ATOM 32 N GLN S 3 -12.687 -3.128 0.511 1.00 0.47 N ATOM 33 CA GLN S 3 -12.139 -4.454 0.265 1.00 0.32 C ATOM 34 C GLN S 3 -10.736 -4.376 -0.301 1.00 0.20 C ATOM 35 O GLN S 3 -10.020 -5.385 -0.347 1.00 0.16 O ATOM 36 CB GLN S 3 -13.044 -5.253 -0.679 1.00 0.41 C ATOM 37 CG GLN S 3 -12.998 -4.784 -2.124 1.00 1.00 C ATOM 38 CD GLN S 3 -13.782 -5.690 -3.055 1.00 1.06 C ATOM 39 OE1 GLN S 3 -13.909 -6.889 -2.811 1.00 1.31 O ATOM 40 NE2 GLN S 3 -14.313 -5.120 -4.129 1.00 1.80 N ATOM 41 H GLN S 3 -13.259 -2.723 -0.172 1.00 0.79 H ATOM 42 HA GLN S 3 -12.085 -4.965 1.205 1.00 0.34 H ATOM 43 HB2 GLN S 3 -12.746 -6.290 -0.652 1.00 1.09 H ATOM 44 HB3 GLN S 3 -14.064 -5.172 -0.333 1.00 1.01 H ATOM 45 HG2 GLN S 3 -13.413 -3.790 -2.181 1.00 1.66 H ATOM 46 HG3 GLN S 3 -11.968 -4.763 -2.450 1.00 1.68 H ATOM 47 HE21 GLN S 3 -14.172 -4.160 -4.263 1.00 2.41 H ATOM 48 HE22 GLN S 3 -14.826 -5.683 -4.747 1.00 1.95 H ATOM 49 N GLU S 4 -10.323 -3.190 -0.728 1.00 0.22 N ATOM 50 CA GLU S 4 -9.016 -3.080 -1.334 1.00 0.23 C ATOM 51 C GLU S 4 -7.916 -3.214 -0.309 1.00 0.21 C ATOM 52 O GLU S 4 -6.781 -3.498 -0.665 1.00 0.27 O ATOM 53 CB GLU S 4 -8.843 -1.786 -2.157 1.00 0.28 C ATOM 54 CG GLU S 4 -8.600 -0.521 -1.339 1.00 0.28 C ATOM 55 CD GLU S 4 -7.307 -0.553 -0.543 1.00 0.92 C ATOM 56 OE1 GLU S 4 -7.359 -0.330 0.682 1.00 1.37 O ATOM 57 OE2 GLU S 4 -6.241 -0.795 -1.145 1.00 1.34 O ATOM 58 H GLU S 4 -10.886 -2.389 -0.602 1.00 0.28 H ATOM 59 HA GLU S 4 -8.936 -3.925 -1.999 1.00 0.25 H ATOM 60 HB2 GLU S 4 -7.999 -1.914 -2.816 1.00 0.34 H ATOM 61 HB3 GLU S 4 -9.727 -1.634 -2.759 1.00 0.33 H ATOM 62 HG2 GLU S 4 -8.552 0.317 -2.018 1.00 0.68 H ATOM 63 HG3 GLU S 4 -9.426 -0.383 -0.657 1.00 0.62 H ATOM 64 N THR S 5 -8.220 -3.016 0.964 1.00 0.17 N ATOM 65 CA THR S 5 -7.183 -3.142 1.961 1.00 0.20 C ATOM 66 C THR S 5 -6.646 -4.561 1.945 1.00 0.20 C ATOM 67 O THR S 5 -5.481 -4.790 1.627 1.00 0.22 O ATOM 68 CB THR S 5 -7.704 -2.806 3.369 1.00 0.21 C ATOM 69 OG1 THR S 5 -8.232 -1.475 3.391 1.00 0.99 O ATOM 70 CG2 THR S 5 -6.595 -2.934 4.403 1.00 1.04 C ATOM 71 H THR S 5 -9.135 -2.816 1.252 1.00 0.18 H ATOM 72 HA THR S 5 -6.387 -2.455 1.711 1.00 0.23 H ATOM 73 HB THR S 5 -8.492 -3.502 3.620 1.00 0.71 H ATOM 74 HG1 THR S 5 -9.168 -1.497 3.178 1.00 1.46 H ATOM 75 HG21 THR S 5 -5.774 -2.288 4.132 1.00 1.62 H ATOM 76 HG22 THR S 5 -6.973 -2.648 5.374 1.00 1.63 H ATOM 77 HG23 THR S 5 -6.251 -3.957 4.438 1.00 1.61 H ATOM 78 N ARG S 6 -7.502 -5.517 2.278 1.00 0.19 N ATOM 79 CA ARG S 6 -7.093 -6.910 2.275 1.00 0.20 C ATOM 80 C ARG S 6 -6.349 -7.297 1.002 1.00 0.17 C ATOM 81 O ARG S 6 -5.160 -7.605 1.061 1.00 0.17 O ATOM 82 CB ARG S 6 -8.295 -7.836 2.498 1.00 0.27 C ATOM 83 CG ARG S 6 -9.471 -7.571 1.573 1.00 0.82 C ATOM 84 CD ARG S 6 -10.690 -8.389 1.972 1.00 0.61 C ATOM 85 NE ARG S 6 -10.370 -9.804 2.145 1.00 0.94 N ATOM 86 CZ ARG S 6 -11.152 -10.663 2.792 1.00 1.24 C ATOM 87 NH1 ARG S 6 -12.295 -10.252 3.324 1.00 1.00 N ATOM 88 NH2 ARG S 6 -10.792 -11.933 2.907 1.00 1.95 N ATOM 89 H ARG S 6 -8.358 -5.283 2.687 1.00 0.19 H ATOM 90 HA ARG S 6 -6.415 -7.036 3.103 1.00 0.23 H ATOM 91 HB2 ARG S 6 -7.977 -8.857 2.351 1.00 0.95 H ATOM 92 HB3 ARG S 6 -8.636 -7.721 3.517 1.00 0.83 H ATOM 93 HG2 ARG S 6 -9.723 -6.521 1.620 1.00 1.40 H ATOM 94 HG3 ARG S 6 -9.187 -7.832 0.564 1.00 1.47 H ATOM 95 HD2 ARG S 6 -11.083 -8.001 2.904 1.00 0.70 H ATOM 96 HD3 ARG S 6 -11.439 -8.292 1.201 1.00 1.03 H ATOM 97 HE ARG S 6 -9.529 -10.129 1.762 1.00 1.26 H ATOM 98 HH11 ARG S 6 -12.571 -9.295 3.241 1.00 0.81 H ATOM 99 HH12 ARG S 6 -12.882 -10.901 3.810 1.00 1.29 H ATOM 100 HH21 ARG S 6 -9.930 -12.246 2.507 1.00 2.27 H ATOM 101 HH22 ARG S 6 -11.382 -12.577 3.392 1.00 2.22 H ATOM 102 N ASP S 7 -7.007 -7.242 -0.155 1.00 0.17 N ATOM 103 CA ASP S 7 -6.374 -7.653 -1.408 1.00 0.18 C ATOM 104 C ASP S 7 -5.260 -6.730 -1.890 1.00 0.16 C ATOM 105 O ASP S 7 -4.172 -7.194 -2.221 1.00 0.16 O ATOM 106 CB ASP S 7 -7.439 -7.750 -2.489 1.00 0.24 C ATOM 107 CG ASP S 7 -7.569 -9.151 -3.055 1.00 0.73 C ATOM 108 OD1 ASP S 7 -6.925 -9.435 -4.087 1.00 1.06 O ATOM 109 OD2 ASP S 7 -8.310 -9.965 -2.465 1.00 1.30 O ATOM 110 H ASP S 7 -7.949 -6.961 -0.213 1.00 0.18 H ATOM 111 HA ASP S 7 -5.961 -8.634 -1.260 1.00 0.18 H ATOM 112 HB2 ASP S 7 -8.386 -7.461 -2.065 1.00 0.74 H ATOM 113 HB3 ASP S 7 -7.190 -7.075 -3.291 1.00 0.50 H ATOM 114 N GLN S 8 -5.522 -5.433 -1.931 1.00 0.17 N ATOM 115 CA GLN S 8 -4.529 -4.491 -2.436 1.00 0.18 C ATOM 116 C GLN S 8 -3.513 -4.092 -1.371 1.00 0.17 C ATOM 117 O GLN S 8 -2.326 -4.343 -1.529 1.00 0.17 O ATOM 118 CB GLN S 8 -5.202 -3.246 -3.013 1.00 0.19 C ATOM 119 CG GLN S 8 -6.281 -3.556 -4.037 1.00 0.31 C ATOM 120 CD GLN S 8 -5.743 -4.291 -5.248 1.00 0.49 C ATOM 121 OE1 GLN S 8 -5.326 -3.674 -6.228 1.00 1.34 O ATOM 122 NE2 GLN S 8 -5.752 -5.618 -5.186 1.00 1.25 N ATOM 123 H GLN S 8 -6.370 -5.102 -1.572 1.00 0.19 H ATOM 124 HA GLN S 8 -3.998 -4.988 -3.233 1.00 0.18 H ATOM 125 HB2 GLN S 8 -5.649 -2.684 -2.208 1.00 0.21 H ATOM 126 HB3 GLN S 8 -4.450 -2.636 -3.490 1.00 0.25 H ATOM 127 HG2 GLN S 8 -7.038 -4.168 -3.569 1.00 0.73 H ATOM 128 HG3 GLN S 8 -6.724 -2.627 -4.364 1.00 0.72 H ATOM 129 HE21 GLN S 8 -6.099 -6.041 -4.374 1.00 1.92 H ATOM 130 HE22 GLN S 8 -5.409 -6.119 -5.956 1.00 1.47 H ATOM 131 N MET S 9 -3.969 -3.473 -0.289 1.00 0.18 N ATOM 132 CA MET S 9 -3.049 -3.040 0.758 1.00 0.20 C ATOM 133 C MET S 9 -2.088 -4.156 1.165 1.00 0.19 C ATOM 134 O MET S 9 -0.886 -3.933 1.242 1.00 0.20 O ATOM 135 CB MET S 9 -3.794 -2.519 1.988 1.00 0.24 C ATOM 136 CG MET S 9 -2.883 -1.802 2.971 1.00 0.27 C ATOM 137 SD MET S 9 -2.047 -0.388 2.227 1.00 1.34 S ATOM 138 CE MET S 9 -0.765 -0.072 3.437 1.00 0.80 C ATOM 139 H MET S 9 -4.928 -3.297 -0.198 1.00 0.19 H ATOM 140 HA MET S 9 -2.462 -2.229 0.349 1.00 0.22 H ATOM 141 HB2 MET S 9 -4.562 -1.831 1.668 1.00 0.27 H ATOM 142 HB3 MET S 9 -4.253 -3.351 2.498 1.00 0.27 H ATOM 143 HG2 MET S 9 -3.476 -1.455 3.803 1.00 0.86 H ATOM 144 HG3 MET S 9 -2.138 -2.498 3.325 1.00 0.91 H ATOM 145 HE1 MET S 9 -1.216 0.122 4.398 1.00 1.27 H ATOM 146 HE2 MET S 9 -0.119 -0.936 3.510 1.00 1.02 H ATOM 147 HE3 MET S 9 -0.184 0.785 3.132 1.00 1.39 H ATOM 148 N LYS S 10 -2.605 -5.354 1.427 1.00 0.19 N ATOM 149 CA LYS S 10 -1.746 -6.464 1.829 1.00 0.21 C ATOM 150 C LYS S 10 -0.817 -6.914 0.703 1.00 0.19 C ATOM 151 O LYS S 10 0.362 -7.173 0.936 1.00 0.21 O ATOM 152 CB LYS S 10 -2.593 -7.647 2.295 1.00 0.25 C ATOM 153 CG LYS S 10 -1.809 -8.701 3.064 1.00 1.11 C ATOM 154 CD LYS S 10 -1.222 -8.142 4.353 1.00 1.64 C ATOM 155 CE LYS S 10 -2.308 -7.650 5.299 1.00 2.24 C ATOM 156 NZ LYS S 10 -1.745 -7.177 6.593 1.00 3.19 N ATOM 157 H LYS S 10 -3.579 -5.496 1.386 1.00 0.20 H ATOM 158 HA LYS S 10 -1.141 -6.125 2.656 1.00 0.25 H ATOM 159 HB2 LYS S 10 -3.384 -7.280 2.932 1.00 0.75 H ATOM 160 HB3 LYS S 10 -3.031 -8.119 1.428 1.00 0.78 H ATOM 161 HG2 LYS S 10 -2.471 -9.518 3.309 1.00 1.84 H ATOM 162 HG3 LYS S 10 -1.005 -9.064 2.440 1.00 1.69 H ATOM 163 HD2 LYS S 10 -0.656 -8.918 4.845 1.00 2.34 H ATOM 164 HD3 LYS S 10 -0.568 -7.317 4.110 1.00 2.01 H ATOM 165 HE2 LYS S 10 -2.835 -6.834 4.827 1.00 2.66 H ATOM 166 HE3 LYS S 10 -2.996 -8.461 5.489 1.00 2.46 H ATOM 167 HZ1 LYS S 10 -1.032 -6.438 6.425 1.00 3.52 H ATOM 168 HZ2 LYS S 10 -2.500 -6.783 7.190 1.00 3.85 H ATOM 169 HZ3 LYS S 10 -1.296 -7.967 7.099 1.00 3.36 H ATOM 170 N ASN S 11 -1.347 -7.007 -0.513 1.00 0.16 N ATOM 171 CA ASN S 11 -0.555 -7.457 -1.658 1.00 0.17 C ATOM 172 C ASN S 11 0.262 -6.328 -2.277 1.00 0.15 C ATOM 173 O ASN S 11 1.488 -6.397 -2.302 1.00 0.15 O ATOM 174 CB ASN S 11 -1.469 -8.086 -2.710 1.00 0.20 C ATOM 175 CG ASN S 11 -0.693 -8.760 -3.826 1.00 0.31 C ATOM 176 OD1 ASN S 11 -1.150 -8.816 -4.968 1.00 0.99 O ATOM 177 ND2 ASN S 11 0.486 -9.280 -3.502 1.00 1.27 N ATOM 178 H ASN S 11 -2.287 -6.764 -0.645 1.00 0.15 H ATOM 179 HA ASN S 11 0.136 -8.208 -1.300 1.00 0.18 H ATOM 180 HB2 ASN S 11 -2.102 -8.824 -2.237 1.00 0.27 H ATOM 181 HB3 ASN S 11 -2.090 -7.314 -3.143 1.00 0.22 H ATOM 182 HD21 ASN S 11 0.788 -9.201 -2.573 1.00 2.00 H ATOM 183 HD22 ASN S 11 1.007 -9.722 -4.205 1.00 1.33 H ATOM 184 N ALA S 12 -0.413 -5.301 -2.786 1.00 0.16 N ATOM 185 CA ALA S 12 0.275 -4.168 -3.396 1.00 0.17 C ATOM 186 C ALA S 12 1.447 -3.727 -2.534 1.00 0.15 C ATOM 187 O ALA S 12 2.574 -3.606 -3.018 1.00 0.16 O ATOM 188 CB ALA S 12 -0.689 -3.012 -3.617 1.00 0.20 C ATOM 189 H ALA S 12 -1.391 -5.316 -2.780 1.00 0.16 H ATOM 190 HA ALA S 12 0.649 -4.485 -4.358 1.00 0.20 H ATOM 191 HB1 ALA S 12 -1.059 -2.665 -2.664 1.00 0.85 H ATOM 192 HB2 ALA S 12 -0.176 -2.205 -4.119 1.00 0.88 H ATOM 193 HB3 ALA S 12 -1.517 -3.346 -4.226 1.00 0.89 H ATOM 194 N ALA S 13 1.179 -3.486 -1.255 1.00 0.15 N ATOM 195 CA ALA S 13 2.233 -3.094 -0.332 1.00 0.15 C ATOM 196 C ALA S 13 3.316 -4.160 -0.330 1.00 0.13 C ATOM 197 O ALA S 13 4.491 -3.862 -0.532 1.00 0.12 O ATOM 198 CB ALA S 13 1.691 -2.882 1.073 1.00 0.18 C ATOM 199 H ALA S 13 0.254 -3.566 -0.939 1.00 0.15 H ATOM 200 HA ALA S 13 2.655 -2.162 -0.680 1.00 0.16 H ATOM 201 HB1 ALA S 13 2.479 -2.508 1.711 1.00 1.04 H ATOM 202 HB2 ALA S 13 1.329 -3.823 1.463 1.00 1.01 H ATOM 203 HB3 ALA S 13 0.882 -2.169 1.044 1.00 1.05 H ATOM 204 N ALA S 14 2.909 -5.400 -0.056 1.00 0.14 N ATOM 205 CA ALA S 14 3.825 -6.535 -0.062 1.00 0.15 C ATOM 206 C ALA S 14 4.799 -6.480 -1.236 1.00 0.13 C ATOM 207 O ALA S 14 6.013 -6.521 -1.039 1.00 0.14 O ATOM 208 CB ALA S 14 3.048 -7.842 -0.095 1.00 0.17 C ATOM 209 H ALA S 14 1.990 -5.545 0.253 1.00 0.16 H ATOM 210 HA ALA S 14 4.384 -6.510 0.856 1.00 0.17 H ATOM 211 HB1 ALA S 14 2.437 -7.877 -0.984 1.00 0.97 H ATOM 212 HB2 ALA S 14 3.740 -8.672 -0.101 1.00 0.96 H ATOM 213 HB3 ALA S 14 2.417 -7.907 0.779 1.00 1.06 H ATOM 214 N GLU S 15 4.273 -6.381 -2.457 1.00 0.14 N ATOM 215 CA GLU S 15 5.091 -6.338 -3.663 1.00 0.14 C ATOM 216 C GLU S 15 5.922 -5.063 -3.758 1.00 0.12 C ATOM 217 O GLU S 15 6.906 -5.013 -4.493 1.00 0.13 O ATOM 218 CB GLU S 15 4.193 -6.468 -4.889 1.00 0.18 C ATOM 219 CG GLU S 15 3.639 -7.866 -5.075 1.00 0.31 C ATOM 220 CD GLU S 15 4.699 -8.867 -5.487 1.00 0.87 C ATOM 221 OE1 GLU S 15 5.341 -9.457 -4.592 1.00 1.13 O ATOM 222 OE2 GLU S 15 4.888 -9.064 -6.706 1.00 1.28 O ATOM 223 H GLU S 15 3.307 -6.323 -2.597 1.00 0.15 H ATOM 224 HA GLU S 15 5.753 -7.187 -3.636 1.00 0.15 H ATOM 225 HB2 GLU S 15 3.360 -5.789 -4.783 1.00 0.29 H ATOM 226 HB3 GLU S 15 4.757 -6.204 -5.769 1.00 0.17 H ATOM 227 HG2 GLU S 15 3.209 -8.185 -4.144 1.00 0.27 H ATOM 228 HG3 GLU S 15 2.872 -7.841 -5.830 1.00 0.60 H ATOM 229 N ALA S 16 5.534 -4.039 -3.007 1.00 0.11 N ATOM 230 CA ALA S 16 6.245 -2.769 -3.055 1.00 0.12 C ATOM 231 C ALA S 16 7.407 -2.830 -2.085 1.00 0.10 C ATOM 232 O ALA S 16 8.438 -2.182 -2.263 1.00 0.11 O ATOM 233 CB ALA S 16 5.315 -1.615 -2.710 1.00 0.14 C ATOM 234 H ALA S 16 4.892 -4.191 -2.288 1.00 0.11 H ATOM 235 HA ALA S 16 6.623 -2.625 -4.057 1.00 0.14 H ATOM 236 HB1 ALA S 16 5.001 -1.704 -1.681 1.00 1.06 H ATOM 237 HB2 ALA S 16 5.837 -0.679 -2.848 1.00 0.99 H ATOM 238 HB3 ALA S 16 4.451 -1.644 -3.354 1.00 1.02 H ATOM 239 N LYS S 17 7.202 -3.629 -1.048 1.00 0.09 N ATOM 240 CA LYS S 17 8.208 -3.834 -0.028 1.00 0.08 C ATOM 241 C LYS S 17 9.259 -4.818 -0.531 1.00 0.09 C ATOM 242 O LYS S 17 10.435 -4.728 -0.200 1.00 0.10 O ATOM 243 CB LYS S 17 7.575 -4.351 1.266 1.00 0.10 C ATOM 244 CG LYS S 17 6.873 -3.273 2.072 1.00 0.10 C ATOM 245 CD LYS S 17 7.871 -2.300 2.683 1.00 0.11 C ATOM 246 CE LYS S 17 7.182 -1.289 3.585 1.00 0.14 C ATOM 247 NZ LYS S 17 8.149 -0.326 4.180 1.00 1.35 N ATOM 248 H LYS S 17 6.345 -4.100 -1.002 1.00 0.10 H ATOM 249 HA LYS S 17 8.678 -2.876 0.159 1.00 0.09 H ATOM 250 HB2 LYS S 17 6.852 -5.114 1.019 1.00 0.10 H ATOM 251 HB3 LYS S 17 8.349 -4.785 1.883 1.00 0.11 H ATOM 252 HG2 LYS S 17 6.206 -2.729 1.420 1.00 0.10 H ATOM 253 HG3 LYS S 17 6.307 -3.740 2.864 1.00 0.11 H ATOM 254 HD2 LYS S 17 8.593 -2.856 3.265 1.00 0.14 H ATOM 255 HD3 LYS S 17 8.379 -1.774 1.888 1.00 0.10 H ATOM 256 HE2 LYS S 17 6.455 -0.743 3.003 1.00 1.01 H ATOM 257 HE3 LYS S 17 6.679 -1.820 4.380 1.00 0.97 H ATOM 258 HZ1 LYS S 17 8.642 0.195 3.428 1.00 1.77 H ATOM 259 HZ2 LYS S 17 7.648 0.355 4.786 1.00 1.96 H ATOM 260 HZ3 LYS S 17 8.852 -0.834 4.753 1.00 2.03 H ATOM 261 N ASP S 18 8.825 -5.760 -1.345 1.00 0.09 N ATOM 262 CA ASP S 18 9.736 -6.749 -1.892 1.00 0.10 C ATOM 263 C ASP S 18 10.508 -6.154 -3.061 1.00 0.11 C ATOM 264 O ASP S 18 11.662 -6.476 -3.287 1.00 0.13 O ATOM 265 CB ASP S 18 8.977 -7.999 -2.340 1.00 0.11 C ATOM 266 CG ASP S 18 8.448 -8.805 -1.169 1.00 1.10 C ATOM 267 OD1 ASP S 18 7.214 -8.837 -0.978 1.00 2.14 O ATOM 268 OD2 ASP S 18 9.267 -9.406 -0.443 1.00 0.95 O ATOM 269 H ASP S 18 7.877 -5.771 -1.596 1.00 0.09 H ATOM 270 HA ASP S 18 10.435 -7.017 -1.114 1.00 0.11 H ATOM 271 HB2 ASP S 18 8.141 -7.703 -2.955 1.00 0.81 H ATOM 272 HB3 ASP S 18 9.639 -8.629 -2.916 1.00 0.79 H ATOM 273 N ASN S 19 9.893 -5.192 -3.724 1.00 0.11 N ATOM 274 CA ASN S 19 10.536 -4.603 -4.892 1.00 0.13 C ATOM 275 C ASN S 19 11.448 -3.449 -4.496 1.00 0.13 C ATOM 276 O ASN S 19 12.693 -3.557 -4.540 1.00 0.14 O ATOM 277 CB ASN S 19 9.488 -4.122 -5.898 1.00 0.14 C ATOM 278 CG ASN S 19 8.814 -5.267 -6.632 1.00 1.11 C ATOM 279 OD1 ASN S 19 7.653 -5.166 -7.031 1.00 2.00 O ATOM 280 ND2 ASN S 19 9.539 -6.366 -6.815 1.00 1.74 N ATOM 281 H ASN S 19 9.116 -4.790 -3.289 1.00 0.10 H ATOM 282 HA ASN S 19 11.136 -5.371 -5.356 1.00 0.14 H ATOM 283 HB2 ASN S 19 8.729 -3.558 -5.377 1.00 0.73 H ATOM 284 HB3 ASN S 19 9.966 -3.483 -6.628 1.00 0.83 H ATOM 285 HD21 ASN S 19 10.457 -6.378 -6.473 1.00 2.04 H ATOM 286 HD22 ASN S 19 9.125 -7.120 -7.284 1.00 2.33 H ATOM 287 N VAL S 20 10.830 -2.395 -3.985 1.00 0.12 N ATOM 288 CA VAL S 20 11.563 -1.208 -3.604 1.00 0.13 C ATOM 289 C VAL S 20 12.152 -1.328 -2.222 1.00 0.12 C ATOM 290 O VAL S 20 13.220 -0.792 -1.971 1.00 0.12 O ATOM 291 CB VAL S 20 10.693 0.056 -3.647 1.00 0.15 C ATOM 292 CG1 VAL S 20 11.574 1.294 -3.640 1.00 0.15 C ATOM 293 CG2 VAL S 20 9.786 0.049 -4.861 1.00 0.19 C ATOM 294 H VAL S 20 9.858 -2.421 -3.862 1.00 0.12 H ATOM 295 HA VAL S 20 12.368 -1.080 -4.312 1.00 0.14 H ATOM 296 HB VAL S 20 10.076 0.076 -2.760 1.00 0.15 H ATOM 297 N HIS S 21 11.496 -2.047 -1.322 1.00 0.11 N ATOM 298 CA HIS S 21 12.029 -2.150 0.016 1.00 0.11 C ATOM 299 C HIS S 21 13.084 -3.233 0.074 1.00 0.11 C ATOM 300 O HIS S 21 14.021 -3.119 0.860 1.00 0.12 O ATOM 301 CB HIS S 21 10.943 -2.395 1.060 1.00 0.12 C ATOM 302 CG HIS S 21 11.231 -1.760 2.385 1.00 0.16 C ATOM 303 ND1 HIS S 21 11.115 -2.433 3.584 1.00 1.17 N ATOM 304 CD2 HIS S 21 11.622 -0.501 2.700 1.00 1.00 C ATOM 305 CE1 HIS S 21 11.421 -1.617 4.577 1.00 0.89 C ATOM 306 NE2 HIS S 21 11.734 -0.439 4.067 1.00 0.52 N ATOM 307 H HIS S 21 10.722 -2.591 -1.576 1.00 0.11 H ATOM 308 HA HIS S 21 12.508 -1.207 0.238 1.00 0.11 H ATOM 309 HB2 HIS S 21 10.008 -2.000 0.697 1.00 0.15 H ATOM 310 HB3 HIS S 21 10.845 -3.459 1.219 1.00 0.13 H ATOM 311 HD1 HIS S 21 10.849 -3.370 3.691 1.00 2.05 H ATOM 312 HD2 HIS S 21 11.811 0.304 2.003 1.00 2.02 H ATOM 313 HE1 HIS S 21 11.417 -1.869 5.627 1.00 1.57 H ATOM 314 HE2 HIS S 21 12.093 0.318 4.575 1.00 0.98 H ATOM 315 N ASP S 22 12.965 -4.296 -0.746 1.00 0.12 N ATOM 316 CA ASP S 22 13.994 -5.305 -0.703 1.00 0.14 C ATOM 317 C ASP S 22 15.313 -4.623 -0.973 1.00 0.14 C ATOM 318 O ASP S 22 16.205 -4.658 -0.123 1.00 0.15 O ATOM 319 CB ASP S 22 13.742 -6.423 -1.699 1.00 0.16 C ATOM 320 CG ASP S 22 14.738 -7.559 -1.563 1.00 0.19 C ATOM 321 OD1 ASP S 22 14.434 -8.529 -0.838 1.00 0.26 O ATOM 322 OD2 ASP S 22 15.819 -7.479 -2.183 1.00 0.24 O ATOM 323 H ASP S 22 12.198 -4.393 -1.367 1.00 0.11 H ATOM 324 HA ASP S 22 14.014 -5.711 0.301 1.00 0.15 H ATOM 325 HB2 ASP S 22 12.748 -6.815 -1.531 1.00 0.16 H ATOM 326 HB3 ASP S 22 13.806 -6.027 -2.702 1.00 0.15 H ATOM 327 N LYS S 23 15.469 -3.988 -2.149 1.00 0.14 N ATOM 328 CA LYS S 23 16.697 -3.252 -2.415 1.00 0.16 C ATOM 329 C LYS S 23 17.027 -2.239 -1.325 1.00 0.12 C ATOM 330 O LYS S 23 18.190 -2.091 -0.951 1.00 0.14 O ATOM 331 CB LYS S 23 16.557 -2.518 -3.750 1.00 0.20 C ATOM 332 CG LYS S 23 15.329 -1.620 -3.809 1.00 0.28 C ATOM 333 CD LYS S 23 14.929 -1.294 -5.240 1.00 0.71 C ATOM 334 CE LYS S 23 15.746 -0.146 -5.807 1.00 0.31 C ATOM 335 NZ LYS S 23 15.386 0.146 -7.222 1.00 0.74 N ATOM 336 H LYS S 23 14.901 -4.131 -2.946 1.00 0.14 H ATOM 337 HA LYS S 23 17.504 -3.961 -2.493 1.00 0.21 H ATOM 338 HB2 LYS S 23 17.433 -1.906 -3.909 1.00 0.18 H ATOM 339 HB3 LYS S 23 16.484 -3.244 -4.546 1.00 0.29 H ATOM 340 HG2 LYS S 23 14.506 -2.123 -3.324 1.00 0.78 H ATOM 341 HG3 LYS S 23 15.545 -0.697 -3.286 1.00 0.89 H ATOM 342 HD2 LYS S 23 15.083 -2.168 -5.854 1.00 1.40 H ATOM 343 HD3 LYS S 23 13.884 -1.020 -5.256 1.00 1.45 H ATOM 344 HE2 LYS S 23 15.564 0.736 -5.209 1.00 0.28 H ATOM 345 HE3 LYS S 23 16.793 -0.407 -5.756 1.00 0.31 H ATOM 346 HZ1 LYS S 23 14.380 0.400 -7.289 1.00 1.09 H ATOM 347 HZ2 LYS S 23 15.959 0.937 -7.580 1.00 1.32 H ATOM 348 HZ3 LYS S 23 15.562 -0.689 -7.815 1.00 1.19 H ATOM 349 N ILE S 24 16.018 -1.534 -0.815 1.00 0.09 N ATOM 350 CA ILE S 24 16.249 -0.515 0.198 1.00 0.08 C ATOM 351 C ILE S 24 16.843 -1.064 1.491 1.00 0.09 C ATOM 352 O ILE S 24 17.985 -0.756 1.816 1.00 0.10 O ATOM 353 CB ILE S 24 14.940 0.224 0.536 1.00 0.09 C ATOM 354 CG1 ILE S 24 14.535 1.171 -0.592 1.00 0.09 C ATOM 355 CG2 ILE S 24 15.096 0.994 1.824 1.00 0.12 C ATOM 356 CD1 ILE S 24 13.158 1.785 -0.409 1.00 0.11 C ATOM 357 H ILE S 24 15.099 -1.677 -1.121 1.00 0.09 H ATOM 358 HA ILE S 24 16.937 0.204 -0.216 1.00 0.09 H ATOM 359 HB ILE S 24 14.164 -0.510 0.676 1.00 0.10 H ATOM 360 HD11 ILE S 24 12.474 1.032 -0.048 1.00 0.88 H ATOM 361 HD12 ILE S 24 13.213 2.595 0.305 1.00 0.84 H ATOM 362 HD13 ILE S 24 12.803 2.166 -1.356 1.00 0.88 H ATOM 363 N GLN S 25 16.077 -1.875 2.224 1.00 0.10 N ATOM 364 CA GLN S 25 16.560 -2.427 3.490 1.00 0.13 C ATOM 365 C GLN S 25 18.047 -2.730 3.375 1.00 0.14 C ATOM 366 O GLN S 25 18.864 -2.292 4.186 1.00 0.15 O ATOM 367 CB GLN S 25 15.787 -3.700 3.854 1.00 0.14 C ATOM 368 CG GLN S 25 14.275 -3.520 3.870 1.00 0.14 C ATOM 369 CD GLN S 25 13.578 -4.525 4.767 1.00 0.34 C ATOM 370 OE1 GLN S 25 14.141 -4.986 5.759 1.00 1.19 O ATOM 371 NE2 GLN S 25 12.342 -4.866 4.421 1.00 1.09 N ATOM 372 H GLN S 25 15.160 -2.058 1.935 1.00 0.10 H ATOM 373 HA GLN S 25 16.407 -1.686 4.257 1.00 0.14 H ATOM 374 HB2 GLN S 25 16.026 -4.471 3.137 1.00 0.14 H ATOM 375 HB3 GLN S 25 16.098 -4.026 4.836 1.00 0.16 H ATOM 376 HG2 GLN S 25 14.043 -2.524 4.217 1.00 0.20 H ATOM 377 HG3 GLN S 25 13.903 -3.645 2.862 1.00 0.18 H ATOM 378 HE21 GLN S 25 11.955 -4.458 3.617 1.00 1.83 H ATOM 379 HE22 GLN S 25 11.865 -5.513 4.983 1.00 1.13 H ATOM 380 N GLU S 26 18.363 -3.497 2.358 1.00 0.14 N ATOM 381 CA GLU S 26 19.745 -3.843 2.080 1.00 0.16 C ATOM 382 C GLU S 26 20.618 -2.578 1.946 1.00 0.15 C ATOM 383 O GLU S 26 21.522 -2.353 2.751 1.00 0.17 O ATOM 384 CB GLU S 26 19.837 -4.677 0.801 1.00 0.17 C ATOM 385 CG GLU S 26 21.259 -5.065 0.427 1.00 0.71 C ATOM 386 CD GLU S 26 21.967 -5.827 1.530 1.00 1.33 C ATOM 387 OE1 GLU S 26 21.783 -7.059 1.613 1.00 1.09 O ATOM 388 OE2 GLU S 26 22.706 -5.190 2.311 1.00 2.39 O ATOM 389 H GLU S 26 17.605 -3.889 1.872 1.00 0.14 H ATOM 390 HA GLU S 26 20.111 -4.431 2.908 1.00 0.18 H ATOM 391 HB2 GLU S 26 19.263 -5.583 0.934 1.00 0.59 H ATOM 392 HB3 GLU S 26 19.414 -4.111 -0.017 1.00 0.55 H ATOM 393 HG2 GLU S 26 21.229 -5.685 -0.455 1.00 1.38 H ATOM 394 HG3 GLU S 26 21.818 -4.165 0.214 1.00 1.31 H ATOM 395 N LEU S 27 20.337 -1.765 0.926 1.00 0.14 N ATOM 396 CA LEU S 27 21.109 -0.540 0.646 1.00 0.14 C ATOM 397 C LEU S 27 20.576 0.767 1.269 1.00 0.12 C ATOM 398 O LEU S 27 21.257 1.430 2.052 1.00 0.13 O ATOM 399 CB LEU S 27 21.164 -0.330 -0.863 1.00 0.15 C ATOM 400 CG LEU S 27 21.537 -1.561 -1.685 1.00 0.20 C ATOM 401 CD1 LEU S 27 21.227 -1.316 -3.150 1.00 0.47 C ATOM 402 CD2 LEU S 27 23.008 -1.905 -1.499 1.00 0.61 C ATOM 403 H LEU S 27 19.592 -1.995 0.333 1.00 0.13 H ATOM 404 HA LEU S 27 22.114 -0.702 0.996 1.00 0.16 H ATOM 405 HB2 LEU S 27 20.191 0.015 -1.189 1.00 0.13 H ATOM 406 HB3 LEU S 27 21.883 0.445 -1.067 1.00 0.18 H ATOM 407 HG LEU S 27 20.947 -2.403 -1.354 1.00 0.55 H ATOM 408 HD11 LEU S 27 20.283 -0.799 -3.229 1.00 1.08 H ATOM 409 HD12 LEU S 27 22.007 -0.712 -3.589 1.00 1.28 H ATOM 410 HD13 LEU S 27 21.165 -2.261 -3.670 1.00 1.07 H ATOM 411 HD21 LEU S 27 23.204 -2.089 -0.454 1.00 1.18 H ATOM 412 HD22 LEU S 27 23.245 -2.791 -2.072 1.00 1.32 H ATOM 413 HD23 LEU S 27 23.616 -1.082 -1.841 1.00 1.20 H ATOM 414 N LYS S 28 19.347 1.104 0.893 1.00 0.11 N ATOM 415 CA LYS S 28 18.675 2.374 1.227 1.00 0.11 C ATOM 416 C LYS S 28 18.007 2.469 2.607 1.00 0.12 C ATOM 417 O LYS S 28 17.551 3.550 2.974 1.00 0.14 O ATOM 418 CB LYS S 28 17.617 2.669 0.173 1.00 0.12 C ATOM 419 CG LYS S 28 18.165 2.824 -1.231 1.00 0.14 C ATOM 420 CD LYS S 28 18.030 1.534 -2.016 1.00 0.13 C ATOM 421 CE LYS S 28 18.387 1.731 -3.480 1.00 0.21 C ATOM 422 NZ LYS S 28 18.355 0.450 -4.236 1.00 1.31 N ATOM 423 H LYS S 28 18.806 0.437 0.421 1.00 0.10 H ATOM 424 HA LYS S 28 19.422 3.152 1.163 1.00 0.13 H ATOM 425 HB2 LYS S 28 16.903 1.863 0.165 1.00 0.10 H ATOM 426 HB3 LYS S 28 17.110 3.575 0.439 1.00 0.14 H ATOM 427 HG2 LYS S 28 17.614 3.603 -1.737 1.00 0.17 H ATOM 428 HG3 LYS S 28 19.209 3.095 -1.173 1.00 0.16 H ATOM 429 HD2 LYS S 28 18.691 0.794 -1.590 1.00 0.14 H ATOM 430 HD3 LYS S 28 17.008 1.189 -1.943 1.00 0.12 H ATOM 431 HE2 LYS S 28 17.678 2.416 -3.921 1.00 1.09 H ATOM 432 HE3 LYS S 28 19.379 2.151 -3.542 1.00 0.98 H ATOM 433 HZ1 LYS S 28 17.441 -0.027 -4.094 1.00 1.96 H ATOM 434 HZ2 LYS S 28 18.485 0.630 -5.252 1.00 1.89 H ATOM 435 HZ3 LYS S 28 19.115 -0.178 -3.906 1.00 1.54 H ATOM 436 N ASP S 29 17.914 1.371 3.343 1.00 0.12 N ATOM 437 CA ASP S 29 17.169 1.337 4.615 1.00 0.14 C ATOM 438 C ASP S 29 17.219 2.624 5.456 1.00 0.17 C ATOM 439 O ASP S 29 16.315 2.847 6.262 1.00 0.19 O ATOM 440 CB ASP S 29 17.681 0.186 5.478 1.00 0.16 C ATOM 441 CG ASP S 29 19.114 0.394 5.930 1.00 1.17 C ATOM 442 OD1 ASP S 29 20.033 -0.020 5.194 1.00 2.17 O ATOM 443 OD2 ASP S 29 19.314 0.974 7.017 1.00 1.10 O ATOM 444 H ASP S 29 18.404 0.570 3.071 1.00 0.12 H ATOM 445 HA ASP S 29 16.138 1.136 4.372 1.00 0.14 H ATOM 446 HB2 ASP S 29 17.058 0.095 6.355 1.00 0.90 H ATOM 447 HB3 ASP S 29 17.632 -0.729 4.914 1.00 0.91 H ATOM 448 N ASP S 30 18.233 3.470 5.304 1.00 0.18 N ATOM 449 CA ASP S 30 18.275 4.692 6.113 1.00 0.21 C ATOM 450 C ASP S 30 17.537 5.861 5.439 1.00 0.22 C ATOM 451 O ASP S 30 16.439 6.241 5.844 1.00 0.23 O ATOM 452 CB ASP S 30 19.727 5.088 6.392 1.00 0.23 C ATOM 453 CG ASP S 30 19.833 6.391 7.162 1.00 1.12 C ATOM 454 OD1 ASP S 30 19.749 6.353 8.407 1.00 1.04 O ATOM 455 OD2 ASP S 30 19.997 7.448 6.519 1.00 2.14 O ATOM 456 H ASP S 30 18.890 3.324 4.596 1.00 0.16 H ATOM 457 HA ASP S 30 17.789 4.477 7.053 1.00 0.23 H ATOM 458 HB2 ASP S 30 20.201 4.311 6.972 1.00 1.01 H ATOM 459 HB3 ASP S 30 20.250 5.202 5.454 1.00 0.89 H ATOM 460 N VAL S 31 18.171 6.417 4.408 1.00 0.21 N ATOM 461 CA VAL S 31 17.603 7.541 3.651 1.00 0.23 C ATOM 462 C VAL S 31 16.703 7.095 2.500 1.00 0.21 C ATOM 463 O VAL S 31 15.525 7.445 2.429 1.00 0.23 O ATOM 464 CB VAL S 31 18.736 8.421 3.080 1.00 0.24 C ATOM 465 CG1 VAL S 31 19.823 7.566 2.431 1.00 1.32 C ATOM 466 CG2 VAL S 31 18.192 9.445 2.094 1.00 1.26 C ATOM 467 H VAL S 31 19.101 6.149 4.271 1.00 0.20 H ATOM 468 HA VAL S 31 17.024 8.145 4.334 1.00 0.25 H ATOM 469 HB VAL S 31 19.185 8.949 3.898 1.00 1.09 H ATOM 470 N GLY S 32 17.297 6.337 1.609 1.00 0.19 N ATOM 471 CA GLY S 32 16.586 5.831 0.446 1.00 0.18 C ATOM 472 C GLY S 32 15.321 5.073 0.824 1.00 0.17 C ATOM 473 O GLY S 32 14.466 4.811 -0.022 1.00 0.18 O ATOM 474 H GLY S 32 18.244 6.149 1.767 1.00 0.18 H ATOM 475 HA2 GLY S 32 17.238 5.171 -0.102 1.00 0.17 H ATOM 476 HA3 GLY S 32 16.317 6.663 -0.188 1.00 0.21 H ATOM 477 N ASN S 33 15.225 4.708 2.100 1.00 0.18 N ATOM 478 CA ASN S 33 14.082 3.955 2.623 1.00 0.19 C ATOM 479 C ASN S 33 12.733 4.594 2.324 1.00 0.23 C ATOM 480 O ASN S 33 11.695 4.016 2.647 1.00 0.26 O ATOM 481 CB ASN S 33 14.229 3.733 4.129 1.00 0.23 C ATOM 482 CG ASN S 33 13.898 4.971 4.944 1.00 1.14 C ATOM 483 OD1 ASN S 33 13.423 4.871 6.076 1.00 2.05 O ATOM 484 ND2 ASN S 33 14.146 6.144 4.376 1.00 1.79 N ATOM 485 H ASN S 33 15.975 4.925 2.693 1.00 0.18 H ATOM 486 HA ASN S 33 14.091 2.999 2.138 1.00 0.17 H ATOM 487 HB2 ASN S 33 13.563 2.939 4.433 1.00 0.87 H ATOM 488 HB3 ASN S 33 15.248 3.445 4.344 1.00 0.97 H ATOM 489 HD21 ASN S 33 14.525 6.148 3.473 1.00 2.06 H ATOM 490 HD22 ASN S 33 13.940 6.956 4.882 1.00 2.43 H ATOM 491 N LYS S 34 12.725 5.767 1.716 1.00 0.25 N ATOM 492 CA LYS S 34 11.465 6.408 1.384 1.00 0.30 C ATOM 493 C LYS S 34 10.966 5.885 0.043 1.00 0.28 C ATOM 494 O LYS S 34 9.765 5.738 -0.176 1.00 0.43 O ATOM 495 CB LYS S 34 11.617 7.927 1.341 1.00 0.35 C ATOM 496 CG LYS S 34 10.437 8.680 1.939 1.00 0.71 C ATOM 497 CD LYS S 34 9.139 8.376 1.210 1.00 0.43 C ATOM 498 CE LYS S 34 7.933 8.880 1.985 1.00 0.74 C ATOM 499 NZ LYS S 34 8.023 10.339 2.264 1.00 1.04 N ATOM 500 H LYS S 34 13.565 6.192 1.452 1.00 0.24 H ATOM 501 HA LYS S 34 10.754 6.145 2.146 1.00 0.33 H ATOM 502 HB2 LYS S 34 12.503 8.198 1.892 1.00 0.54 H ATOM 503 HB3 LYS S 34 11.732 8.235 0.315 1.00 0.45 H ATOM 504 HG2 LYS S 34 10.329 8.397 2.974 1.00 1.35 H ATOM 505 HG3 LYS S 34 10.633 9.741 1.874 1.00 1.36 H ATOM 506 HD2 LYS S 34 9.158 8.856 0.244 1.00 1.09 H ATOM 507 HD3 LYS S 34 9.051 7.307 1.082 1.00 1.10 H ATOM 508 HE2 LYS S 34 7.042 8.687 1.404 1.00 0.96 H ATOM 509 HE3 LYS S 34 7.876 8.344 2.921 1.00 0.96 H ATOM 510 HZ1 LYS S 34 8.878 10.546 2.818 1.00 1.17 H ATOM 511 HZ2 LYS S 34 8.066 10.872 1.371 1.00 1.30 H ATOM 512 HZ3 LYS S 34 7.189 10.653 2.800 1.00 1.60 H ATOM 513 N ALA S 35 11.919 5.585 -0.836 1.00 0.19 N ATOM 514 CA ALA S 35 11.631 5.074 -2.172 1.00 0.19 C ATOM 515 C ALA S 35 10.471 4.083 -2.177 1.00 0.16 C ATOM 516 O ALA S 35 9.617 4.131 -3.063 1.00 0.18 O ATOM 517 CB ALA S 35 12.882 4.435 -2.752 1.00 0.24 C ATOM 518 H ALA S 35 12.853 5.732 -0.582 1.00 0.24 H ATOM 519 HA ALA S 35 11.368 5.913 -2.796 1.00 0.21 H ATOM 520 HB1 ALA S 35 13.525 5.203 -3.157 1.00 0.96 H ATOM 521 HB2 ALA S 35 13.407 3.900 -1.973 1.00 1.04 H ATOM 522 HB3 ALA S 35 12.605 3.748 -3.537 1.00 0.96 H ATOM 523 N ALA S 36 10.433 3.185 -1.197 1.00 0.12 N ATOM 524 CA ALA S 36 9.350 2.209 -1.123 1.00 0.13 C ATOM 525 C ALA S 36 8.039 2.921 -0.826 1.00 0.21 C ATOM 526 O ALA S 36 7.119 2.906 -1.643 1.00 0.59 O ATOM 527 CB ALA S 36 9.649 1.141 -0.073 1.00 0.20 C ATOM 528 H ALA S 36 11.128 3.186 -0.507 1.00 0.13 H ATOM 529 HA ALA S 36 9.270 1.730 -2.089 1.00 0.16 H ATOM 530 HB1 ALA S 36 10.708 0.929 -0.069 1.00 0.98 H ATOM 531 HB2 ALA S 36 9.102 0.233 -0.305 1.00 0.96 H ATOM 532 HB3 ALA S 36 9.352 1.501 0.900 1.00 1.13 H ATOM 533 N GLU S 37 7.956 3.529 0.357 1.00 0.32 N ATOM 534 CA GLU S 37 6.774 4.285 0.763 1.00 0.32 C ATOM 535 C GLU S 37 6.268 5.204 -0.348 1.00 0.23 C ATOM 536 O GLU S 37 5.102 5.602 -0.347 1.00 0.21 O ATOM 537 CB GLU S 37 7.091 5.107 2.012 1.00 0.42 C ATOM 538 CG GLU S 37 7.498 4.255 3.202 1.00 0.46 C ATOM 539 CD GLU S 37 6.348 3.438 3.757 1.00 1.23 C ATOM 540 OE1 GLU S 37 6.069 2.353 3.205 1.00 2.24 O ATOM 541 OE2 GLU S 37 5.726 3.882 4.745 1.00 1.13 O ATOM 542 H GLU S 37 8.667 3.403 1.019 1.00 0.74 H ATOM 543 HA GLU S 37 6.002 3.576 1.004 1.00 0.36 H ATOM 544 HB2 GLU S 37 7.900 5.787 1.788 1.00 0.45 H ATOM 545 HB3 GLU S 37 6.216 5.678 2.286 1.00 0.51 H ATOM 546 HG2 GLU S 37 8.279 3.580 2.890 1.00 0.93 H ATOM 547 HG3 GLU S 37 7.871 4.903 3.981 1.00 0.95 H ATOM 548 N VAL S 38 7.137 5.535 -1.300 1.00 0.25 N ATOM 549 CA VAL S 38 6.754 6.408 -2.402 1.00 0.25 C ATOM 550 C VAL S 38 5.910 5.644 -3.415 1.00 0.21 C ATOM 551 O VAL S 38 4.807 6.067 -3.763 1.00 0.18 O ATOM 552 CB VAL S 38 7.986 7.002 -3.109 1.00 0.36 C ATOM 553 CG1 VAL S 38 7.565 7.834 -4.312 1.00 0.39 C ATOM 554 CG2 VAL S 38 8.802 7.840 -2.137 1.00 0.45 C ATOM 555 H VAL S 38 8.040 5.151 -1.289 1.00 0.31 H ATOM 556 HA VAL S 38 6.166 7.219 -1.997 1.00 0.24 H ATOM 557 HB VAL S 38 8.605 6.189 -3.459 1.00 0.38 H ATOM 558 N ARG S 39 6.446 4.529 -3.903 1.00 0.25 N ATOM 559 CA ARG S 39 5.726 3.697 -4.859 1.00 0.30 C ATOM 560 C ARG S 39 4.343 3.344 -4.317 1.00 0.31 C ATOM 561 O ARG S 39 3.381 3.187 -5.075 1.00 0.37 O ATOM 562 CB ARG S 39 6.528 2.426 -5.160 1.00 0.41 C ATOM 563 CG ARG S 39 5.975 1.605 -6.317 1.00 0.53 C ATOM 564 CD ARG S 39 4.944 0.586 -5.852 1.00 0.36 C ATOM 565 NE ARG S 39 4.473 -0.254 -6.952 1.00 0.63 N ATOM 566 CZ ARG S 39 3.710 -1.331 -6.786 1.00 0.88 C ATOM 567 NH1 ARG S 39 3.323 -1.694 -5.571 1.00 1.02 N ATOM 568 NH2 ARG S 39 3.331 -2.043 -7.839 1.00 1.24 N ATOM 569 H ARG S 39 7.365 4.287 -3.648 1.00 0.28 H ATOM 570 HA ARG S 39 5.609 4.264 -5.771 1.00 0.33 H ATOM 571 HB2 ARG S 39 7.540 2.707 -5.402 1.00 0.68 H ATOM 572 HB3 ARG S 39 6.541 1.803 -4.277 1.00 0.58 H ATOM 573 HG2 ARG S 39 5.509 2.271 -7.026 1.00 0.91 H ATOM 574 HG3 ARG S 39 6.791 1.083 -6.795 1.00 1.03 H ATOM 575 HD2 ARG S 39 5.392 -0.043 -5.099 1.00 0.67 H ATOM 576 HD3 ARG S 39 4.102 1.112 -5.428 1.00 0.36 H ATOM 577 HE ARG S 39 4.743 -0.004 -7.861 1.00 0.86 H ATOM 578 HH11 ARG S 39 3.605 -1.160 -4.774 1.00 0.99 H ATOM 579 HH12 ARG S 39 2.748 -2.504 -5.451 1.00 1.33 H ATOM 580 HH21 ARG S 39 3.621 -1.771 -8.756 1.00 1.39 H ATOM 581 HH22 ARG S 39 2.758 -2.853 -7.714 1.00 1.46 H ATOM 582 N ASP S 40 4.245 3.244 -2.995 1.00 0.31 N ATOM 583 CA ASP S 40 2.985 2.915 -2.344 1.00 0.37 C ATOM 584 C ASP S 40 2.077 4.137 -2.274 1.00 0.32 C ATOM 585 O ASP S 40 0.857 4.011 -2.169 1.00 0.39 O ATOM 586 CB ASP S 40 3.244 2.373 -0.936 1.00 0.46 C ATOM 587 CG ASP S 40 1.964 1.996 -0.217 1.00 0.57 C ATOM 588 OD1 ASP S 40 1.383 2.871 0.459 1.00 0.54 O ATOM 589 OD2 ASP S 40 1.541 0.826 -0.332 1.00 0.71 O ATOM 590 H ASP S 40 5.037 3.405 -2.440 1.00 0.33 H ATOM 591 HA ASP S 40 2.500 2.150 -2.931 1.00 0.45 H ATOM 592 HB2 ASP S 40 3.869 1.494 -1.004 1.00 0.52 H ATOM 593 HB3 ASP S 40 3.755 3.127 -0.354 1.00 0.42 H ATOM 594 N ALA S 41 2.682 5.321 -2.326 1.00 0.24 N ATOM 595 CA ALA S 41 1.929 6.569 -2.277 1.00 0.24 C ATOM 596 C ALA S 41 0.976 6.674 -3.461 1.00 0.25 C ATOM 597 O ALA S 41 -0.229 6.855 -3.288 1.00 0.28 O ATOM 598 CB ALA S 41 2.877 7.758 -2.251 1.00 0.26 C ATOM 599 H ALA S 41 3.659 5.356 -2.395 1.00 0.22 H ATOM 600 HA ALA S 41 1.355 6.576 -1.362 1.00 0.24 H ATOM 601 HB1 ALA S 41 3.413 7.811 -3.187 1.00 0.99 H ATOM 602 HB2 ALA S 41 3.581 7.640 -1.440 1.00 0.90 H ATOM 603 HB3 ALA S 41 2.312 8.667 -2.107 1.00 0.97 H ATOM 604 N VAL S 42 1.527 6.560 -4.667 1.00 0.25 N ATOM 605 CA VAL S 42 0.727 6.633 -5.887 1.00 0.29 C ATOM 606 C VAL S 42 -0.341 5.546 -5.901 1.00 0.29 C ATOM 607 O VAL S 42 -1.514 5.808 -6.186 1.00 0.29 O ATOM 608 CB VAL S 42 1.604 6.486 -7.143 1.00 0.34 C ATOM 609 CG1 VAL S 42 2.309 7.795 -7.457 1.00 0.36 C ATOM 610 CG2 VAL S 42 2.614 5.364 -6.969 1.00 0.35 C ATOM 611 H VAL S 42 2.496 6.425 -4.738 1.00 0.25 H ATOM 612 HA VAL S 42 0.248 7.601 -5.916 1.00 0.30 H ATOM 613 HB VAL S 42 0.963 6.236 -7.972 1.00 0.39 H ATOM 614 N SER S 43 0.078 4.327 -5.588 1.00 0.30 N ATOM 615 CA SER S 43 -0.840 3.194 -5.549 1.00 0.32 C ATOM 616 C SER S 43 -2.037 3.529 -4.661 1.00 0.28 C ATOM 617 O SER S 43 -3.190 3.381 -5.062 1.00 0.27 O ATOM 618 CB SER S 43 -0.126 1.947 -5.026 1.00 0.34 C ATOM 619 OG SER S 43 -0.990 0.824 -5.036 1.00 1.24 O ATOM 620 H SER S 43 1.027 4.204 -5.366 1.00 0.31 H ATOM 621 HA SER S 43 -1.190 3.010 -6.555 1.00 0.35 H ATOM 622 HB2 SER S 43 0.728 1.735 -5.651 1.00 1.03 H ATOM 623 HB3 SER S 43 0.203 2.123 -4.012 1.00 1.02 H ATOM 624 HG SER S 43 -0.670 0.168 -4.412 1.00 1.72 H ATOM 625 N SER S 44 -1.732 3.973 -3.445 1.00 0.27 N ATOM 626 CA SER S 44 -2.751 4.357 -2.470 1.00 0.25 C ATOM 627 C SER S 44 -3.792 5.297 -3.078 1.00 0.22 C ATOM 628 O SER S 44 -4.985 5.174 -2.795 1.00 0.21 O ATOM 629 CB SER S 44 -2.094 5.024 -1.260 1.00 0.26 C ATOM 630 OG SER S 44 -3.067 5.464 -0.327 1.00 1.31 O ATOM 631 H SER S 44 -0.789 4.000 -3.188 1.00 0.29 H ATOM 632 HA SER S 44 -3.248 3.455 -2.143 1.00 0.27 H ATOM 633 HB2 SER S 44 -1.443 4.315 -0.771 1.00 0.92 H ATOM 634 HB3 SER S 44 -1.517 5.875 -1.589 1.00 1.02 H ATOM 635 HG SER S 44 -3.933 5.148 -0.595 1.00 1.65 H ATOM 636 N THR S 45 -3.341 6.234 -3.912 1.00 0.22 N ATOM 637 CA THR S 45 -4.246 7.189 -4.549 1.00 0.22 C ATOM 638 C THR S 45 -5.318 6.463 -5.356 1.00 0.21 C ATOM 639 O THR S 45 -6.484 6.866 -5.374 1.00 0.19 O ATOM 640 CB THR S 45 -3.486 8.159 -5.475 1.00 0.26 C ATOM 641 OG1 THR S 45 -2.458 8.835 -4.739 1.00 0.74 O ATOM 642 CG2 THR S 45 -4.433 9.181 -6.086 1.00 0.81 C ATOM 643 H THR S 45 -2.382 6.282 -4.106 1.00 0.24 H ATOM 644 HA THR S 45 -4.724 7.767 -3.770 1.00 0.21 H ATOM 645 HB THR S 45 -3.032 7.589 -6.273 1.00 0.63 H ATOM 646 HG1 THR S 45 -1.626 8.765 -5.214 1.00 1.32 H ATOM 647 HG21 THR S 45 -4.924 9.733 -5.298 1.00 1.30 H ATOM 648 HG22 THR S 45 -3.874 9.863 -6.709 1.00 1.54 H ATOM 649 HG23 THR S 45 -5.174 8.672 -6.684 1.00 1.36 H ATOM 650 N VAL S 46 -4.912 5.382 -6.009 1.00 0.24 N ATOM 651 CA VAL S 46 -5.833 4.587 -6.811 1.00 0.25 C ATOM 652 C VAL S 46 -6.730 3.758 -5.898 1.00 0.23 C ATOM 653 O VAL S 46 -7.948 3.927 -5.881 1.00 0.21 O ATOM 654 CB VAL S 46 -5.079 3.649 -7.773 1.00 0.30 C ATOM 655 CG1 VAL S 46 -6.060 2.832 -8.604 1.00 0.34 C ATOM 656 CG2 VAL S 46 -4.146 4.446 -8.671 1.00 0.32 C ATOM 657 H VAL S 46 -3.972 5.107 -5.918 1.00 0.25 H ATOM 658 HA VAL S 46 -6.446 5.261 -7.393 1.00 0.25 H ATOM 659 HB VAL S 46 -4.483 2.967 -7.185 1.00 0.30 H ATOM 660 N GLU S 47 -6.100 2.852 -5.156 1.00 0.24 N ATOM 661 CA GLU S 47 -6.791 1.990 -4.197 1.00 0.25 C ATOM 662 C GLU S 47 -7.870 2.733 -3.401 1.00 0.19 C ATOM 663 O GLU S 47 -8.812 2.119 -2.894 1.00 0.18 O ATOM 664 CB GLU S 47 -5.779 1.374 -3.238 1.00 0.30 C ATOM 665 CG GLU S 47 -5.229 0.048 -3.720 1.00 0.41 C ATOM 666 CD GLU S 47 -3.882 -0.284 -3.105 1.00 1.37 C ATOM 667 OE1 GLU S 47 -3.784 -0.294 -1.860 1.00 2.44 O ATOM 668 OE2 GLU S 47 -2.929 -0.538 -3.868 1.00 1.32 O ATOM 669 H GLU S 47 -5.143 2.718 -5.316 1.00 0.26 H ATOM 670 HA GLU S 47 -7.260 1.196 -4.745 1.00 0.29 H ATOM 671 HB2 GLU S 47 -4.955 2.058 -3.109 1.00 0.41 H ATOM 672 HB3 GLU S 47 -6.258 1.212 -2.284 1.00 0.28 H ATOM 673 HG2 GLU S 47 -5.932 -0.728 -3.453 1.00 0.58 H ATOM 674 HG3 GLU S 47 -5.122 0.086 -4.794 1.00 1.01 H ATOM 675 N SER S 48 -7.770 4.053 -3.344 1.00 0.17 N ATOM 676 CA SER S 48 -8.724 4.838 -2.574 1.00 0.16 C ATOM 677 C SER S 48 -9.955 5.189 -3.395 1.00 0.17 C ATOM 678 O SER S 48 -11.075 4.821 -3.040 1.00 0.19 O ATOM 679 CB SER S 48 -8.065 6.114 -2.045 1.00 0.20 C ATOM 680 OG SER S 48 -8.961 6.850 -1.231 1.00 1.00 O ATOM 681 H SER S 48 -7.094 4.507 -3.884 1.00 0.18 H ATOM 682 HA SER S 48 -9.034 4.231 -1.740 1.00 0.18 H ATOM 683 HB2 SER S 48 -7.199 5.851 -1.457 1.00 0.93 H ATOM 684 HB3 SER S 48 -7.763 6.732 -2.877 1.00 0.88 H ATOM 685 HG SER S 48 -9.359 7.554 -1.748 1.00 1.35 H ATOM 686 N ILE S 49 -9.746 5.903 -4.493 1.00 0.18 N ATOM 687 CA ILE S 49 -10.846 6.298 -5.360 1.00 0.23 C ATOM 688 C ILE S 49 -11.603 5.091 -5.884 1.00 0.21 C ATOM 689 O ILE S 49 -12.732 5.211 -6.358 1.00 0.25 O ATOM 690 CB ILE S 49 -10.377 7.143 -6.555 1.00 0.30 C ATOM 691 CG1 ILE S 49 -9.120 6.541 -7.193 1.00 0.29 C ATOM 692 CG2 ILE S 49 -10.137 8.577 -6.116 1.00 0.34 C ATOM 693 CD1 ILE S 49 -9.393 5.331 -8.066 1.00 0.32 C ATOM 694 H ILE S 49 -8.830 6.173 -4.719 1.00 0.18 H ATOM 695 HA ILE S 49 -11.523 6.900 -4.772 1.00 0.25 H ATOM 696 HB ILE S 49 -11.174 7.149 -7.283 1.00 0.34 H ATOM 697 HD11 ILE S 49 -10.219 5.543 -8.728 1.00 0.92 H ATOM 698 HD12 ILE S 49 -8.514 5.100 -8.649 1.00 1.02 H ATOM 699 HD13 ILE S 49 -9.644 4.482 -7.442 1.00 1.01 H ATOM 700 N LYS S 50 -10.974 3.931 -5.831 1.00 0.19 N ATOM 701 CA LYS S 50 -11.611 2.733 -6.331 1.00 0.22 C ATOM 702 C LYS S 50 -12.596 2.133 -5.327 1.00 0.20 C ATOM 703 O LYS S 50 -13.783 2.031 -5.630 1.00 0.21 O ATOM 704 CB LYS S 50 -10.565 1.698 -6.752 1.00 0.28 C ATOM 705 CG LYS S 50 -9.619 1.285 -5.644 1.00 0.33 C ATOM 706 CD LYS S 50 -9.254 -0.185 -5.741 1.00 0.36 C ATOM 707 CE LYS S 50 -8.066 -0.410 -6.667 1.00 1.13 C ATOM 708 NZ LYS S 50 -8.377 -0.035 -8.074 1.00 1.59 N ATOM 709 H LYS S 50 -10.070 3.882 -5.453 1.00 0.17 H ATOM 710 HA LYS S 50 -12.170 3.022 -7.207 1.00 0.26 H ATOM 711 HB2 LYS S 50 -11.071 0.816 -7.110 1.00 0.34 H ATOM 712 HB3 LYS S 50 -9.975 2.116 -7.555 1.00 0.36 H ATOM 713 HG2 LYS S 50 -8.720 1.873 -5.725 1.00 0.52 H ATOM 714 HG3 LYS S 50 -10.084 1.469 -4.690 1.00 0.57 H ATOM 715 HD2 LYS S 50 -9.008 -0.552 -4.754 1.00 0.81 H ATOM 716 HD3 LYS S 50 -10.104 -0.726 -6.126 1.00 0.83 H ATOM 717 HE2 LYS S 50 -7.237 0.191 -6.321 1.00 1.86 H ATOM 718 HE3 LYS S 50 -7.792 -1.454 -6.632 1.00 1.65 H ATOM 719 HZ1 LYS S 50 -9.174 -0.604 -8.427 1.00 2.09 H ATOM 720 HZ2 LYS S 50 -8.631 0.970 -8.129 1.00 2.04 H ATOM 721 HZ3 LYS S 50 -7.549 -0.206 -8.680 1.00 1.98 H ATOM 722 N ASP S 51 -12.126 1.730 -4.142 1.00 0.19 N ATOM 723 CA ASP S 51 -13.014 1.117 -3.153 1.00 0.24 C ATOM 724 C ASP S 51 -13.716 2.113 -2.233 1.00 0.24 C ATOM 725 O ASP S 51 -14.891 1.936 -1.915 1.00 0.29 O ATOM 726 CB ASP S 51 -12.249 0.091 -2.324 1.00 0.31 C ATOM 727 CG ASP S 51 -12.636 -1.330 -2.681 1.00 0.76 C ATOM 728 OD1 ASP S 51 -13.791 -1.715 -2.404 1.00 1.03 O ATOM 729 OD2 ASP S 51 -11.788 -2.056 -3.239 1.00 1.06 O ATOM 730 H ASP S 51 -11.172 1.815 -3.924 1.00 0.19 H ATOM 731 HA ASP S 51 -13.777 0.598 -3.706 1.00 0.27 H ATOM 732 HB2 ASP S 51 -11.189 0.212 -2.499 1.00 0.34 H ATOM 733 HB3 ASP S 51 -12.461 0.254 -1.278 1.00 0.38 H ATOM 734 N LYS S 52 -13.012 3.141 -1.784 1.00 0.23 N ATOM 735 CA LYS S 52 -13.626 4.113 -0.885 1.00 0.31 C ATOM 736 C LYS S 52 -14.594 5.004 -1.648 1.00 0.29 C ATOM 737 O LYS S 52 -15.691 5.298 -1.172 1.00 0.31 O ATOM 738 CB LYS S 52 -12.565 4.946 -0.177 1.00 0.41 C ATOM 739 CG LYS S 52 -13.108 5.728 1.009 1.00 0.43 C ATOM 740 CD LYS S 52 -12.251 6.943 1.325 1.00 1.03 C ATOM 741 CE LYS S 52 -12.433 8.040 0.289 1.00 1.73 C ATOM 742 NZ LYS S 52 -13.833 8.551 0.260 1.00 2.23 N ATOM 743 H LYS S 52 -12.086 3.264 -2.079 1.00 0.19 H ATOM 744 HA LYS S 52 -14.185 3.559 -0.144 1.00 0.38 H ATOM 745 HB2 LYS S 52 -11.792 4.281 0.180 1.00 0.54 H ATOM 746 HB3 LYS S 52 -12.136 5.642 -0.881 1.00 0.47 H ATOM 747 HG2 LYS S 52 -14.111 6.058 0.781 1.00 0.85 H ATOM 748 HG3 LYS S 52 -13.129 5.078 1.873 1.00 0.96 H ATOM 749 HD2 LYS S 52 -12.532 7.328 2.295 1.00 1.70 H ATOM 750 HD3 LYS S 52 -11.213 6.646 1.342 1.00 1.54 H ATOM 751 HE2 LYS S 52 -11.768 8.856 0.525 1.00 2.21 H ATOM 752 HE3 LYS S 52 -12.184 7.642 -0.683 1.00 2.28 H ATOM 753 HZ1 LYS S 52 -14.491 7.777 0.037 1.00 2.67 H ATOM 754 HZ2 LYS S 52 -14.087 8.950 1.185 1.00 2.58 H ATOM 755 HZ3 LYS S 52 -13.928 9.291 -0.465 1.00 2.51 H ATOM 756 N LEU S 53 -14.181 5.434 -2.834 1.00 0.27 N ATOM 757 CA LEU S 53 -15.025 6.262 -3.681 1.00 0.30 C ATOM 758 C LEU S 53 -16.019 5.387 -4.409 1.00 0.28 C ATOM 759 O LEU S 53 -16.930 5.873 -5.080 1.00 0.33 O ATOM 760 CB LEU S 53 -14.184 7.017 -4.704 1.00 0.34 C ATOM 761 CG LEU S 53 -13.866 8.462 -4.339 1.00 0.53 C ATOM 762 CD1 LEU S 53 -15.152 9.264 -4.230 1.00 0.66 C ATOM 763 CD2 LEU S 53 -13.081 8.515 -3.039 1.00 0.63 C ATOM 764 H LEU S 53 -13.286 5.186 -3.150 1.00 0.27 H ATOM 765 HA LEU S 53 -15.555 6.966 -3.055 1.00 0.35 H ATOM 766 HB2 LEU S 53 -13.259 6.481 -4.838 1.00 0.30 H ATOM 767 HB3 LEU S 53 -14.713 7.015 -5.642 1.00 0.39 H ATOM 768 HG LEU S 53 -13.260 8.902 -5.118 1.00 0.57 H ATOM 769 HD11 LEU S 53 -15.695 9.197 -5.161 1.00 1.02 H ATOM 770 HD12 LEU S 53 -15.759 8.861 -3.432 1.00 1.48 H ATOM 771 HD13 LEU S 53 -14.919 10.297 -4.020 1.00 1.15 H ATOM 772 HD21 LEU S 53 -13.627 7.987 -2.271 1.00 1.05 H ATOM 773 HD22 LEU S 53 -12.119 8.047 -3.182 1.00 1.27 H ATOM 774 HD23 LEU S 53 -12.943 9.544 -2.742 1.00 1.10 H ATOM 775 N SER S 54 -15.815 4.087 -4.268 1.00 0.24 N ATOM 776 CA SER S 54 -16.660 3.102 -4.913 1.00 0.27 C ATOM 777 C SER S 54 -18.138 3.458 -4.775 1.00 0.32 C ATOM 778 O SER S 54 -18.890 3.424 -5.750 1.00 0.41 O ATOM 779 CB SER S 54 -16.417 1.712 -4.326 1.00 0.28 C ATOM 780 OG SER S 54 -17.224 0.739 -4.965 1.00 0.86 O ATOM 781 H SER S 54 -15.044 3.789 -3.747 1.00 0.22 H ATOM 782 HA SER S 54 -16.386 3.095 -5.952 1.00 0.29 H ATOM 783 HB2 SER S 54 -15.381 1.444 -4.459 1.00 0.69 H ATOM 784 HB3 SER S 54 -16.654 1.722 -3.273 1.00 0.69 H ATOM 785 HG SER S 54 -17.296 0.945 -5.901 1.00 1.22 H ATOM 786 N GLY S 55 -18.546 3.798 -3.556 1.00 0.30 N ATOM 787 CA GLY S 55 -19.931 4.155 -3.307 1.00 0.35 C ATOM 788 C GLY S 55 -20.389 3.751 -1.919 1.00 0.43 C ATOM 789 O GLY S 55 -21.324 4.336 -1.372 1.00 0.52 O ATOM 790 H GLY S 55 -17.901 3.809 -2.820 1.00 0.28 H ATOM 791 HA2 GLY S 55 -20.556 3.662 -4.038 1.00 0.46 H ATOM 792 HA3 GLY S 55 -20.043 5.223 -3.416 1.00 0.35 H