA PHE SER SER VAL GLY ALA LEU GLU GLY GLN LEU LYS SEQRES 4 A 215 LYS LYS THR GLY LYS LEU LEU ASN LEU ALA PRO GLN ASN SEQRES 5 A 215 LEU VAL ASP CYS VAL SER GLU ASN ASP GLY CYS GLY GLY SEQRES 6 A 215 GLY TYR MET THR ASN ALA PHE GLN TYR VAL GLN LYS ASN SEQRES 7 A 215 ARG GLY ILE ASP SER GLU ASP ALA TYR PRO TYR VAL GLY SEQRES 8 A 215 GLN GLU GLU SER CYS MET TYR ASN PRO THR GLY LYS ALA SEQRES 9 A 215 ALA LYS CYS ARG GLY TYR ARG GLU ILE PRO GLU GLY ASN SEQRES 10 A 215 GLU LYS ALA LEU LYS ARG ALA VAL ALA ARG VAL GLY PRO SEQRES 11 A 215 VAL SER VAL ALA ILE ASP ALA SER LEU THR SER PHE GLN SEQRES 12 A 215 PHE TYR SER LYS GLY VAL TYR TYR ASP GLU SER CYS ASN SEQRES 13 A 215 SER ASP ASN LEU ASN HIS ALA VAL LEU ALA VAL GLY TYR SEQRES 14 A 215 GLY ILE GLN LYS GLY ASN LYS HIS TRP ILE ILE LYS ASN SEQRES 15 A 215 SER TRP GLY GLU ASN TRP GLY ASN LYS GLY TYR ILE LEU SEQRES 16 A 215 MET ALA ARG ASN LYS ASN ASN ALA CYS GLY ILE ALA ASN SEQRES 17 A 215 LEU ALA SER PHE PRO LYS MET HET UNN A 494 66 SSBOND 1 CYS A 22 CYS A 63 SSBOND 2 CYS A 56 CYS A 96 SSBOND 3 CYS A 155 CYS A 204 ATOM 1 N ALA A 1 -27.767 -3.900 -8.158 1.00 35.82 N ATOM 2 CA ALA A 1 -26.905 -2.762 -7.857 1.00 32.71 C ATOM 3 C ALA A 1 -27.723 -1.482 -7.699 1.00 26.82 C ATOM 4 O ALA A 1 -28.751 -1.308 -8.353 1.00 32.10 O ATOM 5 CB ALA A 1 -25.838 -2.595 -8.940 1.00 35.51 C ATOM 6 HN3 ALA A 1 -28.280 -3.720 -9.045 1.00 0.00 H ATOM 7 HN2 ALA A 1 -28.448 -4.032 -7.383 1.00 0.00 H ATOM 8 HN1 ALA A 1 -27.186 -4.756 -8.260 1.00 0.00 H ATOM 9 N PRO A 2 -27.273 -0.583 -6.809 1.00 18.10 N ATOM 10 CA PRO A 2 -27.914 0.728 -6.650 1.00 14.83 C ATOM 11 C PRO A 2 -27.683 1.611 -7.879 1.00 11.94 C ATOM 12 O PRO A 2 -26.724 1.387 -8.624 1.00 13.92 O ATOM 13 CB PRO A 2 -27.185 1.335 -5.443 1.00 15.66 C ATOM 14 CG PRO A 2 -26.514 0.189 -4.758 1.00 24.34 C ATOM 15 CD PRO A 2 -26.207 -0.809 -5.818 1.00 17.65 C ATOM 16 N ASP A 3 -28.528 2.619 -8.070 1.00 12.54 N ATOM 17 CA ASP A 3 -28.350 3.556 -9.172 1.00 15.81 C ATOM 18 C ASP A 3 -27.068 4.365 -9.005 1.00 13.91 C ATOM 19 O ASP A 3 -26.464 4.778 -9.992 1.00 13.26 O ATOM 20 CB ASP A 3 -29.555 4.498 -9.307 1.00 13.61 C ATOM 21 CG ASP A 3 -30.762 3.821 -9.914 1.00 14.43 C ATOM 22 OD1 ASP A 3 -30.598 2.771 -10.571 1.00 17.38 O ATOM 23 OD2 ASP A 3 -31.878 4.349 -9.729 1.00 16.43 O ATOM 24 H ASP A 3 -29.331 2.741 -7.421 1.00 0.00 H ATOM 25 N SER A 4 -26.675 4.598 -7.758 1.00 11.13 N ATOM 26 CA SER A 4 -25.435 5.313 -7.490 1.00 13.36 C ATOM 27 C SER A 4 -24.735 4.801 -6.231 1.00 11.86 C ATOM 28 O SER A 4 -25.376 4.303 -5.296 1.00 12.80 O ATOM 29 CB SER A 4 -25.689 6.820 -7.406 1.00 19.97 C ATOM 30 OG SER A 4 -26.325 7.173 -6.194 1.00 23.15 O ATOM 31 HG SER A 4 -25.750 6.909 -5.432 1.00 0.00 H ATOM 32 H SER A 4 -27.259 4.266 -6.964 1.00 0.00 H ATOM 33 N VAL A 5 -23.407 4.904 -6.230 1.00 11.07 N ATOM 34 CA VAL A 5 -22.567 4.462 -5.130 1.00 11.13 C ATOM 35 C VAL A 5 -21.402 5.437 -5.031 1.00 8.49 C ATOM 36 O VAL A 5 -20.850 5.851 -6.053 1.00 9.73 O ATOM 37 CB VAL A 5 -21.997 3.050 -5.412 1.00 14.76 C ATOM 38 CG1 VAL A 5 -20.887 2.697 -4.425 1.00 16.91 C ATOM 39 CG2 VAL A 5 -23.095 2.008 -5.388 1.00 13.73 C ATOM 40 H VAL A 5 -22.946 5.324 -7.062 1.00 0.00 H ATOM 41 N ASP A 6 -21.019 5.810 -3.815 1.00 9.19 N ATOM 42 CA ASP A 6 -19.836 6.641 -3.623 1.00 8.68 C ATOM 43 C ASP A 6 -19.157 6.202 -2.337 1.00 7.68 C ATOM 44 O ASP A 6 -19.609 6.537 -1.241 1.00 9.50 O ATOM 45 CB ASP A 6 -20.235 8.124 -3.554 1.00 10.15 C ATOM 46 CG ASP A 6 -19.038 9.066 -3.541 1.00 11.02 C ATOM 47 OD1 ASP A 6 -17.898 8.625 -3.261 1.00 10.69 O ATOM 48 OD2 ASP A 6 -19.247 10.274 -3.800 1.00 14.99 O ATOM 49 H ASP A 6 -21.571 5.505 -2.988 1.00 0.00 H ATOM 50 N TYR A 7 -18.067 5.452 -2.470 1.00 7.90 N ATOM 51 CA TYR A 7 -17.396 4.907 -1.300 1.00 7.66 C ATOM 52 C TYR A 7 -16.689 5.946 -0.439 1.00 6.70 C ATOM 53 O TYR A 7 -16.348 5.659 0.700 1.00 8.49 O ATOM 54 CB TYR A 7 -16.465 3.748 -1.676 1.00 10.99 C ATOM 55 CG TYR A 7 -17.232 2.476 -1.938 1.00 7.81 C ATOM 56 CD1 TYR A 7 -17.813 1.769 -0.891 1.00 12.80 C ATOM 57 CD2 TYR A 7 -17.407 1.997 -3.230 1.00 8.78 C ATOM 58 CE1 TYR A 7 -18.538 0.611 -1.124 1.00 13.56 C ATOM 59 CE2 TYR A 7 -18.127 0.849 -3.472 1.00 10.18 C ATOM 60 CZ TYR A 7 -18.690 0.156 -2.415 1.00 10.96 C ATOM 61 OH TYR A 7 -19.399 -0.995 -2.653 1.00 14.32 O ATOM 62 HH TYR A 7 -19.730 -1.361 -1.795 1.00 0.00 H ATOM 63 H TYR A 7 -17.691 5.253 -3.419 1.00 0.00 H ATOM 64 N ARG A 8 -16.500 7.155 -0.959 1.00 6.80 N ATOM 65 CA ARG A 8 -15.982 8.243 -0.129 1.00 8.74 C ATOM 66 C ARG A 8 -16.966 8.531 1.009 1.00 10.18 C ATOM 67 O ARG A 8 -16.554 8.843 2.130 1.00 14.23 O ATOM 68 CB ARG A 8 -15.720 9.502 -0.960 1.00 8.95 C ATOM 69 CG ARG A 8 -14.694 9.291 -2.056 1.00 10.58 C ATOM 70 CD ARG A 8 -14.597 10.498 -2.972 1.00 13.64 C ATOM 71 NE ARG A 8 -15.855 10.724 -3.679 1.00 12.72 N ATOM 72 CZ ARG A 8 -16.058 11.694 -4.565 1.00 11.61 C ATOM 73 NH1 ARG A 8 -15.079 12.536 -4.871 1.00 16.77 N ATOM 74 NH2 ARG A 8 -17.238 11.821 -5.154 1.00 15.28 N ATOM 75 HE ARG A 8 -16.647 10.081 -3.475 1.00 0.00 H ATOM 76 HH12 ARG A 8 -15.242 13.293 -5.565 1.00 0.00 H ATOM 77 HH11 ARG A 8 -14.148 12.438 -4.417 1.00 0.00 H ATOM 78 HH22 ARG A 8 -17.394 12.581 -5.847 1.00 0.00 H ATOM 79 HH21 ARG A 8 -18.008 11.161 -4.924 1.00 0.00 H ATOM 80 H ARG A 8 -16.721 7.328 -1.960 1.00 0.00 H ATOM 81 N LYS A 9 -18.261 8.388 0.724 1.00 11.57 N ATOM 82 CA LYS A 9 -19.309 8.674 1.707 1.00 13.75 C ATOM 83 C LYS A 9 -19.341 7.638 2.835 1.00 13.13 C ATOM 84 O LYS A 9 -19.862 7.916 3.914 1.00 14.45 O ATOM 85 CB LYS A 9 -20.685 8.757 1.031 1.00 14.05 C ATOM 86 CG LYS A 9 -20.790 9.817 -0.059 1.00 15.67 C ATOM 87 CD LYS A 9 -22.074 9.659 -0.872 1.00 21.38 C ATOM 88 CE LYS A 9 -23.289 10.092 -0.102 1.00 33.07 C ATOM 89 NZ LYS A 9 -24.541 9.612 -0.768 1.00 39.59 N ATOM 90 HZ1 LYS A 9 -24.594 10.007 -1.729 1.00 0.00 H ATOM 91 HZ2 LYS A 9 -24.529 8.573 -0.819 1.00 0.00 H ATOM 92 HZ3 LYS A 9 -25.366 9.924 -0.217 1.00 0.00 H ATOM 93 H LYS A 9 -18.535 8.063 -0.225 1.00 0.00 H ATOM 94 N LYS A 10 -18.780 6.455 2.578 1.00 13.20 N ATOM 95 CA LYS A 10 -18.718 5.382 3.570 1.00 13.94 C ATOM 96 C LYS A 10 -17.371 5.353 4.291 1.00 15.09 C ATOM 97 O LYS A 10 -17.130 4.479 5.128 1.00 17.93 O ATOM 98 CB LYS A 10 -18.938 4.022 2.906 1.00 15.80 C ATOM 99 CG LYS A 10 -20.230 3.888 2.124 1.00 18.86 C ATOM 100 CD LYS A 10 -20.361 2.485 1.550 1.00 28.12 C ATOM 101 CE LYS A 10 -21.473 2.398 0.511 1.00 34.74 C ATOM 102 NZ LYS A 10 -22.824 2.669 1.080 1.00 39.92 N ATOM 103 HZ1 LYS A 10 -23.031 1.973 1.825 1.00 0.00 H ATOM 104 HZ2 LYS A 10 -22.843 3.627 1.484 1.00 0.00 H ATOM 105 HZ3 LYS A 10 -23.537 2.595 0.327 1.00 0.00 H ATOM 106 H LYS A 10 -18.371 6.290 1.636 1.00 0.00 H ATOM 107 N GLY A 11 -16.482 6.281 3.958 1.00 9.45 N ATOM 108 CA GLY A 11 -15.184 6.319 4.608 1.00 11.17 C ATOM 109 C GLY A 11 -14.243 5.206 4.168 1.00 10.20 C ATOM 110 O GLY A 11 -13.347 4.814 4.920 1.00 10.49 O ATOM 111 H GLY A 11 -16.716 6.984 3.228 1.00 0.00 H ATOM 112 N TYR A 12 -14.433 4.705 2.948 1.00 8.22 N ATOM 113 CA TYR A 12 -13.597 3.625 2.421 1.00 8.47 C ATOM 114 C TYR A 12 -12.384 4.122 1.638 1.00 7.69 C ATOM 115 O TYR A 12 -11.608 3.315 1.137 1.00 8.96 O ATOM 116 CB TYR A 12 -14.399 2.724 1.476 1.00 10.06 C ATOM 117 CG TYR A 12 -15.314 1.692 2.102 1.00 10.94 C ATOM 118 CD1 TYR A 12 -15.866 1.873 3.368 1.00 10.20 C ATOM 119 CD2 TYR A 12 -15.647 0.534 1.402 1.00 11.14 C ATOM 120 CE1 TYR A 12 -16.714 0.928 3.917 1.00 13.68 C ATOM 121 CE2 TYR A 12 -16.495 -0.413 1.944 1.00 12.98 C ATOM 122 CZ TYR A 12 -17.027 -0.210 3.201 1.00 14.80 C ATOM 123 OH TYR A 12 -17.873 -1.150 3.754 1.00 19.21 O ATOM 124 HH TYR A 12 -18.159 -0.847 4.652 1.00 0.00 H ATOM 125 H TYR A 12 -15.195 5.091 2.355 1.00 0.00 H ATOM 126 N VAL A 13 -12.230 5.437 1.508 1.00 6.83 N ATOM 127 CA VAL A 13 -11.228 5.985 0.589 1.00 7.56 C ATOM 128 C VAL A 13 -10.293 6.961 1.302 1.00 6.07 C ATOM 129 O VAL A 13 -10.741 7.904 1.968 1.00 9.22 O ATOM 130 CB VAL A 13 -11.896 6.684 -0.634 1.00 6.02 C ATOM 131 CG1 VAL A 13 -10.843 7.087 -1.661 1.00 6.39 C ATOM 132 CG2 VAL A 13 -12.935 5.775 -1.289 1.00 7.48 C ATOM 133 H VAL A 13 -12.826 6.083 2.064 1.00 0.00 H ATOM 134 N THR A 14 -8.992 6.725 1.157 1.00 6.68 N ATOM 135 CA THR A 14 -7.969 7.564 1.776 1.00 7.53 C ATOM 136 C THR A 14 -7.769 8.829 0.944 1.00 6.16 C ATOM 137 O THR A 14 -8.274 8.917 -0.179 1.00 8.17 O ATOM 138 CB THR A 14 -6.634 6.804 1.906 1.00 6.52 C ATOM 139 OG1 THR A 14 -6.118 6.519 0.599 1.00 6.65 O ATOM 140 CG2 THR A 14 -6.817 5.518 2.705 1.00 8.18 C ATOM 141 HG1 THR A 14 -6.769 5.962 0.103 1.00 0.00 H ATOM 142 H THR A 14 -8.692 5.913 0.581 1.00 0.00 H ATOM 143 N PRO A 15 -7.040 9.819 1.482 1.00 8.02 N ATOM 144 CA PRO A 15 -6.854 11.028 0.674 1.00 8.24 C ATOM 145 C PRO A 15 -6.112 10.777 -0.634 1.00 5.59 C ATOM 146 O PRO A 15 -5.371 9.789 -0.791 1.00 7.73 O ATOM 147 CB PRO A 15 -6.026 11.933 1.594 1.00 8.77 C ATOM 148 CG PRO A 15 -6.401 11.490 2.979 1.00 10.74 C ATOM 149 CD PRO A 15 -6.509 9.994 2.848 1.00 8.82 C ATOM 150 N VAL A 16 -6.323 11.680 -1.577 1.00 7.14 N ATOM 151 CA VAL A 16 -5.633 11.630 -2.851 1.00 6.81 C ATOM 152 C VAL A 16 -4.130 11.794 -2.647 1.00 6.81 C ATOM 153 O VAL A 16 -3.683 12.663 -1.883 1.00 10.28 O ATOM 154 CB VAL A 16 -6.162 12.728 -3.794 1.00 7.31 C ATOM 155 CG1 VAL A 16 -5.280 12.867 -5.030 1.00 9.54 C ATOM 156 CG2 VAL A 16 -7.602 12.438 -4.176 1.00 9.28 C ATOM 157 H VAL A 16 -7.003 12.447 -1.400 1.00 0.00 H ATOM 158 N LYS A 17 -3.363 10.955 -3.338 1.00 7.19 N ATOM 159 CA LYS A 17 -1.912 10.961 -3.279 1.00 8.13 C ATOM 160 C LYS A 17 -1.342 11.542 -4.569 1.00 7.48 C ATOM 161 O LYS A 17 -2.060 11.738 -5.559 1.00 6.42 O ATOM 162 CB LYS A 17 -1.388 9.529 -3.100 1.00 7.52 C ATOM 163 CG LYS A 17 -1.986 8.761 -1.907 1.00 9.62 C ATOM 164 CD LYS A 17 -1.865 9.545 -0.599 1.00 9.90 C ATOM 165 CE LYS A 17 -2.203 8.694 0.618 1.00 8.54 C ATOM 166 NZ LYS A 17 -3.539 8.047 0.487 1.00 7.96 N ATOM 167 HZ1 LYS A 17 -4.270 8.780 0.387 1.00 0.00 H ATOM 168 HZ2 LYS A 17 -3.545 7.434 -0.353 1.00 0.00 H ATOM 169 HZ3 LYS A 17 -3.731 7.477 1.335 1.00 0.00 H ATOM 170 H LYS A 17 -3.828 10.257 -3.954 1.00 0.00 H ATOM 171 N ASN A 18 -0.043 11.795 -4.562 1.00 8.31 N ATOM 172 CA ASN A 18 0.655 12.271 -5.750 1.00 8.14 C ATOM 173 C ASN A 18 1.841 11.367 -6.018 1.00 8.87 C ATOM 174 O ASN A 18 2.817 11.361 -5.257 1.00 10.39 O ATOM 175 CB ASN A 18 1.118 13.722 -5.556 1.00 10.68 C ATOM 176 CG ASN A 18 1.575 14.370 -6.851 1.00 13.04 C ATOM 177 OD1 ASN A 18 1.939 13.685 -7.812 1.00 10.68 O ATOM 178 ND2 ASN A 18 1.568 15.697 -6.881 1.00 16.44 N ATOM 179 HD22 ASN A 18 1.253 16.234 -6.048 1.00 0.00 H ATOM 180 HD21 ASN A 18 1.877 16.199 -7.737 1.00 0.00 H ATOM 181 H ASN A 18 0.495 11.650 -3.684 1.00 0.00 H ATOM 182 N GLN A 19 1.761 10.604 -7.102 1.00 5.94 N ATOM 183 CA GLN A 19 2.833 9.669 -7.456 1.00 8.84 C ATOM 184 C GLN A 19 4.132 10.352 -7.887 1.00 8.72 C ATOM 185 O GLN A 19 5.201 9.731 -7.905 1.00 9.07 O ATOM 186 CB GLN A 19 2.361 8.733 -8.566 1.00 7.45 C ATOM 187 CG GLN A 19 2.149 9.424 -9.905 1.00 7.35 C ATOM 188 CD GLN A 19 1.525 8.503 -10.925 1.00 7.79 C ATOM 189 OE1 GLN A 19 0.338 8.179 -10.850 1.00 8.41 O ATOM 190 NE2 GLN A 19 2.326 8.055 -11.875 1.00 9.75 N ATOM 191 HE22 GLN A 19 3.322 8.355 -11.900 1.00 0.00 H ATOM 192 HE21 GLN A 19 1.961 7.402 -12.598 1.00 0.00 H ATOM 193 H GLN A 19 0.921 10.671 -7.712 1.00 0.00 H ATOM 194 N GLY A 20 4.047 11.626 -8.248 1.00 8.29 N ATOM 195 CA GLY A 20 5.229 12.344 -8.682 1.00 9.75 C ATOM 196 C GLY A 20 5.701 11.835 -10.030 1.00 9.98 C ATOM 197 O GLY A 20 4.896 11.394 -10.850 1.00 11.31 O ATOM 198 H GLY A 20 3.128 12.112 -8.219 1.00 0.00 H ATOM 199 N GLN A 21 7.010 11.882 -10.250 1.00 14.57 N ATOM 200 CA GLN A 21 7.574 11.540 -11.553 1.00 15.32 C ATOM 201 C GLN A 21 7.762 10.044 -11.764 1.00 16.19 C ATOM 202 O GLN A 21 8.111 9.608 -12.858 1.00 28.60 O ATOM 203 CB GLN A 21 8.895 12.277 -11.767 1.00 19.03 C ATOM 204 CG GLN A 21 8.720 13.782 -11.846 1.00 29.69 C ATOM 205 CD GLN A 21 7.681 14.178 -12.880 1.00 38.51 C ATOM 206 OE1 GLN A 21 7.898 14.024 -14.083 1.00 46.71 O ATOM 207 NE2 GLN A 21 6.538 14.681 -12.416 1.00 36.47 N ATOM 208 HE22 GLN A 21 6.397 14.794 -11.392 1.00 0.00 H ATOM 209 HE21 GLN A 21 5.786 14.961 -13.078 1.00 0.00 H ATOM 210 H GLN A 21 7.646 12.168 -9.479 1.00 0.00 H ATOM 211 N CYS A 22 7.520 9.261 -10.723 1.00 10.50 N ATOM 212 CA CYS A 22 7.643 7.813 -10.798 1.00 7.96 C ATOM 213 C CYS A 22 6.399 7.213 -11.471 1.00 7.48 C ATOM 214 O CYS A 22 5.268 7.615 -11.161 1.00 9.38 O ATOM 215 CB CYS A 22 7.794 7.271 -9.375 1.00 10.15 C ATOM 216 SG CYS A 22 7.861 5.478 -9.187 1.00 9.97 S ATOM 217 H CYS A 22 7.233 9.695 -9.823 1.00 0.00 H ATOM 218 N GLY A 23 6.592 6.251 -12.377 1.00 8.20 N ATOM 219 CA GLY A 23 5.478 5.592 -13.050 1.00 7.28 C ATOM 220 C GLY A 23 4.824 4.522 -12.191 1.00 7.44 C ATOM 221 O GLY A 23 4.784 3.342 -12.560 1.00 8.45 O ATOM 222 H GLY A 23 7.564 5.963 -12.609 1.00 0.00 H ATOM 223 N SER A 24 4.291 4.942 -11.047 1.00 7.03 N ATOM 224 CA SER A 24 3.765 4.029 -10.035 1.00 6.33 C ATOM 225 C SER A 24 2.252 4.082 -9.903 1.00 5.27 C ATOM 226 O SER A 24 1.702 3.692 -8.870 1.00 4.83 O ATOM 227 CB SER A 24 4.388 4.367 -8.691 1.00 6.61 C ATOM 228 OG SER A 24 4.241 5.758 -8.446 1.00 8.21 O ATOM 229 HG SER A 24 4.646 5.982 -7.571 1.00 0.00 H ATOM 230 H SER A 24 4.247 5.965 -10.865 1.00 0.00 H ATOM 231 N CYS A 25 1.582 4.545 -10.952 1.00 4.39 N ATOM 232 CA CYS A 25 0.125 4.626 -10.938 1.00 4.41 C ATOM 233 C CYS A 25 -0.488 3.304 -10.509 1.00 5.54 C ATOM 234 O CYS A 25 -1.424 3.266 -9.719 1.00 5.58 O ATOM 235 CB CYS A 25 -0.408 5.035 -12.312 1.00 5.79 C ATOM 236 SG CYS A 25 0.074 3.931 -13.667 1.00 5.45 S ATOM 237 H CYS A 25 2.104 4.855 -11.797 1.00 0.00 H ATOM 238 N TRP A 26 0.071 2.216 -11.013 1.00 5.02 N ATOM 239 CA TRP A 26 -0.426 0.875 -10.723 1.00 5.10 C ATOM 240 C TRP A 26 -0.354 0.557 -9.225 1.00 4.37 C ATOM 241 O TRP A 26 -1.208 -0.148 -8.688 1.00 5.10 O ATOM 242 CB TRP A 26 0.377 -0.136 -11.530 1.00 6.18 C ATOM 243 CG TRP A 26 1.856 -0.090 -11.236 1.00 6.48 C ATOM 244 CD1 TRP A 26 2.808 0.657 -11.881 1.00 6.39 C ATOM 245 CD2 TRP A 26 2.550 -0.832 -10.227 1.00 5.92 C ATOM 246 NE1 TRP A 26 4.050 0.430 -11.327 1.00 6.93 N ATOM 247 CE2 TRP A 26 3.918 -0.483 -10.313 1.00 6.85 C ATOM 248 CE3 TRP A 26 2.147 -1.750 -9.251 1.00 7.94 C ATOM 249 CZ2 TRP A 26 4.885 -1.035 -9.472 1.00 6.93 C ATOM 250 CZ3 TRP A 26 3.109 -2.285 -8.406 1.00 7.09 C ATOM 251 CH2 TRP A 26 4.463 -1.934 -8.528 1.00 7.97 C ATOM 252 HE1 TRP A 26 4.939 0.877 -11.628 1.00 0.00 H ATOM 253 H TRP A 26 0.895 2.320 -11.639 1.00 0.00 H ATOM 254 N ALA A 27 0.677 1.070 -8.555 1.00 4.00 N ATOM 255 CA ALA A 27 0.859 0.845 -7.125 1.00 3.80 C ATOM 256 C ALA A 27 -0.164 1.643 -6.332 1.00 3.69 C ATOM 257 O ALA A 27 -0.737 1.137 -5.364 1.00 5.64 O ATOM 258 CB ALA A 27 2.285 1.225 -6.705 1.00 8.00 C ATOM 259 H ALA A 27 1.373 1.648 -9.067 1.00 0.00 H ATOM 260 N PHE A 28 -0.422 2.878 -6.754 1.00 4.12 N ATOM 261 CA PHE A 28 -1.470 3.672 -6.103 1.00 4.03 C ATOM 262 C PHE A 28 -2.864 3.098 -6.302 1.00 4.32 C ATOM 263 O PHE A 28 -3.647 3.023 -5.354 1.00 5.62 O ATOM 264 CB PHE A 28 -1.371 5.152 -6.501 1.00 5.83 C ATOM 265 CG PHE A 28 -0.200 5.843 -5.865 1.00 5.67 C ATOM 266 CD1 PHE A 28 -0.306 6.377 -4.588 1.00 5.71 C ATOM 267 CD2 PHE A 28 1.028 5.916 -6.518 1.00 7.54 C ATOM 268 CE1 PHE A 28 0.784 6.992 -3.971 1.00 7.46 C ATOM 269 CE2 PHE A 28 2.119 6.526 -5.911 1.00 8.64 C ATOM 270 CZ PHE A 28 1.995 7.066 -4.640 1.00 9.44 C ATOM 271 H PHE A 28 0.119 3.281 -7.545 1.00 0.00 H ATOM 272 N SER A 29 -3.143 2.633 -7.511 1.00 4.49 N ATOM 273 CA SER A 29 -4.418 1.997 -7.795 1.00 4.49 C ATOM 274 C SER A 29 -4.584 0.746 -6.929 1.00 3.27 C ATOM 275 O SER A 29 -5.643 0.510 -6.340 1.00 5.42 O ATOM 276 CB SER A 29 -4.474 1.634 -9.277 1.00 5.78 C ATOM 277 OG SER A 29 -5.668 0.942 -9.585 1.00 6.00 O ATOM 278 HG SER A 29 -6.446 1.515 -9.369 1.00 0.00 H ATOM 279 H SER A 29 -2.437 2.725 -8.269 1.00 0.00 H ATOM 280 N SER A 30 -3.533 -0.059 -6.865 1.00 4.83 N ATOM 281 CA SER A 30 -3.554 -1.278 -6.075 1.00 5.68 C ATOM 282 C SER A 30 -3.774 -1.018 -4.591 1.00 4.33 C ATOM 283 O SER A 30 -4.612 -1.683 -3.960 1.00 6.17 O ATOM 284 CB SER A 30 -2.249 -2.054 -6.258 1.00 7.49 C ATOM 285 OG SER A 30 -2.093 -2.461 -7.602 1.00 8.17 O ATOM 286 HG SER A 30 -2.076 -1.663 -8.187 1.00 0.00 H ATOM 287 H SER A 30 -2.672 0.188 -7.393 1.00 0.00 H ATOM 288 N VAL A 31 -3.015 -0.086 -4.014 1.00 5.18 N ATOM 289 CA VAL A 31 -3.220 0.205 -2.597 1.00 5.66 C ATOM 290 C VAL A 31 -4.605 0.782 -2.338 1.00 4.79 C ATOM 291 O VAL A 31 -5.202 0.499 -1.308 1.00 5.54 O ATOM 292 CB VAL A 31 -2.112 1.079 -1.941 1.00 10.25 C ATOM 293 CG1 VAL A 31 -0.753 0.386 -2.024 1.00 8.52 C ATOM 294 CG2 VAL A 31 -2.067 2.475 -2.530 1.00 14.91 C ATOM 295 H VAL A 31 -2.292 0.423 -4.561 1.00 0.00 H ATOM 296 N GLY A 32 -5.147 1.549 -3.279 1.00 3.70 N ATOM 297 CA GLY A 32 -6.481 2.102 -3.096 1.00 4.34 C ATOM 298 C GLY A 32 -7.531 1.007 -2.964 1.00 4.64 C ATOM 299 O GLY A 32 -8.411 1.049 -2.093 1.00 5.72 O ATOM 300 H GLY A 32 -4.616 1.755 -4.149 1.00 0.00 H ATOM 301 N ALA A 33 -7.424 0.009 -3.829 1.00 4.17 N ATOM 302 CA ALA A 33 -8.338 -1.130 -3.791 1.00 5.02 C ATOM 303 C ALA A 33 -8.146 -1.919 -2.495 1.00 6.57 C ATOM 304 O ALA A 33 -9.123 -2.312 -1.843 1.00 6.98 O ATOM 305 CB ALA A 33 -8.141 -2.012 -5.018 1.00 5.72 C ATOM 306 H ALA A 33 -6.674 0.037 -4.549 1.00 0.00 H ATOM 307 N LEU A 34 -6.894 -2.134 -2.100 1.00 5.23 N ATOM 308 CA LEU A 34 -6.616 -2.842 -0.849 1.00 5.12 C ATOM 309 C LEU A 34 -7.127 -2.053 0.368 1.00 4.69 C ATOM 310 O LEU A 34 -7.710 -2.631 1.290 1.00 7.29 O ATOM 311 CB LEU A 34 -5.119 -3.150 -0.716 1.00 6.03 C ATOM 312 CG LEU A 34 -4.589 -4.221 -1.666 1.00 7.26 C ATOM 313 CD1 LEU A 34 -3.086 -4.067 -1.820 1.00 8.69 C ATOM 314 CD2 LEU A 34 -4.956 -5.617 -1.152 1.00 9.82 C ATOM 315 H LEU A 34 -6.104 -1.796 -2.686 1.00 0.00 H ATOM 316 N GLU A 35 -6.946 -0.735 0.355 1.00 5.29 N ATOM 317 CA GLU A 35 -7.455 0.132 1.417 1.00 6.72 C ATOM 318 C GLU A 35 -8.971 0.019 1.586 1.00 6.58 C ATOM 319 O GLU A 35 -9.480 -0.012 2.707 1.00 6.78 O ATOM 320 CB GLU A 35 -7.052 1.595 1.160 1.00 6.18 C ATOM 321 CG GLU A 35 -5.575 1.884 1.400 1.00 7.11 C ATOM 322 CD GLU A 35 -5.068 3.159 0.716 1.00 6.94 C ATOM 323 OE1 GLU A 35 -5.832 3.868 0.009 1.00 7.09 O ATOM 324 OE2 GLU A 35 -3.871 3.457 0.873 1.00 9.43 O ATOM 325 H GLU A 35 -6.425 -0.307 -0.437 1.00 0.00 H ATOM 326 N GLY A 36 -9.697 -0.045 0.478 1.00 6.15 N ATOM 327 CA GLY A 36 -11.144 -0.168 0.530 1.00 8.60 C ATOM 328 C GLY A 36 -11.551 -1.479 1.181 1.00 6.72 C ATOM 329 O GLY A 36 -12.448 -1.518 2.034 1.00 7.78 O ATOM 330 H GLY A 36 -9.221 -0.006 -0.446 1.00 0.00 H ATOM 331 N GLN A 37 -10.880 -2.561 0.797 1.00 6.00 N ATOM 332 CA GLN A 37 -11.200 -3.867 1.361 1.00 6.88 C ATOM 333 C GLN A 37 -10.813 -3.962 2.827 1.00 5.61 C ATOM 334 O GLN A 37 -11.515 -4.609 3.601 1.00 7.80 O ATOM 335 CB GLN A 37 -10.553 -4.997 0.555 1.00 7.11 C ATOM 336 CG GLN A 37 -11.155 -5.178 -0.826 1.00 8.37 C ATOM 337 CD GLN A 37 -12.660 -5.235 -0.774 1.00 8.08 C ATOM 338 OE1 GLN A 37 -13.238 -6.220 -0.315 1.00 10.14 O ATOM 339 NE2 GLN A 37 -13.305 -4.158 -1.199 1.00 7.56 N ATOM 340 HE22 GLN A 37 -12.773 -3.349 -1.579 1.00 0.00 H ATOM 341 HE21 GLN A 37 -14.343 -4.121 -1.152 1.00 0.00 H ATOM 342 H GLN A 37 -10.122 -2.475 0.090 1.00 0.00 H ATOM 343 N LEU A 38 -9.685 -3.349 3.198 1.00 6.84 N ATOM 344 CA LEU A 38 -9.244 -3.352 4.590 1.00 8.18 C ATOM 345 C LEU A 38 -10.272 -2.650 5.476 1.00 8.32 C ATOM 346 O LEU A 38 -10.630 -3.148 6.546 1.00 7.75 O ATOM 347 CB LEU A 38 -7.875 -2.681 4.733 1.00 7.55 C ATOM 348 CG LEU A 38 -7.309 -2.656 6.154 1.00 8.18 C ATOM 349 CD1 LEU A 38 -7.025 -4.064 6.659 1.00 9.43 C ATOM 350 CD2 LEU A 38 -6.059 -1.815 6.179 1.00 10.90 C ATOM 351 H LEU A 38 -9.110 -2.861 2.482 1.00 0.00 H ATOM 352 N LYS A 39 -10.759 -1.501 5.015 1.00 6.37 N ATOM 353 CA LYS A 39 -11.767 -0.748 5.747 1.00 7.14 C ATOM 354 C LYS A 39 -13.054 -1.549 5.884 1.00 7.53 C ATOM 355 O LYS A 39 -13.639 -1.627 6.968 1.00 8.23 O ATOM 356 CB LYS A 39 -12.027 0.603 5.069 1.00 10.18 C ATOM 357 CG LYS A 39 -13.227 1.359 5.611 1.00 12.13 C ATOM 358 CD LYS A 39 -13.056 1.745 7.074 1.00 10.98 C ATOM 359 CE LYS A 39 -14.164 2.688 7.514 1.00 15.00 C ATOM 360 NZ LYS A 39 -14.091 3.018 8.963 1.00 16.84 N ATOM 361 HZ1 LYS A 39 -14.174 2.144 9.521 1.00 0.00 H ATOM 362 HZ2 LYS A 39 -13.180 3.476 9.167 1.00 0.00 H ATOM 363 HZ3 LYS A 39 -14.868 3.663 9.210 1.00 0.00 H ATOM 364 H LYS A 39 -10.410 -1.131 4.108 1.00 0.00 H ATOM 365 N LYS A 40 -13.480 -2.171 4.790 1.00 8.09 N ATOM 366 CA LYS A 40 -14.706 -2.963 4.791 1.00 10.04 C ATOM 367 C LYS A 40 -14.629 -4.130 5.783 1.00 9.77 C ATOM 368 O LYS A 40 -15.575 -4.385 6.537 1.00 12.16 O ATOM 369 CB LYS A 40 -14.994 -3.478 3.380 1.00 10.03 C ATOM 370 CG LYS A 40 -16.308 -4.216 3.253 1.00 12.42 C ATOM 371 CD LYS A 40 -16.578 -4.564 1.796 1.00 13.25 C ATOM 372 CE LYS A 40 -17.845 -5.359 1.644 1.00 14.92 C ATOM 373 NZ LYS A 40 -18.122 -5.610 0.204 1.00 13.63 N ATOM 374 HZ1 LYS A 40 -18.227 -4.701 -0.291 1.00 0.00 H ATOM 375 HZ2 LYS A 40 -17.332 -6.143 -0.212 1.00 0.00 H ATOM 376 HZ3 LYS A 40 -19.000 -6.160 0.112 1.00 0.00 H ATOM 377 H LYS A 40 -12.927 -2.092 3.913 1.00 0.00 H ATOM 378 N LYS A 41 -13.488 -4.814 5.802 1.00 6.89 N ATOM 379 CA LYS A 41 -13.315 -6.008 6.632 1.00 9.44 C ATOM 380 C LYS A 41 -13.045 -5.694 8.103 1.00 8.41 C ATOM 381 O LYS A 41 -13.608 -6.343 8.999 1.00 10.18 O ATOM 382 CB LYS A 41 -12.177 -6.884 6.080 1.00 10.22 C ATOM 383 CG LYS A 41 -11.939 -8.205 6.840 1.00 13.52 C ATOM 384 CD LYS A 41 -10.673 -8.907 6.341 1.00 12.40 C ATOM 385 CE LYS A 41 -10.509 -10.288 6.954 1.00 15.80 C ATOM 386 NZ LYS A 41 -11.297 -11.322 6.232 1.00 29.76 N ATOM 387 HZ1 LYS A 41 -12.306 -11.072 6.264 1.00 0.00 H ATOM 388 HZ2 LYS A 41 -10.981 -11.368 5.242 1.00 0.00 H ATOM 389 HZ3 LYS A 41 -11.153 -12.246 6.687 1.00 0.00 H ATOM 390 H LYS A 41 -12.696 -4.491 5.210 1.00 0.00 H ATOM 391 N THR A 42 -12.186 -4.707 8.355 1.00 8.71 N ATOM 392 CA THR A 42 -11.657 -4.506 9.699 1.00 10.19 C ATOM 393 C THR A 42 -12.108 -3.209 10.354 1.00 8.62 C ATOM 394 O THR A 42 -11.871 -3.012 11.547 1.00 9.63 O ATOM 395 CB THR A 42 -10.123 -4.514 9.704 1.00 9.50 C ATOM 396 OG1 THR A 42 -9.641 -3.303 9.104 1.00 8.25 O ATOM 397 CG2 THR A 42 -9.591 -5.719 8.940 1.00 9.28 C ATOM 398 HG1 THR A 42 -9.970 -3.244 8.172 1.00 0.00 H ATOM 399 H THR A 42 -11.890 -4.073 7.585 1.00 0.00 H ATOM 400 N GLY A 43 -12.718 -2.316 9.580 1.00 7.00 N ATOM 401 CA GLY A 43 -13.125 -1.022 10.099 1.00 9.54 C ATOM 402 C GLY A 43 -12.029 0.027 10.098 1.00 10.32 C ATOM 403 O GLY A 43 -12.275 1.187 10.456 1.00 12.32 O ATOM 404 H GLY A 43 -12.907 -2.549 8.584 1.00 0.00 H ATOM 405 N LYS A 44 -10.830 -0.356 9.670 1.00 10.26 N ATOM 406 CA LYS A 44 -9.701 0.570 9.685 1.00 10.30 C ATOM 407 C LYS A 44 -9.440 1.205 8.324 1.00 9.52 C ATOM 408 O LYS A 44 -9.265 0.500 7.329 1.00 10.81 O ATOM 409 CB LYS A 44 -8.441 -0.137 10.185 1.00 15.49 C ATOM 410 CG LYS A 44 -7.249 0.794 10.396 1.00 23.32 C ATOM 411 CD LYS A 44 -6.031 0.054 10.940 1.00 27.63 C ATOM 412 CE LYS A 44 -6.065 -0.094 12.453 1.00 28.32 C ATOM 413 NZ LYS A 44 -5.824 1.197 13.160 1.00 39.65 N ATOM 414 HZ1 LYS A 44 -4.889 1.566 12.895 1.00 0.00 H ATOM 415 HZ2 LYS A 44 -6.558 1.882 12.889 1.00 0.00 H ATOM 416 HZ3 LYS A 44 -5.858 1.040 14.187 1.00 0.00 H ATOM 417 H LYS A 44 -10.695 -1.326 9.321 1.00 0.00 H ATOM 418 N LEU A 45 -9.432 2.537 8.283 1.00 9.18 N ATOM 419 CA LEU A 45 -8.990 3.263 7.094 1.00 8.85 C ATOM 420 C LEU A 45 -7.572 3.766 7.323 1.00 7.56 C ATOM 421 O LEU A 45 -7.334 4.580 8.211 1.00 9.26 O ATOM 422 CB LEU A 45 -9.909 4.449 6.784 1.00 10.26 C ATOM 423 CG LEU A 45 -9.587 5.173 5.466 1.00 9.32 C ATOM 424 CD1 LEU A 45 -9.895 4.268 4.275 1.00 9.51 C ATOM 425 CD2 LEU A 45 -10.344 6.488 5.354 1.00 12.27 C ATOM 426 H LEU A 45 -9.748 3.073 9.117 1.00 0.00 H ATOM 427 N LEU A 46 -6.662 3.285 6.508 1.00 8.65 N ATOM 428 CA LEU A 46 -5.269 3.735 6.602 1.00 8.81 C ATOM 429 C LEU A 46 -4.555 3.695 5.260 1.00 7.19 C ATOM 430 O LEU A 46 -4.930 2.963 4.442 1.00 9.32 O ATOM 431 CB LEU A 46 -4.530 2.915 7.598 1.00 25.51 C ATOM 432 CG LEU A 46 -4.314 1.436 7.473 1.00 32.02 C ATOM 433 CD1 LEU A 46 -3.192 1.107 6.542 1.00 32.31 C ATOM 434 CD2 LEU A 46 -3.811 0.977 8.865 1.00 30.51 C ATOM 435 H LEU A 46 -6.930 2.581 5.791 1.00 0.00 H ATOM 436 N ASN A 47 -3.547 4.555 5.134 1.00 8.29 N ATOM 437 CA ASN A 47 -2.731 4.565 3.936 1.00 8.16 C ATOM 438 C ASN A 47 -1.865 3.318 3.882 1.00 6.60 C ATOM 439 O ASN A 47 -1.060 3.083 4.791 1.00 9.31 O ATOM 440 CB ASN A 47 -1.835 5.809 3.915 1.00 10.73 C ATOM 441 CG ASN A 47 -2.622 7.091 3.811 1.00 8.84 C ATOM 442 OD1 ASN A 47 -3.670 7.130 3.173 1.00 8.54 O ATOM 443 ND2 ASN A 47 -2.120 8.156 4.436 1.00 11.91 N ATOM 444 HD22 ASN A 47 -1.228 8.076 4.965 1.00 0.00 H ATOM 445 HD21 ASN A 47 -2.620 9.067 4.395 1.00 0.00 H ATOM 446 H ASN A 47 -3.343 5.226 5.902 1.00 0.00 H ATOM 447 N LEU A 48 -2.039 2.513 2.838 1.00 7.05 N ATOM 448 CA LEU A 48 -1.128 1.395 2.602 1.00 8.14 C ATOM 449 C LEU A 48 0.046 1.870 1.734 1.00 8.44 C ATOM 450 O LEU A 48 -0.016 2.943 1.142 1.00 9.50 O ATOM 451 CB LEU A 48 -1.867 0.210 1.969 1.00 6.84 C ATOM 452 CG LEU A 48 -2.931 -0.432 2.864 1.00 8.62 C ATOM 453 CD1 LEU A 48 -3.766 -1.459 2.085 1.00 9.98 C ATOM 454 CD2 LEU A 48 -2.273 -1.098 4.067 1.00 10.81 C ATOM 455 H LEU A 48 -2.830 2.680 2.184 1.00 0.00 H ATOM 456 N ALA A 49 1.108 1.073 1.668 1.00 5.80 N ATOM 457 CA ALA A 49 2.391 1.518 1.108 1.00 5.71 C ATOM 458 C ALA A 49 2.594 1.210 -0.381 1.00 7.54 C ATOM 459 O ALA A 49 2.983 0.100 -0.735 1.00 7.45 O ATOM 460 CB ALA A 49 3.555 0.929 1.922 1.00 8.08 C ATOM 461 H ALA A 49 1.028 0.100 2.026 1.00 0.00 H ATOM 462 N PRO A 50 2.363 2.197 -1.263 1.00 5.24 N ATOM 463 CA PRO A 50 2.695 1.927 -2.665 1.00 6.17 C ATOM 464 C PRO A 50 4.184 1.631 -2.875 1.00 5.64 C ATOM 465 O PRO A 50 4.511 0.890 -3.798 1.00 6.56 O ATOM 466 CB PRO A 50 2.296 3.227 -3.377 1.00 6.70 C ATOM 467 CG PRO A 50 2.379 4.275 -2.307 1.00 6.58 C ATOM 468 CD PRO A 50 1.882 3.578 -1.074 1.00 6.80 C ATOM 469 N GLN A 51 5.058 2.190 -2.037 1.00 7.11 N ATOM 470 CA GLN A 51 6.491 1.941 -2.145 1.00 7.00 C ATOM 471 C GLN A 51 6.837 0.460 -1.986 1.00 7.18 C ATOM 472 O GLN A 51 7.738 -0.056 -2.649 1.00 8.65 O ATOM 473 CB GLN A 51 7.239 2.757 -1.098 1.00 8.81 C ATOM 474 CG GLN A 51 8.727 2.817 -1.357 1.00 10.81 C ATOM 475 CD GLN A 51 9.068 3.662 -2.567 1.00 11.17 C ATOM 476 OE1 GLN A 51 8.631 4.806 -2.675 1.00 11.56 O ATOM 477 NE2 GLN A 51 9.844 3.103 -3.490 1.00 11.80 N ATOM 478 HE22 GLN A 51 10.192 2.132 -3.358 1.00 0.00 H ATOM 479 HE21 GLN A 51 10.103 3.637 -4.344 1.00 0.00 H ATOM 480 H GLN A 51 4.709 2.820 -1.287 1.00 0.00 H ATOM 481 N ASN A 52 6.120 -0.210 -1.093 1.00 7.00 N ATOM 482 CA ASN A 52 6.263 -1.644 -0.860 1.00 8.74 C ATOM 483 C ASN A 52 6.047 -2.380 -2.180 1.00 7.89 C ATOM 484 O ASN A 52 6.779 -3.309 -2.511 1.00 9.07 O ATOM 485 CB ASN A 52 5.222 -2.051 0.191 1.00 10.12 C ATOM 486 CG ASN A 52 5.329 -3.510 0.664 1.00 10.17 C ATOM 487 OD1 ASN A 52 5.929 -4.324 -0.041 1.00 10.39 O ATOM 488 ND2 ASN A 52 4.782 -3.841 1.838 1.00 8.86 N ATOM 489 HD22 ASN A 52 4.284 -3.122 2.401 1.00 0.00 H ATOM 490 HD21 ASN A 52 4.854 -4.818 2.188 1.00 0.00 H ATOM 491 H ASN A 52 5.420 0.314 -0.530 1.00 0.00 H ATOM 492 N LEU A 53 5.053 -1.949 -2.948 1.00 7.32 N ATOM 493 CA LEU A 53 4.755 -2.598 -4.221 1.00 5.79 C ATOM 494 C LEU A 53 5.797 -2.252 -5.286 1.00 6.66 C ATOM 495 O LEU A 53 6.302 -3.137 -5.999 1.00 7.85 O ATOM 496 CB LEU A 53 3.350 -2.208 -4.688 1.00 5.96 C ATOM 497 CG LEU A 53 2.225 -2.588 -3.717 1.00 6.69 C ATOM 498 CD1 LEU A 53 0.872 -2.139 -4.243 1.00 7.88 C ATOM 499 CD2 LEU A 53 2.244 -4.100 -3.451 1.00 8.08 C ATOM 500 H LEU A 53 4.479 -1.139 -2.638 1.00 0.00 H ATOM 501 N VAL A 54 6.139 -0.968 -5.382 1.00 6.52 N ATOM 502 CA VAL A 54 7.144 -0.517 -6.346 1.00 6.60 C ATOM 503 C VAL A 54 8.453 -1.300 -6.199 1.00 8.36 C ATOM 504 O VAL A 54 9.036 -1.743 -7.188 1.00 9.45 O ATOM 505 CB VAL A 54 7.403 0.997 -6.186 1.00 6.10 C ATOM 506 CG1 VAL A 54 8.654 1.438 -6.950 1.00 8.64 C ATOM 507 CG2 VAL A 54 6.170 1.804 -6.606 1.00 7.00 C ATOM 508 H VAL A 54 5.682 -0.272 -4.759 1.00 0.00 H ATOM 509 N ASP A 55 8.881 -1.505 -4.961 1.00 8.55 N ATOM 510 CA ASP A 55 10.191 -2.103 -4.694 1.00 8.19 C ATOM 511 C ASP A 55 10.189 -3.628 -4.741 1.00 11.45 C ATOM 512 O ASP A 55 11.232 -4.247 -5.001 1.00 13.00 O ATOM 513 CB ASP A 55 10.689 -1.683 -3.310 1.00 10.53 C ATOM 514 CG ASP A 55 10.872 -0.193 -3.172 1.00 9.89 C ATOM 515 OD1 ASP A 55 10.886 0.521 -4.195 1.00 10.20 O ATOM 516 OD2 ASP A 55 11.020 0.268 -2.022 1.00 12.51 O ATOM 517 H ASP A 55 8.273 -1.235 -4.162 1.00 0.00 H ATOM 518 N CYS A 56 9.040 -4.240 -4.461 1.00 8.64 N ATOM 519 CA CYS A 56 9.016 -5.673 -4.165 1.00 9.19 C ATOM 520 C CYS A 56 8.281 -6.559 -5.172 1.00 9.84 C ATOM 521 O CYS A 56 8.469 -7.780 -5.173 1.00 14.45 O ATOM 522 CB CYS A 56 8.458 -5.914 -2.762 1.00 9.91 C ATOM 523 SG CYS A 56 9.337 -5.008 -1.468 1.00 11.08 S ATOM 524 H CYS A 56 8.154 -3.696 -4.453 1.00 0.00 H ATOM 525 N VAL A 57 7.442 -5.963 -6.014 1.00 9.54 N ATOM 526 CA VAL A 57 6.740 -6.738 -7.039 1.00 8.27 C ATOM 527 C VAL A 57 7.667 -6.960 -8.234 1.00 8.31 C ATOM 528 O VAL A 57 7.799 -6.091 -9.107 1.00 9.91 O ATOM 529 CB VAL A 57 5.415 -6.071 -7.470 1.00 7.36 C ATOM 530 CG1 VAL A 57 4.693 -6.921 -8.523 1.00 8.89 C ATOM 531 CG2 VAL A 57 4.517 -5.866 -6.254 1.00 8.11 C ATOM 532 H VAL A 57 7.283 -4.938 -5.944 1.00 0.00 H ATOM 533 N SER A 58 8.316 -8.121 -8.268 1.00 9.86 N ATOM 534 CA SER A 58 9.349 -8.380 -9.268 1.00 11.46 C ATOM 535 C SER A 58 8.799 -8.497 -10.690 1.00 8.97 C ATOM 536 O SER A 58 9.528 -8.272 -11.656 1.00 11.62 O ATOM 537 CB SER A 58 10.147 -9.638 -8.912 1.00 13.93 C ATOM 538 OG SER A 58 9.392 -10.809 -9.189 1.00 18.51 O ATOM 539 HG SER A 58 9.926 -11.608 -8.952 1.00 0.00 H ATOM 540 H SER A 58 8.084 -8.857 -7.571 1.00 0.00 H ATOM 541 N GLU A 59 7.517 -8.829 -10.822 1.00 9.14 N ATOM 542 CA GLU A 59 6.905 -8.954 -12.144 1.00 8.65 C ATOM 543 C GLU A 59 6.349 -7.628 -12.655 1.00 8.56 C ATOM 544 O GLU A 59 5.741 -7.569 -13.732 1.00 9.81 O ATOM 545 CB GLU A 59 5.824 -10.036 -12.153 1.00 9.64 C ATOM 546 CG GLU A 59 6.365 -11.442 -11.985 1.00 9.11 C ATOM 547 CD GLU A 59 7.436 -11.795 -13.006 1.00 10.57 C ATOM 548 OE1 GLU A 59 7.285 -11.433 -14.201 1.00 9.89 O ATOM 549 OE2 GLU A 59 8.436 -12.442 -12.615 1.00 10.18 O ATOM 550 H GLU A 59 6.942 -9.002 -9.973 1.00 0.00 H ATOM 551 N ASN A 60 6.530 -6.574 -11.867 1.00 8.40 N ATOM 552 CA ASN A 60 6.299 -5.222 -12.366 1.00 8.18 C ATOM 553 C ASN A 60 7.633 -4.518 -12.595 1.00 8.99 C ATOM 554 O ASN A 60 8.691 -5.112 -12.373 1.00 10.35 O ATOM 555 CB ASN A 60 5.374 -4.431 -11.432 1.00 7.84 C ATOM 556 CG ASN A 60 3.924 -4.830 -11.592 1.00 6.99 C ATOM 557 OD1 ASN A 60 3.545 -5.432 -12.596 1.00 7.64 O ATOM 558 ND2 ASN A 60 3.103 -4.485 -10.614 1.00 7.97 N ATOM 559 HD22 ASN A 60 3.468 -3.977 -9.784 1.00 0.00 H ATOM 560 HD21 ASN A 60 2.092 -4.722 -10.676 1.00 0.00 H ATOM 561 H ASN A 60 6.840 -6.714 -10.884 1.00 0.00 H ATOM 562 N ASP A 61 7.588 -3.263 -13.039 1.00 7.42 N ATOM 563 CA ASP A 61 8.799 -2.570 -13.462 1.00 7.58 C ATOM 564 C ASP A 61 9.076 -1.321 -12.631 1.00 8.17 C ATOM 565 O ASP A 61 9.676 -0.367 -13.124 1.00 10.35 O ATOM 566 CB ASP A 61 8.694 -2.203 -14.946 1.00 8.87 C ATOM 567 CG ASP A 61 10.034 -1.843 -15.568 1.00 12.63 C ATOM 568 OD1 ASP A 61 11.060 -2.435 -15.178 1.00 14.56 O ATOM 569 OD2 ASP A 61 10.053 -0.977 -16.471 1.00 16.10 O ATOM 570 H ASP A 61 6.674 -2.769 -13.085 1.00 0.00 H ATOM 571 N GLY A 62 8.662 -1.330 -11.366 1.00 9.95 N ATOM 572 CA GLY A 62 8.937 -0.217 -10.471 1.00 9.45 C ATOM 573 C GLY A 62 8.355 1.071 -11.013 1.00 8.68 C ATOM 574 O GLY A 62 7.159 1.146 -11.293 1.00 9.00 O ATOM 575 H GLY A 62 8.131 -2.150 -11.010 1.00 0.00 H ATOM 576 N CYS A 63 9.203 2.079 -11.194 1.00 8.79 N ATOM 577 CA CYS A 63 8.771 3.347 -11.745 1.00 9.26 C ATOM 578 C CYS A 63 8.595 3.295 -13.259 1.00 8.33 C ATOM 579 O CYS A 63 8.179 4.284 -13.868 1.00 10.57 O ATOM 580 CB CYS A 63 9.760 4.448 -11.358 1.00 8.28 C ATOM 581 SG CYS A 63 9.755 4.871 -9.583 1.00 10.33 S ATOM 582 H CYS A 63 10.202 1.954 -10.933 1.00 0.00 H ATOM 583 N GLY A 64 8.876 2.138 -13.858 1.00 8.89 N ATOM 584 CA GLY A 64 8.652 1.941 -15.280 1.00 7.75 C ATOM 585 C GLY A 64 7.234 1.493 -15.604 1.00 7.18 C ATOM 586 O GLY A 64 6.841 1.434 -16.767 1.00 13.22 O ATOM 587 H GLY A 64 9.265 1.356 -13.293 1.00 0.00 H ATOM 588 N GLY A 65 6.452 1.181 -14.576 1.00 6.87 N ATOM 589 CA GLY A 65 5.074 0.759 -14.772 1.00 7.38 C ATOM 590 C GLY A 65 4.813 -0.643 -14.275 1.00 5.77 C ATOM 591 O GLY A 65 5.721 -1.320 -13.795 1.00 8.66 O ATOM 592 H GLY A 65 6.834 1.240 -13.610 1.00 0.00 H ATOM 593 N GLY A 66 3.560 -1.078 -14.366 1.00 6.60 N ATOM 594 CA GLY A 66 3.180 -2.366 -13.817 1.00 7.57 C ATOM 595 C GLY A 66 1.693 -2.653 -13.898 1.00 6.28 C ATOM 596 O GLY A 66 0.900 -1.801 -14.331 1.00 6.42 O ATOM 597 H GLY A 66 2.844 -0.488 -14.836 1.00 0.00 H ATOM 598 N TYR A 67 1.327 -3.869 -13.502 1.00 6.18 N ATOM 599 CA TYR A 67 -0.066 -4.306 -13.433 1.00 7.13 C ATOM 600 C TYR A 67 -0.531 -4.444 -11.985 1.00 5.78 C ATOM 601 O TYR A 67 0.223 -4.907 -11.110 1.00 6.97 O ATOM 602 CB TYR A 67 -0.238 -5.656 -14.141 1.00 7.66 C ATOM 603 CG TYR A 67 -0.118 -5.592 -15.645 1.00 8.53 C ATOM 604 CD1 TYR A 67 -1.047 -4.892 -16.404 1.00 9.81 C ATOM 605 CD2 TYR A 67 0.906 -6.259 -16.311 1.00 12.82 C ATOM 606 CE1 TYR A 67 -0.947 -4.833 -17.780 1.00 12.36 C ATOM 607 CE2 TYR A 67 1.011 -6.207 -17.693 1.00 11.96 C ATOM 608 CZ TYR A 67 0.080 -5.492 -18.418 1.00 12.37 C ATOM 609 OH TYR A 67 0.156 -5.430 -19.789 1.00 15.55 O ATOM 610 HH TYR A 67 -0.589 -4.878 -20.135 1.00 0.00 H ATOM 611 H TYR A 67 2.070 -4.543 -13.228 1.00 0.00 H ATOM 612 N MET A 68 -1.776 -4.045 -11.741 1.00 6.17 N ATOM 613 CA MET A 68 -2.396 -4.185 -10.424 1.00 5.59 C ATOM 614 C MET A 68 -2.525 -5.649 -10.004 1.00 6.76 C ATOM 615 O MET A 68 -2.313 -5.983 -8.846 1.00 7.90 O ATOM 616 CB MET A 68 -3.767 -3.503 -10.388 1.00 7.13 C ATOM 617 CG MET A 68 -3.698 -1.980 -10.580 1.00 6.23 C ATOM 618 SD MET A 68 -3.396 -1.474 -12.278 1.00 6.50 S ATOM 619 CE MET A 68 -5.069 -1.352 -12.895 1.00 8.27 C ATOM 620 H MET A 68 -2.327 -3.619 -12.513 1.00 0.00 H ATOM 621 N THR A 69 -2.864 -6.526 -10.942 1.00 7.22 N ATOM 622 CA THR A 69 -3.008 -7.939 -10.595 1.00 7.10 C ATOM 623 C THR A 69 -1.692 -8.525 -10.076 1.00 7.36 C ATOM 624 O THR A 69 -1.704 -9.369 -9.171 1.00 7.71 O ATOM 625 CB THR A 69 -3.539 -8.788 -11.770 1.00 7.63 C ATOM 626 OG1 THR A 69 -2.679 -8.629 -12.903 1.00 10.71 O ATOM 627 CG2 THR A 69 -4.956 -8.378 -12.132 1.00 9.25 C ATOM 628 HG1 THR A 69 -1.765 -8.928 -12.667 1.00 0.00 H ATOM 629 H THR A 69 -3.026 -6.209 -11.919 1.00 0.00 H ATOM 630 N ASN A 70 -0.560 -8.083 -10.630 1.00 6.73 N ATOM 631 CA ASN A 70 0.736 -8.543 -10.126 1.00 9.08 C ATOM 632 C ASN A 70 0.952 -8.077 -8.694 1.00 8.00 C ATOM 633 O ASN A 70 1.549 -8.790 -7.883 1.00 8.71 O ATOM 634 CB ASN A 70 1.902 -8.050 -10.990 1.00 7.55 C ATOM 635 CG ASN A 70 2.039 -8.805 -12.300 1.00 8.26 C ATOM 636 OD1 ASN A 70 1.606 -9.954 -12.426 1.00 11.17 O ATOM 637 ND2 ASN A 70 2.671 -8.163 -13.281 1.00 9.14 N ATOM 638 HD22 ASN A 70 3.019 -7.195 -13.129 1.00 0.00 H ATOM 639 HD21 ASN A 70 2.817 -8.630 -14.199 1.00 0.00 H ATOM 640 H ASN A 70 -0.599 -7.410 -11.422 1.00 0.00 H ATOM 641 N ALA A 71 0.455 -6.883 -8.382 1.00 7.33 N ATOM 642 CA ALA A 71 0.590 -6.355 -7.032 1.00 8.44 C ATOM 643 C ALA A 71 -0.257 -7.162 -6.053 1.00 6.60 C ATOM 644 O ALA A 71 0.211 -7.504 -4.969 1.00 8.14 O ATOM 645 CB ALA A 71 0.235 -4.862 -6.977 1.00 7.54 C ATOM 646 H ALA A 71 -0.034 -6.322 -9.109 1.00 0.00 H ATOM 647 N PHE A 72 -1.492 -7.483 -6.431 1.00 6.91 N ATOM 648 CA PHE A 72 -2.359 -8.265 -5.554 1.00 8.65 C ATOM 649 C PHE A 72 -1.752 -9.646 -5.328 1.00 9.49 C ATOM 650 O PHE A 72 -1.725 -10.148 -4.203 1.00 10.04 O ATOM 651 CB PHE A 72 -3.783 -8.381 -6.125 1.00 9.90 C ATOM 652 CG PHE A 72 -4.469 -7.051 -6.346 1.00 6.04 C ATOM 653 CD1 PHE A 72 -4.307 -6.005 -5.444 1.00 8.87 C ATOM 654 CD2 PHE A 72 -5.271 -6.849 -7.465 1.00 6.42 C ATOM 655 CE1 PHE A 72 -4.943 -4.775 -5.660 1.00 7.88 C ATOM 656 CE2 PHE A 72 -5.903 -5.622 -7.690 1.00 8.20 C ATOM 657 CZ PHE A 72 -5.740 -4.587 -6.779 1.00 7.85 C ATOM 658 H PHE A 72 -1.843 -7.174 -7.360 1.00 0.00 H ATOM 659 N GLN A 73 -1.251 -10.255 -6.400 1.00 7.94 N ATOM 660 CA GLN A 73 -0.630 -11.565 -6.300 1.00 10.68 C ATOM 661 C GLN A 73 0.572 -11.526 -5.363 1.00 8.67 C ATOM 662 O GLN A 73 0.779 -12.453 -4.575 1.00 11.20 O ATOM 663 CB GLN A 73 -0.221 -12.066 -7.683 1.00 11.20 C ATOM 664 CG GLN A 73 0.452 -13.426 -7.688 1.00 18.69 C ATOM 665 CD GLN A 73 -0.141 -14.352 -8.725 1.00 34.18 C ATOM 666 OE1 GLN A 73 -1.334 -14.281 -9.027 1.00 44.04 O ATOM 667 NE2 GLN A 73 0.689 -15.221 -9.285 1.00 32.66 N ATOM 668 HE22 GLN A 73 1.688 -15.245 -8.998 1.00 0.00 H ATOM 669 HE21 GLN A 73 0.341 -15.879 -10.011 1.00 0.00 H ATOM 670 H GLN A 73 -1.305 -9.785 -7.326 1.00 0.00 H ATOM 671 N TYR A 74 1.357 -10.453 -5.442 1.00 9.87 N ATOM 672 CA TYR A 74 2.498 -10.289 -4.552 1.00 10.24 C ATOM 673 C TYR A 74 2.061 -10.220 -3.094 1.00 10.98 C ATOM 674 O TYR A 74 2.627 -10.898 -2.244 1.00 11.53 O ATOM 675 CB TYR A 74 3.321 -9.051 -4.915 1.00 9.82 C ATOM 676 CG TYR A 74 4.180 -8.561 -3.768 1.00 10.28 C ATOM 677 CD1 TYR A 74 5.402 -9.157 -3.478 1.00 11.28 C ATOM 678 CD2 TYR A 74 3.749 -7.520 -2.952 1.00 10.01 C ATOM 679 CE1 TYR A 74 6.178 -8.716 -2.418 1.00 11.17 C ATOM 680 CE2 TYR A 74 4.515 -7.075 -1.894 1.00 10.50 C ATOM 681 CZ TYR A 74 5.719 -7.681 -1.624 1.00 11.29 C ATOM 682 OH TYR A 74 6.472 -7.225 -0.571 1.00 13.33 O ATOM 683 HH TYR A 74 7.304 -7.758 -0.506 1.00 0.00 H ATOM 684 H TYR A 74 1.152 -9.720 -6.151 1.00 0.00 H ATOM 685 N VAL A 75 1.061 -9.396 -2.801 1.00 9.27 N ATOM 686 CA VAL A 75 0.628 -9.237 -1.422 1.00 10.06 C ATOM 687 C VAL A 75 0.171 -10.579 -0.849 1.00 10.50 C ATOM 688 O VAL A 75 0.501 -10.920 0.289 1.00 12.41 O ATOM 689 CB VAL A 75 -0.474 -8.184 -1.294 1.00 9.04 C ATOM 690 CG1 VAL A 75 -0.950 -8.102 0.149 1.00 12.32 C ATOM 691 CG2 VAL A 75 0.033 -6.826 -1.764 1.00 9.05 C ATOM 692 H VAL A 75 0.587 -8.864 -3.559 1.00 0.00 H ATOM 693 N GLN A 76 -0.550 -11.351 -1.660 1.00 11.31 N ATOM 694 CA GLN A 76 -1.011 -12.678 -1.268 1.00 11.97 C ATOM 695 C GLN A 76 0.163 -13.606 -0.963 1.00 13.20 C ATOM 696 O GLN A 76 0.232 -14.215 0.105 1.00 14.96 O ATOM 697 CB GLN A 76 -1.870 -13.283 -2.378 1.00 12.05 C ATOM 698 CG GLN A 76 -2.303 -14.720 -2.108 1.00 14.95 C ATOM 699 CD GLN A 76 -3.148 -15.287 -3.224 1.00 18.24 C ATOM 700 OE1 GLN A 76 -3.081 -14.821 -4.355 1.00 22.49 O ATOM 701 NE2 GLN A 76 -3.949 -16.296 -2.912 1.00 25.28 N ATOM 702 HE22 GLN A 76 -3.973 -16.659 -1.938 1.00 0.00 H ATOM 703 HE21 GLN A 76 -4.554 -16.725 -3.641 1.00 0.00 H ATOM 704 H GLN A 76 -0.793 -10.995 -2.606 1.00 0.00 H ATOM 705 N LYS A 77 1.085 -13.711 -1.915 1.00 11.52 N ATOM 706 CA LYS A 77 2.244 -14.592 -1.786 1.00 13.83 C ATOM 707 C LYS A 77 3.166 -14.150 -0.645 1.00 11.79 C ATOM 708 O LYS A 77 3.726 -14.983 0.083 1.00 17.50 O ATOM 709 CB LYS A 77 2.993 -14.611 -3.117 1.00 16.13 C ATOM 710 CG LYS A 77 4.260 -15.424 -3.151 1.00 26.91 C ATOM 711 CD LYS A 77 4.796 -15.468 -4.578 1.00 30.52 C ATOM 712 CE LYS A 77 6.154 -16.123 -4.644 1.00 41.70 C ATOM 713 NZ LYS A 77 7.164 -15.368 -3.849 1.00 45.93 N ATOM 714 HZ1 LYS A 77 7.246 -14.401 -4.223 1.00 0.00 H ATOM 715 HZ2 LYS A 77 6.863 -15.332 -2.854 1.00 0.00 H ATOM 716 HZ3 LYS A 77 8.085 -15.846 -3.917 1.00 0.00 H ATOM 717 H LYS A 77 0.978 -13.146 -2.782 1.00 0.00 H ATOM 718 N ASN A 78 3.289 -12.837 -0.473 1.00 11.20 N ATOM 719 CA ASN A 78 4.136 -12.248 0.563 1.00 11.52 C ATOM 720 C ASN A 78 3.523 -12.356 1.957 1.00 14.53 C ATOM 721 O ASN A 78 4.214 -12.155 2.962 1.00 14.21 O ATOM 722 CB ASN A 78 4.403 -10.775 0.225 1.00 13.84 C ATOM 723 CG ASN A 78 5.486 -10.160 1.084 1.00 12.66 C ATOM 724 OD1 ASN A 78 6.618 -10.645 1.120 1.00 13.18 O ATOM 725 ND2 ASN A 78 5.147 -9.079 1.780 1.00 13.78 N ATOM 726 HD22 ASN A 78 4.179 -8.704 1.719 1.00 0.00 H ATOM 727 HD21 ASN A 78 5.850 -8.609 2.385 1.00 0.00 H ATOM 728 H ASN A 78 2.759 -12.201 -1.103 1.00 0.00 H ATOM 729 N ARG A 79 2.233 -12.688 2.004 1.00 14.76 N ATOM 730 CA ARG A 79 1.457 -12.750 3.247 1.00 13.53 C ATOM 731 C ARG A 79 1.313 -11.384 3.917 1.00 12.46 C ATOM 732 O ARG A 79 1.114 -11.296 5.131 1.00 13.81 O ATOM 733 CB ARG A 79 2.040 -13.781 4.233 1.00 15.49 C ATOM 734 CG ARG A 79 2.191 -15.187 3.645 1.00 19.19 C ATOM 735 CD ARG A 79 2.698 -16.207 4.666 1.00 19.68 C ATOM 736 NE ARG A 79 3.972 -15.808 5.264 1.00 36.86 N ATOM 737 CZ ARG A 79 5.169 -16.091 4.754 1.00 37.65 C ATOM 738 NH1 ARG A 79 5.278 -16.782 3.624 1.00 32.60 N ATOM 739 NH2 ARG A 79 6.262 -15.678 5.379 1.00 34.65 N ATOM 740 HE ARG A 79 3.941 -15.265 6.150 1.00 0.00 H ATOM 741 HH12 ARG A 79 6.218 -16.997 3.235 1.00 0.00 H ATOM 742 HH11 ARG A 79 4.423 -17.107 3.129 1.00 0.00 H ATOM 743 HH22 ARG A 79 7.200 -15.896 4.986 1.00 0.00 H ATOM 744 HH21 ARG A 79 6.182 -15.136 6.263 1.00 0.00 H ATOM 745 H ARG A 79 1.751 -12.915 1.111 1.00 0.00 H ATOM 746 N GLY A 80 1.401 -10.312 3.133 1.00 11.08 N ATOM 747 CA GLY A 80 1.148 -8.989 3.675 1.00 13.19 C ATOM 748 C GLY A 80 1.642 -7.817 2.848 1.00 9.66 C ATOM 749 O GLY A 80 2.461 -7.962 1.932 1.00 11.02 O ATOM 750 H GLY A 80 1.652 -10.422 2.130 1.00 0.00 H ATOM 751 N ILE A 81 1.126 -6.640 3.186 1.00 10.42 N ATOM 752 CA ILE A 81 1.635 -5.374 2.670 1.00 11.32 C ATOM 753 C ILE A 81 1.775 -4.408 3.849 1.00 7.80 C ATOM 754 O ILE A 81 0.941 -4.398 4.765 1.00 9.24 O ATOM 755 CB ILE A 81 0.722 -4.780 1.557 1.00 9.08 C ATOM 756 CG1 ILE A 81 1.312 -3.479 1.003 1.00 8.50 C ATOM 757 CG2 ILE A 81 -0.683 -4.552 2.083 1.00 8.54 C ATOM 758 CD1 ILE A 81 0.564 -2.893 -0.180 1.00 9.27 C ATOM 759 H ILE A 81 0.324 -6.621 3.848 1.00 0.00 H ATOM 760 N ASP A 82 2.847 -3.622 3.842 1.00 7.93 N ATOM 761 CA ASP A 82 3.088 -2.659 4.907 1.00 8.64 C ATOM 762 C ASP A 82 2.193 -1.436 4.801 1.00 8.52 C ATOM 763 O ASP A 82 1.659 -1.124 3.734 1.00 8.38 O ATOM 764 CB ASP A 82 4.545 -2.192 4.873 1.00 10.13 C ATOM 765 CG ASP A 82 5.500 -3.211 5.434 1.00 9.11 C ATOM 766 OD1 ASP A 82 5.099 -3.970 6.334 1.00 10.55 O ATOM 767 OD2 ASP A 82 6.656 -3.244 4.991 1.00 11.84 O ATOM 768 H ASP A 82 3.528 -3.697 3.059 1.00 0.00 H ATOM 769 N SER A 83 2.035 -0.733 5.919 1.00 10.88 N ATOM 770 CA SER A 83 1.414 0.585 5.903 1.00 9.67 C ATOM 771 C SER A 83 2.359 1.604 5.271 1.00 8.26 C ATOM 772 O SER A 83 3.580 1.421 5.263 1.00 10.52 O ATOM 773 CB SER A 83 1.082 1.031 7.325 1.00 10.18 C ATOM 774 OG SER A 83 2.266 1.174 8.092 1.00 11.98 O ATOM 775 HG SER A 83 2.031 1.463 9.009 1.00 0.00 H ATOM 776 H SER A 83 2.361 -1.132 6.822 1.00 0.00 H ATOM 777 N GLU A 84 1.779 2.690 4.761 1.00 9.82 N ATOM 778 CA GLU A 84 2.559 3.834 4.297 1.00 12.66 C ATOM 779 C GLU A 84 3.495 4.335 5.389 1.00 11.91 C ATOM 780 O GLU A 84 4.655 4.646 5.131 1.00 14.36 O ATOM 781 CB GLU A 84 1.631 4.968 3.860 1.00 10.91 C ATOM 782 CG GLU A 84 2.330 6.318 3.691 1.00 11.64 C ATOM 783 CD GLU A 84 3.256 6.368 2.485 1.00 9.87 C ATOM 784 OE1 GLU A 84 3.035 5.606 1.515 1.00 10.72 O ATOM 785 OE2 GLU A 84 4.196 7.196 2.491 1.00 13.65 O ATOM 786 H GLU A 84 0.742 2.724 4.692 1.00 0.00 H ATOM 787 N ASP A 85 2.993 4.405 6.615 1.00 14.26 N ATOM 788 CA ASP A 85 3.794 4.913 7.722 1.00 17.81 C ATOM 789 C ASP A 85 5.055 4.071 7.936 1.00 16.63 C ATOM 790 O ASP A 85 6.128 4.604 8.223 1.00 24.88 O ATOM 791 CB ASP A 85 2.955 4.952 9.003 1.00 22.23 C ATOM 792 CG ASP A 85 3.508 5.909 10.036 1.00 41.25 C ATOM 793 OD1 ASP A 85 3.638 5.494 11.206 1.00 50.63 O ATOM 794 OD2 ASP A 85 3.797 7.075 9.685 1.00 48.78 O ATOM 795 H ASP A 85 2.016 4.094 6.788 1.00 0.00 H ATOM 796 N ALA A 86 4.921 2.757 7.774 1.00 15.64 N ATOM 797 CA ALA A 86 6.027 1.823 7.999 1.00 16.01 C ATOM 798 C ALA A 86 6.978 1.670 6.805 1.00 17.19 C ATOM 799 O ALA A 86 8.110 1.211 6.963 1.00 25.12 O ATOM 800 CB ALA A 86 5.480 0.462 8.406 1.00 16.69 C ATOM 801 H ALA A 86 3.998 2.380 7.477 1.00 0.00 H ATOM 802 N TYR A 87 6.512 2.034 5.616 1.00 12.52 N ATOM 803 CA TYR A 87 7.299 1.877 4.400 1.00 13.23 C ATOM 804 C TYR A 87 6.939 3.050 3.489 1.00 12.12 C ATOM 805 O TYR A 87 6.164 2.899 2.548 1.00 11.79 O ATOM 806 CB TYR A 87 6.966 0.523 3.765 1.00 12.91 C ATOM 807 CG TYR A 87 7.929 0.007 2.718 1.00 11.41 C ATOM 808 CD1 TYR A 87 8.735 0.870 1.983 1.00 10.27 C ATOM 809 CD2 TYR A 87 8.021 -1.360 2.452 1.00 12.70 C ATOM 810 CE1 TYR A 87 9.609 0.388 1.018 1.00 12.06 C ATOM 811 CE2 TYR A 87 8.886 -1.849 1.488 1.00 14.32 C ATOM 812 CZ TYR A 87 9.675 -0.974 0.773 1.00 12.63 C ATOM 813 OH TYR A 87 10.539 -1.467 -0.181 1.00 13.09 O ATOM 814 HH TYR A 87 11.029 -0.716 -0.601 1.00 0.00 H ATOM 815 H TYR A 87 5.558 2.443 5.551 1.00 0.00 H ATOM 816 N PRO A 88 7.490 4.242 3.783 1.00 12.47 N ATOM 817 CA PRO A 88 7.022 5.477 3.139 1.00 12.78 C ATOM 818 C PRO A 88 7.375 5.596 1.653 1.00 9.78 C ATOM 819 O PRO A 88 8.395 5.070 1.195 1.00 12.03 O ATOM 820 CB PRO A 88 7.739 6.582 3.932 1.00 17.07 C ATOM 821 CG PRO A 88 8.218 5.930 5.185 1.00 21.51 C ATOM 822 CD PRO A 88 8.506 4.517 4.815 1.00 16.05 C ATOM 823 N TYR A 89 6.539 6.324 0.918 1.00 11.96 N ATOM 824 CA TYR A 89 6.755 6.548 -0.503 1.00 9.93 C ATOM 825 C TYR A 89 7.849 7.594 -0.725 1.00 13.75 C ATOM 826 O TYR A 89 7.776 8.699 -0.191 1.00 14.71 O ATOM 827 CB TYR A 89 5.442 6.999 -1.148 1.00 9.82 C ATOM 828 CG TYR A 89 5.514 7.139 -2.647 1.00 9.79 C ATOM 829 CD1 TYR A 89 5.739 6.029 -3.453 1.00 9.14 C ATOM 830 CD2 TYR A 89 5.334 8.374 -3.264 1.00 10.02 C ATOM 831 CE1 TYR A 89 5.805 6.145 -4.824 1.00 9.58 C ATOM 832 CE2 TYR A 89 5.390 8.498 -4.647 1.00 9.55 C ATOM 833 CZ TYR A 89 5.628 7.376 -5.416 1.00 7.80 C ATOM 834 OH TYR A 89 5.681 7.473 -6.782 1.00 8.52 O ATOM 835 HH TYR A 89 4.816 7.814 -7.121 1.00 0.00 H ATOM 836 H TYR A 89 5.705 6.746 1.373 1.00 0.00 H ATOM 837 N VAL A 90 8.867 7.239 -1.499 1.00 13.61 N ATOM 838 CA VAL A 90 9.963 8.168 -1.751 1.00 15.15 C ATOM 839 C VAL A 90 10.031 8.617 -3.208 1.00 12.49 C ATOM 840 O VAL A 90 10.887 9.419 -3.565 1.00 18.09 O ATOM 841 CB VAL A 90 11.339 7.597 -1.315 1.00 14.26 C ATOM 842 CG1 VAL A 90 11.303 7.168 0.144 1.00 15.69 C ATOM 843 CG2 VAL A 90 11.737 6.438 -2.206 1.00 16.11 C ATOM 844 H VAL A 90 8.883 6.292 -1.929 1.00 0.00 H ATOM 845 N GLY A 91 9.146 8.092 -4.052 1.00 12.57 N ATOM 846 CA GLY A 91 9.053 8.574 -5.422 1.00 15.01 C ATOM 847 C GLY A 91 10.100 8.049 -6.390 1.00 13.91 C ATOM 848 O GLY A 91 10.249 8.574 -7.495 1.00 14.43 O ATOM 849 H GLY A 91 8.515 7.331 -3.730 1.00 0.00 H ATOM 850 N GLN A 92 10.826 7.018 -5.977 1.00 12.38 N ATOM 851 CA GLN A 92 11.699 6.265 -6.881 1.00 13.18 C ATOM 852 C GLN A 92 11.849 4.859 -6.321 1.00 11.07 C ATOM 853 O GLN A 92 11.577 4.630 -5.137 1.00 14.24 O ATOM 854 CB GLN A 92 13.069 6.935 -7.051 1.00 14.87 C ATOM 855 CG GLN A 92 13.880 7.026 -5.775 1.00 16.66 C ATOM 856 CD GLN A 92 15.233 7.651 -6.002 1.00 21.43 C ATOM 857 OE1 GLN A 92 16.014 7.191 -6.833 1.00 25.15 O ATOM 858 NE2 GLN A 92 15.518 8.708 -5.265 1.00 24.43 N ATOM 859 HE22 GLN A 92 14.826 9.062 -4.574 1.00 0.00 H ATOM 860 HE21 GLN A 92 16.435 9.187 -5.375 1.00 0.00 H ATOM 861 H GLN A 92 10.774 6.735 -4.978 1.00 0.00 H ATOM 862 N GLU A 93 12.257 3.913 -7.157 1.00 11.14 N ATOM 863 CA GLU A 93 12.398 2.534 -6.701 1.00 11.34 C ATOM 864 C GLU A 93 13.587 2.358 -5.755 1.00 12.89 C ATOM 865 O GLU A 93 14.712 2.819 -6.038 1.00 13.91 O ATOM 866 CB GLU A 93 12.519 1.553 -7.875 1.00 11.54 C ATOM 867 CG GLU A 93 12.606 0.095 -7.425 1.00 13.49 C ATOM 868 CD GLU A 93 12.641 -0.890 -8.575 1.00 14.93 C ATOM 869 OE1 GLU A 93 12.384 -0.481 -9.727 1.00 19.75 O ATOM 870 OE2 GLU A 93 12.914 -2.085 -8.325 1.00 21.48 O ATOM 871 H GLU A 93 12.478 4.156 -8.144 1.00 0.00 H ATOM 872 N GLU A 94 13.338 1.677 -4.643 1.00 13.10 N ATOM 873 CA GLU A 94 14.383 1.297 -3.700 1.00 15.35 C ATOM 874 C GLU A 94 14.552 -0.212 -3.733 1.00 15.22 C ATOM 875 O GLU A 94 13.797 -0.922 -4.403 1.00 18.36 O ATOM 876 CB GLU A 94 13.987 1.709 -2.279 1.00 15.57 C ATOM 877 CG GLU A 94 13.696 3.195 -2.094 1.00 20.45 C ATOM 878 CD GLU A 94 13.088 3.509 -0.734 1.00 18.82 C ATOM 879 OE1 GLU A 94 11.888 3.206 -0.532 1.00 19.02 O ATOM 880 OE2 GLU A 94 13.804 4.063 0.128 1.00 20.91 O ATOM 881 H GLU A 94 12.356 1.403 -4.436 1.00 0.00 H ATOM 882 N SER A 95 15.552 -0.705 -3.003 1.00 17.80 N ATOM 883 CA SER A 95 15.622 -2.130 -2.711 1.00 19.78 C ATOM 884 C SER A 95 14.383 -2.524 -1.907 1.00 19.04 C ATOM 885 O SER A 95 13.799 -1.690 -1.213 1.00 17.05 O ATOM 886 CB SER A 95 16.888 -2.450 -1.917 1.00 20.54 C ATOM 887 OG SER A 95 16.995 -1.625 -0.768 1.00 31.97 O ATOM 888 HG SER A 95 17.028 -0.676 -1.047 1.00 0.00 H ATOM 889 H SER A 95 16.288 -0.067 -2.639 1.00 0.00 H ATOM 890 N CYS A 96 13.967 -3.783 -2.005 1.00 14.99 N ATOM 891 CA CYS A 96 12.798 -4.234 -1.251 1.00 13.85 C ATOM 892 C CYS A 96 13.051 -4.177 0.254 1.00 16.39 C ATOM 893 O CYS A 96 13.944 -4.853 0.780 1.00 18.97 O ATOM 894 CB CYS A 96 12.387 -5.647 -1.665 1.00 15.55 C ATOM 895 SG CYS A 96 10.853 -6.219 -0.894 1.00 16.72 S ATOM 896 H CYS A 96 14.475 -4.450 -2.620 1.00 0.00 H ATOM 897 N MET A 97 12.251 -3.371 0.945 1.00 16.91 N ATOM 898 CA MET A 97 12.433 -3.150 2.371 1.00 19.43 C ATOM 899 C MET A 97 11.226 -3.627 3.164 1.00 16.89 C ATOM 900 O MET A 97 10.946 -3.096 4.237 1.00 18.56 O ATOM 901 CB MET A 97 12.690 -1.663 2.640 1.00 21.08 C ATOM 902 CG MET A 97 13.956 -1.134 1.975 1.00 27.60 C ATOM 903 SD MET A 97 14.058 0.666 1.876 1.00 37.56 S ATOM 904 CE MET A 97 15.696 0.855 1.182 1.00 25.10 C ATOM 905 H MET A 97 11.474 -2.885 0.453 1.00 0.00 H ATOM 906 N TYR A 98 10.511 -4.626 2.644 1.00 13.21 N ATOM 907 CA TYR A 98 9.330 -5.139 3.341 1.00 11.11 C ATOM 908 C TYR A 98 9.670 -5.680 4.724 1.00 13.35 C ATOM 909 O TYR A 98 10.650 -6.402 4.899 1.00 15.90 O ATOM 910 CB TYR A 98 8.602 -6.217 2.534 1.00 13.63 C ATOM 911 CG TYR A 98 7.472 -6.859 3.315 1.00 11.46 C ATOM 912 CD1 TYR A 98 6.260 -6.197 3.491 1.00 13.67 C ATOM 913 CD2 TYR A 98 7.626 -8.114 3.901 1.00 12.07 C ATOM 914 CE1 TYR A 98 5.229 -6.769 4.212 1.00 14.47 C ATOM 915 CE2 TYR A 98 6.595 -8.693 4.631 1.00 12.28 C ATOM 916 CZ TYR A 98 5.399 -8.016 4.777 1.00 11.76 C ATOM 917 OH TYR A 98 4.369 -8.585 5.495 1.00 12.59 O ATOM 918 HH TYR A 98 4.110 -9.443 5.074 1.00 0.00 H ATOM 919 H TYR A 98 10.795 -5.044 1.735 1.00 0.00 H ATOM 920 N ASN A 99 8.843 -5.329 5.700 1.00 14.45 N ATOM 921 CA ASN A 99 9.028 -5.780 7.069 1.00 16.34 C ATOM 922 C ASN A 99 7.698 -6.296 7.586 1.00 14.25 C ATOM 923 O ASN A 99 6.722 -5.562 7.612 1.00 14.36 O ATOM 924 CB ASN A 99 9.497 -4.615 7.936 1.00 15.70 C ATOM 925 CG ASN A 99 9.968 -5.056 9.311 1.00 22.74 C ATOM 926 OD1 ASN A 99 9.636 -6.141 9.781 1.00 23.30 O ATOM 927 ND2 ASN A 99 10.747 -4.205 9.963 1.00 28.66 N ATOM 928 HD22 ASN A 99 11.004 -3.296 9.527 1.00 0.00 H ATOM 929 HD21 ASN A 99 11.102 -4.446 10.911 1.00 0.00 H ATOM 930 H ASN A 99 8.036 -4.711 5.478 1.00 0.00 H ATOM 931 N PRO A 100 7.646 -7.570 8.000 1.00 13.47 N ATOM 932 CA PRO A 100 6.364 -8.096 8.475 1.00 15.30 C ATOM 933 C PRO A 100 5.841 -7.380 9.722 1.00 18.44 C ATOM 934 O PRO A 100 4.636 -7.420 9.957 1.00 17.39 O ATOM 935 CB PRO A 100 6.669 -9.572 8.765 1.00 19.80 C ATOM 936 CG PRO A 100 8.164 -9.661 8.862 1.00 21.24 C ATOM 937 CD PRO A 100 8.692 -8.604 7.946 1.00 15.68 C ATOM 938 N THR A 101 6.706 -6.716 10.486 1.00 15.97 N ATOM 939 CA THR A 101 6.246 -6.009 11.684 1.00 18.06 C ATOM 940 C THR A 101 5.328 -4.836 11.339 1.00 19.53 C ATOM 941 O THR A 101 4.472 -4.461 12.136 1.00 22.56 O ATOM 942 CB THR A 101 7.406 -5.498 12.571 1.00 20.38 C ATOM 943 OG1 THR A 101 8.116 -4.451 11.898 1.00 29.53 O ATOM 944 CG2 THR A 101 8.359 -6.628 12.923 1.00 19.58 C ATOM 945 HG1 THR A 101 7.496 -3.702 11.709 1.00 0.00 H ATOM 946 H THR A 101 7.714 -6.699 10.231 1.00 0.00 H ATOM 947 N GLY A 102 5.506 -4.265 10.150 1.00 18.21 N ATOM 948 CA GLY A 102 4.682 -3.154 9.709 1.00 15.88 C ATOM 949 C GLY A 102 3.484 -3.568 8.876 1.00 13.06 C ATOM 950 O GLY A 102 2.821 -2.720 8.270 1.00 13.28 O ATOM 951 H GLY A 102 6.253 -4.623 9.522 1.00 0.00 H ATOM 952 N LYS A 103 3.199 -4.868 8.845 1.00 13.45 N ATOM 953 CA LYS A 103 2.073 -5.390 8.065 1.00 12.83 C ATOM 954 C LYS A 103 0.746 -4.743 8.469 1.00 9.46 C ATOM 955 O LYS A 103 0.423 -4.653 9.658 1.00 13.69 O ATOM 956 CB LYS A 103 1.980 -6.913 8.228 1.00 14.79 C ATOM 957 CG LYS A 103 1.036 -7.594 7.254 1.00 16.50 C ATOM 958 CD LYS A 103 0.812 -9.062 7.624 1.00 16.72 C ATOM 959 CE LYS A 103 2.115 -9.815 7.832 1.00 17.02 C ATOM 960 NZ LYS A 103 1.917 -11.301 7.838 1.00 20.17 N ATOM 961 HZ1 LYS A 103 1.268 -11.560 8.608 1.00 0.00 H ATOM 962 HZ2 LYS A 103 1.513 -11.599 6.927 1.00 0.00 H ATOM 963 HZ3 LYS A 103 2.833 -11.771 7.983 1.00 0.00 H ATOM 964 H LYS A 103 3.790 -5.530 9.388 1.00 0.00 H ATOM 965 N ALA A 104 -0.032 -4.310 7.483 1.00 9.52 N ATOM 966 CA ALA A 104 -1.301 -3.633 7.767 1.00 9.46 C ATOM 967 C ALA A 104 -2.481 -4.226 7.003 1.00 10.58 C ATOM 968 O ALA A 104 -3.635 -3.943 7.324 1.00 12.10 O ATOM 969 CB ALA A 104 -1.188 -2.131 7.499 1.00 10.73 C ATOM 970 H ALA A 104 0.263 -4.453 6.496 1.00 0.00 H ATOM 971 N ALA A 105 -2.194 -5.036 5.990 1.00 9.16 N ATOM 972 CA ALA A 105 -3.251 -5.712 5.244 1.00 9.88 C ATOM 973 C ALA A 105 -2.743 -6.995 4.608 1.00 10.27 C ATOM 974 O ALA A 105 -1.540 -7.162 4.397 1.00 10.62 O ATOM 975 CB ALA A 105 -3.844 -4.785 4.185 1.00 10.73 C ATOM 976 H ALA A 105 -1.201 -5.191 5.724 1.00 0.00 H ATOM 977 N LYS A 106 -3.670 -7.889 4.297 1.00 11.94 N ATOM 978 CA LYS A 106 -3.357 -9.117 3.583 1.00 12.30 C ATOM 979 C LYS A 106 -4.223 -9.223 2.346 1.00 9.88 C ATOM 980 O LYS A 106 -5.182 -8.467 2.179 1.00 13.89 O ATOM 981 CB LYS A 106 -3.585 -10.335 4.476 1.00 13.72 C ATOM 982 CG LYS A 106 -2.487 -10.548 5.503 1.00 12.96 C ATOM 983 CD LYS A 106 -2.837 -11.685 6.444 1.00 15.90 C ATOM 984 CE LYS A 106 -1.680 -12.033 7.355 1.00 26.89 C ATOM 985 NZ LYS A 106 -2.079 -13.057 8.359 1.00 27.63 N ATOM 986 HZ1 LYS A 106 -2.860 -12.687 8.938 1.00 0.00 H ATOM 987 HZ2 LYS A 106 -2.388 -13.920 7.868 1.00 0.00 H ATOM 988 HZ3 LYS A 106 -1.267 -13.277 8.970 1.00 0.00 H ATOM 989 H LYS A 106 -4.656 -7.706 4.573 1.00 0.00 H ATOM 990 N CYS A 107 -3.876 -10.165 1.476 1.00 10.34 N ATOM 991 CA CYS A 107 -4.632 -10.388 0.256 1.00 11.41 C ATOM 992 C CYS A 107 -4.794 -11.887 0.045 1.00 13.87 C ATOM 993 O CYS A 107 -3.845 -12.649 0.236 1.00 14.47 O ATOM 994 CB CYS A 107 -3.915 -9.748 -0.939 1.00 14.16 C ATOM 995 SG CYS A 107 -4.757 -9.959 -2.513 1.00 12.47 S ATOM 996 H CYS A 107 -3.044 -10.757 1.673 1.00 0.00 H ATOM 997 N ARG A 108 -5.998 -12.306 -0.330 1.00 13.33 N ATOM 998 CA ARG A 108 -6.284 -13.722 -0.541 1.00 14.98 C ATOM 999 C ARG A 108 -6.519 -14.044 -2.007 1.00 18.11 C ATOM 1000 O ARG A 108 -7.133 -15.057 -2.342 1.00 23.30 O ATOM 1001 CB ARG A 108 -7.468 -14.172 0.317 1.00 20.56 C ATOM 1002 CG ARG A 108 -7.029 -14.585 1.712 1.00 28.59 C ATOM 1003 CD ARG A 108 -7.974 -14.139 2.819 1.00 41.40 C ATOM 1004 NE ARG A 108 -7.302 -14.210 4.118 1.00 51.17 N ATOM 1005 CZ ARG A 108 -6.836 -13.160 4.793 1.00 48.62 C ATOM 1006 NH1 ARG A 108 -6.230 -13.345 5.959 1.00 44.25 N ATOM 1007 NH2 ARG A 108 -6.982 -11.928 4.317 1.00 39.53 N ATOM 1008 HE ARG A 108 -7.179 -15.150 4.546 1.00 0.00 H ATOM 1009 HH12 ARG A 108 -5.864 -12.529 6.490 1.00 0.00 H ATOM 1010 HH11 ARG A 108 -6.121 -14.306 6.342 1.00 0.00 H ATOM 1011 HH22 ARG A 108 -6.614 -11.116 4.853 1.00 0.00 H ATOM 1012 HH21 ARG A 108 -7.464 -11.775 3.408 1.00 0.00 H ATOM 1013 H ARG A 108 -6.755 -11.608 -0.477 1.00 0.00 H ATOM 1014 N GLY A 109 -6.010 -13.182 -2.879 1.00 17.82 N ATOM 1015 CA GLY A 109 -6.160 -13.370 -4.308 1.00 17.32 C ATOM 1016 C GLY A 109 -6.815 -12.167 -4.954 1.00 14.17 C ATOM 1017 O GLY A 109 -6.921 -11.100 -4.351 1.00 14.89 O ATOM 1018 H GLY A 109 -5.491 -12.352 -2.528 1.00 0.00 H ATOM 1019 N TYR A 110 -7.263 -12.334 -6.187 1.00 15.70 N ATOM 1020 CA TYR A 110 -7.873 -11.220 -6.884 1.00 15.40 C ATOM 1021 C TYR A 110 -8.876 -11.723 -7.897 1.00 12.43 C ATOM 1022 O TYR A 110 -8.929 -12.922 -8.198 1.00 14.69 O ATOM 1023 CB TYR A 110 -6.807 -10.350 -7.566 1.00 12.16 C ATOM 1024 CG TYR A 110 -6.077 -11.046 -8.693 1.00 13.34 C ATOM 1025 CD1 TYR A 110 -6.558 -10.995 -9.998 1.00 14.46 C ATOM 1026 CD2 TYR A 110 -4.908 -11.752 -8.452 1.00 21.48 C ATOM 1027 CE1 TYR A 110 -5.897 -11.631 -11.025 1.00 16.41 C ATOM 1028 CE2 TYR A 110 -4.242 -12.385 -9.468 1.00 21.81 C ATOM 1029 CZ TYR A 110 -4.739 -12.324 -10.754 1.00 19.33 C ATOM 1030 OH TYR A 110 -4.063 -12.962 -11.767 1.00 24.51 O ATOM 1031 HH TYR A 110 -4.544 -12.824 -12.621 1.00 0.00 H ATOM 1032 H TYR A 110 -7.178 -13.260 -6.654 1.00 0.00 H ATOM 1033 N ARG A 111 -9.702 -10.810 -8.401 1.00 9.31 N ATOM 1034 CA ARG A 111 -10.662 -11.125 -9.451 1.00 9.82 C ATOM 1035 C ARG A 111 -10.568 -10.098 -10.565 1.00 11.13 C ATOM 1036 O ARG A 111 -10.282 -8.930 -10.315 1.00 13.06 O ATOM 1037 CB ARG A 111 -12.085 -11.113 -8.900 1.00 15.77 C ATOM 1038 CG ARG A 111 -12.353 -12.134 -7.819 1.00 21.58 C ATOM 1039 CD ARG A 111 -12.448 -13.530 -8.397 1.00 26.03 C ATOM 1040 NE ARG A 111 -13.025 -14.459 -7.432 1.00 34.19 N ATOM 1041 CZ ARG A 111 -12.322 -15.119 -6.519 1.00 39.71 C ATOM 1042 NH1 ARG A 111 -11.008 -14.955 -6.448 1.00 39.33 N ATOM 1043 NH2 ARG A 111 -12.931 -15.943 -5.678 1.00 40.12 N ATOM 1044 HE ARG A 111 -14.053 -14.615 -7.461 1.00 0.00 H ATOM 1045 HH12 ARG A 111 -10.457 -15.472 -5.733 1.00 0.00 H ATOM 1046 HH11 ARG A 111 -10.528 -14.310 -7.107 1.00 0.00 H ATOM 1047 HH22 ARG A 111 -12.378 -16.459 -4.964 1.00 0.00 H ATOM 1048 HH21 ARG A 111 -13.961 -16.074 -5.732 1.00 0.00 H ATOM 1049 H ARG A 111 -9.661 -9.838 -8.033 1.00 0.00 H ATOM 1050 N GLU A 112 -10.817 -10.540 -11.792 1.00 13.55 N ATOM 1051 CA GLU A 112 -10.849 -9.646 -12.942 1.00 12.62 C ATOM 1052 C GLU A 112 -12.274 -9.478 -13.453 1.00 14.30 C ATOM 1053 O GLU A 112 -13.033 -10.445 -13.552 1.00 17.21 O ATOM 1054 CB GLU A 112 -9.955 -10.172 -14.062 1.00 13.54 C ATOM 1055 CG GLU A 112 -8.478 -10.164 -13.714 1.00 13.52 C ATOM 1056 CD GLU A 112 -7.611 -10.718 -14.827 1.00 24.44 C ATOM 1057 OE1 GLU A 112 -8.164 -11.137 -15.868 1.00 30.46 O ATOM 1058 OE2 GLU A 112 -6.371 -10.741 -14.660 1.00 27.52 O ATOM 1059 H GLU A 112 -10.994 -11.555 -11.937 1.00 0.00 H ATOM 1060 N ILE A 113 -12.633 -8.236 -13.761 1.00 12.25 N ATOM 1061 CA ILE A 113 -13.910 -7.934 -14.385 1.00 13.84 C ATOM 1062 C ILE A 113 -13.834 -8.435 -15.824 1.00 13.87 C ATOM 1063 O ILE A 113 -12.818 -8.226 -16.490 1.00 14.07 O ATOM 1064 CB ILE A 113 -14.180 -6.406 -14.385 1.00 13.07 C ATOM 1065 CG1 ILE A 113 -14.179 -5.843 -12.963 1.00 17.73 C ATOM 1066 CG2 ILE A 113 -15.482 -6.073 -15.096 1.00 17.09 C ATOM 1067 CD1 ILE A 113 -14.768 -6.758 -11.929 1.00 30.24 C ATOM 1068 H ILE A 113 -11.979 -7.456 -13.549 1.00 0.00 H ATOM 1069 N PRO A 114 -14.888 -9.122 -16.301 1.00 16.09 N ATOM 1070 CA PRO A 114 -14.947 -9.537 -17.708 1.00 18.43 C ATOM 1071 C PRO A 114 -14.652 -8.359 -18.632 1.00 14.54 C ATOM 1072 O PRO A 114 -15.250 -7.291 -18.470 1.00 16.56 O ATOM 1073 CB PRO A 114 -16.397 -9.997 -17.869 1.00 20.28 C ATOM 1074 CG PRO A 114 -16.769 -10.514 -16.513 1.00 23.88 C ATOM 1075 CD PRO A 114 -16.047 -9.612 -15.530 1.00 20.16 C ATOM 1076 N GLU A 115 -13.729 -8.545 -19.573 1.00 19.80 N ATOM 1077 CA GLU A 115 -13.224 -7.432 -20.372 1.00 19.43 C ATOM 1078 C GLU A 115 -14.319 -6.702 -21.133 1.00 16.58 C ATOM 1079 O GLU A 115 -15.108 -7.318 -21.844 1.00 17.62 O ATOM 1080 CB GLU A 115 -12.141 -7.893 -21.351 1.00 23.72 C ATOM 1081 CG GLU A 115 -11.512 -6.731 -22.120 1.00 24.65 C ATOM 1082 CD GLU A 115 -10.546 -7.177 -23.196 1.00 34.35 C ATOM 1083 OE1 GLU A 115 -10.212 -8.380 -23.244 1.00 42.01 O ATOM 1084 OE2 GLU A 115 -10.125 -6.319 -24.000 1.00 38.54 O ATOM 1085 H GLU A 115 -13.360 -9.502 -19.743 1.00 0.00 H ATOM 1086 N GLY A 116 -14.363 -5.383 -20.972 1.00 14.31 N ATOM 1087 CA GLY A 116 -15.273 -4.544 -21.727 1.00 15.95 C ATOM 1088 C GLY A 116 -16.652 -4.386 -21.124 1.00 13.04 C ATOM 1089 O GLY A 116 -17.459 -3.599 -21.628 1.00 16.32 O ATOM 1090 H GLY A 116 -13.724 -4.939 -20.282 1.00 0.00 H ATOM 1091 N ASN A 117 -16.922 -5.112 -20.042 1.00 13.55 N ATOM 1092 CA ASN A 117 -18.267 -5.170 -19.477 1.00 15.95 C ATOM 1093 C ASN A 117 -18.480 -4.150 -18.356 1.00 12.89 C ATOM 1094 O ASN A 117 -18.113 -4.387 -17.199 1.00 13.60 O ATOM 1095 CB ASN A 117 -18.575 -6.593 -18.992 1.00 18.44 C ATOM 1096 CG ASN A 117 -20.045 -6.802 -18.680 1.00 16.74 C ATOM 1097 OD1 ASN A 117 -20.762 -5.863 -18.332 1.00 17.23 O ATOM 1098 ND2 ASN A 117 -20.505 -8.040 -18.815 1.00 22.21 N ATOM 1099 HD22 ASN A 117 -19.864 -8.803 -19.111 1.00 0.00 H ATOM 1100 HD21 ASN A 117 -21.506 -8.246 -18.624 1.00 0.00 H ATOM 1101 H ASN A 117 -16.157 -5.651 -19.588 1.00 0.00 H ATOM 1102 N GLU A 118 -19.090 -3.020 -18.704 1.00 13.40 N ATOM 1103 CA GLU A 118 -19.321 -1.952 -17.739 1.00 13.57 C ATOM 1104 C GLU A 118 -20.408 -2.303 -16.732 1.00 13.68 C ATOM 1105 O GLU A 118 -20.413 -1.777 -15.618 1.00 14.15 O ATOM 1106 CB GLU A 118 -19.661 -0.641 -18.448 1.00 11.67 C ATOM 1107 CG GLU A 118 -18.486 0.011 -19.165 1.00 12.79 C ATOM 1108 CD GLU A 118 -18.839 1.392 -19.666 1.00 13.93 C ATOM 1109 OE1 GLU A 118 -18.735 2.348 -18.869 1.00 12.42 O ATOM 1110 OE2 GLU A 118 -19.247 1.516 -20.837 1.00 17.13 O ATOM 1111 H GLU A 118 -19.409 -2.896 -19.686 1.00 0.00 H ATOM 1112 N LYS A 119 -21.331 -3.180 -17.121 1.00 13.89 N ATOM 1113 CA LYS A 119 -22.371 -3.610 -16.203 1.00 13.88 C ATOM 1114 C LYS A 119 -21.740 -4.459 -15.101 1.00 15.12 C ATOM 1115 O LYS A 119 -22.073 -4.323 -13.925 1.00 14.55 O ATOM 1116 CB LYS A 119 -23.445 -4.392 -16.957 1.00 18.93 C ATOM 1117 CG LYS A 119 -24.671 -4.758 -16.136 1.00 31.69 C ATOM 1118 CD LYS A 119 -25.706 -5.448 -17.016 1.00 31.43 C ATOM 1119 CE LYS A 119 -26.867 -6.013 -16.219 1.00 39.19 C ATOM 1120 NZ LYS A 119 -27.592 -7.048 -17.010 1.00 40.11 N ATOM 1121 HZ1 LYS A 119 -27.959 -6.620 -17.884 1.00 0.00 H ATOM 1122 HZ2 LYS A 119 -26.938 -7.821 -17.249 1.00 0.00 H ATOM 1123 HZ3 LYS A 119 -28.383 -7.422 -16.447 1.00 0.00 H ATOM 1124 H LYS A 119 -21.307 -3.560 -18.089 1.00 0.00 H ATOM 1125 N ALA A 120 -20.816 -5.329 -15.494 1.00 15.98 N ATOM 1126 CA ALA A 120 -20.086 -6.157 -14.543 1.00 13.81 C ATOM 1127 C ALA A 120 -19.208 -5.287 -13.646 1.00 14.03 C ATOM 1128 O ALA A 120 -19.069 -5.555 -12.449 1.00 13.89 O ATOM 1129 CB ALA A 120 -19.247 -7.184 -15.274 1.00 13.00 C ATOM 1130 H ALA A 120 -20.608 -5.422 -16.509 1.00 0.00 H ATOM 1131 N LEU A 121 -18.607 -4.252 -14.224 1.00 12.33 N ATOM 1132 CA LEU A 121 -17.809 -3.320 -13.432 1.00 11.49 C ATOM 1133 C LEU A 121 -18.677 -2.617 -12.390 1.00 10.11 C ATOM 1134 O LEU A 121 -18.277 -2.488 -11.233 1.00 9.80 O ATOM 1135 CB LEU A 121 -17.102 -2.303 -14.331 1.00 9.10 C ATOM 1136 CG LEU A 121 -16.278 -1.237 -13.603 1.00 7.54 C ATOM 1137 CD1 LEU A 121 -15.242 -1.854 -12.660 1.00 10.60 C ATOM 1138 CD2 LEU A 121 -15.585 -0.316 -14.608 1.00 9.08 C ATOM 1139 H LEU A 121 -18.706 -4.105 -15.249 1.00 0.00 H ATOM 1140 N LYS A 122 -19.873 -2.189 -12.798 1.00 9.07 N ATOM 1141 CA LYS A 122 -20.821 -1.552 -11.885 1.00 8.17 C ATOM 1142 C LYS A 122 -21.203 -2.511 -10.758 1.00 11.45 C ATOM 1143 O LYS A 122 -21.199 -2.136 -9.579 1.00 12.65 O ATOM 1144 CB LYS A 122 -22.080 -1.096 -12.633 1.00 11.88 C ATOM 1145 CG LYS A 122 -23.190 -0.568 -11.733 1.00 13.61 C ATOM 1146 CD LYS A 122 -24.434 -0.191 -12.528 1.00 13.37 C ATOM 1147 CE LYS A 122 -25.589 0.187 -11.594 1.00 16.01 C ATOM 1148 NZ LYS A 122 -26.858 0.529 -12.307 1.00 18.97 N ATOM 1149 HZ1 LYS A 122 -26.693 1.340 -12.937 1.00 0.00 H ATOM 1150 HZ2 LYS A 122 -27.170 -0.289 -12.868 1.00 0.00 H ATOM 1151 HZ3 LYS A 122 -27.591 0.773 -11.610 1.00 0.00 H ATOM 1152 H LYS A 122 -20.139 -2.312 -13.796 1.00 0.00 H ATOM 1153 N ARG A 123 -21.528 -3.750 -11.122 1.00 11.45 N ATOM 1154 CA ARG A 123 -21.870 -4.759 -10.124 1.00 14.19 C ATOM 1155 C ARG A 123 -20.715 -4.983 -9.150 1.00 15.46 C ATOM 1156 O ARG A 123 -20.923 -5.118 -7.940 1.00 13.67 O ATOM 1157 CB ARG A 123 -22.252 -6.082 -10.794 1.00 16.70 C ATOM 1158 CG ARG A 123 -23.604 -6.069 -11.499 1.00 25.23 C ATOM 1159 CD ARG A 123 -23.993 -7.462 -12.010 1.00 29.67 C ATOM 1160 NE ARG A 123 -23.116 -7.947 -13.076 1.00 36.68 N ATOM 1161 CZ ARG A 123 -23.496 -8.120 -14.340 1.00 37.72 C ATOM 1162 NH1 ARG A 123 -24.744 -7.859 -14.704 1.00 51.00 N ATOM 1163 NH2 ARG A 123 -22.632 -8.567 -15.242 1.00 35.95 N ATOM 1164 HE ARG A 123 -22.131 -8.171 -12.830 1.00 0.00 H ATOM 1165 HH12 ARG A 123 -25.037 -7.996 -15.693 1.00 0.00 H ATOM 1166 HH11 ARG A 123 -25.430 -7.518 -14.001 1.00 0.00 H ATOM 1167 HH22 ARG A 123 -22.933 -8.701 -16.229 1.00 0.00 H ATOM 1168 HH21 ARG A 123 -21.654 -8.784 -14.963 1.00 0.00 H ATOM 1169 H ARG A 123 -21.538 -4.002 -12.131 1.00 0.00 H ATOM 1170 N ALA A 124 -19.492 -5.015 -9.671 1.00 13.86 N ATOM 1171 CA ALA A 124 -18.326 -5.213 -8.817 1.00 14.44 C ATOM 1172 C ALA A 124 -18.151 -4.046 -7.856 1.00 10.68 C ATOM 1173 O ALA A 124 -17.934 -4.244 -6.659 1.00 10.73 O ATOM 1174 CB ALA A 124 -17.076 -5.411 -9.646 1.00 12.92 C ATOM 1175 H ALA A 124 -19.366 -4.898 -10.697 1.00 0.00 H ATOM 1176 N VAL A 125 -18.241 -2.824 -8.373 1.00 8.52 N ATOM 1177 CA VAL A 125 -18.113 -1.661 -7.506 1.00 9.62 C ATOM 1178 C VAL A 125 -19.176 -1.713 -6.407 1.00 9.54 C ATOM 1179 O VAL A 125 -18.862 -1.516 -5.234 1.00 11.86 O ATOM 1180 CB VAL A 125 -18.186 -0.336 -8.303 1.00 7.43 C ATOM 1181 CG1 VAL A 125 -18.275 0.855 -7.364 1.00 9.87 C ATOM 1182 CG2 VAL A 125 -16.966 -0.196 -9.228 1.00 8.42 C ATOM 1183 H VAL A 125 -18.402 -2.699 -9.393 1.00 0.00 H ATOM 1184 N ALA A 126 -20.418 -2.019 -6.780 1.00 10.05 N ATOM 1185 CA ALA A 126 -21.523 -2.064 -5.822 1.00 9.99 C ATOM 1186 C ALA A 126 -21.332 -3.121 -4.726 1.00 11.89 C ATOM 1187 O ALA A 126 -21.599 -2.862 -3.551 1.00 14.36 O ATOM 1188 CB ALA A 126 -22.854 -2.291 -6.546 1.00 13.01 C ATOM 1189 H ALA A 126 -20.607 -2.232 -7.780 1.00 0.00 H ATOM 1190 N ARG A 127 -20.880 -4.312 -5.117 1.00 11.60 N ATOM 1191 CA ARG A 127 -20.791 -5.450 -4.200 1.00 13.18 C ATOM 1192 C ARG A 127 -19.503 -5.508 -3.397 1.00 13.36 C ATOM 1193 O ARG A 127 -19.488 -6.011 -2.274 1.00 14.92 O ATOM 1194 CB ARG A 127 -20.889 -6.755 -4.984 1.00 18.67 C ATOM 1195 CG ARG A 127 -22.210 -6.971 -5.647 1.00 24.06 C ATOM 1196 CD ARG A 127 -22.152 -8.115 -6.630 1.00 36.32 C ATOM 1197 NE ARG A 127 -23.450 -8.292 -7.269 1.00 44.53 N ATOM 1198 CZ ARG A 127 -23.674 -9.080 -8.314 1.00 40.15 C ATOM 1199 NH1 ARG A 127 -22.683 -9.776 -8.855 1.00 37.19 N ATOM 1200 NH2 ARG A 127 -24.894 -9.167 -8.820 1.00 40.27 N ATOM 1201 HE ARG A 127 -24.257 -7.764 -6.879 1.00 0.00 H ATOM 1202 HH12 ARG A 127 -22.866 -10.391 -9.673 1.00 0.00 H ATOM 1203 HH11 ARG A 127 -21.723 -9.707 -8.461 1.00 0.00 H ATOM 1204 HH22 ARG A 127 -25.075 -9.783 -9.638 1.00 0.00 H ATOM 1205 HH21 ARG A 127 -25.672 -8.620 -8.399 1.00 0.00 H ATOM 1206 H ARG A 127 -20.581 -4.437 -6.105 1.00 0.00 H ATOM 1207 N VAL A 128 -18.413 -5.039 -3.993 1.00 13.26 N ATOM 1208 CA VAL A 128 -17.098 -5.234 -3.402 1.00 12.45 C ATOM 1209 C VAL A 128 -16.579 -3.978 -2.716 1.00 11.20 C ATOM 1210 O VAL A 128 -16.228 -3.997 -1.537 1.00 10.97 O ATOM 1211 CB VAL A 128 -16.075 -5.713 -4.457 1.00 16.46 C ATOM 1212 CG1 VAL A 128 -14.679 -5.839 -3.847 1.00 19.96 C ATOM 1213 CG2 VAL A 128 -16.528 -7.036 -5.069 1.00 20.19 C ATOM 1214 H VAL A 128 -18.500 -4.526 -4.893 1.00 0.00 H ATOM 1215 N GLY A 129 -16.534 -2.883 -3.457 1.00 13.01 N ATOM 1216 CA GLY A 129 -15.847 -1.698 -2.983 1.00 12.59 C ATOM 1217 C GLY A 129 -15.104 -1.089 -4.152 1.00 8.63 C ATOM 1218 O GLY A 129 -15.356 -1.463 -5.299 1.00 9.51 O ATOM 1219 H GLY A 129 -16.996 -2.872 -4.389 1.00 0.00 H ATOM 1220 N PRO A 130 -14.195 -0.139 -3.879 1.00 8.78 N ATOM 1221 CA PRO A 130 -13.400 0.453 -4.959 1.00 7.43 C ATOM 1222 C PRO A 130 -12.672 -0.602 -5.794 1.00 6.87 C ATOM 1223 O PRO A 130 -12.112 -1.549 -5.245 1.00 8.61 O ATOM 1224 CB PRO A 130 -12.406 1.339 -4.205 1.00 8.98 C ATOM 1225 CG PRO A 130 -13.193 1.776 -2.990 1.00 10.05 C ATOM 1226 CD PRO A 130 -13.956 0.536 -2.589 1.00 10.52 C ATOM 1227 N VAL A 131 -12.692 -0.426 -7.112 1.00 7.17 N ATOM 1228 CA VAL A 131 -12.099 -1.372 -8.042 1.00 7.96 C ATOM 1229 C VAL A 131 -10.953 -0.708 -8.823 1.00 7.11 C ATOM 1230 O VAL A 131 -11.084 0.433 -9.258 1.00 6.88 O ATOM 1231 CB VAL A 131 -13.178 -1.924 -9.006 1.00 7.75 C ATOM 1232 CG1 VAL A 131 -12.546 -2.770 -10.119 1.00 9.34 C ATOM 1233 CG2 VAL A 131 -14.243 -2.728 -8.235 1.00 7.78 C ATOM 1234 H VAL A 131 -13.152 0.425 -7.493 1.00 0.00 H ATOM 1235 N SER A 132 -9.833 -1.411 -8.993 1.00 4.85 N ATOM 1236 CA SER A 132 -8.718 -0.889 -9.789 1.00 5.20 C ATOM 1237 C SER A 132 -9.077 -0.943 -11.264 1.00 5.16 C ATOM 1238 O SER A 132 -9.551 -1.973 -11.759 1.00 7.41 O ATOM 1239 CB SER A 132 -7.455 -1.716 -9.564 1.00 6.22 C ATOM 1240 OG SER A 132 -6.972 -1.588 -8.238 1.00 6.32 O ATOM 1241 HG SER A 132 -6.759 -0.638 -8.056 1.00 0.00 H ATOM 1242 H SER A 132 -9.749 -2.349 -8.552 1.00 0.00 H ATOM 1243 N VAL A 133 -8.868 0.161 -11.976 1.00 4.97 N ATOM 1244 CA VAL A 133 -9.158 0.182 -13.409 1.00 5.88 C ATOM 1245 C VAL A 133 -8.022 0.827 -14.202 1.00 6.76 C ATOM 1246 O VAL A 133 -7.253 1.634 -13.671 1.00 5.95 O ATOM 1247 CB VAL A 133 -10.505 0.903 -13.733 1.00 6.90 C ATOM 1248 CG1 VAL A 133 -11.683 0.214 -13.031 1.00 7.20 C ATOM 1249 CG2 VAL A 133 -10.445 2.377 -13.356 1.00 8.25 C ATOM 1250 H VAL A 133 -8.496 1.014 -11.511 1.00 0.00 H ATOM 1251 N ALA A 134 -7.925 0.447 -15.471 1.00 5.79 N ATOM 1252 CA ALA A 134 -6.949 1.004 -16.399 1.00 6.18 C ATOM 1253 C ALA A 134 -7.655 1.833 -17.464 1.00 7.09 C ATOM 1254 O ALA A 134 -8.722 1.449 -17.956 1.00 7.10 O ATOM 1255 CB ALA A 134 -6.155 -0.103 -17.051 1.00 9.39 C ATOM 1256 H ALA A 134 -8.578 -0.284 -15.820 1.00 0.00 H ATOM 1257 N ILE A 135 -7.050 2.960 -17.834 1.00 7.19 N ATOM 1258 CA ILE A 135 -7.632 3.845 -18.828 1.00 6.11 C ATOM 1259 C ILE A 135 -6.557 4.410 -19.741 1.00 9.04 C ATOM 1260 O ILE A 135 -5.368 4.334 -19.438 1.00 6.58 O ATOM 1261 CB ILE A 135 -8.365 5.052 -18.180 1.00 7.77 C ATOM 1262 CG1 ILE A 135 -7.421 5.829 -17.252 1.00 7.51 C ATOM 1263 CG2 ILE A 135 -9.628 4.609 -17.452 1.00 7.87 C ATOM 1264 CD1 ILE A 135 -8.011 7.142 -16.766 1.00 7.87 C ATOM 1265 H ILE A 135 -6.139 3.213 -17.401 1.00 0.00 H ATOM 1266 N ASP A 136 -6.987 4.966 -20.871 1.00 6.74 N ATOM 1267 CA ASP A 136 -6.152 5.863 -21.655 1.00 6.48 C ATOM 1268 C ASP A 136 -6.284 7.246 -21.037 1.00 8.13 C ATOM 1269 O ASP A 136 -7.337 7.883 -21.159 1.00 8.38 O ATOM 1270 CB ASP A 136 -6.634 5.900 -23.110 1.00 5.92 C ATOM 1271 CG ASP A 136 -5.864 6.898 -23.962 1.00 8.54 C ATOM 1272 OD1 ASP A 136 -4.818 7.425 -23.513 1.00 7.30 O ATOM 1273 OD2 ASP A 136 -6.305 7.151 -25.101 1.00 10.58 O ATOM 1274 H ASP A 136 -7.949 4.753 -21.204 1.00 0.00 H ATOM 1275 N ALA A 137 -5.224 7.698 -20.369 1.00 5.99 N ATOM 1276 CA ALA A 137 -5.214 9.005 -19.714 1.00 6.41 C ATOM 1277 C ALA A 137 -4.231 9.941 -20.403 1.00 9.47 C ATOM 1278 O ALA A 137 -3.768 10.907 -19.803 1.00 11.04 O ATOM 1279 CB ALA A 137 -4.846 8.852 -18.244 1.00 7.67 C ATOM 1280 H ALA A 137 -4.375 7.101 -20.311 1.00 0.00 H ATOM 1281 N SER A 138 -3.924 9.657 -21.665 1.00 8.16 N ATOM 1282 CA SER A 138 -2.884 10.383 -22.393 1.00 8.25 C ATOM 1283 C SER A 138 -3.324 11.719 -22.997 1.00 9.20 C ATOM 1284 O SER A 138 -2.482 12.513 -23.406 1.00 11.37 O ATOM 1285 CB SER A 138 -2.319 9.509 -23.515 1.00 10.66 C ATOM 1286 OG SER A 138 -3.286 9.330 -24.542 1.00 13.52 O ATOM 1287 HG SER A 138 -4.089 8.891 -24.165 1.00 0.00 H ATOM 1288 H SER A 138 -4.440 8.895 -22.150 1.00 0.00 H ATOM 1289 N LEU A 139 -4.628 11.969 -23.067 1.00 7.50 N ATOM 1290 CA LEU A 139 -5.127 13.124 -23.810 1.00 8.49 C ATOM 1291 C LEU A 139 -5.048 14.413 -22.998 1.00 9.50 C ATOM 1292 O LEU A 139 -5.220 14.401 -21.780 1.00 9.29 O ATOM 1293 CB LEU A 139 -6.565 12.881 -24.270 1.00 10.15 C ATOM 1294 CG LEU A 139 -6.763 11.681 -25.202 1.00 10.34 C ATOM 1295 CD1 LEU A 139 -8.247 11.450 -25.491 1.00 12.51 C ATOM 1296 CD2 LEU A 139 -6.003 11.889 -26.494 1.00 10.61 C ATOM 1297 H LEU A 139 -5.300 11.336 -22.588 1.00 0.00 H ATOM 1298 N THR A 140 -4.792 15.528 -23.674 1.00 7.43 N ATOM 1299 CA THR A 140 -4.795 16.821 -23.006 1.00 8.24 C ATOM 1300 C THR A 140 -6.138 17.101 -22.322 1.00 9.49 C ATOM 1301 O THR A 140 -6.186 17.708 -21.246 1.00 8.92 O ATOM 1302 CB THR A 140 -4.443 17.939 -23.999 1.00 7.69 C ATOM 1303 OG1 THR A 140 -3.161 17.657 -24.568 1.00 9.34 O ATOM 1304 CG2 THR A 140 -4.397 19.295 -23.316 1.00 10.00 C ATOM 1305 HG1 THR A 140 -2.483 17.619 -23.848 1.00 0.00 H ATOM 1306 H THR A 140 -4.587 15.476 -24.692 1.00 0.00 H ATOM 1307 N SER A 141 -7.231 16.650 -22.930 1.00 8.58 N ATOM 1308 CA SER A 141 -8.542 16.816 -22.311 1.00 9.27 C ATOM 1309 C SER A 141 -8.600 16.205 -20.910 1.00 9.71 C ATOM 1310 O SER A 141 -9.224 16.771 -20.008 1.00 10.09 O ATOM 1311 CB SER A 141 -9.633 16.222 -23.203 1.00 9.82 C ATOM 1312 OG SER A 141 -9.405 14.844 -23.430 1.00 9.95 O ATOM 1313 HG SER A 141 -10.123 14.483 -24.009 1.00 0.00 H ATOM 1314 H SER A 141 -7.151 16.176 -23.852 1.00 0.00 H ATOM 1315 N PHE A 142 -7.936 15.066 -20.723 1.00 8.53 N ATOM 1316 CA PHE A 142 -7.879 14.427 -19.418 1.00 9.45 C ATOM 1317 C PHE A 142 -7.010 15.258 -18.472 1.00 7.33 C ATOM 1318 O PHE A 142 -7.381 15.504 -17.321 1.00 9.58 O ATOM 1319 CB PHE A 142 -7.341 13.003 -19.552 1.00 8.11 C ATOM 1320 CG PHE A 142 -7.378 12.218 -18.272 1.00 7.71 C ATOM 1321 CD1 PHE A 142 -6.306 12.249 -17.388 1.00 8.40 C ATOM 1322 CD2 PHE A 142 -8.477 11.431 -17.964 1.00 10.47 C ATOM 1323 CE1 PHE A 142 -6.343 11.535 -16.200 1.00 7.95 C ATOM 1324 CE2 PHE A 142 -8.517 10.707 -16.786 1.00 9.86 C ATOM 1325 CZ PHE A 142 -7.450 10.757 -15.904 1.00 9.75 C ATOM 1326 H PHE A 142 -7.448 14.624 -21.528 1.00 0.00 H ATOM 1327 N GLN A 143 -5.851 15.692 -18.954 1.00 8.74 N ATOM 1328 CA GLN A 143 -4.976 16.545 -18.161 1.00 8.86 C ATOM 1329 C GLN A 143 -5.707 17.778 -17.637 1.00 10.82 C ATOM 1330 O GLN A 143 -5.540 18.160 -16.479 1.00 12.95 O ATOM 1331 CB GLN A 143 -3.781 16.999 -18.995 1.00 11.82 C ATOM 1332 CG GLN A 143 -2.848 17.956 -18.248 1.00 18.35 C ATOM 1333 CD GLN A 143 -1.903 18.694 -19.170 1.00 20.37 C ATOM 1334 OE1 GLN A 143 -1.995 18.577 -20.388 1.00 20.33 O ATOM 1335 NE2 GLN A 143 -0.994 19.470 -18.593 1.00 29.28 N ATOM 1336 HE22 GLN A 143 -0.952 19.539 -17.556 1.00 0.00 H ATOM 1337 HE21 GLN A 143 -0.324 20.009 -19.178 1.00 0.00 H ATOM 1338 H GLN A 143 -5.563 15.418 -19.915 1.00 0.00 H ATOM 1339 N PHE A 144 -6.521 18.391 -18.493 1.00 9.73 N ATOM 1340 CA PHE A 144 -7.202 19.635 -18.157 1.00 13.11 C ATOM 1341 C PHE A 144 -8.613 19.466 -17.595 1.00 13.65 C ATOM 1342 O PHE A 144 -9.350 20.446 -17.480 1.00 17.52 O ATOM 1343 CB PHE A 144 -7.220 20.574 -19.368 1.00 10.45 C ATOM 1344 CG PHE A 144 -5.989 21.428 -19.482 1.00 12.03 C ATOM 1345 CD1 PHE A 144 -4.803 20.895 -19.961 1.00 18.05 C ATOM 1346 CD2 PHE A 144 -6.019 22.765 -19.103 1.00 15.18 C ATOM 1347 CE1 PHE A 144 -3.667 21.674 -20.058 1.00 16.50 C ATOM 1348 CE2 PHE A 144 -4.885 23.552 -19.196 1.00 16.57 C ATOM 1349 CZ PHE A 144 -3.708 23.004 -19.676 1.00 16.94 C ATOM 1350 H PHE A 144 -6.676 17.969 -19.431 1.00 0.00 H ATOM 1351 N TYR A 145 -8.988 18.243 -17.225 1.00 10.99 N ATOM 1352 CA TYR A 145 -10.321 18.032 -16.668 1.00 11.20 C ATOM 1353 C TYR A 145 -10.586 18.896 -15.438 1.00 13.75 C ATOM 1354 O TYR A 145 -9.737 19.005 -14.547 1.00 14.24 O ATOM 1355 CB TYR A 145 -10.541 16.573 -16.290 1.00 11.76 C ATOM 1356 CG TYR A 145 -11.831 16.374 -15.536 1.00 10.68 C ATOM 1357 CD1 TYR A 145 -13.035 16.228 -16.216 1.00 12.71 C ATOM 1358 CD2 TYR A 145 -11.857 16.352 -14.142 1.00 14.08 C ATOM 1359 CE1 TYR A 145 -14.228 16.051 -15.532 1.00 11.96 C ATOM 1360 CE2 TYR A 145 -13.042 16.183 -13.451 1.00 13.37 C ATOM 1361 CZ TYR A 145 -14.226 16.031 -14.148 1.00 11.35 C ATOM 1362 OH TYR A 145 -15.409 15.861 -13.456 1.00 16.02 O ATOM 1363 HH TYR A 145 -16.156 15.768 -14.099 1.00 0.00 H ATOM 1364 H TYR A 145 -8.334 17.441 -17.332 1.00 0.00 H ATOM 1365 N SER A 146 -11.776 19.484 -15.376 1.00 15.70 N ATOM 1366 CA SER A 146 -12.152 20.269 -14.209 1.00 18.26 C ATOM 1367 C SER A 146 -13.523 19.890 -13.655 1.00 24.34 C ATOM 1368 O SER A 146 -13.652 19.620 -12.461 1.00 35.90 O ATOM 1369 CB SER A 146 -12.071 21.770 -14.511 1.00 22.18 C ATOM 1370 OG SER A 146 -12.908 22.129 -15.597 1.00 28.76 O ATOM 1371 HG SER A 146 -12.629 21.631 -16.406 1.00 0.00 H ATOM 1372 H SER A 146 -12.444 19.383 -16.167 1.00 0.00 H ATOM 1373 N LYS A 147 -14.540 19.868 -14.516 1.00 22.89 N ATOM 1374 CA LYS A 147 -15.910 19.577 -14.085 1.00 19.85 C ATOM 1375 C LYS A 147 -16.679 18.755 -15.111 1.00 17.52 C ATOM 1376 O LYS A 147 -16.223 18.551 -16.238 1.00 20.32 O ATOM 1377 CB LYS A 147 -16.696 20.870 -13.825 1.00 25.93 C ATOM 1378 CG LYS A 147 -16.006 21.878 -12.931 1.00 38.88 C ATOM 1379 CD LYS A 147 -15.909 21.415 -11.485 1.00 41.59 C ATOM 1380 CE LYS A 147 -14.793 22.170 -10.783 1.00 45.75 C ATOM 1381 NZ LYS A 147 -14.710 23.580 -11.272 1.00 46.52 N ATOM 1382 HZ1 LYS A 147 -14.522 23.580 -12.295 1.00 0.00 H ATOM 1383 HZ2 LYS A 147 -15.611 24.064 -11.084 1.00 0.00 H ATOM 1384 HZ3 LYS A 147 -13.940 24.073 -10.776 1.00 0.00 H ATOM 1385 H LYS A 147 -14.356 20.063 -15.521 1.00 0.00 H ATOM 1386 N GLY A 148 -17.863 18.305 -14.713 1.00 16.66 N ATOM 1387 CA GLY A 148 -18.740 17.573 -15.604 1.00 13.78 C ATOM 1388 C GLY A 148 -18.314 16.130 -15.766 1.00 12.35 C ATOM 1389 O GLY A 148 -17.464 15.616 -15.023 1.00 15.31 O ATOM 1390 H GLY A 148 -18.169 18.483 -13.735 1.00 0.00 H ATOM 1391 N VAL A 149 -18.926 15.458 -16.732 1.00 14.89 N ATOM 1392 CA VAL A 149 -18.598 14.070 -17.006 1.00 13.57 C ATOM 1393 C VAL A 149 -17.671 14.004 -18.213 1.00 11.88 C ATOM 1394 O VAL A 149 -18.024 14.436 -19.314 1.00 14.50 O ATOM 1395 CB VAL A 149 -19.866 13.215 -17.221 1.00 15.45 C ATOM 1396 CG1 VAL A 149 -19.480 11.796 -17.567 1.00 15.48 C ATOM 1397 CG2 VAL A 149 -20.729 13.226 -15.967 1.00 17.06 C ATOM 1398 H VAL A 149 -19.654 15.933 -17.303 1.00 0.00 H ATOM 1399 N TYR A 150 -16.473 13.478 -17.995 1.00 11.14 N ATOM 1400 CA TYR A 150 -15.435 13.453 -19.017 1.00 9.28 C ATOM 1401 C TYR A 150 -15.714 12.468 -20.143 1.00 9.01 C ATOM 1402 O TYR A 150 -15.948 11.271 -19.912 1.00 9.63 O ATOM 1403 CB TYR A 150 -14.077 13.134 -18.386 1.00 12.23 C ATOM 1404 CG TYR A 150 -12.949 12.973 -19.380 1.00 9.52 C ATOM 1405 CD1 TYR A 150 -12.339 14.081 -19.955 1.00 9.87 C ATOM 1406 CD2 TYR A 150 -12.487 11.714 -19.733 1.00 8.95 C ATOM 1407 CE1 TYR A 150 -11.299 13.945 -20.865 1.00 9.30 C ATOM 1408 CE2 TYR A 150 -11.441 11.562 -20.639 1.00 8.99 C ATOM 1409 CZ TYR A 150 -10.852 12.686 -21.205 1.00 7.92 C ATOM 1410 OH TYR A 150 -9.818 12.548 -22.108 1.00 9.27 O ATOM 1411 HH TYR A 150 -9.521 13.444 -22.407 1.00 0.00 H ATOM 1412 H TYR A 150 -16.267 13.069 -17.061 1.00 0.00 H ATOM 1413 N TYR A 151 -15.669 12.985 -21.365 1.00 11.60 N ATOM 1414 CA TYR A 151 -15.732 12.152 -22.551 1.00 10.88 C ATOM 1415 C TYR A 151 -14.965 12.793 -23.693 1.00 11.01 C ATOM 1416 O TYR A 151 -15.145 13.975 -23.996 1.00 15.59 O ATOM 1417 CB TYR A 151 -17.177 11.882 -22.980 1.00 11.61 C ATOM 1418 CG TYR A 151 -17.227 10.971 -24.177 1.00 15.29 C ATOM 1419 CD1 TYR A 151 -17.063 9.600 -24.030 1.00 20.83 C ATOM 1420 CD2 TYR A 151 -17.390 11.480 -25.457 1.00 19.69 C ATOM 1421 CE1 TYR A 151 -17.091 8.760 -25.116 1.00 22.88 C ATOM 1422 CE2 TYR A 151 -17.416 10.648 -26.553 1.00 24.05 C ATOM 1423 CZ TYR A 151 -17.262 9.289 -26.377 1.00 23.30 C ATOM 1424 OH TYR A 151 -17.288 8.449 -27.466 1.00 32.53 O ATOM 1425 HH TYR A 151 -17.164 7.515 -27.164 1.00 0.00 H ATOM 1426 H TYR A 151 -15.586 14.016 -21.475 1.00 0.00 H ATOM 1427 N ASP A 152 -14.099 12.000 -24.317 1.00 9.46 N ATOM 1428 CA ASP A 152 -13.334 12.449 -25.470 1.00 8.58 C ATOM 1429 C ASP A 152 -13.359 11.329 -26.501 1.00 9.70 C ATOM 1430 O ASP A 152 -12.881 10.227 -26.223 1.00 10.45 O ATOM 1431 CB ASP A 152 -11.892 12.751 -25.045 1.00 8.49 C ATOM 1432 CG ASP A 152 -11.089 13.442 -26.131 1.00 10.40 C ATOM 1433 OD1 ASP A 152 -11.300 13.165 -27.332 1.00 10.78 O ATOM 1434 OD2 ASP A 152 -10.217 14.261 -25.777 1.00 12.01 O ATOM 1435 H ASP A 152 -13.964 11.029 -23.970 1.00 0.00 H ATOM 1436 N GLU A 153 -13.899 11.606 -27.691 1.00 11.95 N ATOM 1437 CA GLU A 153 -14.010 10.585 -28.740 1.00 11.43 C ATOM 1438 C GLU A 153 -12.642 10.030 -29.171 1.00 11.11 C ATOM 1439 O GLU A 153 -12.563 8.952 -29.765 1.00 14.76 O ATOM 1440 CB GLU A 153 -14.755 11.142 -29.962 1.00 17.83 C ATOM 1441 CG GLU A 153 -15.055 10.110 -31.062 1.00 25.82 C ATOM 1442 CD GLU A 153 -15.672 10.725 -32.314 1.00 32.82 C ATOM 1443 OE1 GLU A 153 -16.284 11.811 -32.208 1.00 32.85 O ATOM 1444 OE2 GLU A 153 -15.538 10.122 -33.407 1.00 22.54 O ATOM 1445 H GLU A 153 -14.249 12.567 -27.879 1.00 0.00 H ATOM 1446 N SER A 154 -11.565 10.756 -28.877 1.00 9.99 N ATOM 1447 CA SER A 154 -10.233 10.297 -29.248 1.00 10.36 C ATOM 1448 C SER A 154 -9.623 9.340 -28.237 1.00 9.90 C ATOM 1449 O SER A 154 -8.528 8.822 -28.454 1.00 9.95 O ATOM 1450 CB SER A 154 -9.299 11.487 -29.433 1.00 12.47 C ATOM 1451 OG SER A 154 -9.599 12.150 -30.639 1.00 16.74 O ATOM 1452 HG SER A 154 -8.988 12.921 -30.751 1.00 0.00 H ATOM 1453 H SER A 154 -11.676 11.661 -28.377 1.00 0.00 H ATOM 1454 N CYS A 155 -10.309 9.112 -27.126 1.00 8.52 N ATOM 1455 CA CYS A 155 -9.791 8.174 -26.149 1.00 9.21 C ATOM 1456 C CYS A 155 -9.707 6.800 -26.792 1.00 9.03 C ATOM 1457 O CYS A 155 -10.635 6.368 -27.480 1.00 10.72 O ATOM 1458 CB CYS A 155 -10.655 8.150 -24.894 1.00 9.09 C ATOM 1459 SG CYS A 155 -9.657 8.097 -23.396 1.00 10.05 S ATOM 1460 H CYS A 155 -11.211 9.602 -26.956 1.00 0.00 H ATOM 1461 N ASN A 156 -8.580 6.125 -26.596 1.00 9.29 N ATOM 1462 CA ASN A 156 -8.314 4.877 -27.304 1.00 6.73 C ATOM 1463 C ASN A 156 -8.051 3.716 -26.337 1.00 7.58 C ATOM 1464 O ASN A 156 -7.061 3.717 -25.598 1.00 10.44 O ATOM 1465 CB ASN A 156 -7.141 5.067 -28.277 1.00 10.30 C ATOM 1466 CG ASN A 156 -6.934 3.875 -29.199 1.00 10.55 C ATOM 1467 OD1 ASN A 156 -7.016 2.725 -28.773 1.00 12.68 O ATOM 1468 ND2 ASN A 156 -6.662 4.148 -30.474 1.00 15.04 N ATOM 1469 HD22 ASN A 156 -6.602 5.136 -30.793 1.00 0.00 H ATOM 1470 HD21 ASN A 156 -6.510 3.373 -31.151 1.00 0.00 H ATOM 1471 H ASN A 156 -7.875 6.492 -25.926 1.00 0.00 H ATOM 1472 N SER A 157 -8.940 2.727 -26.350 1.00 9.00 N ATOM 1473 CA SER A 157 -8.866 1.586 -25.434 1.00 12.56 C ATOM 1474 C SER A 157 -7.702 0.640 -25.732 1.00 15.53 C ATOM 1475 O SER A 157 -7.364 -0.209 -24.901 1.00 19.13 O ATOM 1476 CB SER A 157 -10.187 0.814 -25.438 1.00 17.03 C ATOM 1477 OG SER A 157 -10.451 0.277 -26.718 1.00 18.99 O ATOM 1478 HG SER A 157 -9.720 -0.340 -26.973 1.00 0.00 H ATOM 1479 H SER A 157 -9.719 2.765 -27.038 1.00 0.00 H ATOM 1480 N ASP A 158 -7.084 0.784 -26.902 1.00 15.06 N ATOM 1481 CA ASP A 158 -5.858 0.045 -27.208 1.00 18.29 C ATOM 1482 C ASP A 158 -4.653 0.689 -26.542 1.00 19.00 C ATOM 1483 O ASP A 158 -3.569 0.101 -26.492 1.00 23.11 O ATOM 1484 CB ASP A 158 -5.617 -0.023 -28.717 1.00 19.09 C ATOM 1485 CG ASP A 158 -6.503 -1.030 -29.408 1.00 17.48 C ATOM 1486 OD1 ASP A 158 -6.993 -1.964 -28.734 1.00 22.71 O ATOM 1487 OD2 ASP A 158 -6.704 -0.885 -30.634 1.00 22.02 O ATOM 1488 H ASP A 158 -7.479 1.433 -27.612 1.00 0.00 H ATOM 1489 N ASN A 159 -4.848 1.905 -26.042 1.00 13.47 N ATOM 1490 CA ASN A 159 -3.780 2.650 -25.396 1.00 11.55 C ATOM 1491 C ASN A 159 -4.044 2.778 -23.902 1.00 9.00 C ATOM 1492 O ASN A 159 -4.102 3.886 -23.368 1.00 13.62 O ATOM 1493 CB ASN A 159 -3.651 4.040 -26.034 1.00 13.62 C ATOM 1494 CG ASN A 159 -2.397 4.771 -25.598 1.00 18.62 C ATOM 1495 OD1 ASN A 159 -1.533 4.203 -24.931 1.00 21.57 O ATOM 1496 ND2 ASN A 159 -2.290 6.038 -25.975 1.00 23.00 N ATOM 1497 HD22 ASN A 159 -3.045 6.478 -26.539 1.00 0.00 H ATOM 1498 HD21 ASN A 159 -1.451 6.591 -25.707 1.00 0.00 H ATOM 1499 H ASN A 159 -5.792 2.336 -26.115 1.00 0.00 H ATOM 1500 N LEU A 160 -4.220 1.648 -23.224 1.00 9.28 N ATOM 1501 CA LEU A 160 -4.358 1.670 -21.775 1.00 9.58 C ATOM 1502 C LEU A 160 -2.995 1.991 -21.204 1.00 9.23 C ATOM 1503 O LEU A 160 -2.046 1.224 -21.385 1.00 12.13 O ATOM 1504 CB LEU A 160 -4.825 0.318 -21.245 1.00 11.52 C ATOM 1505 CG LEU A 160 -6.204 -0.163 -21.682 1.00 15.67 C ATOM 1506 CD1 LEU A 160 -6.525 -1.442 -20.935 1.00 18.13 C ATOM 1507 CD2 LEU A 160 -7.271 0.895 -21.428 1.00 14.56 C ATOM 1508 H LEU A 160 -4.259 0.742 -23.733 1.00 0.00 H ATOM 1509 N ASN A 161 -2.884 3.126 -20.524 1.00 7.21 N ATOM 1510 CA ASN A 161 -1.575 3.579 -20.072 1.00 5.69 C ATOM 1511 C ASN A 161 -1.524 4.085 -18.640 1.00 6.44 C ATOM 1512 O ASN A 161 -0.463 4.478 -18.163 1.00 8.32 O ATOM 1513 CB ASN A 161 -1.064 4.663 -21.017 1.00 8.46 C ATOM 1514 CG ASN A 161 -2.093 5.738 -21.265 1.00 7.23 C ATOM 1515 OD1 ASN A 161 -2.697 6.269 -20.331 1.00 7.75 O ATOM 1516 ND2 ASN A 161 -2.330 6.041 -22.536 1.00 10.41 N ATOM 1517 HD22 ASN A 161 -1.796 5.567 -23.292 1.00 0.00 H ATOM 1518 HD21 ASN A 161 -3.050 6.752 -22.775 1.00 0.00 H ATOM 1519 H ASN A 161 -3.731 3.692 -20.314 1.00 0.00 H ATOM 1520 N HIS A 162 -2.660 4.086 -17.954 1.00 5.67 N ATOM 1521 CA HIS A 162 -2.718 4.684 -16.630 1.00 6.07 C ATOM 1522 C HIS A 162 -3.693 3.923 -15.751 1.00 4.80 C ATOM 1523 O HIS A 162 -4.755 3.486 -16.210 1.00 8.14 O ATOM 1524 CB HIS A 162 -3.118 6.157 -16.757 1.00 7.20 C ATOM 1525 CG HIS A 162 -3.050 6.922 -15.471 1.00 6.82 C ATOM 1526 ND1 HIS A 162 -1.936 6.923 -14.664 1.00 11.04 N ATOM 1527 CD2 HIS A 162 -3.967 7.706 -14.854 1.00 7.04 C ATOM 1528 CE1 HIS A 162 -2.167 7.672 -13.599 1.00 10.30 C ATOM 1529 NE2 HIS A 162 -3.388 8.159 -13.692 1.00 7.94 N ATOM 1530 H HIS A 162 -3.513 3.657 -18.366 1.00 0.00 H ATOM 1531 N ALA A 163 -3.304 3.751 -14.489 1.00 5.59 N ATOM 1532 CA ALA A 163 -4.097 3.000 -13.514 1.00 6.13 C ATOM 1533 C ALA A 163 -4.694 3.976 -12.525 1.00 4.70 C ATOM 1534 O ALA A 163 -3.974 4.836 -12.007 1.00 6.62 O ATOM 1535 CB ALA A 163 -3.213 2.024 -12.776 1.00 7.15 C ATOM 1536 H ALA A 163 -2.401 4.167 -14.184 1.00 0.00 H ATOM 1537 N VAL A 164 -5.993 3.826 -12.264 1.00 5.20 N ATOM 1538 CA VAL A 164 -6.722 4.679 -11.329 1.00 4.52 C ATOM 1539 C VAL A 164 -7.673 3.801 -10.511 1.00 5.61 C ATOM 1540 O VAL A 164 -7.604 2.570 -10.589 1.00 5.24 O ATOM 1541 CB VAL A 164 -7.478 5.816 -12.058 1.00 5.65 C ATOM 1542 CG1 VAL A 164 -6.496 6.827 -12.641 1.00 7.42 C ATOM 1543 CG2 VAL A 164 -8.367 5.255 -13.153 1.00 6.03 C ATOM 1544 H VAL A 164 -6.511 3.066 -12.749 1.00 0.00 H ATOM 1545 N LEU A 165 -8.559 4.421 -9.738 1.00 6.01 N ATOM 1546 CA LEU A 165 -9.423 3.676 -8.820 1.00 6.00 C ATOM 1547 C LEU A 165 -10.864 4.126 -8.983 1.00 4.50 C ATOM 1548 O LEU A 165 -11.179 5.318 -8.829 1.00 6.19 O ATOM 1549 CB LEU A 165 -8.968 3.871 -7.363 1.00 5.89 C ATOM 1550 CG LEU A 165 -9.683 3.036 -6.295 1.00 6.16 C ATOM 1551 CD1 LEU A 165 -9.289 1.569 -6.403 1.00 6.06 C ATOM 1552 CD2 LEU A 165 -9.397 3.594 -4.901 1.00 8.29 C ATOM 1553 H LEU A 165 -8.640 5.457 -9.786 1.00 0.00 H ATOM 1554 N ALA A 166 -11.743 3.179 -9.314 1.00 5.25 N ATOM 1555 CA ALA A 166 -13.166 3.477 -9.402 1.00 6.39 C ATOM 1556 C ALA A 166 -13.754 3.347 -8.005 1.00 6.67 C ATOM 1557 O ALA A 166 -13.857 2.235 -7.485 1.00 7.36 O ATOM 1558 CB ALA A 166 -13.852 2.522 -10.364 1.00 7.42 C ATOM 1559 H ALA A 166 -11.408 2.215 -9.512 1.00 0.00 H ATOM 1560 N VAL A 167 -14.129 4.475 -7.399 1.00 7.07 N ATOM 1561 CA VAL A 167 -14.676 4.478 -6.036 1.00 6.28 C ATOM 1562 C VAL A 167 -16.187 4.608 -5.989 1.00 5.74 C ATOM 1563 O VAL A 167 -16.777 4.698 -4.920 1.00 7.55 O ATOM 1564 CB VAL A 167 -14.054 5.593 -5.161 1.00 7.13 C ATOM 1565 CG1 VAL A 167 -12.533 5.447 -5.095 1.00 7.83 C ATOM 1566 CG2 VAL A 167 -14.467 6.988 -5.670 1.00 9.26 C ATOM 1567 H VAL A 167 -14.031 5.378 -7.906 1.00 0.00 H ATOM 1568 N GLY A 168 -16.813 4.647 -7.154 1.00 6.84 N ATOM 1569 CA GLY A 168 -18.248 4.780 -7.208 1.00 7.36 C ATOM 1570 C GLY A 168 -18.709 5.050 -8.611 1.00 6.55 C ATOM 1571 O GLY A 168 -17.937 4.966 -9.571 1.00 8.46 O ATOM 1572 H GLY A 168 -16.267 4.581 -8.037 1.00 0.00 H ATOM 1573 N TYR A 169 -19.998 5.339 -8.723 1.00 8.34 N ATOM 1574 CA TYR A 169 -20.617 5.639 -9.999 1.00 11.17 C ATOM 1575 C TYR A 169 -21.938 6.326 -9.729 1.00 9.36 C ATOM 1576 O TYR A 169 -22.466 6.285 -8.615 1.00 10.68 O ATOM 1577 CB TYR A 169 -20.843 4.359 -10.815 1.00 10.05 C ATOM 1578 CG TYR A 169 -21.750 3.332 -10.152 1.00 9.60 C ATOM 1579 CD1 TYR A 169 -23.141 3.441 -10.227 1.00 9.34 C ATOM 1580 CD2 TYR A 169 -21.217 2.245 -9.470 1.00 9.23 C ATOM 1581 CE1 TYR A 169 -23.973 2.510 -9.614 1.00 11.38 C ATOM 1582 CE2 TYR A 169 -22.039 1.305 -8.868 1.00 10.07 C ATOM 1583 CZ TYR A 169 -23.418 1.444 -8.944 1.00 10.07 C ATOM 1584 OH TYR A 169 -24.229 0.507 -8.349 1.00 12.11 O ATOM 1585 HH TYR A 169 -25.177 0.752 -8.495 1.00 0.00 H ATOM 1586 H TYR A 169 -20.586 5.351 -7.865 1.00 0.00 H ATOM 1587 N GLY A 170 -22.484 6.951 -10.753 1.00 10.53 N ATOM 1588 CA GLY A 170 -23.771 7.591 -10.600 1.00 11.36 C ATOM 1589 C GLY A 170 -24.154 8.319 -11.856 1.00 11.43 C ATOM 1590 O GLY A 170 -23.839 7.894 -12.972 1.00 14.26 O ATOM 1591 H GLY A 170 -21.991 6.984 -11.668 1.00 0.00 H ATOM 1592 N ILE A 171 -24.850 9.429 -11.668 1.00 16.64 N ATOM 1593 CA ILE A 171 -25.348 10.194 -12.789 1.00 19.64 C ATOM 1594 C ILE A 171 -25.315 11.666 -12.425 1.00 22.84 C ATOM 1595 O ILE A 171 -25.615 12.055 -11.291 1.00 27.71 O ATOM 1596 CB ILE A 171 -26.775 9.737 -13.194 1.00 20.01 C ATOM 1597 CG1 ILE A 171 -27.152 10.282 -14.571 1.00 17.62 C ATOM 1598 CG2 ILE A 171 -27.809 10.126 -12.141 1.00 22.78 C ATOM 1599 CD1 ILE A 171 -28.408 9.674 -15.136 1.00 25.69 C ATOM 1600 H ILE A 171 -25.041 9.756 -10.699 1.00 0.00 H ATOM 1601 N GLN A 172 -24.916 12.484 -13.384 1.00 19.77 N ATOM 1602 CA GLN A 172 -24.909 13.922 -13.181 1.00 20.62 C ATOM 1603 C GLN A 172 -25.606 14.597 -14.349 1.00 24.38 C ATOM 1604 O GLN A 172 -25.113 14.549 -15.480 1.00 23.19 O ATOM 1605 CB GLN A 172 -23.476 14.429 -13.063 1.00 20.80 C ATOM 1606 CG GLN A 172 -23.377 15.894 -12.687 1.00 27.70 C ATOM 1607 CD GLN A 172 -22.000 16.454 -12.948 1.00 25.46 C ATOM 1608 OE1 GLN A 172 -21.570 16.552 -14.096 1.00 30.61 O ATOM 1609 NE2 GLN A 172 -21.292 16.812 -11.886 1.00 24.67 N ATOM 1610 HE22 GLN A 172 -21.697 16.711 -10.933 1.00 0.00 H ATOM 1611 HE21 GLN A 172 -20.332 17.194 -12.006 1.00 0.00 H ATOM 1612 H GLN A 172 -24.603 12.093 -14.295 1.00 0.00 H ATOM 1613 N LYS A 173 -26.754 15.214 -14.069 1.00 25.86 N ATOM 1614 CA LYS A 173 -27.526 15.929 -15.078 1.00 27.54 C ATOM 1615 C LYS A 173 -27.821 15.046 -16.286 1.00 25.75 C ATOM 1616 O LYS A 173 -27.737 15.490 -17.432 1.00 30.83 O ATOM 1617 CB LYS A 173 -26.804 17.213 -15.489 1.00 31.15 C ATOM 1618 CG LYS A 173 -26.670 18.216 -14.350 1.00 36.58 C ATOM 1619 CD LYS A 173 -28.026 18.815 -14.001 1.00 45.76 C ATOM 1620 CE LYS A 173 -28.082 19.319 -12.566 1.00 51.97 C ATOM 1621 NZ LYS A 173 -29.248 20.228 -12.356 1.00 49.14 N ATOM 1622 HZ1 LYS A 173 -29.167 21.047 -12.992 1.00 0.00 H ATOM 1623 HZ2 LYS A 173 -30.128 19.714 -12.562 1.00 0.00 H ATOM 1624 HZ3 LYS A 173 -29.258 20.554 -11.369 1.00 0.00 H ATOM 1625 H LYS A 173 -27.113 15.184 -13.093 1.00 0.00 H ATOM 1626 N GLY A 174 -28.152 13.787 -16.014 1.00 23.92 N ATOM 1627 CA GLY A 174 -28.506 12.846 -17.061 1.00 26.16 C ATOM 1628 C GLY A 174 -27.319 12.111 -17.652 1.00 25.36 C ATOM 1629 O GLY A 174 -27.490 11.197 -18.463 1.00 26.42 O ATOM 1630 H GLY A 174 -28.157 13.468 -15.024 1.00 0.00 H ATOM 1631 N ASN A 175 -26.115 12.500 -17.248 1.00 20.99 N ATOM 1632 CA ASN A 175 -24.908 11.860 -17.760 1.00 16.53 C ATOM 1633 C ASN A 175 -24.347 10.842 -16.775 1.00 12.25 C ATOM 1634 O ASN A 175 -23.881 11.208 -15.696 1.00 19.28 O ATOM 1635 CB ASN A 175 -23.851 12.907 -18.105 1.00 19.47 C ATOM 1636 CG ASN A 175 -24.326 13.872 -19.168 1.00 28.29 C ATOM 1637 OD1 ASN A 175 -24.307 15.089 -18.976 1.00 35.66 O ATOM 1638 ND2 ASN A 175 -24.771 13.331 -20.295 1.00 26.87 N ATOM 1639 HD22 ASN A 175 -24.768 12.298 -20.412 1.00 0.00 H ATOM 1640 HD21 ASN A 175 -25.123 13.940 -21.061 1.00 0.00 H ATOM 1641 H ASN A 175 -26.031 13.272 -16.556 1.00 0.00 H ATOM 1642 N LYS A 176 -24.408 9.564 -17.143 1.00 14.64 N ATOM 1643 CA LYS A 176 -23.889 8.500 -16.284 1.00 12.61 C ATOM 1644 C LYS A 176 -22.369 8.527 -16.218 1.00 10.80 C ATOM 1645 O LYS A 176 -21.679 8.783 -17.214 1.00 13.98 O ATOM 1646 CB LYS A 176 -24.376 7.136 -16.762 1.00 12.90 C ATOM 1647 CG LYS A 176 -25.883 6.972 -16.675 1.00 17.30 C ATOM 1648 CD LYS A 176 -26.296 5.572 -17.050 1.00 17.29 C ATOM 1649 CE LYS A 176 -27.811 5.410 -16.949 1.00 21.58 C ATOM 1650 NZ LYS A 176 -28.225 3.988 -17.108 1.00 26.04 N ATOM 1651 HZ1 LYS A 176 -27.920 3.641 -18.040 1.00 0.00 H ATOM 1652 HZ2 LYS A 176 -27.783 3.414 -16.362 1.00 0.00 H ATOM 1653 HZ3 LYS A 176 -29.260 3.919 -17.033 1.00 0.00 H ATOM 1654 H LYS A 176 -24.833 9.317 -18.060 1.00 0.00 H ATOM 1655 N HIS A 177 -21.841 8.258 -15.033 1.00 12.44 N ATOM 1656 CA HIS A 177 -20.408 8.380 -14.830 1.00 11.57 C ATOM 1657 C HIS A 177 -19.868 7.355 -13.854 1.00 10.79 C ATOM 1658 O HIS A 177 -20.630 6.701 -13.117 1.00 10.27 O ATOM 1659 CB HIS A 177 -20.057 9.788 -14.344 1.00 13.38 C ATOM 1660 CG HIS A 177 -20.654 10.133 -13.014 1.00 12.69 C ATOM 1661 ND1 HIS A 177 -20.241 9.546 -11.837 1.00 13.33 N ATOM 1662 CD2 HIS A 177 -21.631 11.008 -12.677 1.00 14.16 C ATOM 1663 CE1 HIS A 177 -20.943 10.041 -10.831 1.00 17.08 C ATOM 1664 NE2 HIS A 177 -21.791 10.931 -11.314 1.00 15.90 N ATOM 1665 H HIS A 177 -22.453 7.959 -14.247 1.00 0.00 H ATOM 1666 N TRP A 178 -18.539 7.233 -13.886 1.00 9.82 N ATOM 1667 CA TRP A 178 -17.744 6.525 -12.893 1.00 7.81 C ATOM 1668 C TRP A 178 -17.046 7.587 -12.068 1.00 8.38 C ATOM 1669 O TRP A 178 -16.578 8.589 -12.615 1.00 9.40 O ATOM 1670 CB TRP A 178 -16.664 5.689 -13.575 1.00 7.97 C ATOM 1671 CG TRP A 178 -17.201 4.605 -14.448 1.00 8.84 C ATOM 1672 CD1 TRP A 178 -17.226 4.580 -15.821 1.00 9.61 C ATOM 1673 CD2 TRP A 178 -17.790 3.378 -14.014 1.00 8.02 C ATOM 1674 NE1 TRP A 178 -17.798 3.409 -16.259 1.00 8.66 N ATOM 1675 CE2 TRP A 178 -18.156 2.655 -15.170 1.00 10.72 C ATOM 1676 CE3 TRP A 178 -18.043 2.818 -12.757 1.00 9.37 C ATOM 1677 CZ2 TRP A 178 -18.767 1.399 -15.104 1.00 10.92 C ATOM 1678 CZ3 TRP A 178 -18.665 1.578 -12.693 1.00 9.79 C ATOM 1679 CH2 TRP A 178 -19.020 0.884 -13.858 1.00 10.46 C ATOM 1680 HE1 TRP A 178 -17.937 3.139 -17.254 1.00 0.00 H ATOM 1681 H TRP A 178 -18.034 7.677 -14.679 1.00 0.00 H ATOM 1682 N ILE A 179 -16.954 7.371 -10.759 1.00 7.98 N ATOM 1683 CA ILE A 179 -16.214 8.282 -9.896 1.00 8.41 C ATOM 1684 C ILE A 179 -14.807 7.731 -9.739 1.00 8.23 C ATOM 1685 O ILE A 179 -14.610 6.642 -9.188 1.00 8.92 O ATOM 1686 CB ILE A 179 -16.871 8.454 -8.513 1.00 7.34 C ATOM 1687 CG1 ILE A 179 -18.342 8.856 -8.654 1.00 9.04 C ATOM 1688 CG2 ILE A 179 -16.093 9.476 -7.696 1.00 8.99 C ATOM 1689 CD1 ILE A 179 -19.109 8.859 -7.344 1.00 11.86 C ATOM 1690 H ILE A 179 -17.418 6.538 -10.344 1.00 0.00 H ATOM 1691 N ILE A 180 -13.831 8.485 -10.234 1.00 6.35 N ATOM 1692 CA ILE A 180 -12.469 7.984 -10.363 1.00 5.62 C ATOM 1693 C ILE A 180 -11.469 8.758 -9.513 1.00 6.85 C ATOM 1694 O ILE A 180 -11.325 9.976 -9.660 1.00 7.41 O ATOM 1695 CB ILE A 180 -11.999 8.063 -11.830 1.00 6.40 C ATOM 1696 CG1 ILE A 180 -12.858 7.172 -12.732 1.00 8.65 C ATOM 1697 CG2 ILE A 180 -10.515 7.720 -11.946 1.00 8.87 C ATOM 1698 CD1 ILE A 180 -12.886 5.723 -12.318 1.00 10.40 C ATOM 1699 H ILE A 180 -14.045 9.457 -10.537 1.00 0.00 H ATOM 1700 N LYS A 181 -10.768 8.044 -8.633 1.00 6.87 N ATOM 1701 CA LYS A 181 -9.689 8.624 -7.841 1.00 6.69 C ATOM 1702 C LYS A 181 -8.369 8.467 -8.591 1.00 5.80 C ATOM 1703 O LYS A 181 -7.993 7.353 -8.967 1.00 6.73 O ATOM 1704 CB LYS A 181 -9.592 7.913 -6.492 1.00 6.83 C ATOM 1705 CG LYS A 181 -8.560 8.509 -5.539 1.00 6.21 C ATOM 1706 CD LYS A 181 -8.257 7.543 -4.398 1.00 6.83 C ATOM 1707 CE LYS A 181 -7.502 8.232 -3.270 1.00 7.07 C ATOM 1708 NZ LYS A 181 -7.058 7.279 -2.219 1.00 7.68 N ATOM 1709 HZ1 LYS A 181 -7.888 6.806 -1.808 1.00 0.00 H ATOM 1710 HZ2 LYS A 181 -6.427 6.569 -2.641 1.00 0.00 H ATOM 1711 HZ3 LYS A 181 -6.549 7.798 -1.475 1.00 0.00 H ATOM 1712 H LYS A 181 -10.998 7.038 -8.506 1.00 0.00 H ATOM 1713 N ASN A 182 -7.681 9.583 -8.826 1.00 6.70 N ATOM 1714 CA ASN A 182 -6.397 9.571 -9.517 1.00 5.93 C ATOM 1715 C ASN A 182 -5.276 9.723 -8.478 1.00 4.70 C ATOM 1716 O ASN A 182 -5.557 9.875 -7.279 1.00 7.32 O ATOM 1717 CB ASN A 182 -6.385 10.706 -10.543 1.00 6.56 C ATOM 1718 CG ASN A 182 -5.319 10.544 -11.617 1.00 6.64 C ATOM 1719 OD1 ASN A 182 -4.507 9.606 -11.599 1.00 7.45 O ATOM 1720 ND2 ASN A 182 -5.308 11.483 -12.562 1.00 10.07 N ATOM 1721 HD22 ASN A 182 -6.008 12.252 -12.539 1.00 0.00 H ATOM 1722 HD21 ASN A 182 -4.600 11.447 -13.323 1.00 0.00 H ATOM 1723 H ASN A 182 -8.072 10.492 -8.506 1.00 0.00 H ATOM 1724 N SER A 183 -4.025 9.643 -8.921 1.00 6.39 N ATOM 1725 CA SER A 183 -2.868 9.804 -8.043 1.00 6.11 C ATOM 1726 C SER A 183 -1.935 10.888 -8.574 1.00 7.19 C ATOM 1727 O SER A 183 -0.712 10.732 -8.561 1.00 6.88 O ATOM 1728 CB SER A 183 -2.113 8.477 -7.895 1.00 6.22 C ATOM 1729 OG SER A 183 -1.841 7.909 -9.170 1.00 7.28 O ATOM 1730 HG SER A 183 -1.286 8.536 -9.698 1.00 0.00 H ATOM 1731 H SER A 183 -3.864 9.459 -9.932 1.00 0.00 H ATOM 1732 N TRP A 184 -2.527 11.988 -9.029 1.00 6.91 N ATOM 1733 CA TRP A 184 -1.789 13.124 -9.566 1.00 8.93 C ATOM 1734 C TRP A 184 -1.905 14.334 -8.635 1.00 8.79 C ATOM 1735 O TRP A 184 -1.726 15.482 -9.053 1.00 10.41 O ATOM 1736 CB TRP A 184 -2.307 13.475 -10.963 1.00 9.39 C ATOM 1737 CG TRP A 184 -1.920 12.486 -12.037 1.00 9.05 C ATOM 1738 CD1 TRP A 184 -1.125 11.383 -11.895 1.00 7.68 C ATOM 1739 CD2 TRP A 184 -2.307 12.526 -13.419 1.00 10.94 C ATOM 1740 NE1 TRP A 184 -0.999 10.733 -13.108 1.00 8.26 N ATOM 1741 CE2 TRP A 184 -1.712 11.418 -14.057 1.00 9.37 C ATOM 1742 CE3 TRP A 184 -3.105 13.390 -14.179 1.00 10.60 C ATOM 1743 CZ2 TRP A 184 -1.893 11.150 -15.416 1.00 10.42 C ATOM 1744 CZ3 TRP A 184 -3.281 13.120 -15.528 1.00 10.36 C ATOM 1745 CH2 TRP A 184 -2.676 12.013 -16.132 1.00 12.26 C ATOM 1746 HE1 TRP A 184 -0.452 9.864 -13.274 1.00 0.00 H ATOM 1747 H TRP A 184 -3.565 12.040 -9.000 1.00 0.00 H ATOM 1748 N GLY A 185 -2.188 14.073 -7.360 1.00 7.76 N ATOM 1749 CA GLY A 185 -2.315 15.143 -6.380 1.00 9.84 C ATOM 1750 C GLY A 185 -3.689 15.790 -6.382 1.00 12.29 C ATOM 1751 O GLY A 185 -4.517 15.517 -7.256 1.00 11.75 O ATOM 1752 H GLY A 185 -2.321 13.087 -7.058 1.00 0.00 H ATOM 1753 N GLU A 186 -3.945 16.653 -5.401 1.00 14.60 N ATOM 1754 CA GLU A 186 -5.271 17.242 -5.262 1.00 16.57 C ATOM 1755 C GLU A 186 -5.503 18.458 -6.151 1.00 16.47 C ATOM 1756 O GLU A 186 -6.637 18.917 -6.292 1.00 20.68 O ATOM 1757 CB GLU A 186 -5.557 17.582 -3.803 1.00 20.21 C ATOM 1758 CG GLU A 186 -5.836 16.348 -2.967 1.00 26.88 C ATOM 1759 CD GLU A 186 -6.491 16.676 -1.641 1.00 42.68 C ATOM 1760 OE1 GLU A 186 -7.105 17.760 -1.532 1.00 42.84 O ATOM 1761 OE2 GLU A 186 -6.390 15.846 -0.710 1.00 42.02 O ATOM 1762 H GLU A 186 -3.193 16.909 -4.729 1.00 0.00 H ATOM 1763 N ASN A 187 -4.438 18.981 -6.748 1.00 15.16 N ATOM 1764 CA ASN A 187 -4.575 20.129 -7.640 1.00 17.46 C ATOM 1765 C ASN A 187 -4.877 19.739 -9.080 1.00 19.68 C ATOM 1766 O ASN A 187 -5.025 20.600 -9.952 1.00 31.11 O ATOM 1767 CB ASN A 187 -3.340 21.020 -7.563 1.00 24.88 C ATOM 1768 CG ASN A 187 -3.173 21.649 -6.197 1.00 37.76 C ATOM 1769 OD1 ASN A 187 -4.155 21.994 -5.538 1.00 37.25 O ATOM 1770 ND2 ASN A 187 -1.928 21.790 -5.757 1.00 44.70 N ATOM 1771 HD22 ASN A 187 -1.129 21.484 -6.349 1.00 0.00 H ATOM 1772 HD21 ASN A 187 -1.751 22.206 -4.820 1.00 0.00 H ATOM 1773 H ASN A 187 -3.498 18.569 -6.579 1.00 0.00 H ATOM 1774 N TRP A 188 -4.964 18.438 -9.329 1.00 16.04 N ATOM 1775 CA TRP A 188 -5.422 17.958 -10.621 1.00 17.44 C ATOM 1776 C TRP A 188 -6.909 17.633 -10.545 1.00 13.88 C ATOM 1777 O TRP A 188 -7.394 17.152 -9.513 1.00 12.03 O ATOM 1778 CB TRP A 188 -4.628 16.728 -11.086 1.00 16.39 C ATOM 1779 CG TRP A 188 -5.198 16.190 -12.343 1.00 14.33 C ATOM 1780 CD1 TRP A 188 -4.909 16.591 -13.620 1.00 15.23 C ATOM 1781 CD2 TRP A 188 -6.217 15.196 -12.455 1.00 10.29 C ATOM 1782 NE1 TRP A 188 -5.676 15.890 -14.519 1.00 14.27 N ATOM 1783 CE2 TRP A 188 -6.489 15.027 -13.828 1.00 11.58 C ATOM 1784 CE3 TRP A 188 -6.924 14.426 -11.526 1.00 10.17 C ATOM 1785 CZ2 TRP A 188 -7.441 14.124 -14.291 1.00 13.89 C ATOM 1786 CZ3 TRP A 188 -7.867 13.527 -11.989 1.00 9.68 C ATOM 1787 CH2 TRP A 188 -8.111 13.378 -13.357 1.00 10.02 C ATOM 1788 HE1 TRP A 188 -5.645 15.996 -15.553 1.00 0.00 H ATOM 1789 H TRP A 188 -4.701 17.755 -8.590 1.00 0.00 H ATOM 1790 N GLY A 189 -7.630 17.893 -11.634 1.00 12.06 N ATOM 1791 CA GLY A 189 -9.030 17.521 -11.731 1.00 12.08 C ATOM 1792 C GLY A 189 -9.873 18.225 -10.697 1.00 9.57 C ATOM 1793 O GLY A 189 -9.649 19.404 -10.395 1.00 15.72 O ATOM 1794 H GLY A 189 -7.178 18.376 -12.437 1.00 0.00 H ATOM 1795 N ASN A 190 -10.850 17.510 -10.153 1.00 13.28 N ATOM 1796 CA ASN A 190 -11.666 18.049 -9.078 1.00 13.55 C ATOM 1797 C ASN A 190 -11.151 17.481 -7.759 1.00 14.04 C ATOM 1798 O ASN A 190 -11.575 16.402 -7.330 1.00 13.22 O ATOM 1799 CB ASN A 190 -13.136 17.695 -9.296 1.00 15.99 C ATOM 1800 CG ASN A 190 -14.064 18.431 -8.350 1.00 20.74 C ATOM 1801 OD1 ASN A 190 -13.634 18.979 -7.338 1.00 26.61 O ATOM 1802 ND2 ASN A 190 -15.350 18.441 -8.675 1.00 30.57 N ATOM 1803 HD22 ASN A 190 -15.671 17.964 -9.542 1.00 0.00 H ATOM 1804 HD21 ASN A 190 -16.037 18.926 -8.063 1.00 0.00 H ATOM 1805 H ASN A 190 -11.035 16.548 -10.502 1.00 0.00 H ATOM 1806 N LYS A 191 -10.233 18.208 -7.124 1.00 12.17 N ATOM 1807 CA LYS A 191 -9.575 17.731 -5.902 1.00 11.39 C ATOM 1808 C LYS A 191 -9.012 16.315 -6.052 1.00 9.97 C ATOM 1809 O LYS A 191 -9.045 15.502 -5.119 1.00 10.45 O ATOM 1810 CB LYS A 191 -10.525 17.813 -4.705 1.00 13.07 C ATOM 1811 CG LYS A 191 -10.929 19.242 -4.345 1.00 16.61 C ATOM 1812 CD LYS A 191 -9.708 20.092 -4.009 1.00 18.56 C ATOM 1813 CE LYS A 191 -10.093 21.515 -3.630 1.00 26.92 C ATOM 1814 NZ LYS A 191 -8.908 22.287 -3.159 1.00 32.77 N ATOM 1815 HZ1 LYS A 191 -8.501 21.819 -2.324 1.00 0.00 H ATOM 1816 HZ2 LYS A 191 -8.197 22.326 -3.917 1.00 0.00 H ATOM 1817 HZ3 LYS A 191 -9.202 23.252 -2.908 1.00 0.00 H ATOM 1818 H LYS A 191 -9.975 19.141 -7.505 1.00 0.00 H ATOM 1819 N GLY A 192 -8.489 16.025 -7.238 1.00 10.23 N ATOM 1820 CA GLY A 192 -7.796 14.772 -7.484 1.00 8.60 C ATOM 1821 C GLY A 192 -8.670 13.709 -8.110 1.00 7.68 C ATOM 1822 O GLY A 192 -8.203 12.597 -8.383 1.00 8.33 O ATOM 1823 H GLY A 192 -8.578 16.714 -8.012 1.00 0.00 H ATOM 1824 N TYR A 193 -9.933 14.063 -8.344 1.00 8.50 N ATOM 1825 CA TYR A 193 -10.936 13.151 -8.888 1.00 8.91 C ATOM 1826 C TYR A 193 -11.412 13.557 -10.273 1.00 8.08 C ATOM 1827 O TYR A 193 -11.327 14.729 -10.663 1.00 10.02 O ATOM 1828 CB TYR A 193 -12.153 13.092 -7.957 1.00 10.72 C ATOM 1829 CG TYR A 193 -11.928 12.230 -6.744 1.00 9.07 C ATOM 1830 CD1 TYR A 193 -11.272 12.730 -5.624 1.00 9.29 C ATOM 1831 CD2 TYR A 193 -12.347 10.903 -6.725 1.00 9.33 C ATOM 1832 CE1 TYR A 193 -11.053 11.933 -4.512 1.00 7.91 C ATOM 1833 CE2 TYR A 193 -12.127 10.098 -5.618 1.00 10.06 C ATOM 1834 CZ TYR A 193 -11.477 10.616 -4.521 1.00 8.34 C ATOM 1835 OH TYR A 193 -11.252 9.820 -3.423 1.00 11.47 O ATOM 1836 HH TYR A 193 -10.778 10.343 -2.729 1.00 0.00 H ATOM 1837 H TYR A 193 -10.220 15.039 -8.128 1.00 0.00 H ATOM 1838 N ILE A 194 -11.945 12.580 -11.000 1.00 8.72 N ATOM 1839 CA ILE A 194 -12.605 12.829 -12.275 1.00 8.94 C ATOM 1840 C ILE A 194 -13.861 11.968 -12.390 1.00 8.35 C ATOM 1841 O ILE A 194 -13.897 10.822 -11.921 1.00 9.13 O ATOM 1842 CB ILE A 194 -11.644 12.585 -13.476 1.00 10.05 C ATOM 1843 CG1 ILE A 194 -12.335 12.881 -14.815 1.00 10.00 C ATOM 1844 CG2 ILE A 194 -11.060 11.175 -13.439 1.00 8.63 C ATOM 1845 CD1 ILE A 194 -11.366 12.939 -15.994 1.00 11.81 C ATOM 1846 H ILE A 194 -11.889 11.604 -10.646 1.00 0.00 H ATOM 1847 N LEU A 195 -14.907 12.543 -12.974 1.00 8.09 N ATOM 1848 CA LEU A 195 -16.096 11.782 -13.347 1.00 10.09 C ATOM 1849 C LEU A 195 -15.926 11.389 -14.813 1.00 8.91 C ATOM 1850 O LEU A 195 -15.800 12.250 -15.689 1.00 12.66 O ATOM 1851 CB LEU A 195 -17.369 12.617 -13.156 1.00 11.15 C ATOM 1852 CG LEU A 195 -17.631 13.189 -11.761 1.00 9.73 C ATOM 1853 CD1 LEU A 195 -18.947 13.965 -11.708 1.00 16.06 C ATOM 1854 CD2 LEU A 195 -17.639 12.065 -10.733 1.00 16.32 C ATOM 1855 H LEU A 195 -14.878 13.564 -13.171 1.00 0.00 H ATOM 1856 N MET A 196 -15.905 10.089 -15.078 1.00 9.16 N ATOM 1857 CA MET A 196 -15.665 9.608 -16.435 1.00 8.49 C ATOM 1858 C MET A 196 -16.921 8.948 -16.976 1.00 8.83 C ATOM 1859 O MET A 196 -17.609 8.230 -16.250 1.00 10.87 O ATOM 1860 CB MET A 196 -14.482 8.639 -16.468 1.00 9.35 C ATOM 1861 CG MET A 196 -13.152 9.284 -16.073 1.00 8.98 C ATOM 1862 SD MET A 196 -11.711 8.216 -16.282 1.00 7.79 S ATOM 1863 CE MET A 196 -11.603 8.133 -18.065 1.00 9.95 C ATOM 1864 H MET A 196 -16.061 9.405 -14.310 1.00 0.00 H ATOM 1865 N ALA A 197 -17.220 9.190 -18.250 1.00 9.05 N ATOM 1866 CA ALA A 197 -18.446 8.683 -18.864 1.00 11.30 C ATOM 1867 C ALA A 197 -18.632 7.182 -18.673 1.00 12.42 C ATOM 1868 O ALA A 197 -17.705 6.400 -18.894 1.00 10.29 O ATOM 1869 CB ALA A 197 -18.486 9.039 -20.341 1.00 12.17 C ATOM 1870 H ALA A 197 -16.563 9.756 -18.825 1.00 0.00 H ATOM 1871 N ARG A 198 -19.835 6.803 -18.241 1.00 11.87 N ATOM 1872 CA ARG A 198 -20.192 5.410 -18.029 1.00 12.14 C ATOM 1873 C ARG A 198 -21.301 5.010 -18.993 1.00 12.31 C ATOM 1874 O ARG A 198 -22.210 5.807 -19.286 1.00 13.65 O ATOM 1875 CB ARG A 198 -20.645 5.203 -16.581 1.00 11.22 C ATOM 1876 CG ARG A 198 -21.183 3.806 -16.255 1.00 11.85 C ATOM 1877 CD ARG A 198 -21.388 3.628 -14.745 1.00 10.66 C ATOM 1878 NE ARG A 198 -22.376 4.565 -14.212 1.00 11.10 N ATOM 1879 CZ ARG A 198 -23.674 4.306 -14.088 1.00 12.27 C ATOM 1880 NH1 ARG A 198 -24.151 3.120 -14.443 1.00 14.38 N ATOM 1881 NH2 ARG A 198 -24.483 5.233 -13.603 1.00 14.99 N ATOM 1882 HE ARG A 198 -22.039 5.501 -13.908 1.00 0.00 H ATOM 1883 HH12 ARG A 198 -25.166 2.918 -14.346 1.00 0.00 H ATOM 1884 HH11 ARG A 198 -23.509 2.393 -14.818 1.00 0.00 H ATOM 1885 HH22 ARG A 198 -25.499 5.036 -13.504 1.00 0.00 H ATOM 1886 HH21 ARG A 198 -24.103 6.159 -13.321 1.00 0.00 H ATOM 1887 H ARG A 198 -20.548 7.535 -18.048 1.00 0.00 H ATOM 1888 N ASN A 199 -21.232 3.769 -19.467 1.00 12.02 N ATOM 1889 CA ASN A 199 -22.201 3.240 -20.438 1.00 12.66 C ATOM 1890 C ASN A 199 -22.170 4.022 -21.741 1.00 16.40 C ATOM 1891 O ASN A 199 -23.185 4.147 -22.435 1.00 21.70 O ATOM 1892 CB ASN A 199 -23.625 3.182 -19.867 1.00 13.83 C ATOM 1893 CG ASN A 199 -23.773 2.123 -18.801 1.00 17.74 C ATOM 1894 OD1 ASN A 199 -22.817 1.410 -18.481 1.00 18.32 O ATOM 1895 ND2 ASN A 199 -24.967 2.013 -18.240 1.00 21.77 N ATOM 1896 HD22 ASN A 199 -25.743 2.636 -18.542 1.00 0.00 H ATOM 1897 HD21 ASN A 199 -25.129 1.304 -17.497 1.00 0.00 H ATOM 1898 H ASN A 199 -20.464 3.150 -19.138 1.00 0.00 H ATOM 1899 N LYS A 200 -20.997 4.555 -22.064 1.00 15.30 N ATOM 1900 CA LYS A 200 -20.798 5.256 -23.318 1.00 12.10 C ATOM 1901 C LYS A 200 -19.767 4.492 -24.130 1.00 12.48 C ATOM 1902 O LYS A 200 -18.675 5.002 -24.438 1.00 14.56 O ATOM 1903 CB LYS A 200 -20.351 6.692 -23.071 1.00 16.85 C ATOM 1904 CG LYS A 200 -20.487 7.576 -24.280 1.00 22.10 C ATOM 1905 CD LYS A 200 -20.458 9.039 -23.888 1.00 25.11 C ATOM 1906 CE LYS A 200 -20.735 9.918 -25.089 1.00 26.15 C ATOM 1907 NZ LYS A 200 -21.059 11.313 -24.686 1.00 33.50 N ATOM 1908 HZ1 LYS A 200 -21.904 11.310 -24.080 1.00 0.00 H ATOM 1909 HZ2 LYS A 200 -20.256 11.717 -24.162 1.00 0.00 H ATOM 1910 HZ3 LYS A 200 -21.242 11.884 -25.535 1.00 0.00 H ATOM 1911 H LYS A 200 -20.201 4.467 -21.401 1.00 0.00 H ATOM 1912 N ASN A 201 -20.119 3.245 -24.437 1.00 18.20 N ATOM 1913 CA ASN A 201 -19.290 2.365 -25.248 1.00 18.72 C ATOM 1914 C ASN A 201 -17.889 2.213 -24.680 1.00 17.01 C ATOM 1915 O ASN A 201 -16.900 2.322 -25.405 1.00 17.63 O ATOM 1916 CB ASN A 201 -19.254 2.861 -26.696 1.00 22.78 C ATOM 1917 CG ASN A 201 -20.643 3.129 -27.244 1.00 34.16 C ATOM 1918 OD1 ASN A 201 -21.592 2.411 -26.930 1.00 32.95 O ATOM 1919 ND2 ASN A 201 -20.773 4.177 -28.050 1.00 36.28 N ATOM 1920 HD22 ASN A 201 -19.943 4.756 -28.288 1.00 0.00 H ATOM 1921 HD21 ASN A 201 -21.705 4.418 -28.443 1.00 0.00 H ATOM 1922 H ASN A 201 -21.027 2.883 -24.081 1.00 0.00 H ATOM 1923 N ASN A 202 -17.827 1.982 -23.369 1.00 12.80 N ATOM 1924 CA ASN A 202 -16.579 1.678 -22.684 1.00 11.49 C ATOM 1925 C ASN A 202 -15.534 2.766 -22.919 1.00 8.61 C ATOM 1926 O ASN A 202 -14.417 2.489 -23.371 1.00 10.80 O ATOM 1927 CB ASN A 202 -16.064 0.314 -23.143 1.00 13.71 C ATOM 1928 CG ASN A 202 -14.966 -0.230 -22.256 1.00 12.15 C ATOM 1929 OD1 ASN A 202 -14.874 0.102 -21.069 1.00 13.16 O ATOM 1930 ND2 ASN A 202 -14.130 -1.089 -22.826 1.00 14.71 N ATOM 1931 HD22 ASN A 202 -14.245 -1.339 -23.829 1.00 0.00 H ATOM 1932 HD21 ASN A 202 -13.359 -1.512 -22.270 1.00 0.00 H ATOM 1933 H ASN A 202 -18.705 2.020 -22.813 1.00 0.00 H ATOM 1934 N ALA A 203 -15.910 4.006 -22.612 1.00 9.70 N ATOM 1935 CA ALA A 203 -15.077 5.172 -22.891 1.00 11.30 C ATOM 1936 C ALA A 203 -13.715 5.073 -22.208 1.00 9.96 C ATOM 1937 O ALA A 203 -13.626 4.777 -21.011 1.00 9.09 O ATOM 1938 CB ALA A 203 -15.795 6.453 -22.481 1.00 11.44 C ATOM 1939 H ALA A 203 -16.833 4.149 -22.156 1.00 0.00 H ATOM 1940 N CYS A 204 -12.659 5.310 -22.986 1.00 9.54 N ATOM 1941 CA CYS A 204 -11.271 5.233 -22.515 1.00 8.78 C ATOM 1942 C CYS A 204 -10.828 3.841 -22.072 1.00 7.06 C ATOM 1943 O CYS A 204 -9.776 3.698 -21.447 1.00 8.79 O ATOM 1944 CB CYS A 204 -11.013 6.241 -21.394 1.00 7.89 C ATOM 1945 SG CYS A 204 -11.046 7.958 -21.939 1.00 10.54 S ATOM 1946 H CYS A 204 -12.828 5.563 -23.981 1.00 0.00 H ATOM 1947 N GLY A 205 -11.621 2.820 -22.395 1.00 9.24 N ATOM 1948 CA GLY A 205 -11.276 1.442 -22.067 1.00 9.26 C ATOM 1949 C GLY A 205 -11.421 1.100 -20.595 1.00 8.08 C ATOM 1950 O GLY A 205 -10.820 0.140 -20.097 1.00 10.40 O ATOM 1951 H GLY A 205 -12.512 3.012 -22.896 1.00 0.00 H ATOM 1952 N ILE A 206 -12.244 1.875 -19.901 1.00 7.82 N ATOM 1953 CA ILE A 206 -12.351 1.780 -18.452 1.00 8.73 C ATOM 1954 C ILE A 206 -12.710 0.384 -17.922 1.00 8.58 C ATOM 1955 O ILE A 206 -12.318 0.032 -16.812 1.00 7.89 O ATOM 1956 CB ILE A 206 -13.316 2.854 -17.908 1.00 9.47 C ATOM 1957 CG1 ILE A 206 -13.118 3.040 -16.401 1.00 12.92 C ATOM 1958 CG2 ILE A 206 -14.774 2.537 -18.276 1.00 11.62 C ATOM 1959 CD1 ILE A 206 -13.389 4.447 -15.936 1.00 15.33 C ATOM 1960 H ILE A 206 -12.830 2.570 -20.406 1.00 0.00 H ATOM 1961 N ALA A 207 -13.441 -0.414 -18.700 1.00 7.35 N ATOM 1962 CA ALA A 207 -13.765 -1.766 -18.251 1.00 10.34 C ATOM 1963 C ALA A 207 -12.873 -2.847 -18.869 1.00 11.46 C ATOM 1964 O ALA A 207 -13.186 -4.032 -18.768 1.00 11.17 O ATOM 1965 CB ALA A 207 -15.237 -2.084 -18.505 1.00 9.40 C ATOM 1966 H ALA A 207 -13.780 -0.076 -19.623 1.00 0.00 H ATOM 1967 N ASN A 208 -11.757 -2.455 -19.483 1.00 9.70 N ATOM 1968 CA ASN A 208 -10.914 -3.430 -20.180 1.00 11.03 C ATOM 1969 C ASN A 208 -9.900 -4.167 -19.313 1.00 12.09 C ATOM 1970 O ASN A 208 -9.517 -5.296 -19.634 1.00 13.40 O ATOM 1971 CB ASN A 208 -10.218 -2.809 -21.396 1.00 12.43 C ATOM 1972 CG ASN A 208 -11.119 -2.747 -22.600 1.00 15.27 C ATOM 1973 OD1 ASN A 208 -12.288 -3.097 -22.514 1.00 19.20 O ATOM 1974 ND2 ASN A 208 -10.582 -2.308 -23.733 1.00 18.80 N ATOM 1975 HD22 ASN A 208 -9.583 -2.021 -23.758 1.00 0.00 H ATOM 1976 HD21 ASN A 208 -11.161 -2.251 -24.595 1.00 0.00 H ATOM 1977 H ASN A 208 -11.483 -1.452 -19.467 1.00 0.00 H ATOM 1978 N LEU A 209 -9.457 -3.542 -18.227 1.00 10.07 N ATOM 1979 CA LEU A 209 -8.485 -4.198 -17.363 1.00 10.20 C ATOM 1980 C LEU A 209 -8.731 -3.814 -15.914 1.00 7.46 C ATOM 1981 O LEU A 209 -7.867 -3.218 -15.248 1.00 9.47 O ATOM 1982 CB LEU A 209 -7.058 -3.874 -17.808 1.00 10.44 C ATOM 1983 CG LEU A 209 -5.952 -4.814 -17.319 1.00 11.43 C ATOM 1984 CD1 LEU A 209 -6.053 -6.185 -17.984 1.00 11.94 C ATOM 1985 CD2 LEU A 209 -4.565 -4.208 -17.535 1.00 15.03 C ATOM 1986 H LEU A 209 -9.803 -2.589 -17.995 1.00 0.00 H ATOM 1987 N ALA A 210 -9.922 -4.170 -15.439 1.00 7.95 N ATOM 1988 CA ALA A 210 -10.362 -3.850 -14.093 1.00 9.03 C ATOM 1989 C ALA A 210 -10.219 -5.069 -13.191 1.00 8.28 C ATOM 1990 O ALA A 210 -10.440 -6.203 -13.614 1.00 10.26 O ATOM 1991 CB ALA A 210 -11.810 -3.355 -14.109 1.00 10.93 C ATOM 1992 H ALA A 210 -10.566 -4.701 -16.059 1.00 0.00 H ATOM 1993 N SER A 211 -9.851 -4.837 -11.938 1.00 6.92 N ATOM 1994 CA SER A 211 -9.634 -5.932 -11.004 1.00 8.96 C ATOM 1995 C SER A 211 -9.786 -5.459 -9.564 1.00 7.97 C ATOM 1996 O SER A 211 -9.699 -4.262 -9.274 1.00 7.74 O ATOM 1997 CB SER A 211 -8.244 -6.542 -11.215 1.00 8.56 C ATOM 1998 OG SER A 211 -7.216 -5.608 -10.916 1.00 9.32 O ATOM 1999 HG SER A 211 -7.306 -4.819 -11.507 1.00 0.00 H ATOM 2000 H SER A 211 -9.715 -3.857 -11.618 1.00 0.00 H ATOM 2001 N PHE A 212 -10.014 -6.404 -8.661 1.00 8.25 N ATOM 2002 CA PHE A 212 -10.080 -6.092 -7.241 1.00 8.13 C ATOM 2003 C PHE A 212 -9.479 -7.227 -6.427 1.00 9.13 C ATOM 2004 O PHE A 212 -9.511 -8.385 -6.860 1.00 9.26 O ATOM 2005 CB PHE A 212 -11.522 -5.785 -6.802 1.00 10.79 C ATOM 2006 CG PHE A 212 -12.488 -6.935 -6.973 1.00 11.05 C ATOM 2007 CD1 PHE A 212 -12.612 -7.911 -5.992 1.00 12.16 C ATOM 2008 CD2 PHE A 212 -13.296 -7.015 -8.100 1.00 13.12 C ATOM 2009 CE1 PHE A 212 -13.513 -8.951 -6.141 1.00 13.13 C ATOM 2010 CE2 PHE A 212 -14.201 -8.055 -8.256 1.00 14.89 C ATOM 2011 CZ PHE A 212 -14.309 -9.025 -7.274 1.00 14.80 C ATOM 2012 H PHE A 212 -10.148 -7.387 -8.974 1.00 0.00 H ATOM 2013 N PRO A 213 -8.905 -6.902 -5.257 1.00 8.45 N ATOM 2014 CA PRO A 213 -8.291 -7.917 -4.402 1.00 9.58 C ATOM 2015 C PRO A 213 -9.309 -8.606 -3.514 1.00 13.58 C ATOM 2016 O PRO A 213 -10.323 -8.001 -3.147 1.00 11.33 O ATOM 2017 CB PRO A 213 -7.326 -7.102 -3.541 1.00 8.17 C ATOM 2018 CG PRO A 213 -8.009 -5.785 -3.398 1.00 7.01 C ATOM 2019 CD PRO A 213 -8.741 -5.546 -4.702 1.00 8.83 C ATOM 2020 N LYS A 214 -9.035 -9.866 -3.190 1.00 12.75 N ATOM 2021 CA LYS A 214 -9.809 -10.604 -2.202 1.00 15.56 C ATOM 2022 C LYS A 214 -9.150 -10.453 -0.845 1.00 13.27 C ATOM 2023 O LYS A 214 -7.920 -10.373 -0.746 1.00 12.92 O ATOM 2024 CB LYS A 214 -9.882 -12.087 -2.571 1.00 17.74 C ATOM 2025 CG LYS A 214 -10.386 -12.349 -3.975 1.00 23.06 C ATOM 2026 CD LYS A 214 -11.819 -11.901 -4.130 1.00 32.09 C ATOM 2027 CE LYS A 214 -12.744 -12.744 -3.273 1.00 38.43 C ATOM 2028 NZ LYS A 214 -14.152 -12.584 -3.692 1.00 35.97 N ATOM 2029 HZ1 LYS A 214 -14.429 -11.586 -3.598 1.00 0.00 H ATOM 2030 HZ2 LYS A 214 -14.253 -12.882 -4.683 1.00 0.00 H ATOM 2031 HZ3 LYS A 214 -14.761 -13.172 -3.088 1.00 0.00 H ATOM 2032 H LYS A 214 -8.238 -10.342 -3.660 1.00 0.00 H ATOM 2033 N MET A 215 -9.957 -10.408 0.208 1.00 14.88 N ATOM 2034 CA MET A 215 -9.404 -10.241 1.543 1.00 15.01 C ATOM 2035 C MET A 215 -10.230 -10.971 2.589 1.00 19.01 C ATOM 2036 O MET A 215 -9.765 -11.225 3.696 1.00 19.80 O ATOM 2037 CB MET A 215 -9.318 -8.753 1.873 1.00 21.52 C ATOM 2038 CG MET A 215 -8.362 -8.403 2.979 1.00 22.81 C ATOM 2039 SD MET A 215 -8.377 -6.624 3.228 1.00 16.39 S ATOM 2040 CE MET A 215 -7.242 -6.057 1.973 1.00 14.87 C ATOM 2041 OXT MET A 215 -11.384 -11.328 2.351 1.00 26.86 O ATOM 2042 H MET A 215 -10.985 -10.492 0.078 1.00 0.00 H TER 2043 MET A 215 HETATM 2044 O HOH 1 -4.472 14.691 -0.337 1.00 27.88 O HETATM 2045 O HOH 2 -28.844 -4.132 -6.158 1.00 21.09 O HETATM 2046 O HOH 3 7.430 -17.302 2.664 1.00 43.49 O HETATM 2047 O HOH 4 9.224 -16.648 -4.250 1.00 37.43 O HETATM 2048 O HOH 5 3.718 12.480 -3.212 1.00 33.74 O HETATM 2049 O HOH 6 -24.951 -6.929 -5.760 1.00 38.10 O HETATM 2050 O HOH 7 -1.146 -15.907 1.381 1.00 34.78 O HETATM 2051 O HOH 8 -7.440 20.229 -1.083 1.00 38.00 O HETATM 2052 O HOH 9 -29.314 0.561 -10.672 1.00 21.06 O HETATM 2053 O HOH 10 -18.119 12.191 -30.434 1.00 28.34 O HETATM 2054 O HOH 11 -17.419 -13.856 -7.689 1.00 24.02 O HETATM 2055 O HOH 12 -21.273 11.088 -5.182 1.00 28.81 O HETATM 2056 O HOH 13 -15.185 -8.390 8.989 1.00 22.77 O HETATM 2057 O HOH 14 3.208 -14.943 7.578 1.00 34.68 O HETATM 2058 O HOH 15 1.931 0.436 10.551 1.00 30.07 O HETATM 2059 O HOH 16 12.857 10.354 -4.961 1.00 33.67 O HETATM 2060 O HOH 17 11.796 -1.531 6.118 1.00 36.88 O HETATM 2061 O HOH 18 11.647 -6.779 -11.695 1.00 33.94 O HETATM 2062 O HOH 19 -26.409 10.310 0.888 1.00 35.52 O HETATM 2063 O HOH 20 -10.010 10.766 -1.352 1.00 16.46 O HETATM 2064 O HOH 21 9.740 -9.678 -3.943 1.00 26.55 O HETATM 2065 O HOH 22 -7.699 -2.702 -24.256 1.00 35.18 O HETATM 2066 O HOH 23 -5.520 8.307 -27.300 1.00 23.29 O HETATM 2067 O HOH 24 4.791 8.793 4.472 1.00 27.76 O HETATM 2068 O HOH 25 -18.463 -1.142 6.303 1.00 28.65 O HETATM 2069 O HOH 26 -9.941 14.899 -2.733 1.00 18.12 O HETATM 2070 O HOH 27 -17.170 19.545 -7.139 1.00 34.57 O HETATM 2071 O HOH 28 13.382 -3.041 -5.907 1.00 15.50 O HETATM 2072 O HOH 29 -32.274 6.606 -11.026 1.00 26.30 O HETATM 2073 O HOH 30 4.441 -11.221 5.539 1.00 16.22 O HETATM 2074 O HOH 31 1.592 -5.413 11.898 1.00 30.07 O HETATM 2075 O HOH 32 -0.953 -10.617 -13.123 1.00 21.74 O HETATM 2076 O HOH 33 -17.253 15.540 -24.307 1.00 29.77 O HETATM 2077 O HOH 34 -20.285 -0.323 -22.429 1.00 20.02 O HETATM 2078 O HOH 35 -17.407 -2.996 -24.208 1.00 27.20 O HETATM 2079 O HOH 36 8.508 -8.733 0.231 1.00 16.33 O HETATM 2080 O HOH 37 -1.745 -4.077 -21.063 1.00 28.33 O HETATM 2081 O HOH 38 8.664 10.594 -8.195 1.00 29.20 O HETATM 2082 O HOH 39 7.859 -11.702 3.225 1.00 32.87 O HETATM 2083 O HOH 40 -19.346 -10.156 -19.955 1.00 30.53 O HETATM 2084 O HOH 41 -26.787 3.720 -12.421 1.00 19.56 O HETATM 2085 O HOH 42 -13.195 6.951 -27.981 1.00 12.74 O HETATM 2086 O HOH 43 -17.973 -5.572 6.429 1.00 25.43 O HETATM 2087 O HOH 44 -23.800 7.184 -20.949 1.00 32.27 O HETATM 2088 O HOH 45 -22.949 16.542 -16.401 1.00 22.90 O HETATM 2089 O HOH 46 -7.065 19.102 -14.268 1.00 15.34 O HETATM 2090 O HOH 47 -23.077 5.349 1.228 1.00 32.96 O HETATM 2091 O HOH 48 -3.307 13.563 -19.743 1.00 17.95 O HETATM 2092 O HOH 49 -25.376 3.238 -2.818 1.00 21.57 O HETATM 2093 O HOH 50 -4.347 -2.817 9.674 1.00 15.37 O HETATM 2094 O HOH 51 -2.539 9.407 -27.137 1.00 36.36 O HETATM 2095 O HOH 52 -1.279 17.193 -22.598 1.00 20.24 O HETATM 2096 O HOH 53 4.184 9.519 1.106 1.00 41.70 O HETATM 2097 O HOH 54 -11.465 21.890 -18.361 1.00 34.33 O HETATM 2098 O HOH 55 4.672 3.730 0.429 1.00 7.99 O HETATM 2099 O HOH 56 -11.149 18.655 -20.364 1.00 18.69 O HETATM 2100 O HOH 57 10.664 -12.823 -10.497 1.00 16.72 O HETATM 2101 O HOH 58 -28.312 22.054 -10.574 1.00 33.35 O HETATM 2102 O HOH 59 -8.192 13.822 -0.919 1.00 24.06 O HETATM 2103 O HOH 60 -9.813 -0.987 -17.127 1.00 7.53 O HETATM 2104 O HOH 61 -9.934 10.078 3.397 1.00 22.85 O HETATM 2105 O HOH 62 10.758 3.757 1.888 1.00 12.89 O HETATM 2106 O HOH 63 -5.810 4.685 -5.334 1.00 9.85 O HETATM 2107 O HOH 64 -9.342 -2.285 -27.378 1.00 21.24 O HETATM 2108 O HOH 65 -0.850 5.415 0.333 1.00 15.28 O HETATM 2109 O HOH 66 -18.554 8.503 -29.886 1.00 33.46 O HETATM 2110 O HOH 67 -1.902 18.037 -8.102 1.00 25.82 O HETATM 2111 O HOH 68 -27.306 7.008 -11.339 1.00 32.54 O HETATM 2112 O HOH 69 16.571 4.737 -5.430 1.00 19.84 O HETATM 2113 O HOH 70 3.243 -10.816 -8.621 1.00 13.72 O HETATM 2114 O HOH 71 -6.461 -4.667 -13.388 1.00 11.66 O HETATM 2115 O HOH 72 -3.869 6.074 -9.559 1.00 8.92 O HETATM 2116 O HOH 73 7.522 -12.498 -0.715 1.00 35.10 O HETATM 2117 O HOH 74 -20.121 14.210 -21.105 1.00 24.36 O HETATM 2118 O HOH 75 -11.803 -2.007 -2.531 1.00 8.10 O HETATM 2119 O HOH 76 -22.862 0.824 -15.767 1.00 18.06 O HETATM 2120 O HOH 77 -19.738 -1.926 1.843 1.00 20.15 O HETATM 2121 O HOH 78 -3.478 -1.359 -24.122 1.00 27.04 O HETATM 2122 O HOH 79 -12.612 -8.577 -1.661 1.00 19.61 O HETATM 2123 O HOH 80 -16.300 16.700 -10.953 1.00 20.56 O HETATM 2124 O HOH 81 -4.715 6.373 -3.425 1.00 10.29 O HETATM 2125 O HOH 82 -7.935 0.964 4.923 1.00 9.20 O HETATM 2126 O HOH 83 7.755 -2.107 10.431 1.00 38.07 O HETATM 2127 O HOH 84 -21.991 -3.966 -1.019 1.00 20.29 O HETATM 2128 O HOH 85 -16.731 5.830 -26.260 1.00 24.67 O HETATM 2129 O HOH 86 3.731 -17.737 -0.367 1.00 32.79 O HETATM 2130 O HOH 87 -4.388 8.893 -4.941 1.00 8.20 O HETATM 2131 O HOH 88 -1.616 13.011 -26.014 1.00 32.50 O HETATM 2132 O HOH 89 -6.185 -7.615 5.487 1.00 17.43 O HETATM 2133 O HOH 90 -9.558 -7.868 -18.532 1.00 25.30 O HETATM 2134 O HOH 91 -8.209 4.889 -1.068 1.00 6.61 O HETATM 2135 O HOH 92 -10.245 3.038 -1.362 1.00 6.35 O HETATM 2136 O HOH 93 -11.747 -5.679 -16.962 1.00 10.50 O HETATM 2137 O HOH 94 1.400 6.953 -0.321 1.00 16.70 O HETATM 2138 O HOH 95 -0.056 4.400 7.053 1.00 13.19 O HETATM 2139 O HOH 96 -9.115 -7.383 -15.785 1.00 14.76 O HETATM 2140 O HOH 97 8.616 1.388 -18.937 1.00 33.78 O HETATM 2141 O HOH 98 -1.496 -11.467 2.194 1.00 13.42 O HETATM 2142 O HOH 99 -13.612 19.557 -17.499 1.00 24.88 O HETATM 2143 O HOH 100 -15.936 -7.221 -0.544 1.00 16.31 O HETATM 2144 O HOH 101 9.311 7.261 -13.851 1.00 24.76 O HETATM 2145 O HOH 102 -13.235 5.799 7.558 1.00 21.63 O HETATM 2146 O HOH 103 10.912 -9.894 -13.501 1.00 42.11 O HETATM 2147 O HOH 104 -3.793 -7.452 -15.211 1.00 14.95 O HETATM 2148 O HOH 105 5.497 15.763 -10.026 1.00 42.94 O HETATM 2149 O HOH 106 -5.866 8.975 -29.384 1.00 41.27 O HETATM 2150 O HOH 107 -5.191 13.089 -8.532 1.00 8.17 O HETATM 2151 O HOH 108 -25.336 10.833 -21.488 1.00 42.40 O HETATM 2152 O HOH 109 -3.292 5.553 -0.936 1.00 11.93 O HETATM 2153 O HOH 110 -13.765 9.385 -23.285 1.00 10.83 O HETATM 2154 O HOH 111 -5.416 6.576 -31.227 1.00 39.39 O HETATM 2155 O HOH 112 -18.262 4.424 -20.844 1.00 11.17 O HETATM 2156 O HOH 113 0.677 -2.014 10.653 1.00 31.09 O HETATM 2157 O HOH 114 -30.254 -5.008 -8.948 1.00 40.02 O HETATM 2158 O HOH 115 1.314 16.998 -4.375 1.00 22.73 O HETATM 2159 O HOH 116 -13.257 16.082 -24.187 1.00 32.18 O HETATM 2160 O HOH 117 -13.551 7.943 2.352 1.00 11.31 O HETATM 2161 O HOH 118 -14.811 14.249 -28.173 1.00 20.86 O HETATM 2162 O HOH 119 -33.188 1.879 -11.311 1.00 14.86 O HETATM 2163 O HOH 120 10.295 0.188 5.469 1.00 28.19 O HETATM 2164 O HOH 121 -8.775 6.621 9.562 1.00 30.81 O HETATM 2165 O HOH 122 0.179 -11.939 9.992 1.00 30.51 O HETATM 2166 O HOH 123 -14.883 6.569 -19.195 1.00 8.74 O HETATM 2167 O HOH 124 -6.348 1.517 -32.116 1.00 14.08 O HETATM 2168 O HOH 125 11.280 8.627 -10.148 1.00 24.09 O HETATM 2169 O HOH 126 -7.171 10.595 -22.012 1.00 8.94 O HETATM 2170 O HOH 127 4.592 10.032 -13.335 1.00 19.07 O HETATM 2171 O HOH 128 -13.045 -6.797 2.602 1.00 17.71 O HETATM 2172 O HOH 129 -21.006 -9.871 -13.017 1.00 44.56 O HETATM 2173 O HOH 130 -12.797 -10.249 -0.108 1.00 30.93 O HETATM 2174 O HOH 131 -5.859 5.819 -7.834 1.00 8.01 O HETATM 2175 O HOH 132 -25.095 8.206 1.664 1.00 37.60 O HETATM 2176 O HOH 133 -13.823 15.587 -5.752 1.00 27.13 O HETATM 2177 O HOH 134 -20.700 16.828 -18.517 1.00 24.22 O HETATM 2178 O HOH 135 -23.103 12.615 -9.398 1.00 27.90 O HETATM 2179 O HOH 136 7.864 -3.233 -9.358 1.00 10.17 O HETATM 2180 O HOH 137 -27.165 3.136 -19.704 1.00 26.25 O HETATM 2181 O HOH 138 -22.022 9.877 -19.845 1.00 17.73 O HETATM 2182 O HOH 139 12.451 0.259 -13.506 1.00 28.21 O HETATM 2183 O HOH 140 -20.004 -8.825 -2.040 1.00 33.24 O HETATM 2184 O HOH 141 -10.042 4.114 10.605 1.00 20.96 O HETATM 2185 O HOH 142 -1.612 14.450 -2.770 1.00 18.94 O HETATM 2186 O HOH 143 -6.950 -17.774 -1.408 1.00 43.73 O HETATM 2187 O HOH 144 -14.335 8.962 -20.533 1.00 10.84 O HETATM 2188 O HOH 145 9.016 -0.384 9.194 1.00 33.05 O HETATM 2189 O HOH 146 -19.340 -3.064 -0.637 1.00 16.03 O HETATM 2190 O HOH 147 -8.678 20.563 -7.747 1.00 32.38 O HETATM 2191 O HOH 148 -13.755 2.278 -26.180 1.00 33.12 O HETATM 2192 O HOH 149 10.843 -4.666 -10.488 1.00 24.05 O HETATM 2193 O HOH 150 -1.265 14.590 -21.796 1.00 32.63 O HETATM 2194 O HOH 151 -0.786 19.458 -15.702 1.00 32.02 O HETATM 2195 O HOH 152 -25.380 8.867 -19.787 1.00 22.48 O HETATM 2196 O HOH 153 -11.971 4.458 -25.743 1.00 19.66 O HETATM 2197 O HOH 154 -20.851 -6.451 0.754 1.00 29.67 O HETATM 2198 O HOH 155 -14.501 17.692 -4.863 1.00 28.36 O HETATM 2199 O HOH 156 -13.231 -4.657 -24.797 1.00 34.48 O HETATM 2200 O HOH 157 5.936 -10.122 -8.728 1.00 13.18 O HETATM 2201 O HOH 158 -1.637 -1.546 -22.235 1.00 24.97 O HETATM 2202 O HOH 159 -17.889 -6.989 -22.701 1.00 36.23 O HETATM 2203 O HOH 160 -23.262 -1.146 -19.841 1.00 34.96 O HETATM 2204 O HOH 161 9.254 9.525 2.213 1.00 23.75 O HETATM 2205 O HOH 162 4.006 9.078 11.828 1.00 25.40 O HETATM 2206 O HOH 163 -20.454 -2.737 -21.302 1.00 25.19 O HETATM 2207 O HOH 164 -23.710 -8.648 -17.986 1.00 32.07 O HETATM 2208 O HOH 165 -29.393 12.986 -13.454 1.00 31.32 O HETATM 2209 O HOH 166 -6.970 -3.614 10.338 1.00 16.98 O HETATM 2210 O HOH 167 18.123 10.118 -5.311 1.00 23.94 O HETATM 2211 O HOH 168 -15.453 15.943 -21.394 1.00 32.99 O HETATM 2212 O HOH 169 -6.223 -14.913 -7.245 1.00 23.24 O HETATM 2213 O HOH 170 -4.254 -0.812 -32.329 1.00 43.46 O HETATM 2214 O HOH 171 1.392 11.553 -1.959 1.00 23.13 O HETATM 2215 O HOH 172 -25.413 9.934 -8.776 1.00 29.28 O HETATM 2216 O HOH 173 -3.651 0.878 15.191 1.00 25.59 O HETATM 2217 O HOH 174 -3.724 -5.288 -13.641 1.00 8.23 O HETATM 2218 O HOH 175 0.150 7.669 -25.370 1.00 33.25 O HETATM 2219 O HOH 176 8.500 13.289 -8.051 1.00 32.97 O HETATM 2220 O HOH 177 -10.616 -13.521 -12.148 1.00 21.48 O HETATM 2221 O HOH 178 -27.349 15.904 -11.196 1.00 32.44 O HETATM 2222 O HOH 179 -18.517 12.355 -1.744 1.00 26.35 O HETATM 2223 O HOH 180 -2.711 -2.420 -27.923 1.00 33.64 O HETATM 2224 O HOH 181 -23.167 -6.219 -20.129 1.00 37.45 O HETATM 2225 O HOH 182 0.577 8.617 -14.621 1.00 18.64 O HETATM 2226 O HOH 183 -2.998 6.427 7.461 1.00 23.82 O HETATM 2227 O HOH 184 -7.016 13.719 -31.014 1.00 35.50 O HETATM 2228 O HOH 185 11.660 -6.539 -6.980 1.00 40.82 O HETATM 2229 O HOH 186 -3.431 15.184 -26.393 1.00 10.59 O HETATM 2230 O HOH 187 14.245 -1.844 -11.743 1.00 48.23 O HETATM 2231 O HOH 188 11.654 -1.601 8.628 1.00 32.72 O HETATM 2232 O HOH 189 -26.979 1.771 -15.394 1.00 19.49 O HETATM 2233 O HOH 190 -12.127 -11.119 -20.058 1.00 36.21 O HETATM 2234 O HOH 191 -22.694 8.654 -6.642 1.00 21.96 O HETATM 2235 O HOH 192 0.146 7.549 6.478 1.00 17.85 O HETATM 2236 O HOH 193 3.809 8.021 -14.886 1.00 14.25 O HETATM 2237 O HOH 194 -20.473 11.796 -21.660 1.00 26.74 O HETATM 2238 O HOH 195 11.450 11.480 -1.273 1.00 30.47 O HETATM 2239 O HOH 196 -22.266 1.149 -23.491 1.00 34.50 O HETATM 2240 O HOH 197 -24.203 6.700 -23.969 1.00 37.71 O HETATM 2241 O HOH 198 1.077 -14.333 7.683 1.00 32.00 O HETATM 2242 O HOH 199 17.434 1.480 -1.729 1.00 25.36 O HETATM 2243 O HOH 200 -15.287 16.931 -18.780 1.00 39.45 O HETATM 2244 O HOH 201 -13.153 14.222 -3.022 1.00 33.53 O HETATM 2245 O HOH 202 -2.781 1.429 12.321 1.00 48.78 O HETATM 2246 O HOH 203 -1.331 18.687 -6.023 1.00 31.19 O HETATM 2247 O HOH 204 -22.988 5.334 -1.372 1.00 22.92 O HETATM 2248 O HOH 205 15.118 -6.202 -3.710 1.00 31.77 O HETATM 2249 O HOH 206 -1.510 16.939 -3.372 1.00 19.93 O HETATM 2250 O HOH 207 -7.797 22.515 -6.135 1.00 33.77 O HETATM 2251 O HOH 208 -29.516 3.665 -13.439 1.00 41.63 O HETATM 2252 O HOH 209 1.952 17.101 -9.757 1.00 35.95 O HETATM 2253 O HOH 210 -18.714 -8.680 -11.735 1.00 38.81 O HETATM 2254 O HOH 211 -24.243 8.572 -4.151 1.00 33.97 O HETATM 2255 O HOH 212 3.594 -15.119 -7.840 1.00 39.36 O HETATM 2256 O HOH 213 -14.142 7.375 -25.277 1.00 14.72 O HETATM 2257 O HOH 214 -22.309 -3.304 -20.229 1.00 35.49 O HETATM 2258 O HOH 215 -23.502 -11.859 -6.456 1.00 36.72 O HETATM 2259 O HOH 216 -27.344 -2.648 -12.993 1.00 34.16 O HETATM 2260 O HOH 217 -24.029 0.950 -1.581 1.00 41.09 O HETATM 2261 O HOH 218 2.183 3.199 -19.872 1.00 26.48 O HETATM 2262 O HOH 219 -11.368 -14.190 4.213 1.00 46.26 O HETATM 2263 O HOH 220 1.108 2.076 -22.446 1.00 32.17 O HETATM 2264 O HOH 221 -20.276 -4.762 -23.268 1.00 40.61 O HETATM 2265 O HOH 222 4.434 2.836 -18.916 1.00 37.98 O HETATM 2266 O HOH 223 -9.224 1.920 13.709 1.00 27.77 O HETATM 2267 O HOH 224 -30.501 -5.844 -7.068 1.00 43.92 O HETATM 2268 O HOH 225 7.650 -11.649 -6.210 1.00 26.65 O HETATM 2269 O HOH 226 0.819 13.388 -1.468 1.00 24.92 O HETATM 2270 O HOH 227 -17.869 11.962 0.757 1.00 39.20 O HETATM 2271 O HOH 228 -27.861 7.857 -19.785 1.00 33.80 O HETATM 2272 O HOH 229 -6.094 7.672 5.810 1.00 35.69 O HETATM 2273 O HOH 230 -11.179 24.972 -4.038 1.00 23.26 O HETATM 2274 O HOH 231 -1.518 -14.071 3.306 1.00 33.43 O HETATM 2275 O HOH 232 12.115 -7.981 -4.803 1.00 36.70 O HETATM 2276 O HOH 233 -6.734 -7.061 -14.511 1.00 12.54 O HETATM 2277 O HOH 234 11.043 1.989 -18.457 1.00 47.25 O HETATM 2278 O HOH 235 10.422 -12.355 -5.978 1.00 43.62 O HETATM 2279 O HOH 236 4.002 -12.788 -6.643 1.00 19.86 O HETATM 2280 O HOH 237 -14.916 4.640 -27.568 1.00 20.55 O HETATM 2281 O HOH 238 -10.723 16.926 -1.076 1.00 25.66 O HETATM 2282 O HOH 239 7.556 -19.092 -3.819 1.00 25.31 O HETATM 2283 O HOH 240 -5.403 -6.883 8.831 1.00 40.64 O HETATM 2284 O HOH 241 1.258 9.667 5.039 1.00 34.15 O HETATM 2285 O HOH 242 2.207 14.752 -11.401 1.00 28.45 O HETATM 2286 O HOH 243 -21.289 -12.867 -10.664 1.00 46.39 O HETATM 2287 O HOH 244 12.914 -12.350 -9.499 1.00 34.73 O HETATM 2288 O HOH 245 6.266 -18.243 -1.403 1.00 28.64 O HETATM 2289 O HOH 246 -3.048 -8.015 8.343 1.00 37.02 O HETATM 2290 O HOH 247 2.514 5.561 -20.461 1.00 38.28 O HETATM 2291 O HOH 248 -1.415 -10.160 -16.277 1.00 38.56 O HETATM 2292 O HOH 249 -16.469 -8.123 5.695 1.00 34.04 O HETATM 2293 O HOH 250 -25.200 -4.403 -4.224 1.00 32.99 O HETATM 2294 O HOH 251 2.340 12.836 -13.759 1.00 33.73 O HETATM 2295 O HOH 252 13.295 -9.739 -17.747 1.00 30.94 O HETATM 2296 O HOH 253 4.521 12.071 -15.399 1.00 37.27 O HETATM 2297 O HOH 254 -26.364 12.869 -2.526 1.00 28.90 O HETATM 2298 O HOH 255 14.734 12.313 -3.374 1.00 29.81 O HETATM 2299 O HOH 256 -27.074 -4.902 -12.139 1.00 43.44 O HETATM 2300 O HOH 257 -9.310 13.799 1.444 1.00 27.06 O HETATM 2301 O HOH 258 -13.548 17.819 -19.463 1.00 36.91 O HETATM 2302 O HOH 259 -28.683 6.386 -13.273 1.00 35.22 O HETATM 2303 O HOH 260 -0.668 16.429 -15.603 1.00 42.57 O HETATM 2304 O HOH 261 -18.613 -11.413 -11.156 1.00 39.12 O HETATM 2305 O HOH 262 1.740 9.711 -0.002 1.00 38.69 O HETATM 2306 O HOH 263 17.068 12.607 -3.993 1.00 29.81 O HETATM 2307 O HOH 264 11.650 3.250 -17.069 1.00 43.43 O HETATM 2308 O HOH 265 -3.139 -9.045 -17.259 1.00 31.74 O HETATM 2309 O HOH 266 -22.552 -9.222 -2.515 1.00 31.27 O HETATM 2310 O HOH 267 -4.871 8.446 7.953 1.00 41.98 O HETATM 2311 O HOH 268 -15.485 7.238 8.391 1.00 38.94 O HETATM 2312 O HOH 269 0.472 10.767 1.872 1.00 32.44 O HETATM 2313 O HOH 270 -5.144 12.405 -30.180 1.00 30.11 O HETATM 2314 O HOH 271 10.428 -10.179 -1.267 1.00 31.02 O HETATM 2315 O HOH 272 2.429 15.026 -2.490 1.00 28.24 O HETATM 2316 O HOH 273 -19.849 -5.046 5.002 1.00 40.00 O HETATM 2317 O HOH 274 -21.356 -4.396 3.161 1.00 39.62 O HETATM 2318 O HOH 275 13.752 -9.357 -9.508 1.00 35.12 O HETATM 2319 O HOH 276 13.374 -9.196 -0.826 1.00 45.06 O HETATM 2320 O HOH 277 -0.836 16.423 -13.689 1.00 42.22 O HETATM 2321 O HOH 278 4.315 8.252 -17.710 1.00 45.08 O HETATM 2322 C17 UNN A 279 2.751 -2.620 -17.387 1.00 -0.05 C HETATM 2323 C18 UNN A 279 3.808 -3.488 -17.143 1.00 -0.06 C HETATM 2324 C19 UNN A 279 5.136 -3.031 -17.313 1.00 -0.02 C HETATM 2325 C20 UNN A 279 5.378 -1.704 -17.734 1.00 -0.06 C HETATM 2326 C21 UNN A 279 4.317 -0.841 -17.973 1.00 -0.05 C HETATM 2327 C16 UNN A 279 2.990 -1.296 -17.799 1.00 0.01 C HETATM 2328 C15 UNN A 279 1.815 -0.378 -18.088 1.00 0.11 C HETATM 2329 N14 UNN A 279 0.781 -0.461 -17.068 1.00 0.27 N HETATM 2330 C05 UNN A 279 0.205 0.877 -16.712 1.00 0.07 C HETATM 2331 C04 UNN A 279 -1.065 0.742 -15.858 1.00 0.04 C HETATM 2332 C02 UNN A 279 -2.254 -0.041 -16.363 1.00 0.11 C HETATM 2333 C01 UNN A 279 -2.532 0.262 -17.843 1.00 -0.03 C HETATM 2334 H9 UNN A 279 -3.401 -0.322 -18.180 1.00 0.03 H HETATM 2335 H10 UNN A 279 -1.652 -0.010 -18.445 1.00 0.03 H HETATM 2336 H11 UNN A 279 -2.742 1.335 -17.965 1.00 0.03 H HETATM 2337 C03 UNN A 279 -2.042 -1.509 -16.130 1.00 -0.03 C HETATM 2338 H12 UNN A 279 -1.846 -1.686 -15.062 1.00 0.03 H HETATM 2339 H13 UNN A 279 -1.182 -1.854 -16.723 1.00 0.03 H HETATM 2340 H14 UNN A 279 -2.942 -2.062 -16.434 1.00 0.03 H HETATM 2341 F36 UNN A 279 -3.327 0.357 -15.633 1.00 -0.24 F HETATM 2342 H15 UNN A 279 -0.759 0.273 -14.912 1.00 0.04 H HETATM 2343 H16 UNN A 279 -1.422 1.764 -15.662 1.00 0.04 H HETATM 2344 C06 UNN A 279 1.194 1.801 -16.013 1.00 0.22 C HETATM 2345 O07 UNN A 279 2.006 1.336 -15.205 1.00 -0.39 O HETATM 2346 N08 UNN A 279 1.138 3.108 -16.301 1.00 -0.29 N HETATM 2347 C09 UNN A 279 1.997 4.106 -15.686 1.00 0.08 C HETATM 2348 C10 UNN A 279 3.476 4.001 -15.939 1.00 -0.04 C HETATM 2349 C11 UNN A 279 2.674 5.071 -16.624 1.00 -0.04 C HETATM 2350 H6 UNN A 279 2.486 5.010 -17.706 1.00 0.02 H HETATM 2351 H7 UNN A 279 2.800 6.124 -16.333 1.00 0.02 H HETATM 2352 H2 UNN A 279 4.190 4.271 -15.147 1.00 0.02 H HETATM 2353 H3 UNN A 279 3.876 3.157 -16.520 1.00 0.02 H HETATM 2354 C12 UNN A 279 1.564 4.633 -14.349 1.00 0.04 C HETATM 2355 N13 UNN A 279 2.134 5.657 -13.733 1.00 -0.27 N HETATM 2356 H19 UNN A 279 1.791 5.959 -12.834 1.00 0.22 H HETATM 2357 H5 UNN A 279 0.728 4.142 -13.854 1.00 0.11 H HETATM 2358 H18 UNN A 279 0.468 3.414 -16.977 1.00 0.18 H HETATM 2359 H17 UNN A 279 -0.081 1.361 -17.657 1.00 0.11 H HETATM 2360 H20 UNN A 279 1.180 -0.871 -16.238 1.00 0.21 H HETATM 2361 H21 UNN A 279 0.038 -1.050 -17.410 1.00 0.21 H HETATM 2362 C32 UNN A 279 1.257 -0.645 -19.465 1.00 0.44 C HETATM 2363 F33 UNN A 279 2.230 -0.650 -20.376 1.00 -0.16 F HETATM 2364 F34 UNN A 279 0.339 0.216 -19.801 1.00 -0.16 F HETATM 2365 F35 UNN A 279 0.689 -1.886 -19.491 1.00 -0.16 F HETATM 2366 H8 UNN A 279 2.196 0.654 -18.080 1.00 0.11 H HETATM 2367 H23 UNN A 279 4.505 0.178 -18.292 1.00 0.06 H HETATM 2368 H22 UNN A 279 6.396 -1.358 -17.871 1.00 0.06 H HETATM 2369 C22 UNN A 279 6.277 -3.953 -17.072 1.00 -0.02 C HETATM 2370 C23 UNN A 279 6.184 -5.001 -16.120 1.00 -0.05 C HETATM 2371 C24 UNN A 279 7.246 -5.853 -15.913 1.00 -0.04 C HETATM 2372 C25 UNN A 279 8.418 -5.697 -16.668 1.00 0.09 C HETATM 2373 C26 UNN A 279 8.521 -4.686 -17.606 1.00 -0.04 C HETATM 2374 C27 UNN A 279 7.451 -3.829 -17.813 1.00 -0.05 C HETATM 2375 H27 UNN A 279 7.529 -3.050 -18.563 1.00 0.06 H HETATM 2376 H26 UNN A 279 9.434 -4.564 -18.177 1.00 0.06 H HETATM 2377 S28 UNN A 279 9.797 -6.768 -16.424 1.00 -0.01 S HETATM 2378 O29 UNN A 279 10.575 -6.760 -17.657 1.00 -0.17 O HETATM 2379 O30 UNN A 279 9.321 -8.039 -15.925 1.00 -0.17 O HETATM 2380 C31 UNN A 279 10.704 -5.944 -15.163 1.00 0.06 C HETATM 2381 H28 UNN A 279 11.605 -6.526 -14.919 1.00 0.05 H HETATM 2382 H29 UNN A 279 10.077 -5.846 -14.265 1.00 0.05 H HETATM 2383 H30 UNN A 279 10.998 -4.945 -15.516 1.00 0.05 H HETATM 2384 H25 UNN A 279 7.177 -6.640 -15.171 1.00 0.06 H HETATM 2385 H24 UNN A 279 5.270 -5.132 -15.552 1.00 0.06 H HETATM 2386 H4 UNN A 279 3.617 -4.507 -16.825 1.00 0.06 H HETATM 2387 H1 UNN A 279 1.732 -2.966 -17.259 1.00 0.06 H CONECT 1 2 6 7 8 CONECT 6 1 CONECT 7 1 CONECT 8 1 CONECT 216 215 581 CONECT 523 522 895 CONECT 581 216 580 CONECT 895 523 894 CONECT 1459 1458 1945 CONECT 1945 1459 1944 CONECT 2322 2323 2327 2387 CONECT 2323 2322 2324 2386 CONECT 2324 2323 2325 2369 CONECT 2325 2324 2326 2368 CONECT 2326 2325 2327 2367 CONECT 2327 2322 2326 2328 CONECT 2328 2327 2329 2362 2366 CONECT 2329 2328 2330 2360 2361 CONECT 2330 2329 2331 2344 2359 CONECT 2331 2330 2332 2342 2343 CONECT 2332 2331 2333 2337 2341 CONECT 2333 2332 2334 2335 2336 CONECT 2334 2333 CONECT 2335 2333 CONECT 2336 2333 CONECT 2337 2332 2338 2339 2340 CONECT 2338 2337 CONECT 2339 2337 CONECT 2340 2337 CONECT 2341 2332 CONECT 2342 2331 CONECT 2343 2331 CONECT 2344 2330 2345 2346 CONECT 2345 2344 CONECT 2346 2344 2347 2358 CONECT 2347 2346 2348 2349 2354 CONECT 2348 2347 2349 2352 2353 CONECT 2349 2347 2348 2350 2351 CONECT 2350 2349 CONECT 2351 2349 CONECT 2352 2348 CONECT 2353 2348 CONECT 2354 2347 2355 2357 CONECT 2355 2354 2356 CONECT 2356 2355 CONECT 2357 2354 CONECT 2358 2346 CONECT 2359 2330 CONECT 2360 2329 CONECT 2361 2329 CONECT 2362 2328 2363 2364 2365 CONECT 2363 2362 CONECT 2364 2362 CONECT 2365 2362 CONECT 2366 2328 CONECT 2367 2326 CONECT 2368 2325 CONECT 2369 2324 2370 2374 CONECT 2370 2369 2371 2385 CONECT 2371 2370 2372 2384 CONECT 2372 2371 2373 2377 CONECT 2373 2372 2374 2376 CONECT 2374 2369 2373 2375 CONECT 2375 2374 CONECT 2376 2373 CONECT 2377 2372 2378 2379 2380 CONECT 2378 2377 CONECT 2379 2377 CONECT 2380 2377 2381 2382 2383 CONECT 2381 2380 CONECT 2382 2380 CONECT 2383 2380 CONECT 2384 2371 CONECT 2385 2370 CONECT 2386 2323 CONECT 2387 2322 MASTER 0 0 0 0 0 0 0 0 2386 1 76 17 END
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Related entries of code: 5tdi
Entries with 90% protein sequence similarity cutoff in PDBbind
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Protein Sequence Similarity
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PDBbind
215aa, >1AU0_1|Chain... at 100%
1au2
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PDBbind
215aa, >1AU2_1|Chain... at 100%
1ayu
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PDBbind
215aa, >1AYU_1|Chain... at 100%
1ayv
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PDBbind
215aa, >1AYV_1|Chain... at 100%
1bgo
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PDBbind
215aa, >1BGO_1|Chain... at 100%
1mem
RCSB PDB
PDBbind
215aa, >1MEM_1|Chain... at 100%
1nl6
RCSB PDB
PDBbind
215aa, >1NL6_1|Chains... at 100%
1nlj
RCSB PDB
PDBbind
215aa, >1NLJ_1|Chains... at 100%
1q6k
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PDBbind
215aa, >1Q6K_1|Chain... at 100%
1snk
RCSB PDB
PDBbind
214aa, >1SNK_1|Chain... at 100%
1tu6
RCSB PDB
PDBbind
215aa, >1TU6_1|Chains... at 100%
1u9v
RCSB PDB
PDBbind
217aa, >1U9V_1|Chain... *
1u9w
RCSB PDB
PDBbind
217aa, >1U9W_1|Chain... at 100%
1u9x
RCSB PDB
PDBbind
217aa, >1U9X_1|Chain... at 100%
1vsn
RCSB PDB
PDBbind
215aa, >1VSN_1|Chain... at 93%
1yk7
RCSB PDB
PDBbind
215aa, >1YK7_1|Chain... at 100%
1yt7
RCSB PDB
PDBbind
215aa, >1YT7_1|Chain... at 100%
2aux
RCSB PDB
PDBbind
215aa, >2AUX_1|Chain... at 100%
2auz
RCSB PDB
PDBbind
215aa, >2AUZ_1|Chain... at 100%
2bdl
RCSB PDB
PDBbind
215aa, >2BDL_1|Chain... at 100%
2ftd
RCSB PDB
PDBbind
215aa, >2FTD_1|Chains... at 100%
2r6n
RCSB PDB
PDBbind
217aa, >2R6N_1|Chain... at 100%
3c9e
RCSB PDB
PDBbind
215aa, >3C9E_1|Chain... at 100%
3kw9
RCSB PDB
PDBbind
215aa, >3KW9_1|Chain... at 100%
3kwb
RCSB PDB
PDBbind
215aa, >3KWB_1|Chains... at 100%
3kwz
RCSB PDB
PDBbind
215aa, >3KWZ_1|Chain... at 100%
3kx1
RCSB PDB
PDBbind
215aa, >3KX1_1|Chain... at 100%
3o0u
RCSB PDB
PDBbind
215aa, >3O0U_1|Chain... at 100%
3o1g
RCSB PDB
PDBbind
215aa, >3O1G_1|Chain... at 100%
3ovz
RCSB PDB
PDBbind
213aa, >3OVZ_1|Chain... at 100%
4dmy
RCSB PDB
PDBbind
215aa, >4DMY_1|Chains... at 100%
4x6h
RCSB PDB
PDBbind
215aa, >4X6H_1|Chain... at 100%
4x6i
RCSB PDB
PDBbind
215aa, >4X6I_1|Chain... at 100%
4x6j
RCSB PDB
PDBbind
215aa, >4X6J_1|Chain... at 100%
4yv8
RCSB PDB
PDBbind
215aa, >4YV8_1|Chain... at 100%
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PDBbind
215aa, >6HGY_1|Chain... at 100%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
5tdi
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Cathepsin K
Ligand Name
7AS
EC.Number
E.C.-.-.-.-
Resolution
1.4(Å)
Affinity (Kd/Ki/IC50)
Ki=0.18nM
Release Year
2017
Protein/NA Sequence
Check fasta file
Primary Reference
(2017) Biochem. J. Vol. 474: pp. 851-864
Ligand Properties
Formula
C
2
5
H
3
0
F
4
N
3
O
3
S
Molecular Weight
528.583
Exact Mass
528.194
No. of atoms
66
No. of bonds
68
Polar Surface Area
112.08
LOGP Value
3.97 (
Computed with XLOGP3
)
5.30 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 11
No. of Nitrogen and Oxygen Atoms: 6
No. of Rings: 3
Canonical SMILES
N=CC1(CC1)NC(=O)[C@H](CC(F)(C)C)[NH2+][C@H](C(F)(F)F)c1ccc(cc1)c1ccc(cc1)S(=O)(=O)C
InChI String
InChI=1S/C25H29F4N3O3S/c1-23(2,26)14-20(22(33)32-24(15-30)12-13-24)31-21(25(27,28)29)18-6-4-16(5-7-18)17-8-10-19(11-9-17)36(3,34)35/h4-11,15,20-21,30-31H,12-14H2,1-3H3,(H,32,33)/p+1/b30-15+/t20-,21-/m0/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):
P43235
Entrez Gene ID
NCBI Entrez Gene ID:
1513
ASD
Information of known allosteric effects of PDB entries
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