ATOM 58 N CYS A 6 12.839 8.903 4.014 1.00 0.62 N ATOM 59 CA CYS A 6 12.522 7.886 5.009 1.00 0.41 C ATOM 60 C CYS A 6 11.020 7.791 5.256 1.00 0.34 C ATOM 61 O CYS A 6 10.546 6.870 5.925 1.00 0.34 O ATOM 62 CB CYS A 6 13.242 8.199 6.320 1.00 0.49 C ATOM 63 SG CYS A 6 15.050 8.356 6.155 1.00 0.59 S ATOM 64 H CYS A 6 12.665 9.847 4.220 1.00 0.76 H ATOM 65 HA CYS A 6 12.873 6.938 4.633 1.00 0.36 H ATOM 66 HB2 CYS A 6 12.868 9.133 6.713 1.00 0.62 H ATOM 67 HB3 CYS A 6 13.043 7.407 7.028 1.00 0.46 H ATOM 68 N ALA A 7 10.272 8.737 4.709 1.00 0.32 N ATOM 69 CA ALA A 7 8.833 8.778 4.906 1.00 0.27 C ATOM 70 C ALA A 7 8.149 9.428 3.715 1.00 0.25 C ATOM 71 O ALA A 7 8.727 10.290 3.050 1.00 0.31 O ATOM 72 CB ALA A 7 8.495 9.530 6.184 1.00 0.31 C ATOM 73 H ALA A 7 10.695 9.422 4.148 1.00 0.36 H ATOM 74 HA ALA A 7 8.479 7.762 5.005 1.00 0.25 H ATOM 75 HB1 ALA A 7 7.425 9.522 6.333 1.00 1.07 H ATOM 76 HB2 ALA A 7 8.840 10.550 6.105 1.00 1.06 H ATOM 77 HB3 ALA A 7 8.978 9.051 7.023 1.00 0.97 H ATOM 78 N ALA A 8 6.925 9.006 3.444 1.00 0.22 N ATOM 79 CA ALA A 8 6.151 9.555 2.344 1.00 0.22 C ATOM 80 C ALA A 8 4.675 9.619 2.707 1.00 0.19 C ATOM 81 O ALA A 8 4.175 8.792 3.472 1.00 0.20 O ATOM 82 CB ALA A 8 6.357 8.726 1.084 1.00 0.27 C ATOM 83 H ALA A 8 6.526 8.301 4.006 1.00 0.23 H ATOM 84 HA ALA A 8 6.509 10.557 2.152 1.00 0.25 H ATOM 85 HB1 ALA A 8 5.978 7.729 1.245 1.00 1.08 H ATOM 86 HB2 ALA A 8 7.411 8.678 0.853 1.00 1.00 H ATOM 87 HB3 ALA A 8 5.828 9.184 0.261 1.00 0.99 H ATOM 88 N THR A 9 3.983 10.609 2.171 1.00 0.23 N ATOM 89 CA THR A 9 2.562 10.765 2.422 1.00 0.23 C ATOM 90 C THR A 9 1.779 10.570 1.130 1.00 0.23 C ATOM 91 O THR A 9 2.061 11.214 0.122 1.00 0.29 O ATOM 92 CB THR A 9 2.256 12.159 3.002 1.00 0.29 C ATOM 93 OG1 THR A 9 3.191 12.462 4.048 1.00 0.84 O ATOM 94 CG2 THR A 9 0.837 12.225 3.550 1.00 0.70 C ATOM 95 H THR A 9 4.437 11.250 1.583 1.00 0.29 H ATOM 96 HA THR A 9 2.259 10.017 3.138 1.00 0.25 H ATOM 97 HB THR A 9 2.358 12.890 2.214 1.00 0.73 H ATOM 98 HG1 THR A 9 4.088 12.411 3.692 1.00 1.35 H ATOM 99 HG21 THR A 9 0.717 11.487 4.330 1.00 1.36 H ATOM 100 HG22 THR A 9 0.134 12.022 2.755 1.00 1.15 H ATOM 101 HG23 THR A 9 0.651 13.209 3.953 1.00 1.45 H ATOM 102 N VAL A 10 0.810 9.671 1.158 1.00 0.21 N ATOM 103 CA VAL A 10 0.018 9.374 -0.022 1.00 0.22 C ATOM 104 C VAL A 10 -1.445 9.712 0.223 1.00 0.22 C ATOM 105 O VAL A 10 -2.028 9.302 1.223 1.00 0.26 O ATOM 106 CB VAL A 10 0.139 7.890 -0.432 1.00 0.29 C ATOM 107 CG1 VAL A 10 -0.712 7.597 -1.658 1.00 0.62 C ATOM 108 CG2 VAL A 10 1.592 7.522 -0.694 1.00 0.87 C ATOM 109 H VAL A 10 0.612 9.201 2.002 1.00 0.22 H ATOM 110 HA VAL A 10 0.386 9.983 -0.833 1.00 0.23 H ATOM 111 HB VAL A 10 -0.223 7.282 0.385 1.00 0.77 H ATOM 112 HG11 VAL A 10 -0.382 8.214 -2.481 1.00 1.22 H ATOM 113 HG12 VAL A 10 -1.747 7.816 -1.438 1.00 1.35 H ATOM 114 HG13 VAL A 10 -0.614 6.556 -1.926 1.00 1.12 H ATOM 115 HG21 VAL A 10 1.657 6.476 -0.955 1.00 1.29 H ATOM 116 HG22 VAL A 10 2.177 7.708 0.195 1.00 1.49 H ATOM 117 HG23 VAL A 10 1.974 8.121 -1.507 1.00 1.54 H ATOM 118 N GLU A 11 -2.026 10.470 -0.689 1.00 0.23 N ATOM 119 CA GLU A 11 -3.419 10.859 -0.576 1.00 0.25 C ATOM 120 C GLU A 11 -4.293 9.994 -1.478 1.00 0.23 C ATOM 121 O GLU A 11 -3.987 9.800 -2.657 1.00 0.29 O ATOM 122 CB GLU A 11 -3.585 12.337 -0.937 1.00 0.29 C ATOM 123 CG GLU A 11 -5.026 12.814 -0.936 1.00 1.09 C ATOM 124 CD GLU A 11 -5.167 14.215 -1.484 1.00 1.31 C ATOM 125 OE1 GLU A 11 -4.912 15.178 -0.735 1.00 1.14 O1- ATOM 126 OE2 GLU A 11 -5.526 14.360 -2.671 1.00 1.98 O ATOM 127 H GLU A 11 -1.505 10.773 -1.459 1.00 0.27 H ATOM 128 HA GLU A 11 -3.722 10.711 0.448 1.00 0.29 H ATOM 129 HB2 GLU A 11 -3.034 12.932 -0.224 1.00 0.76 H ATOM 130 HB3 GLU A 11 -3.176 12.505 -1.919 1.00 0.80 H ATOM 131 HG2 GLU A 11 -5.613 12.143 -1.549 1.00 1.71 H ATOM 132 HG3 GLU A 11 -5.398 12.798 0.078 1.00 1.60 H ATOM 133 N SER A 12 -5.365 9.465 -0.915 1.00 0.22 N ATOM 134 CA SER A 12 -6.334 8.700 -1.677 1.00 0.21 C ATOM 135 C SER A 12 -7.682 9.411 -1.652 1.00 0.20 C ATOM 136 O SER A 12 -8.116 9.907 -0.611 1.00 0.23 O ATOM 137 CB SER A 12 -6.457 7.278 -1.116 1.00 0.29 C ATOM 138 OG SER A 12 -6.551 7.291 0.299 1.00 0.97 O ATOM 139 H SER A 12 -5.516 9.600 0.047 1.00 0.26 H ATOM 140 HA SER A 12 -5.985 8.651 -2.699 1.00 0.21 H ATOM 141 HB2 SER A 12 -7.346 6.813 -1.516 1.00 0.62 H ATOM 142 HB3 SER A 12 -5.593 6.699 -1.403 1.00 0.49 H ATOM 143 HG SER A 12 -6.087 6.527 0.655 1.00 1.18 H ATOM 144 N ASN A 13 -8.342 9.465 -2.794 1.00 0.19 N ATOM 145 CA ASN A 13 -9.594 10.203 -2.916 1.00 0.24 C ATOM 146 C ASN A 13 -10.714 9.291 -3.401 1.00 0.24 C ATOM 147 O ASN A 13 -10.462 8.163 -3.823 1.00 0.19 O ATOM 148 CB ASN A 13 -9.415 11.401 -3.866 1.00 0.32 C ATOM 149 CG ASN A 13 -8.848 11.038 -5.237 1.00 0.34 C ATOM 150 OD1 ASN A 13 -8.163 11.848 -5.860 1.00 0.89 O ATOM 151 ND2 ASN A 13 -9.115 9.831 -5.723 1.00 1.14 N ATOM 152 H ASN A 13 -7.984 8.992 -3.574 1.00 0.19 H ATOM 153 HA ASN A 13 -9.853 10.573 -1.932 1.00 0.28 H ATOM 154 HB2 ASN A 13 -10.372 11.873 -4.017 1.00 0.38 H ATOM 155 HB3 ASN A 13 -8.746 12.114 -3.403 1.00 0.37 H ATOM 156 HD21 ASN A 13 -9.662 9.220 -5.183 1.00 1.79 H ATOM 157 HD22 ASN A 13 -8.760 9.600 -6.607 1.00 1.19 H ATOM 158 N ASP A 14 -11.946 9.789 -3.366 1.00 0.43 N ATOM 159 CA ASP A 14 -13.112 8.984 -3.735 1.00 0.51 C ATOM 160 C ASP A 14 -13.263 8.851 -5.249 1.00 0.43 C ATOM 161 O ASP A 14 -14.214 8.237 -5.729 1.00 0.48 O ATOM 162 CB ASP A 14 -14.401 9.553 -3.122 1.00 0.81 C ATOM 163 CG ASP A 14 -14.672 11.000 -3.497 1.00 1.53 C ATOM 164 OD1 ASP A 14 -14.910 11.286 -4.685 1.00 1.86 O ATOM 165 OD2 ASP A 14 -14.665 11.860 -2.590 1.00 2.26 O1- ATOM 166 H ASP A 14 -12.079 10.724 -3.085 1.00 0.55 H ATOM 167 HA ASP A 14 -12.953 7.996 -3.330 1.00 0.53 H ATOM 168 HB2 ASP A 14 -15.239 8.960 -3.458 1.00 1.03 H ATOM 169 HB3 ASP A 14 -14.335 9.490 -2.045 1.00 1.40 H ATOM 170 N ASN A 15 -12.326 9.421 -5.998 1.00 0.45 N ATOM 171 CA ASN A 15 -12.305 9.261 -7.449 1.00 0.48 C ATOM 172 C ASN A 15 -11.450 8.065 -7.847 1.00 0.41 C ATOM 173 O ASN A 15 -11.131 7.878 -9.018 1.00 0.47 O ATOM 174 CB ASN A 15 -11.784 10.521 -8.148 1.00 0.60 C ATOM 175 CG ASN A 15 -12.756 11.684 -8.094 1.00 0.93 C ATOM 176 OD1 ASN A 15 -12.345 12.841 -8.022 1.00 1.59 O ATOM 177 ND2 ASN A 15 -14.046 11.397 -8.142 1.00 1.58 N ATOM 178 H ASN A 15 -11.644 9.975 -5.568 1.00 0.49 H ATOM 179 HA ASN A 15 -13.318 9.076 -7.771 1.00 0.54 H ATOM 180 HB2 ASN A 15 -10.865 10.832 -7.677 1.00 0.96 H ATOM 181 HB3 ASN A 15 -11.589 10.291 -9.187 1.00 0.87 H ATOM 182 HD21 ASN A 15 -14.314 10.456 -8.213 1.00 2.09 H ATOM 183 HD22 ASN A 15 -14.687 12.142 -8.098 1.00 1.90 H ATOM 184 N MET A 16 -11.068 7.276 -6.838 1.00 0.36 N ATOM 185 CA MET A 16 -10.331 6.029 -7.041 1.00 0.39 C ATOM 186 C MET A 16 -8.960 6.265 -7.673 1.00 0.38 C ATOM 187 O MET A 16 -8.727 5.892 -8.818 1.00 0.54 O ATOM 188 CB MET A 16 -11.151 5.060 -7.902 1.00 0.50 C ATOM 189 CG MET A 16 -12.406 4.547 -7.217 1.00 0.58 C ATOM 190 SD MET A 16 -13.415 3.504 -8.290 1.00 1.03 S ATOM 191 CE MET A 16 -12.242 2.222 -8.724 1.00 1.92 C ATOM 192 H MET A 16 -11.301 7.539 -5.925 1.00 0.36 H ATOM 193 HA MET A 16 -10.182 5.582 -6.069 1.00 0.41 H ATOM 194 HB2 MET A 16 -11.445 5.565 -8.810 1.00 0.52 H ATOM 195 HB3 MET A 16 -10.535 4.212 -8.158 1.00 0.56 H ATOM 196 HG2 MET A 16 -12.117 3.971 -6.352 1.00 0.90 H ATOM 197 HG3 MET A 16 -12.998 5.394 -6.901 1.00 0.68 H ATOM 198 HE1 MET A 16 -11.844 1.779 -7.825 1.00 2.20 H ATOM 199 HE2 MET A 16 -11.438 2.650 -9.303 1.00 2.53 H ATOM 200 HE3 MET A 16 -12.741 1.462 -9.310 1.00 2.46 H ATOM 201 N GLN A 17 -8.048 6.869 -6.919 1.00 0.28 N ATOM 202 CA GLN A 17 -6.686 7.077 -7.403 1.00 0.33 C ATOM 203 C GLN A 17 -5.736 7.322 -6.241 1.00 0.28 C ATOM 204 O GLN A 17 -6.157 7.723 -5.150 1.00 0.40 O ATOM 205 CB GLN A 17 -6.612 8.264 -8.376 1.00 0.44 C ATOM 206 CG GLN A 17 -6.424 9.616 -7.699 1.00 0.77 C ATOM 207 CD GLN A 17 -6.200 10.744 -8.684 1.00 1.21 C ATOM 208 OE1 GLN A 17 -5.631 10.546 -9.759 1.00 1.78 O ATOM 209 NE2 GLN A 17 -6.641 11.937 -8.325 1.00 1.86 N ATOM 210 H GLN A 17 -8.285 7.165 -6.017 1.00 0.28 H ATOM 211 HA GLN A 17 -6.379 6.180 -7.919 1.00 0.41 H ATOM 212 HB2 GLN A 17 -5.788 8.111 -9.054 1.00 0.71 H ATOM 213 HB3 GLN A 17 -7.530 8.300 -8.943 1.00 0.83 H ATOM 214 HG2 GLN A 17 -7.301 9.840 -7.119 1.00 1.13 H ATOM 215 HG3 GLN A 17 -5.567 9.557 -7.043 1.00 0.81 H ATOM 216 HE21 GLN A 17 -7.083 12.026 -7.450 1.00 2.31 H ATOM 217 HE22 GLN A 17 -6.516 12.684 -8.946 1.00 2.23 H ATOM 218 N PHE A 18 -4.461 7.068 -6.485 1.00 0.30 N ATOM 219 CA PHE A 18 -3.407 7.430 -5.552 1.00 0.27 C ATOM 220 C PHE A 18 -2.776 8.741 -5.999 1.00 0.33 C ATOM 221 O PHE A 18 -2.689 9.016 -7.194 1.00 0.44 O ATOM 222 CB PHE A 18 -2.331 6.339 -5.488 1.00 0.29 C ATOM 223 CG PHE A 18 -2.735 5.110 -4.723 1.00 0.25 C ATOM 224 CD1 PHE A 18 -3.162 5.207 -3.410 1.00 0.24 C ATOM 225 CD2 PHE A 18 -2.713 3.862 -5.327 1.00 0.27 C ATOM 226 CE1 PHE A 18 -3.554 4.084 -2.709 1.00 0.25 C ATOM 227 CE2 PHE A 18 -3.105 2.733 -4.632 1.00 0.26 C ATOM 228 CZ PHE A 18 -3.439 2.831 -3.298 1.00 0.28 C ATOM 229 H PHE A 18 -4.216 6.632 -7.330 1.00 0.45 H ATOM 230 HA PHE A 18 -3.849 7.561 -4.575 1.00 0.26 H ATOM 231 HB2 PHE A 18 -2.086 6.031 -6.494 1.00 0.34 H ATOM 232 HB3 PHE A 18 -1.444 6.745 -5.022 1.00 0.34 H ATOM 233 HD1 PHE A 18 -3.186 6.175 -2.930 1.00 0.27 H ATOM 234 HD2 PHE A 18 -2.380 3.774 -6.350 1.00 0.31 H ATOM 235 HE1 PHE A 18 -3.882 4.175 -1.685 1.00 0.28 H ATOM 236 HE2 PHE A 18 -3.084 1.767 -5.115 1.00 0.30 H ATOM 237 HZ PHE A 18 -3.712 1.944 -2.744 1.00 0.31 H ATOM 238 N ASN A 19 -2.355 9.553 -5.034 1.00 0.35 N ATOM 239 CA ASN A 19 -1.719 10.836 -5.331 1.00 0.49 C ATOM 240 C ASN A 19 -0.435 10.632 -6.123 1.00 0.36 C ATOM 241 O ASN A 19 -0.063 11.469 -6.942 1.00 0.45 O ATOM 242 CB ASN A 19 -1.415 11.591 -4.036 1.00 0.71 C ATOM 243 CG ASN A 19 -1.030 13.040 -4.277 1.00 1.33 C ATOM 244 OD1 ASN A 19 0.148 13.369 -4.429 1.00 2.31 O ATOM 245 ND2 ASN A 19 -2.020 13.918 -4.318 1.00 1.42 N ATOM 246 H ASN A 19 -2.497 9.295 -4.098 1.00 0.34 H ATOM 247 HA ASN A 19 -2.407 11.419 -5.926 1.00 0.65 H ATOM 248 HB2 ASN A 19 -2.289 11.571 -3.403 1.00 1.29 H ATOM 249 HB3 ASN A 19 -0.596 11.102 -3.529 1.00 1.43 H ATOM 250 HD21 ASN A 19 -2.940 13.590 -4.198 1.00 1.07 H ATOM 251 HD22 ASN A 19 -1.796 14.861 -4.459 1.00 2.20 H ATOM 252 N THR A 20 0.229 9.512 -5.882 1.00 0.36 N ATOM 253 CA THR A 20 1.442 9.176 -6.601 1.00 0.33 C ATOM 254 C THR A 20 1.304 7.790 -7.225 1.00 0.24 C ATOM 255 O THR A 20 0.574 6.940 -6.714 1.00 0.32 O ATOM 256 CB THR A 20 2.684 9.219 -5.679 1.00 0.53 C ATOM 257 OG1 THR A 20 3.878 8.997 -6.443 1.00 1.12 O ATOM 258 CG2 THR A 20 2.587 8.177 -4.573 1.00 0.44 C ATOM 259 H THR A 20 -0.114 8.887 -5.213 1.00 0.46 H ATOM 260 HA THR A 20 1.575 9.903 -7.389 1.00 0.42 H ATOM 261 HB THR A 20 2.737 10.199 -5.224 1.00 0.94 H ATOM 262 HG1 THR A 20 4.493 8.452 -5.930 1.00 1.27 H ATOM 263 HG21 THR A 20 3.478 8.217 -3.963 1.00 1.10 H ATOM 264 HG22 THR A 20 2.494 7.195 -5.011 1.00 1.10 H ATOM 265 HG23 THR A 20 1.722 8.382 -3.960 1.00 1.26 H ATOM 266 N LYS A 21 1.989 7.576 -8.336 1.00 0.23 N ATOM 267 CA LYS A 21 1.907 6.313 -9.051 1.00 0.31 C ATOM 268 C LYS A 21 3.147 5.463 -8.784 1.00 0.23 C ATOM 269 O LYS A 21 3.156 4.257 -9.036 1.00 0.28 O ATOM 270 CB LYS A 21 1.754 6.576 -10.551 1.00 0.50 C ATOM 271 CG LYS A 21 1.500 5.325 -11.384 1.00 0.91 C ATOM 272 CD LYS A 21 0.182 4.647 -11.025 1.00 0.85 C ATOM 273 CE LYS A 21 -1.019 5.519 -11.364 1.00 1.30 C ATOM 274 NZ LYS A 21 -1.074 5.859 -12.811 1.00 2.18 N1+ ATOM 275 H LYS A 21 2.562 8.292 -8.688 1.00 0.29 H ATOM 276 HA LYS A 21 1.037 5.784 -8.694 1.00 0.42 H ATOM 277 HB2 LYS A 21 0.929 7.256 -10.700 1.00 0.91 H ATOM 278 HB3 LYS A 21 2.659 7.043 -10.913 1.00 1.08 H ATOM 279 HG2 LYS A 21 1.476 5.598 -12.428 1.00 1.70 H ATOM 280 HG3 LYS A 21 2.308 4.628 -11.214 1.00 1.59 H ATOM 281 HD2 LYS A 21 0.105 3.722 -11.575 1.00 1.30 H ATOM 282 HD3 LYS A 21 0.175 4.437 -9.966 1.00 1.60 H ATOM 283 HE2 LYS A 21 -1.919 4.985 -11.098 1.00 1.82 H ATOM 284 HE3 LYS A 21 -0.963 6.431 -10.789 1.00 1.73 H ATOM 285 HZ1 LYS A 21 -1.126 4.991 -13.382 1.00 2.52 H ATOM 286 HZ2 LYS A 21 -0.227 6.393 -13.089 1.00 2.85 H ATOM 287 HZ3 LYS A 21 -1.914 6.438 -13.010 1.00 2.48 H ATOM 288 N ASP A 22 4.187 6.099 -8.265 1.00 0.20 N ATOM 289 CA ASP A 22 5.442 5.412 -7.976 1.00 0.22 C ATOM 290 C ASP A 22 5.966 5.833 -6.612 1.00 0.20 C ATOM 291 O ASP A 22 5.845 6.997 -6.227 1.00 0.24 O ATOM 292 CB ASP A 22 6.502 5.720 -9.041 1.00 0.34 C ATOM 293 CG ASP A 22 6.138 5.206 -10.420 1.00 1.26 C ATOM 294 OD1 ASP A 22 6.261 3.984 -10.657 1.00 1.86 O1- ATOM 295 OD2 ASP A 22 5.705 6.012 -11.270 1.00 2.06 O ATOM 296 H ASP A 22 4.106 7.053 -8.055 1.00 0.23 H ATOM 297 HA ASP A 22 5.248 4.349 -7.965 1.00 0.26 H ATOM 298 HB2 ASP A 22 6.635 6.790 -9.106 1.00 1.18 H ATOM 299 HB3 ASP A 22 7.439 5.266 -8.747 1.00 1.05 H ATOM 300 N ILE A 23 6.541 4.889 -5.882 1.00 0.19 N ATOM 301 CA ILE A 23 7.142 5.180 -4.588 1.00 0.21 C ATOM 302 C ILE A 23 8.567 4.650 -4.545 1.00 0.27 C ATOM 303 O ILE A 23 8.822 3.496 -4.882 1.00 0.32 O ATOM 304 CB ILE A 23 6.324 4.572 -3.423 1.00 0.21 C ATOM 305 CG1 ILE A 23 4.982 5.300 -3.284 1.00 0.22 C ATOM 306 CG2 ILE A 23 7.107 4.636 -2.112 1.00 0.26 C ATOM 307 CD1 ILE A 23 4.052 4.672 -2.267 1.00 0.23 C ATOM 308 H ILE A 23 6.569 3.966 -6.225 1.00 0.21 H ATOM 309 HA ILE A 23 7.166 6.254 -4.466 1.00 0.23 H ATOM 310 HB ILE A 23 6.141 3.534 -3.651 1.00 0.24 H ATOM 311 HG12 ILE A 23 5.164 6.321 -2.975 1.00 0.25 H ATOM 312 HG13 ILE A 23 4.478 5.304 -4.240 1.00 0.26 H ATOM 313 HG21 ILE A 23 7.283 5.667 -1.847 1.00 0.96 H ATOM 314 HG22 ILE A 23 8.052 4.130 -2.236 1.00 1.01 H ATOM 315 HG23 ILE A 23 6.540 4.153 -1.330 1.00 0.90 H ATOM 316 HD11 ILE A 23 3.881 3.638 -2.524 1.00 1.03 H ATOM 317 HD12 ILE A 23 3.111 5.202 -2.263 1.00 1.11 H ATOM 318 HD13 ILE A 23 4.501 4.730 -1.288 1.00 0.97 H ATOM 319 N GLN A 24 9.491 5.504 -4.155 1.00 0.34 N ATOM 320 CA GLN A 24 10.890 5.130 -4.057 1.00 0.41 C ATOM 321 C GLN A 24 11.303 5.031 -2.597 1.00 0.35 C ATOM 322 O GLN A 24 11.124 5.974 -1.826 1.00 0.39 O ATOM 323 CB GLN A 24 11.764 6.142 -4.795 1.00 0.57 C ATOM 324 CG GLN A 24 11.490 6.196 -6.292 1.00 0.67 C ATOM 325 CD GLN A 24 12.214 7.334 -6.987 1.00 0.86 C ATOM 326 OE1 GLN A 24 12.587 7.225 -8.155 1.00 1.32 O ATOM 327 NE2 GLN A 24 12.409 8.438 -6.283 1.00 1.46 N ATOM 328 H GLN A 24 9.221 6.412 -3.903 1.00 0.35 H ATOM 329 HA GLN A 24 11.007 4.161 -4.518 1.00 0.44 H ATOM 330 HB2 GLN A 24 11.589 7.121 -4.379 1.00 0.59 H ATOM 331 HB3 GLN A 24 12.802 5.876 -4.650 1.00 0.63 H ATOM 332 HG2 GLN A 24 11.815 5.268 -6.735 1.00 0.70 H ATOM 333 HG3 GLN A 24 10.428 6.315 -6.447 1.00 0.63 H ATOM 334 HE21 GLN A 24 12.079 8.467 -5.358 1.00 2.04 H ATOM 335 HE22 GLN A 24 12.879 9.184 -6.712 1.00 1.58 H ATOM 336 N VAL A 25 11.840 3.883 -2.227 1.00 0.31 N ATOM 337 CA VAL A 25 12.254 3.632 -0.856 1.00 0.25 C ATOM 338 C VAL A 25 13.771 3.577 -0.761 1.00 0.26 C ATOM 339 O VAL A 25 14.410 2.754 -1.415 1.00 0.30 O ATOM 340 CB VAL A 25 11.658 2.310 -0.325 1.00 0.23 C ATOM 341 CG1 VAL A 25 12.161 2.015 1.078 1.00 0.22 C ATOM 342 CG2 VAL A 25 10.139 2.359 -0.351 1.00 0.23 C ATOM 343 H VAL A 25 11.974 3.179 -2.903 1.00 0.34 H ATOM 344 HA VAL A 25 11.891 4.444 -0.241 1.00 0.25 H ATOM 345 HB VAL A 25 11.981 1.511 -0.976 1.00 0.28 H ATOM 346 HG11 VAL A 25 13.238 1.924 1.063 1.00 0.89 H ATOM 347 HG12 VAL A 25 11.726 1.089 1.428 1.00 0.90 H ATOM 348 HG13 VAL A 25 11.875 2.819 1.740 1.00 0.85 H ATOM 349 HG21 VAL A 25 9.743 1.424 0.017 1.00 1.01 H ATOM 350 HG22 VAL A 25 9.802 2.520 -1.364 1.00 1.10 H ATOM 351 HG23 VAL A 25 9.796 3.167 0.276 1.00 0.92 H ATOM 352 N SER A 26 14.338 4.461 0.041 1.00 0.27 N ATOM 353 CA SER A 26 15.780 4.523 0.211 1.00 0.29 C ATOM 354 C SER A 26 16.263 3.470 1.206 1.00 0.26 C ATOM 355 O SER A 26 15.858 3.462 2.371 1.00 0.25 O ATOM 356 CB SER A 26 16.185 5.924 0.673 1.00 0.36 C ATOM 357 OG SER A 26 15.802 6.900 -0.281 1.00 1.16 O ATOM 358 H SER A 26 13.772 5.091 0.533 1.00 0.28 H ATOM 359 HA SER A 26 16.234 4.325 -0.749 1.00 0.34 H ATOM 360 HB2 SER A 26 15.700 6.147 1.610 1.00 0.74 H ATOM 361 HB3 SER A 26 17.256 5.968 0.803 1.00 0.99 H ATOM 362 HG SER A 26 14.836 6.989 -0.285 1.00 1.73 H ATOM 363 N LYS A 27 17.139 2.582 0.735 1.00 0.32 N ATOM 364 CA LYS A 27 17.677 1.502 1.560 1.00 0.36 C ATOM 365 C LYS A 27 18.579 2.047 2.660 1.00 0.42 C ATOM 366 O LYS A 27 18.863 1.362 3.645 1.00 0.54 O ATOM 367 CB LYS A 27 18.460 0.511 0.701 1.00 0.45 C ATOM 368 CG LYS A 27 19.745 1.083 0.118 1.00 0.82 C ATOM 369 CD LYS A 27 20.515 0.044 -0.681 1.00 0.86 C ATOM 370 CE LYS A 27 20.940 -1.126 0.191 1.00 0.98 C ATOM 371 NZ LYS A 27 21.729 -2.132 -0.566 1.00 0.97 N1+ ATOM 372 H LYS A 27 17.423 2.651 -0.208 1.00 0.37 H ATOM 373 HA LYS A 27 16.844 0.991 2.015 1.00 0.37 H ATOM 374 HB2 LYS A 27 18.714 -0.347 1.304 1.00 0.72 H ATOM 375 HB3 LYS A 27 17.834 0.192 -0.117 1.00 0.76 H ATOM 376 HG2 LYS A 27 19.496 1.908 -0.531 1.00 1.17 H ATOM 377 HG3 LYS A 27 20.368 1.438 0.927 1.00 1.17 H ATOM 378 HD2 LYS A 27 19.882 -0.324 -1.476 1.00 1.37 H ATOM 379 HD3 LYS A 27 21.394 0.507 -1.103 1.00 1.30 H ATOM 380 HE2 LYS A 27 21.541 -0.750 1.004 1.00 1.43 H ATOM 381 HE3 LYS A 27 20.056 -1.599 0.588 1.00 1.49 H ATOM 382 HZ1 LYS A 27 21.189 -2.464 -1.392 1.00 1.16 H ATOM 383 HZ2 LYS A 27 21.944 -2.948 0.041 1.00 1.56 H ATOM 384 HZ3 LYS A 27 22.621 -1.716 -0.895 1.00 1.38 H ATOM 385 N ALA A 28 19.030 3.282 2.481 1.00 0.44 N ATOM 386 CA ALA A 28 19.880 3.944 3.461 1.00 0.53 C ATOM 387 C ALA A 28 19.111 4.251 4.740 1.00 0.49 C ATOM 388 O ALA A 28 19.689 4.676 5.743 1.00 0.63 O ATOM 389 CB ALA A 28 20.453 5.220 2.876 1.00 0.65 C ATOM 390 H ALA A 28 18.791 3.757 1.657 1.00 0.47 H ATOM 391 HA ALA A 28 20.699 3.282 3.693 1.00 0.59 H ATOM 392 HB1 ALA A 28 19.650 5.908 2.657 1.00 1.17 H ATOM 393 HB2 ALA A 28 20.988 4.991 1.967 1.00 1.16 H ATOM 394 HB3 ALA A 28 21.127 5.669 3.587 1.00 1.15 H ATOM 395 N CYS A 29 17.809 4.036 4.695 1.00 0.37 N ATOM 396 CA CYS A 29 16.953 4.263 5.842 1.00 0.40 C ATOM 397 C CYS A 29 16.706 2.950 6.575 1.00 0.40 C ATOM 398 O CYS A 29 16.551 1.895 5.954 1.00 0.40 O ATOM 399 CB CYS A 29 15.632 4.879 5.383 1.00 0.41 C ATOM 400 SG CYS A 29 15.832 6.469 4.518 1.00 0.49 S ATOM 401 H CYS A 29 17.408 3.703 3.863 1.00 0.35 H ATOM 402 HA CYS A 29 17.457 4.950 6.506 1.00 0.48 H ATOM 403 HB2 CYS A 29 15.140 4.197 4.705 1.00 0.39 H ATOM 404 HB3 CYS A 29 14.998 5.047 6.241 1.00 0.46 H ATOM 405 N LYS A 30 16.695 3.021 7.899 1.00 0.49 N ATOM 406 CA LYS A 30 16.475 1.848 8.732 1.00 0.59 C ATOM 407 C LYS A 30 15.023 1.401 8.637 1.00 0.51 C ATOM 408 O LYS A 30 14.713 0.213 8.742 1.00 0.52 O ATOM 409 CB LYS A 30 16.838 2.162 10.184 1.00 0.81 C ATOM 410 CG LYS A 30 16.671 0.984 11.127 1.00 1.42 C ATOM 411 CD LYS A 30 17.020 1.363 12.554 1.00 2.13 C ATOM 412 CE LYS A 30 16.890 0.174 13.493 1.00 2.73 C ATOM 413 NZ LYS A 30 17.758 -0.960 13.084 1.00 3.49 N1+ ATOM 414 H LYS A 30 16.833 3.894 8.332 1.00 0.53 H ATOM 415 HA LYS A 30 17.112 1.055 8.369 1.00 0.64 H ATOM 416 HB2 LYS A 30 17.868 2.483 10.225 1.00 1.26 H ATOM 417 HB3 LYS A 30 16.207 2.965 10.532 1.00 1.26 H ATOM 418 HG2 LYS A 30 15.643 0.652 11.095 1.00 1.93 H ATOM 419 HG3 LYS A 30 17.320 0.183 10.808 1.00 1.99 H ATOM 420 HD2 LYS A 30 18.037 1.723 12.581 1.00 2.54 H ATOM 421 HD3 LYS A 30 16.351 2.145 12.882 1.00 2.61 H ATOM 422 HE2 LYS A 30 17.167 0.486 14.487 1.00 2.82 H ATOM 423 HE3 LYS A 30 15.861 -0.153 13.493 1.00 3.19 H ATOM 424 HZ1 LYS A 30 17.446 -1.339 12.168 1.00 3.98 H ATOM 425 HZ2 LYS A 30 17.713 -1.720 13.790 1.00 3.76 H ATOM 426 HZ3 LYS A 30 18.746 -0.643 12.995 1.00 3.79 H ATOM 427 N GLU A 31 14.137 2.365 8.446 1.00 0.51 N ATOM 428 CA GLU A 31 12.726 2.083 8.279 1.00 0.52 C ATOM 429 C GLU A 31 12.085 3.143 7.391 1.00 0.42 C ATOM 430 O GLU A 31 12.470 4.313 7.425 1.00 0.44 O ATOM 431 CB GLU A 31 12.011 2.011 9.640 1.00 0.69 C ATOM 432 CG GLU A 31 11.883 3.342 10.373 1.00 1.15 C ATOM 433 CD GLU A 31 13.214 3.913 10.821 1.00 1.39 C ATOM 434 OE1 GLU A 31 13.837 3.336 11.740 1.00 1.71 O ATOM 435 OE2 GLU A 31 13.646 4.941 10.256 1.00 2.00 O1- ATOM 436 H GLU A 31 14.441 3.297 8.420 1.00 0.57 H ATOM 437 HA GLU A 31 12.639 1.127 7.787 1.00 0.54 H ATOM 438 HB2 GLU A 31 11.018 1.618 9.485 1.00 1.30 H ATOM 439 HB3 GLU A 31 12.556 1.330 10.277 1.00 1.13 H ATOM 440 HG2 GLU A 31 11.413 4.053 9.712 1.00 1.90 H ATOM 441 HG3 GLU A 31 11.259 3.196 11.243 1.00 1.66 H ATOM 442 N PHE A 32 11.133 2.723 6.579 1.00 0.36 N ATOM 443 CA PHE A 32 10.423 3.640 5.707 1.00 0.30 C ATOM 444 C PHE A 32 8.952 3.654 6.088 1.00 0.25 C ATOM 445 O PHE A 32 8.325 2.598 6.207 1.00 0.29 O ATOM 446 CB PHE A 32 10.598 3.227 4.243 1.00 0.32 C ATOM 447 CG PHE A 32 10.186 4.282 3.254 1.00 0.30 C ATOM 448 CD1 PHE A 32 11.080 5.267 2.872 1.00 0.30 C ATOM 449 CD2 PHE A 32 8.915 4.289 2.699 1.00 0.32 C ATOM 450 CE1 PHE A 32 10.718 6.240 1.963 1.00 0.32 C ATOM 451 CE2 PHE A 32 8.550 5.262 1.788 1.00 0.34 C ATOM 452 CZ PHE A 32 9.452 6.237 1.419 1.00 0.34 C ATOM 453 H PHE A 32 10.894 1.768 6.570 1.00 0.39 H ATOM 454 HA PHE A 32 10.836 4.629 5.852 1.00 0.30 H ATOM 455 HB2 PHE A 32 11.639 2.997 4.064 1.00 0.36 H ATOM 456 HB3 PHE A 32 10.002 2.345 4.056 1.00 0.35 H ATOM 457 HD1 PHE A 32 12.073 5.272 3.298 1.00 0.32 H ATOM 458 HD2 PHE A 32 8.206 3.527 2.987 1.00 0.35 H ATOM 459 HE1 PHE A 32 11.428 7.004 1.677 1.00 0.35 H ATOM 460 HE2 PHE A 32 7.559 5.257 1.360 1.00 0.39 H ATOM 461 HZ PHE A 32 9.167 6.997 0.707 1.00 0.38 H ATOM 462 N THR A 33 8.410 4.841 6.291 1.00 0.21 N ATOM 463 CA THR A 33 7.038 4.980 6.739 1.00 0.19 C ATOM 464 C THR A 33 6.195 5.701 5.694 1.00 0.17 C ATOM 465 O THR A 33 6.617 6.704 5.120 1.00 0.26 O ATOM 466 CB THR A 33 6.979 5.737 8.082 1.00 0.24 C ATOM 467 OG1 THR A 33 7.762 5.040 9.065 1.00 0.32 O ATOM 468 CG2 THR A 33 5.548 5.876 8.584 1.00 0.26 C ATOM 469 H THR A 33 8.947 5.648 6.129 1.00 0.24 H ATOM 470 HA THR A 33 6.633 3.989 6.889 1.00 0.21 H ATOM 471 HB THR A 33 7.393 6.725 7.938 1.00 0.29 H ATOM 472 HG1 THR A 33 7.278 4.256 9.363 1.00 1.04 H ATOM 473 HG21 THR A 33 5.117 4.894 8.717 1.00 1.03 H ATOM 474 HG22 THR A 33 4.965 6.428 7.862 1.00 1.03 H ATOM 475 HG23 THR A 33 5.546 6.401 9.527 1.00 0.98 H ATOM 476 N ILE A 34 5.015 5.164 5.437 1.00 0.16 N ATOM 477 CA ILE A 34 4.094 5.758 4.484 1.00 0.17 C ATOM 478 C ILE A 34 2.769 6.054 5.164 1.00 0.17 C ATOM 479 O ILE A 34 2.164 5.165 5.764 1.00 0.21 O ATOM 480 CB ILE A 34 3.837 4.826 3.282 1.00 0.18 C ATOM 481 CG1 ILE A 34 5.154 4.488 2.580 1.00 0.19 C ATOM 482 CG2 ILE A 34 2.858 5.474 2.308 1.00 0.23 C ATOM 483 CD1 ILE A 34 5.005 3.494 1.448 1.00 0.22 C ATOM 484 H ILE A 34 4.750 4.349 5.912 1.00 0.20 H ATOM 485 HA ILE A 34 4.526 6.679 4.124 1.00 0.19 H ATOM 486 HB ILE A 34 3.389 3.916 3.651 1.00 0.20 H ATOM 487 HG12 ILE A 34 5.576 5.392 2.173 1.00 0.21 H ATOM 488 HG13 ILE A 34 5.841 4.070 3.302 1.00 0.19 H ATOM 489 HG21 ILE A 34 1.935 5.698 2.824 1.00 0.96 H ATOM 490 HG22 ILE A 34 2.658 4.795 1.493 1.00 0.96 H ATOM 491 HG23 ILE A 34 3.284 6.387 1.922 1.00 0.91 H ATOM 492 HD11 ILE A 34 5.967 3.325 0.987 1.00 1.03 H ATOM 493 HD12 ILE A 34 4.316 3.883 0.715 1.00 1.03 H ATOM 494 HD13 ILE A 34 4.625 2.561 1.837 1.00 0.97 H ATOM 495 N THR A 35 2.327 7.295 5.082 1.00 0.18 N ATOM 496 CA THR A 35 1.057 7.682 5.666 1.00 0.19 C ATOM 497 C THR A 35 0.013 7.913 4.583 1.00 0.17 C ATOM 498 O THR A 35 0.206 8.730 3.681 1.00 0.20 O ATOM 499 CB THR A 35 1.196 8.946 6.533 1.00 0.23 C ATOM 500 OG1 THR A 35 2.190 8.726 7.541 1.00 0.23 O ATOM 501 CG2 THR A 35 -0.130 9.307 7.193 1.00 0.28 C ATOM 502 H THR A 35 2.870 7.969 4.613 1.00 0.20 H ATOM 503 HA THR A 35 0.726 6.873 6.298 1.00 0.19 H ATOM 504 HB THR A 35 1.506 9.767 5.902 1.00 0.26 H ATOM 505 HG1 THR A 35 1.976 9.249 8.324 1.00 0.74 H ATOM 506 HG21 THR A 35 -0.875 9.481 6.431 1.00 0.96 H ATOM 507 HG22 THR A 35 -0.006 10.201 7.785 1.00 1.02 H ATOM 508 HG23 THR A 35 -0.447 8.495 7.830 1.00 1.00 H ATOM 509 N LEU A 36 -1.082 7.179 4.672 1.00 0.16 N ATOM 510 CA LEU A 36 -2.157 7.287 3.707 1.00 0.14 C ATOM 511 C LEU A 36 -3.247 8.204 4.242 1.00 0.17 C ATOM 512 O LEU A 36 -3.772 7.983 5.335 1.00 0.20 O ATOM 513 CB LEU A 36 -2.737 5.902 3.415 1.00 0.16 C ATOM 514 CG LEU A 36 -3.730 5.833 2.250 1.00 0.14 C ATOM 515 CD1 LEU A 36 -3.023 6.074 0.927 1.00 0.17 C ATOM 516 CD2 LEU A 36 -4.448 4.492 2.236 1.00 0.18 C ATOM 517 H LEU A 36 -1.176 6.545 5.420 1.00 0.17 H ATOM 518 HA LEU A 36 -1.754 7.708 2.799 1.00 0.15 H ATOM 519 HB2 LEU A 36 -1.916 5.232 3.200 1.00 0.20 H ATOM 520 HB3 LEU A 36 -3.236 5.551 4.306 1.00 0.21 H ATOM 521 HG LEU A 36 -4.472 6.610 2.374 1.00 0.13 H ATOM 522 HD11 LEU A 36 -3.710 5.891 0.114 1.00 0.98 H ATOM 523 HD12 LEU A 36 -2.180 5.405 0.843 1.00 0.97 H ATOM 524 HD13 LEU A 36 -2.679 7.096 0.883 1.00 1.05 H ATOM 525 HD21 LEU A 36 -5.132 4.460 1.401 1.00 0.99 H ATOM 526 HD22 LEU A 36 -5.000 4.367 3.157 1.00 1.04 H ATOM 527 HD23 LEU A 36 -3.725 3.696 2.139 1.00 0.97 H ATOM 528 N LYS A 37 -3.572 9.234 3.482 1.00 0.21 N ATOM 529 CA LYS A 37 -4.612 10.172 3.870 1.00 0.27 C ATOM 530 C LYS A 37 -5.759 10.107 2.870 1.00 0.20 C ATOM 531 O LYS A 37 -5.619 10.517 1.718 1.00 0.22 O ATOM 532 CB LYS A 37 -4.049 11.599 3.955 1.00 0.42 C ATOM 533 CG LYS A 37 -5.034 12.623 4.505 1.00 1.22 C ATOM 534 CD LYS A 37 -5.470 12.280 5.922 1.00 1.21 C ATOM 535 CE LYS A 37 -6.369 13.356 6.510 1.00 2.09 C ATOM 536 NZ LYS A 37 -6.820 13.017 7.886 1.00 2.62 N1+ ATOM 537 H LYS A 37 -3.099 9.365 2.627 1.00 0.23 H ATOM 538 HA LYS A 37 -4.980 9.875 4.840 1.00 0.34 H ATOM 539 HB2 LYS A 37 -3.175 11.596 4.594 1.00 1.11 H ATOM 540 HB3 LYS A 37 -3.754 11.917 2.964 1.00 0.73 H ATOM 541 HG2 LYS A 37 -4.563 13.594 4.510 1.00 1.93 H ATOM 542 HG3 LYS A 37 -5.905 12.647 3.867 1.00 1.96 H ATOM 543 HD2 LYS A 37 -6.012 11.346 5.905 1.00 1.40 H ATOM 544 HD3 LYS A 37 -4.592 12.177 6.545 1.00 1.51 H ATOM 545 HE2 LYS A 37 -5.823 14.287 6.540 1.00 2.18 H ATOM 546 HE3 LYS A 37 -7.236 13.469 5.875 1.00 2.79 H ATOM 547 HZ1 LYS A 37 -5.993 12.845 8.505 1.00 3.01 H ATOM 548 HZ2 LYS A 37 -7.411 12.162 7.874 1.00 3.07 H ATOM 549 HZ3 LYS A 37 -7.376 13.799 8.284 1.00 2.78 H ATOM 550 N HIS A 38 -6.887 9.573 3.309 1.00 0.18 N ATOM 551 CA HIS A 38 -8.038 9.416 2.434 1.00 0.16 C ATOM 552 C HIS A 38 -8.957 10.620 2.550 1.00 0.23 C ATOM 553 O HIS A 38 -9.743 10.728 3.487 1.00 0.29 O ATOM 554 CB HIS A 38 -8.804 8.129 2.767 1.00 0.21 C ATOM 555 CG HIS A 38 -9.999 7.861 1.890 1.00 0.20 C ATOM 556 ND1 HIS A 38 -10.320 8.610 0.774 1.00 0.18 N ATOM 557 CD2 HIS A 38 -10.968 6.922 1.992 1.00 0.29 C ATOM 558 CE1 HIS A 38 -11.435 8.146 0.240 1.00 0.19 C ATOM 559 NE2 HIS A 38 -11.847 7.119 0.957 1.00 0.24 N ATOM 560 H HIS A 38 -6.950 9.293 4.250 1.00 0.22 H ATOM 561 HA HIS A 38 -7.674 9.355 1.418 1.00 0.17 H ATOM 562 HB2 HIS A 38 -8.134 7.288 2.672 1.00 0.24 H ATOM 563 HB3 HIS A 38 -9.155 8.191 3.790 1.00 0.27 H ATOM 564 HD1 HIS A 38 -9.800 9.369 0.420 1.00 0.25 H ATOM 565 HD2 HIS A 38 -11.037 6.156 2.750 1.00 0.41 H ATOM 566 HE1 HIS A 38 -11.933 8.551 -0.628 1.00 0.24 H ATOM 567 HE2 HIS A 38 -12.517 6.459 0.661 1.00 0.26 H ATOM 568 N THR A 39 -8.847 11.520 1.593 1.00 0.30 N ATOM 569 CA THR A 39 -9.736 12.661 1.515 1.00 0.44 C ATOM 570 C THR A 39 -11.072 12.226 0.911 1.00 0.55 C ATOM 571 O THR A 39 -11.119 11.303 0.091 1.00 1.42 O ATOM 572 CB THR A 39 -9.108 13.805 0.680 1.00 0.52 C ATOM 573 OG1 THR A 39 -9.966 14.953 0.676 1.00 1.60 O ATOM 574 CG2 THR A 39 -8.841 13.365 -0.754 1.00 1.46 C ATOM 575 H THR A 39 -8.150 11.408 0.914 1.00 0.31 H ATOM 576 HA THR A 39 -9.904 13.022 2.520 1.00 0.47 H ATOM 577 HB THR A 39 -8.166 14.078 1.133 1.00 0.92 H ATOM 578 HG1 THR A 39 -9.940 15.373 1.546 1.00 2.04 H ATOM 579 HG21 THR A 39 -8.137 12.547 -0.755 1.00 1.97 H ATOM 580 HG22 THR A 39 -8.431 14.193 -1.314 1.00 2.04 H ATOM 581 HG23 THR A 39 -9.765 13.044 -1.210 1.00 2.09 H ATOM 582 N GLY A 40 -12.151 12.855 1.344 1.00 0.61 N ATOM 583 CA GLY A 40 -13.463 12.505 0.844 1.00 0.56 C ATOM 584 C GLY A 40 -14.474 12.360 1.963 1.00 0.66 C ATOM 585 O GLY A 40 -14.201 12.735 3.107 1.00 1.16 O ATOM 586 H GLY A 40 -12.059 13.562 2.018 1.00 1.26 H ATOM 587 HA2 GLY A 40 -13.797 13.280 0.166 1.00 0.53 H ATOM 588 HA3 GLY A 40 -13.394 11.568 0.306 1.00 0.54 H ATOM 589 N THR A 41 -15.637 11.816 1.640 1.00 0.46 N ATOM 590 CA THR A 41 -16.704 11.642 2.618 1.00 0.53 C ATOM 591 C THR A 41 -17.204 10.191 2.663 1.00 0.46 C ATOM 592 O THR A 41 -17.727 9.739 3.683 1.00 0.75 O ATOM 593 CB THR A 41 -17.881 12.591 2.302 1.00 0.71 C ATOM 594 OG1 THR A 41 -17.400 13.940 2.206 1.00 1.41 O ATOM 595 CG2 THR A 41 -18.957 12.518 3.375 1.00 1.53 C ATOM 596 H THR A 41 -15.792 11.543 0.713 1.00 0.63 H ATOM 597 HA THR A 41 -16.312 11.905 3.587 1.00 0.61 H ATOM 598 HB THR A 41 -18.315 12.302 1.356 1.00 1.21 H ATOM 599 HG1 THR A 41 -17.052 14.220 3.063 1.00 2.01 H ATOM 600 HG21 THR A 41 -19.752 13.207 3.134 1.00 2.20 H ATOM 601 HG22 THR A 41 -18.530 12.780 4.330 1.00 1.98 H ATOM 602 HG23 THR A 41 -19.351 11.513 3.420 1.00 1.99 H ATOM 603 N GLN A 42 -17.020 9.462 1.566 1.00 0.41 N ATOM 604 CA GLN A 42 -17.515 8.090 1.462 1.00 0.35 C ATOM 605 C GLN A 42 -16.900 7.178 2.523 1.00 0.29 C ATOM 606 O GLN A 42 -15.699 7.242 2.799 1.00 0.31 O ATOM 607 CB GLN A 42 -17.249 7.518 0.066 1.00 0.39 C ATOM 608 CG GLN A 42 -18.257 7.976 -0.982 1.00 0.59 C ATOM 609 CD GLN A 42 -19.680 7.613 -0.609 1.00 1.37 C ATOM 610 OE1 GLN A 42 -20.368 8.374 0.070 1.00 1.89 O ATOM 611 NE2 GLN A 42 -20.136 6.453 -1.053 1.00 2.08 N ATOM 612 H GLN A 42 -16.540 9.853 0.809 1.00 0.63 H ATOM 613 HA GLN A 42 -18.581 8.121 1.621 1.00 0.42 H ATOM 614 HB2 GLN A 42 -16.264 7.822 -0.254 1.00 0.38 H ATOM 615 HB3 GLN A 42 -17.283 6.438 0.120 1.00 0.38 H ATOM 616 HG2 GLN A 42 -18.193 9.047 -1.087 1.00 1.09 H ATOM 617 HG3 GLN A 42 -18.017 7.505 -1.925 1.00 1.13 H ATOM 618 HE21 GLN A 42 -19.540 5.893 -1.596 1.00 2.08 H ATOM 619 HE22 GLN A 42 -21.055 6.196 -0.818 1.00 2.81 H ATOM 620 N PRO A 43 -17.739 6.323 3.133 1.00 0.32 N ATOM 621 CA PRO A 43 -17.310 5.377 4.169 1.00 0.35 C ATOM 622 C PRO A 43 -16.502 4.213 3.592 1.00 0.31 C ATOM 623 O PRO A 43 -16.584 3.907 2.397 1.00 0.29 O ATOM 624 CB PRO A 43 -18.635 4.885 4.757 1.00 0.47 C ATOM 625 CG PRO A 43 -19.609 5.008 3.639 1.00 0.49 C ATOM 626 CD PRO A 43 -19.186 6.221 2.859 1.00 0.40 C ATOM 627 HA PRO A 43 -16.732 5.866 4.938 1.00 0.38 H ATOM 628 HB2 PRO A 43 -18.532 3.862 5.082 1.00 0.53 H ATOM 629 HB3 PRO A 43 -18.915 5.509 5.593 1.00 0.53 H ATOM 630 HG2 PRO A 43 -19.564 4.127 3.016 1.00 0.52 H ATOM 631 HG3 PRO A 43 -20.608 5.141 4.034 1.00 0.58 H ATOM 632 HD2 PRO A 43 -19.368 6.070 1.802 1.00 0.43 H ATOM 633 HD3 PRO A 43 -19.708 7.101 3.212 1.00 0.44 H ATOM 634 N LYS A 44 -15.735 3.564 4.468 1.00 0.33 N ATOM 635 CA LYS A 44 -14.721 2.584 4.070 1.00 0.34 C ATOM 636 C LYS A 44 -15.311 1.354 3.383 1.00 0.36 C ATOM 637 O LYS A 44 -14.627 0.699 2.601 1.00 0.44 O ATOM 638 CB LYS A 44 -13.891 2.148 5.288 1.00 0.43 C ATOM 639 CG LYS A 44 -14.698 1.461 6.381 1.00 0.49 C ATOM 640 CD LYS A 44 -13.803 0.946 7.495 1.00 0.66 C ATOM 641 CE LYS A 44 -14.613 0.307 8.615 1.00 1.06 C ATOM 642 NZ LYS A 44 -15.438 1.303 9.350 1.00 1.82 N1+ ATOM 643 H LYS A 44 -15.856 3.753 5.424 1.00 0.36 H ATOM 644 HA LYS A 44 -14.063 3.075 3.371 1.00 0.33 H ATOM 645 HB2 LYS A 44 -13.125 1.463 4.958 1.00 0.50 H ATOM 646 HB3 LYS A 44 -13.418 3.019 5.717 1.00 0.46 H ATOM 647 HG2 LYS A 44 -15.401 2.165 6.795 1.00 0.46 H ATOM 648 HG3 LYS A 44 -15.233 0.628 5.949 1.00 0.55 H ATOM 649 HD2 LYS A 44 -13.127 0.210 7.090 1.00 1.25 H ATOM 650 HD3 LYS A 44 -13.236 1.773 7.899 1.00 1.24 H ATOM 651 HE2 LYS A 44 -15.265 -0.439 8.188 1.00 1.52 H ATOM 652 HE3 LYS A 44 -13.933 -0.165 9.308 1.00 1.81 H ATOM 653 HZ1 LYS A 44 -15.982 0.833 10.102 1.00 2.15 H ATOM 654 HZ2 LYS A 44 -16.100 1.774 8.702 1.00 2.20 H ATOM 655 HZ3 LYS A 44 -14.823 2.025 9.784 1.00 2.49 H ATOM 656 N ALA A 45 -16.562 1.039 3.678 1.00 0.40 N ATOM 657 CA ALA A 45 -17.213 -0.124 3.083 1.00 0.46 C ATOM 658 C ALA A 45 -17.682 0.169 1.661 1.00 0.48 C ATOM 659 O ALA A 45 -17.936 -0.750 0.878 1.00 0.58 O ATOM 660 CB ALA A 45 -18.384 -0.575 3.939 1.00 0.59 C ATOM 661 H ALA A 45 -17.057 1.588 4.323 1.00 0.42 H ATOM 662 HA ALA A 45 -16.491 -0.928 3.052 1.00 0.51 H ATOM 663 HB1 ALA A 45 -18.808 -1.477 3.523 1.00 1.11 H ATOM 664 HB2 ALA A 45 -19.135 0.200 3.957 1.00 1.18 H ATOM 665 HB3 ALA A 45 -18.041 -0.769 4.946 1.00 1.27 H ATOM 666 N SER A 46 -17.790 1.449 1.332 1.00 0.49 N ATOM 667 CA SER A 46 -18.255 1.863 0.017 1.00 0.63 C ATOM 668 C SER A 46 -17.075 2.280 -0.853 1.00 0.47 C ATOM 669 O SER A 46 -16.905 1.783 -1.968 1.00 0.61 O ATOM 670 CB SER A 46 -19.256 3.017 0.146 1.00 0.83 C ATOM 671 OG SER A 46 -19.715 3.448 -1.124 1.00 1.51 O ATOM 672 H SER A 46 -17.536 2.133 1.987 1.00 0.47 H ATOM 673 HA SER A 46 -18.745 1.018 -0.443 1.00 0.80 H ATOM 674 HB2 SER A 46 -20.106 2.691 0.726 1.00 1.42 H ATOM 675 HB3 SER A 46 -18.782 3.850 0.644 1.00 1.21 H ATOM 676 HG SER A 46 -20.550 3.010 -1.330 1.00 1.86 H ATOM 677 N MET A 47 -16.256 3.180 -0.327 1.00 0.27 N ATOM 678 CA MET A 47 -15.090 3.675 -1.045 1.00 0.21 C ATOM 679 C MET A 47 -13.904 3.739 -0.092 1.00 0.17 C ATOM 680 O MET A 47 -13.414 4.822 0.262 1.00 0.19 O ATOM 681 CB MET A 47 -15.376 5.057 -1.645 1.00 0.29 C ATOM 682 CG MET A 47 -14.251 5.602 -2.520 1.00 0.42 C ATOM 683 SD MET A 47 -14.048 4.689 -4.061 1.00 1.13 S ATOM 684 CE MET A 47 -15.562 5.113 -4.917 1.00 0.81 C ATOM 685 H MET A 47 -16.433 3.516 0.580 1.00 0.30 H ATOM 686 HA MET A 47 -14.865 2.977 -1.840 1.00 0.31 H ATOM 687 HB2 MET A 47 -16.272 4.996 -2.243 1.00 0.34 H ATOM 688 HB3 MET A 47 -15.546 5.754 -0.837 1.00 0.33 H ATOM 689 HG2 MET A 47 -14.468 6.633 -2.758 1.00 1.00 H ATOM 690 HG3 MET A 47 -13.323 5.550 -1.966 1.00 0.96 H ATOM 691 HE1 MET A 47 -15.588 4.610 -5.872 1.00 1.32 H ATOM 692 HE2 MET A 47 -15.599 6.182 -5.073 1.00 1.27 H ATOM 693 HE3 MET A 47 -16.411 4.806 -4.325 1.00 1.19 H ATOM 694 N GLY A 48 -13.479 2.570 0.354 1.00 0.14 N ATOM 695 CA GLY A 48 -12.358 2.482 1.254 1.00 0.12 C ATOM 696 C GLY A 48 -11.064 2.270 0.512 1.00 0.11 C ATOM 697 O GLY A 48 -11.059 1.779 -0.620 1.00 0.13 O ATOM 698 H GLY A 48 -13.927 1.751 0.056 1.00 0.15 H ATOM 699 HA2 GLY A 48 -12.291 3.398 1.824 1.00 0.14 H ATOM 700 HA3 GLY A 48 -12.513 1.653 1.930 1.00 0.14 H ATOM 701 N HIS A 49 -9.961 2.653 1.135 1.00 0.11 N ATOM 702 CA HIS A 49 -8.656 2.509 0.506 1.00 0.11 C ATOM 703 C HIS A 49 -7.639 1.975 1.497 1.00 0.12 C ATOM 704 O HIS A 49 -7.725 2.243 2.700 1.00 0.15 O ATOM 705 CB HIS A 49 -8.136 3.848 -0.045 1.00 0.12 C ATOM 706 CG HIS A 49 -8.978 4.470 -1.117 1.00 0.12 C ATOM 707 ND1 HIS A 49 -9.258 3.818 -2.292 1.00 0.13 N ATOM 708 CD2 HIS A 49 -9.549 5.695 -1.145 1.00 0.13 C ATOM 709 CE1 HIS A 49 -9.988 4.658 -3.002 1.00 0.14 C ATOM 710 NE2 HIS A 49 -10.192 5.811 -2.350 1.00 0.14 N ATOM 711 H HIS A 49 -10.021 3.030 2.037 1.00 0.12 H ATOM 712 HA HIS A 49 -8.757 1.806 -0.309 1.00 0.12 H ATOM 713 HB2 HIS A 49 -8.074 4.557 0.768 1.00 0.13 H ATOM 714 HB3 HIS A 49 -7.145 3.695 -0.453 1.00 0.13 H ATOM 715 HD2 HIS A 49 -9.502 6.446 -0.369 1.00 0.14 H ATOM 716 HE1 HIS A 49 -10.384 4.440 -3.983 1.00 0.16 H ATOM 717 HE2 HIS A 49 -10.455 6.656 -2.772 1.00 0.15 H ATOM 718 N ASN A 50 -6.690 1.214 0.985 1.00 0.12 N ATOM 719 CA ASN A 50 -5.518 0.827 1.746 1.00 0.19 C ATOM 720 C ASN A 50 -4.302 0.874 0.835 1.00 0.24 C ATOM 721 O ASN A 50 -4.435 1.012 -0.380 1.00 0.43 O ATOM 722 CB ASN A 50 -5.672 -0.569 2.391 1.00 0.29 C ATOM 723 CG ASN A 50 -5.857 -1.713 1.399 1.00 0.67 C ATOM 724 OD1 ASN A 50 -5.416 -1.657 0.255 1.00 1.48 O ATOM 725 ND2 ASN A 50 -6.494 -2.779 1.847 1.00 0.69 N ATOM 726 H ASN A 50 -6.776 0.902 0.053 1.00 0.13 H ATOM 727 HA ASN A 50 -5.385 1.562 2.528 1.00 0.22 H ATOM 728 HB2 ASN A 50 -4.789 -0.780 2.975 1.00 0.88 H ATOM 729 HB3 ASN A 50 -6.528 -0.552 3.051 1.00 0.81 H ATOM 730 HD21 ASN A 50 -6.809 -2.780 2.777 1.00 0.74 H ATOM 731 HD22 ASN A 50 -6.614 -3.539 1.232 1.00 1.15 H ATOM 732 N LEU A 51 -3.128 0.802 1.416 1.00 0.17 N ATOM 733 CA LEU A 51 -1.910 0.759 0.636 1.00 0.17 C ATOM 734 C LEU A 51 -1.055 -0.392 1.127 1.00 0.17 C ATOM 735 O LEU A 51 -0.554 -0.377 2.253 1.00 0.20 O ATOM 736 CB LEU A 51 -1.163 2.099 0.728 1.00 0.18 C ATOM 737 CG LEU A 51 -0.005 2.286 -0.263 1.00 0.20 C ATOM 738 CD1 LEU A 51 0.208 3.762 -0.555 1.00 0.20 C ATOM 739 CD2 LEU A 51 1.281 1.678 0.281 1.00 0.22 C ATOM 740 H LEU A 51 -3.073 0.776 2.397 1.00 0.22 H ATOM 741 HA LEU A 51 -2.185 0.574 -0.392 1.00 0.17 H ATOM 742 HB2 LEU A 51 -1.877 2.894 0.565 1.00 0.20 H ATOM 743 HB3 LEU A 51 -0.764 2.193 1.729 1.00 0.18 H ATOM 744 HG LEU A 51 -0.248 1.791 -1.191 1.00 0.22 H ATOM 745 HD11 LEU A 51 1.033 3.878 -1.241 1.00 0.98 H ATOM 746 HD12 LEU A 51 0.428 4.284 0.364 1.00 1.05 H ATOM 747 HD13 LEU A 51 -0.688 4.174 -0.998 1.00 1.02 H ATOM 748 HD21 LEU A 51 1.568 2.195 1.185 1.00 0.99 H ATOM 749 HD22 LEU A 51 2.065 1.776 -0.454 1.00 0.92 H ATOM 750 HD23 LEU A 51 1.118 0.633 0.499 1.00 0.92 H ATOM 751 N VAL A 52 -0.936 -1.414 0.300 1.00 0.17 N ATOM 752 CA VAL A 52 -0.139 -2.576 0.640 1.00 0.20 C ATOM 753 C VAL A 52 1.118 -2.621 -0.215 1.00 0.22 C ATOM 754 O VAL A 52 1.091 -2.250 -1.387 1.00 0.30 O ATOM 755 CB VAL A 52 -0.935 -3.891 0.456 1.00 0.25 C ATOM 756 CG1 VAL A 52 -2.235 -3.843 1.242 1.00 1.25 C ATOM 757 CG2 VAL A 52 -1.211 -4.165 -1.015 1.00 1.46 C ATOM 758 H VAL A 52 -1.405 -1.388 -0.563 1.00 0.17 H ATOM 759 HA VAL A 52 0.147 -2.492 1.678 1.00 0.22 H ATOM 760 HB VAL A 52 -0.338 -4.704 0.843 1.00 1.12 H ATOM 761 HG11 VAL A 52 -2.850 -3.037 0.869 1.00 1.79 H ATOM 762 HG12 VAL A 52 -2.019 -3.677 2.285 1.00 1.83 H ATOM 763 HG13 VAL A 52 -2.760 -4.779 1.126 1.00 1.96 H ATOM 764 HG21 VAL A 52 -1.832 -3.378 -1.418 1.00 2.06 H ATOM 765 HG22 VAL A 52 -1.720 -5.113 -1.116 1.00 1.90 H ATOM 766 HG23 VAL A 52 -0.277 -4.199 -1.556 1.00 2.13 H ATOM 767 N ILE A 53 2.216 -3.053 0.378 1.00 0.21 N ATOM 768 CA ILE A 53 3.459 -3.216 -0.355 1.00 0.23 C ATOM 769 C ILE A 53 3.910 -4.663 -0.295 1.00 0.19 C ATOM 770 O ILE A 53 4.087 -5.229 0.789 1.00 0.20 O ATOM 771 CB ILE A 53 4.572 -2.285 0.174 1.00 0.31 C ATOM 772 CG1 ILE A 53 4.208 -0.824 -0.114 1.00 0.45 C ATOM 773 CG2 ILE A 53 5.918 -2.640 -0.453 1.00 0.30 C ATOM 774 CD1 ILE A 53 5.275 0.172 0.284 1.00 0.51 C ATOM 775 H ILE A 53 2.190 -3.274 1.337 1.00 0.23 H ATOM 776 HA ILE A 53 3.266 -2.961 -1.387 1.00 0.27 H ATOM 777 HB ILE A 53 4.649 -2.426 1.242 1.00 0.34 H ATOM 778 HG12 ILE A 53 4.031 -0.707 -1.174 1.00 1.04 H ATOM 779 HG13 ILE A 53 3.304 -0.574 0.424 1.00 0.88 H ATOM 780 HG21 ILE A 53 6.154 -3.672 -0.238 1.00 0.96 H ATOM 781 HG22 ILE A 53 6.688 -2.003 -0.043 1.00 1.05 H ATOM 782 HG23 ILE A 53 5.866 -2.499 -1.522 1.00 0.99 H ATOM 783 HD11 ILE A 53 5.439 0.118 1.350 1.00 1.10 H ATOM 784 HD12 ILE A 53 4.956 1.170 0.018 1.00 1.31 H ATOM 785 HD13 ILE A 53 6.194 -0.060 -0.234 1.00 1.14 H ATOM 786 N ALA A 54 4.073 -5.260 -1.463 1.00 0.22 N ATOM 787 CA ALA A 54 4.435 -6.661 -1.562 1.00 0.27 C ATOM 788 C ALA A 54 5.299 -6.906 -2.789 1.00 0.31 C ATOM 789 O ALA A 54 5.337 -6.090 -3.711 1.00 0.30 O ATOM 790 CB ALA A 54 3.181 -7.519 -1.620 1.00 0.32 C ATOM 791 H ALA A 54 3.953 -4.736 -2.288 1.00 0.24 H ATOM 792 HA ALA A 54 4.992 -6.929 -0.677 1.00 0.30 H ATOM 793 HB1 ALA A 54 2.648 -7.312 -2.534 1.00 1.06 H ATOM 794 HB2 ALA A 54 2.548 -7.290 -0.775 1.00 0.96 H ATOM 795 HB3 ALA A 54 3.456 -8.562 -1.592 1.00 1.09 H ATOM 796 N LYS A 55 5.999 -8.030 -2.778 1.00 0.43 N ATOM 797 CA LYS A 55 6.850 -8.431 -3.886 1.00 0.52 C ATOM 798 C LYS A 55 5.985 -8.788 -5.092 1.00 0.53 C ATOM 799 O LYS A 55 5.125 -9.653 -4.989 1.00 0.64 O ATOM 800 CB LYS A 55 7.702 -9.624 -3.441 1.00 0.69 C ATOM 801 CG LYS A 55 8.682 -10.133 -4.480 1.00 1.04 C ATOM 802 CD LYS A 55 9.569 -11.219 -3.889 1.00 1.03 C ATOM 803 CE LYS A 55 10.323 -11.978 -4.966 1.00 1.01 C ATOM 804 NZ LYS A 55 9.396 -12.602 -5.945 1.00 1.46 N1+ ATOM 805 H LYS A 55 5.934 -8.620 -1.998 1.00 0.50 H ATOM 806 HA LYS A 55 7.495 -7.601 -4.139 1.00 0.50 H ATOM 807 HB2 LYS A 55 8.263 -9.340 -2.564 1.00 1.23 H ATOM 808 HB3 LYS A 55 7.040 -10.439 -3.180 1.00 1.22 H ATOM 809 HG2 LYS A 55 8.131 -10.541 -5.314 1.00 1.72 H ATOM 810 HG3 LYS A 55 9.301 -9.313 -4.816 1.00 1.63 H ATOM 811 HD2 LYS A 55 10.286 -10.760 -3.220 1.00 1.28 H ATOM 812 HD3 LYS A 55 8.950 -11.914 -3.337 1.00 1.25 H ATOM 813 HE2 LYS A 55 10.973 -11.291 -5.486 1.00 1.23 H ATOM 814 HE3 LYS A 55 10.914 -12.752 -4.499 1.00 1.32 H ATOM 815 HZ1 LYS A 55 8.594 -13.053 -5.445 1.00 1.94 H ATOM 816 HZ2 LYS A 55 9.893 -13.327 -6.499 1.00 1.67 H ATOM 817 HZ3 LYS A 55 9.026 -11.882 -6.594 1.00 2.05 H ATOM 818 N ALA A 56 6.228 -8.120 -6.222 1.00 0.49 N ATOM 819 CA ALA A 56 5.344 -8.179 -7.396 1.00 0.52 C ATOM 820 C ALA A 56 4.930 -9.601 -7.767 1.00 0.61 C ATOM 821 O ALA A 56 3.738 -9.893 -7.909 1.00 0.77 O ATOM 822 CB ALA A 56 6.022 -7.519 -8.584 1.00 0.53 C ATOM 823 H ALA A 56 7.040 -7.565 -6.276 1.00 0.48 H ATOM 824 HA ALA A 56 4.456 -7.609 -7.168 1.00 0.58 H ATOM 825 HB1 ALA A 56 5.335 -7.481 -9.416 1.00 0.99 H ATOM 826 HB2 ALA A 56 6.896 -8.090 -8.865 1.00 1.25 H ATOM 827 HB3 ALA A 56 6.322 -6.516 -8.318 1.00 1.19 H ATOM 828 N GLU A 57 5.918 -10.471 -7.913 1.00 0.65 N ATOM 829 CA GLU A 57 5.700 -11.859 -8.313 1.00 0.79 C ATOM 830 C GLU A 57 4.766 -12.592 -7.349 1.00 0.71 C ATOM 831 O GLU A 57 4.004 -13.475 -7.748 1.00 0.77 O ATOM 832 CB GLU A 57 7.050 -12.572 -8.373 1.00 1.01 C ATOM 833 CG GLU A 57 6.957 -14.064 -8.629 1.00 1.69 C ATOM 834 CD GLU A 57 8.295 -14.750 -8.474 1.00 2.26 C ATOM 835 OE1 GLU A 57 8.671 -15.067 -7.326 1.00 2.89 O ATOM 836 OE2 GLU A 57 8.978 -14.970 -9.494 1.00 2.58 O1- ATOM 837 H GLU A 57 6.837 -10.166 -7.756 1.00 0.68 H ATOM 838 HA GLU A 57 5.259 -11.858 -9.297 1.00 0.91 H ATOM 839 HB2 GLU A 57 7.640 -12.132 -9.162 1.00 1.33 H ATOM 840 HB3 GLU A 57 7.560 -12.425 -7.434 1.00 1.62 H ATOM 841 HG2 GLU A 57 6.263 -14.493 -7.924 1.00 2.35 H ATOM 842 HG3 GLU A 57 6.599 -14.226 -9.634 1.00 2.06 H ATOM 843 N ASP A 58 4.823 -12.219 -6.083 1.00 0.66 N ATOM 844 CA ASP A 58 4.061 -12.906 -5.051 1.00 0.71 C ATOM 845 C ASP A 58 2.836 -12.090 -4.660 1.00 0.65 C ATOM 846 O ASP A 58 1.987 -12.546 -3.892 1.00 0.65 O ATOM 847 CB ASP A 58 4.946 -13.155 -3.825 1.00 0.88 C ATOM 848 CG ASP A 58 6.156 -14.014 -4.147 1.00 1.36 C ATOM 849 OD1 ASP A 58 7.163 -13.470 -4.648 1.00 2.15 O1- ATOM 850 OD2 ASP A 58 6.110 -15.240 -3.898 1.00 1.46 O ATOM 851 H ASP A 58 5.383 -11.452 -5.834 1.00 0.66 H ATOM 852 HA ASP A 58 3.739 -13.855 -5.451 1.00 0.78 H ATOM 853 HB2 ASP A 58 5.292 -12.209 -3.438 1.00 1.12 H ATOM 854 HB3 ASP A 58 4.365 -13.657 -3.066 1.00 1.27 H ATOM 855 N MET A 59 2.742 -10.889 -5.217 1.00 0.64 N ATOM 856 CA MET A 59 1.685 -9.951 -4.865 1.00 0.64 C ATOM 857 C MET A 59 0.357 -10.362 -5.484 1.00 0.60 C ATOM 858 O MET A 59 -0.708 -10.010 -4.979 1.00 0.57 O ATOM 859 CB MET A 59 2.056 -8.537 -5.313 1.00 0.78 C ATOM 860 CG MET A 59 1.126 -7.467 -4.771 1.00 0.58 C ATOM 861 SD MET A 59 1.664 -5.809 -5.212 1.00 0.65 S ATOM 862 CE MET A 59 0.592 -4.822 -4.178 1.00 0.35 C ATOM 863 H MET A 59 3.411 -10.623 -5.883 1.00 0.68 H ATOM 864 HA MET A 59 1.582 -9.959 -3.792 1.00 0.66 H ATOM 865 HB2 MET A 59 3.059 -8.315 -4.978 1.00 1.07 H ATOM 866 HB3 MET A 59 2.026 -8.493 -6.393 1.00 1.07 H ATOM 867 HG2 MET A 59 0.138 -7.630 -5.176 1.00 1.05 H ATOM 868 HG3 MET A 59 1.090 -7.548 -3.696 1.00 1.16 H ATOM 869 HE1 MET A 59 0.762 -3.775 -4.379 1.00 0.98 H ATOM 870 HE2 MET A 59 0.806 -5.028 -3.139 1.00 0.94 H ATOM 871 HE3 MET A 59 -0.439 -5.067 -4.388 1.00 0.93 H ATOM 872 N ASP A 60 0.427 -11.116 -6.572 1.00 0.65 N ATOM 873 CA ASP A 60 -0.770 -11.620 -7.231 1.00 0.72 C ATOM 874 C ASP A 60 -1.578 -12.468 -6.257 1.00 0.67 C ATOM 875 O ASP A 60 -2.803 -12.349 -6.166 1.00 0.70 O ATOM 876 CB ASP A 60 -0.388 -12.447 -8.456 1.00 0.87 C ATOM 877 CG ASP A 60 -1.593 -12.912 -9.240 1.00 1.41 C ATOM 878 OD1 ASP A 60 -2.057 -12.164 -10.127 1.00 1.42 O1- ATOM 879 OD2 ASP A 60 -2.094 -14.021 -8.954 1.00 2.27 O ATOM 880 H ASP A 60 1.305 -11.336 -6.945 1.00 0.68 H ATOM 881 HA ASP A 60 -1.365 -10.775 -7.540 1.00 0.75 H ATOM 882 HB2 ASP A 60 0.232 -11.849 -9.107 1.00 1.22 H ATOM 883 HB3 ASP A 60 0.168 -13.315 -8.137 1.00 1.25 H ATOM 884 N GLY A 61 -0.868 -13.298 -5.503 1.00 0.65 N ATOM 885 CA GLY A 61 -1.497 -14.116 -4.489 1.00 0.66 C ATOM 886 C GLY A 61 -2.024 -13.291 -3.333 1.00 0.59 C ATOM 887 O GLY A 61 -2.890 -13.741 -2.588 1.00 0.63 O ATOM 888 H GLY A 61 0.102 -13.358 -5.645 1.00 0.66 H ATOM 889 HA2 GLY A 61 -2.317 -14.659 -4.934 1.00 0.71 H ATOM 890 HA3 GLY A 61 -0.773 -14.823 -4.111 1.00 0.68 H ATOM 891 N VAL A 62 -1.503 -12.078 -3.187 1.00 0.52 N ATOM 892 CA VAL A 62 -1.916 -11.187 -2.109 1.00 0.48 C ATOM 893 C VAL A 62 -3.314 -10.640 -2.373 1.00 0.45 C ATOM 894 O VAL A 62 -4.155 -10.613 -1.477 1.00 0.46 O ATOM 895 CB VAL A 62 -0.926 -10.014 -1.924 1.00 0.48 C ATOM 896 CG1 VAL A 62 -1.466 -8.992 -0.930 1.00 0.46 C ATOM 897 CG2 VAL A 62 0.428 -10.529 -1.459 1.00 0.55 C ATOM 898 H VAL A 62 -0.836 -11.766 -3.833 1.00 0.50 H ATOM 899 HA VAL A 62 -1.935 -11.764 -1.195 1.00 0.51 H ATOM 900 HB VAL A 62 -0.794 -9.524 -2.880 1.00 0.50 H ATOM 901 HG11 VAL A 62 -1.598 -9.462 0.033 1.00 1.09 H ATOM 902 HG12 VAL A 62 -2.416 -8.615 -1.281 1.00 1.02 H ATOM 903 HG13 VAL A 62 -0.766 -8.175 -0.838 1.00 1.22 H ATOM 904 HG21 VAL A 62 0.816 -11.232 -2.181 1.00 1.09 H ATOM 905 HG22 VAL A 62 0.317 -11.019 -0.504 1.00 1.23 H ATOM 906 HG23 VAL A 62 1.114 -9.700 -1.359 1.00 1.16 H ATOM 907 N PHE A 63 -3.560 -10.212 -3.607 1.00 0.45 N ATOM 908 CA PHE A 63 -4.873 -9.699 -3.988 1.00 0.45 C ATOM 909 C PHE A 63 -5.931 -10.785 -3.846 1.00 0.49 C ATOM 910 O PHE A 63 -6.965 -10.582 -3.213 1.00 0.53 O ATOM 911 CB PHE A 63 -4.865 -9.174 -5.429 1.00 0.47 C ATOM 912 CG PHE A 63 -4.001 -7.962 -5.632 1.00 0.39 C ATOM 913 CD1 PHE A 63 -4.393 -6.724 -5.149 1.00 0.31 C ATOM 914 CD2 PHE A 63 -2.794 -8.065 -6.302 1.00 0.48 C ATOM 915 CE1 PHE A 63 -3.596 -5.612 -5.330 1.00 0.30 C ATOM 916 CE2 PHE A 63 -1.994 -6.957 -6.487 1.00 0.46 C ATOM 917 CZ PHE A 63 -2.414 -5.716 -6.011 1.00 0.35 C ATOM 918 H PHE A 63 -2.841 -10.240 -4.275 1.00 0.46 H ATOM 919 HA PHE A 63 -5.117 -8.886 -3.319 1.00 0.43 H ATOM 920 HB2 PHE A 63 -4.503 -9.950 -6.089 1.00 0.53 H ATOM 921 HB3 PHE A 63 -5.876 -8.911 -5.713 1.00 0.52 H ATOM 922 HD1 PHE A 63 -5.332 -6.631 -4.624 1.00 0.35 H ATOM 923 HD2 PHE A 63 -2.480 -9.026 -6.684 1.00 0.61 H ATOM 924 HE1 PHE A 63 -3.913 -4.652 -4.950 1.00 0.34 H ATOM 925 HE2 PHE A 63 -1.055 -7.050 -7.013 1.00 0.57 H ATOM 926 HZ PHE A 63 -1.797 -4.842 -6.159 1.00 0.38 H ATOM 927 N LYS A 64 -5.639 -11.949 -4.413 1.00 0.51 N ATOM 928 CA LYS A 64 -6.574 -13.069 -4.413 1.00 0.57 C ATOM 929 C LYS A 64 -6.862 -13.549 -2.994 1.00 0.57 C ATOM 930 O LYS A 64 -7.996 -13.896 -2.666 1.00 0.61 O ATOM 931 CB LYS A 64 -6.009 -14.212 -5.263 1.00 0.67 C ATOM 932 CG LYS A 64 -5.953 -13.891 -6.753 1.00 1.35 C ATOM 933 CD LYS A 64 -4.939 -14.757 -7.488 1.00 1.76 C ATOM 934 CE LYS A 64 -5.218 -16.240 -7.315 1.00 2.16 C ATOM 935 NZ LYS A 64 -4.223 -17.075 -8.040 1.00 3.03 N1+ ATOM 936 H LYS A 64 -4.764 -12.062 -4.842 1.00 0.50 H ATOM 937 HA LYS A 64 -7.497 -12.726 -4.854 1.00 0.58 H ATOM 938 HB2 LYS A 64 -5.007 -14.434 -4.927 1.00 1.09 H ATOM 939 HB3 LYS A 64 -6.628 -15.087 -5.128 1.00 1.26 H ATOM 940 HG2 LYS A 64 -6.928 -14.063 -7.184 1.00 2.07 H ATOM 941 HG3 LYS A 64 -5.683 -12.854 -6.879 1.00 1.82 H ATOM 942 HD2 LYS A 64 -4.974 -14.519 -8.539 1.00 2.15 H ATOM 943 HD3 LYS A 64 -3.953 -14.540 -7.103 1.00 2.21 H ATOM 944 HE2 LYS A 64 -5.181 -16.481 -6.264 1.00 2.42 H ATOM 945 HE3 LYS A 64 -6.204 -16.454 -7.698 1.00 2.40 H ATOM 946 HZ1 LYS A 64 -3.271 -16.911 -7.658 1.00 3.31 H ATOM 947 HZ2 LYS A 64 -4.224 -16.836 -9.053 1.00 3.57 H ATOM 948 HZ3 LYS A 64 -4.457 -18.082 -7.937 1.00 3.40 H ATOM 949 N ASP A 65 -5.836 -13.553 -2.156 1.00 0.58 N ATOM 950 CA ASP A 65 -5.985 -13.959 -0.764 1.00 0.62 C ATOM 951 C ASP A 65 -6.713 -12.881 0.035 1.00 0.54 C ATOM 952 O ASP A 65 -7.571 -13.180 0.868 1.00 0.59 O ATOM 953 CB ASP A 65 -4.610 -14.232 -0.145 1.00 0.74 C ATOM 954 CG ASP A 65 -4.681 -14.672 1.302 1.00 1.35 C ATOM 955 OD1 ASP A 65 -4.740 -13.800 2.188 1.00 2.28 O1- ATOM 956 OD2 ASP A 65 -4.650 -15.896 1.561 1.00 1.26 O ATOM 957 H ASP A 65 -4.952 -13.282 -2.483 1.00 0.58 H ATOM 958 HA ASP A 65 -6.568 -14.866 -0.742 1.00 0.69 H ATOM 959 HB2 ASP A 65 -4.118 -15.009 -0.711 1.00 0.93 H ATOM 960 HB3 ASP A 65 -4.017 -13.331 -0.197 1.00 1.05 H ATOM 961 N GLY A 66 -6.381 -11.627 -0.253 1.00 0.50 N ATOM 962 CA GLY A 66 -6.913 -10.507 0.501 1.00 0.47 C ATOM 963 C GLY A 66 -8.406 -10.320 0.325 1.00 0.43 C ATOM 964 O GLY A 66 -9.089 -9.861 1.241 1.00 0.40 O ATOM 965 H GLY A 66 -5.758 -11.458 -0.995 1.00 0.54 H ATOM 966 HA2 GLY A 66 -6.706 -10.669 1.548 1.00 0.50 H ATOM 967 HA3 GLY A 66 -6.411 -9.604 0.182 1.00 0.49 H ATOM 968 N VAL A 67 -8.920 -10.678 -0.847 1.00 0.49 N ATOM 969 CA VAL A 67 -10.350 -10.561 -1.125 1.00 0.52 C ATOM 970 C VAL A 67 -11.162 -11.408 -0.145 1.00 0.52 C ATOM 971 O VAL A 67 -12.264 -11.033 0.255 1.00 0.59 O ATOM 972 CB VAL A 67 -10.679 -10.971 -2.581 1.00 0.66 C ATOM 973 CG1 VAL A 67 -12.181 -10.975 -2.827 1.00 1.04 C ATOM 974 CG2 VAL A 67 -9.995 -10.035 -3.564 1.00 0.92 C ATOM 975 H VAL A 67 -8.322 -11.024 -1.544 1.00 0.54 H ATOM 976 HA VAL A 67 -10.625 -9.526 -0.994 1.00 0.51 H ATOM 977 HB VAL A 67 -10.305 -11.971 -2.747 1.00 0.94 H ATOM 978 HG11 VAL A 67 -12.654 -11.677 -2.157 1.00 1.46 H ATOM 979 HG12 VAL A 67 -12.377 -11.264 -3.849 1.00 1.63 H ATOM 980 HG13 VAL A 67 -12.578 -9.987 -2.650 1.00 1.43 H ATOM 981 HG21 VAL A 67 -10.243 -10.328 -4.573 1.00 1.54 H ATOM 982 HG22 VAL A 67 -8.925 -10.087 -3.427 1.00 1.46 H ATOM 983 HG23 VAL A 67 -10.332 -9.023 -3.391 1.00 1.24 H ATOM 984 N GLY A 68 -10.592 -12.534 0.267 1.00 0.50 N ATOM 985 CA GLY A 68 -11.261 -13.401 1.219 1.00 0.53 C ATOM 986 C GLY A 68 -11.195 -12.864 2.637 1.00 0.43 C ATOM 987 O GLY A 68 -11.851 -13.385 3.536 1.00 0.51 O ATOM 988 H GLY A 68 -9.706 -12.777 -0.076 1.00 0.51 H ATOM 989 HA2 GLY A 68 -12.296 -13.501 0.931 1.00 0.59 H ATOM 990 HA3 GLY A 68 -10.794 -14.376 1.192 1.00 0.62 H ATOM 991 N ALA A 69 -10.416 -11.809 2.834 1.00 0.38 N ATOM 992 CA ALA A 69 -10.227 -11.226 4.155 1.00 0.32 C ATOM 993 C ALA A 69 -10.972 -9.900 4.274 1.00 0.29 C ATOM 994 O ALA A 69 -10.412 -8.896 4.716 1.00 0.31 O ATOM 995 CB ALA A 69 -8.745 -11.035 4.434 1.00 0.35 C ATOM 996 H ALA A 69 -9.963 -11.398 2.064 1.00 0.44 H ATOM 997 HA ALA A 69 -10.622 -11.918 4.883 1.00 0.37 H ATOM 998 HB1 ALA A 69 -8.339 -10.313 3.741 1.00 0.99 H ATOM 999 HB2 ALA A 69 -8.231 -11.977 4.315 1.00 0.96 H ATOM 1000 HB3 ALA A 69 -8.612 -10.678 5.444 1.00 1.00 H ATOM 1001 N ALA A 70 -12.244 -9.913 3.895 1.00 0.33 N ATOM 1002 CA ALA A 70 -13.065 -8.706 3.874 1.00 0.41 C ATOM 1003 C ALA A 70 -13.188 -8.080 5.259 1.00 0.50 C ATOM 1004 O ALA A 70 -13.287 -6.860 5.392 1.00 0.62 O ATOM 1005 CB ALA A 70 -14.446 -9.025 3.319 1.00 0.52 C ATOM 1006 H ALA A 70 -12.648 -10.766 3.629 1.00 0.38 H ATOM 1007 HA ALA A 70 -12.594 -7.995 3.213 1.00 0.42 H ATOM 1008 HB1 ALA A 70 -14.346 -9.476 2.343 1.00 1.29 H ATOM 1009 HB2 ALA A 70 -15.020 -8.114 3.237 1.00 1.12 H ATOM 1010 HB3 ALA A 70 -14.951 -9.710 3.984 1.00 0.97 H ATOM 1011 N ASP A 71 -13.170 -8.918 6.282 1.00 0.53 N ATOM 1012 CA ASP A 71 -13.349 -8.454 7.653 1.00 0.70 C ATOM 1013 C ASP A 71 -12.063 -7.872 8.225 1.00 0.64 C ATOM 1014 O ASP A 71 -12.093 -7.157 9.224 1.00 0.84 O ATOM 1015 CB ASP A 71 -13.843 -9.591 8.551 1.00 0.91 C ATOM 1016 CG ASP A 71 -15.250 -10.032 8.210 1.00 1.72 C ATOM 1017 OD1 ASP A 71 -16.211 -9.387 8.680 1.00 2.44 O ATOM 1018 OD2 ASP A 71 -15.403 -11.027 7.469 1.00 2.17 O1- ATOM 1019 H ASP A 71 -13.040 -9.877 6.113 1.00 0.50 H ATOM 1020 HA ASP A 71 -14.098 -7.677 7.637 1.00 0.86 H ATOM 1021 HB2 ASP A 71 -13.184 -10.439 8.441 1.00 1.43 H ATOM 1022 HB3 ASP A 71 -13.827 -9.261 9.579 1.00 1.34 H ATOM 1023 N THR A 72 -10.936 -8.169 7.597 1.00 0.48 N ATOM 1024 CA THR A 72 -9.655 -7.699 8.096 1.00 0.53 C ATOM 1025 C THR A 72 -8.974 -6.772 7.096 1.00 0.65 C ATOM 1026 O THR A 72 -7.829 -6.992 6.711 1.00 1.42 O ATOM 1027 CB THR A 72 -8.719 -8.872 8.448 1.00 0.64 C ATOM 1028 OG1 THR A 72 -8.671 -9.809 7.363 1.00 1.26 O ATOM 1029 CG2 THR A 72 -9.186 -9.576 9.714 1.00 1.46 C ATOM 1030 H THR A 72 -10.964 -8.709 6.778 1.00 0.43 H ATOM 1031 HA THR A 72 -9.845 -7.141 9.002 1.00 0.60 H ATOM 1032 HB THR A 72 -7.727 -8.480 8.617 1.00 1.46 H ATOM 1033 HG1 THR A 72 -7.894 -9.615 6.814 1.00 1.47 H ATOM 1034 HG21 THR A 72 -9.181 -8.877 10.537 1.00 2.06 H ATOM 1035 HG22 THR A 72 -8.523 -10.398 9.936 1.00 1.97 H ATOM 1036 HG23 THR A 72 -10.188 -9.951 9.568 1.00 1.93 H ATOM 1037 N ASP A 73 -9.709 -5.749 6.661 1.00 0.59 N ATOM 1038 CA ASP A 73 -9.169 -4.689 5.800 1.00 0.55 C ATOM 1039 C ASP A 73 -8.683 -5.232 4.457 1.00 0.43 C ATOM 1040 O ASP A 73 -7.853 -4.607 3.794 1.00 0.47 O ATOM 1041 CB ASP A 73 -8.020 -3.952 6.504 1.00 0.69 C ATOM 1042 CG ASP A 73 -8.446 -3.313 7.812 1.00 1.25 C ATOM 1043 OD1 ASP A 73 -9.162 -2.291 7.779 1.00 1.66 O ATOM 1044 OD2 ASP A 73 -8.060 -3.822 8.883 1.00 1.50 O1- ATOM 1045 H ASP A 73 -10.651 -5.700 6.930 1.00 1.12 H ATOM 1046 HA ASP A 73 -9.966 -3.987 5.615 1.00 0.57 H ATOM 1047 HB2 ASP A 73 -7.227 -4.654 6.713 1.00 0.89 H ATOM 1048 HB3 ASP A 73 -7.647 -3.178 5.850 1.00 0.83 H ATOM 1049 N TYR A 74 -9.209 -6.392 4.069 1.00 0.33 N ATOM 1050 CA TYR A 74 -8.824 -7.063 2.826 1.00 0.28 C ATOM 1051 C TYR A 74 -7.336 -7.397 2.809 1.00 0.35 C ATOM 1052 O TYR A 74 -6.690 -7.394 1.757 1.00 0.37 O ATOM 1053 CB TYR A 74 -9.215 -6.235 1.598 1.00 0.32 C ATOM 1054 CG TYR A 74 -10.706 -6.193 1.361 1.00 0.36 C ATOM 1055 CD1 TYR A 74 -11.400 -7.323 0.950 1.00 0.41 C ATOM 1056 CD2 TYR A 74 -11.417 -5.015 1.538 1.00 0.44 C ATOM 1057 CE1 TYR A 74 -12.764 -7.281 0.725 1.00 0.50 C ATOM 1058 CE2 TYR A 74 -12.779 -4.963 1.317 1.00 0.54 C ATOM 1059 CZ TYR A 74 -13.453 -6.134 0.939 1.00 0.57 C ATOM 1060 OH TYR A 74 -14.806 -6.048 0.691 1.00 0.68 O ATOM 1061 H TYR A 74 -9.873 -6.823 4.647 1.00 0.32 H ATOM 1062 HA TYR A 74 -9.371 -7.994 2.794 1.00 0.24 H ATOM 1063 HB2 TYR A 74 -8.872 -5.221 1.728 1.00 0.35 H ATOM 1064 HB3 TYR A 74 -8.752 -6.662 0.719 1.00 0.35 H ATOM 1065 HD1 TYR A 74 -10.860 -8.248 0.810 1.00 0.42 H ATOM 1066 HD2 TYR A 74 -10.890 -4.127 1.855 1.00 0.47 H ATOM 1067 HE1 TYR A 74 -13.287 -8.169 0.407 1.00 0.57 H ATOM 1068 HE2 TYR A 74 -13.313 -4.036 1.462 1.00 0.63 H ATOM 1069 HH TYR A 74 -15.224 -6.820 1.097 1.00 1.20 H ATOM 1070 N VAL A 75 -6.804 -7.677 3.990 1.00 0.45 N ATOM 1071 CA VAL A 75 -5.448 -8.176 4.139 1.00 0.57 C ATOM 1072 C VAL A 75 -5.465 -9.335 5.123 1.00 0.62 C ATOM 1073 O VAL A 75 -6.262 -9.345 6.065 1.00 0.66 O ATOM 1074 CB VAL A 75 -4.454 -7.090 4.635 1.00 0.72 C ATOM 1075 CG1 VAL A 75 -4.364 -5.941 3.643 1.00 1.12 C ATOM 1076 CG2 VAL A 75 -4.841 -6.575 6.012 1.00 1.38 C ATOM 1077 H VAL A 75 -7.350 -7.549 4.796 1.00 0.49 H ATOM 1078 HA VAL A 75 -5.116 -8.535 3.175 1.00 0.59 H ATOM 1079 HB VAL A 75 -3.474 -7.540 4.710 1.00 1.13 H ATOM 1080 HG11 VAL A 75 -5.344 -5.511 3.502 1.00 1.63 H ATOM 1081 HG12 VAL A 75 -3.994 -6.310 2.697 1.00 1.69 H ATOM 1082 HG13 VAL A 75 -3.691 -5.187 4.023 1.00 1.57 H ATOM 1083 HG21 VAL A 75 -5.807 -6.098 5.961 1.00 1.62 H ATOM 1084 HG22 VAL A 75 -4.104 -5.861 6.348 1.00 1.91 H ATOM 1085 HG23 VAL A 75 -4.882 -7.402 6.706 1.00 2.03 H ATOM 1156 N ARG A 81 3.654 -12.521 2.416 1.00 0.61 N ATOM 1157 CA ARG A 81 4.043 -11.906 1.153 1.00 0.73 C ATOM 1158 C ARG A 81 3.979 -10.389 1.264 1.00 0.72 C ATOM 1159 O ARG A 81 4.644 -9.668 0.519 1.00 0.96 O ATOM 1160 CB ARG A 81 3.131 -12.382 0.023 1.00 0.87 C ATOM 1161 CG ARG A 81 3.156 -13.886 -0.205 1.00 1.31 C ATOM 1162 CD ARG A 81 2.181 -14.285 -1.301 1.00 1.36 C ATOM 1163 NE ARG A 81 2.226 -15.714 -1.598 1.00 1.55 N ATOM 1164 CZ ARG A 81 1.910 -16.233 -2.783 1.00 1.73 C ATOM 1165 NH1 ARG A 81 1.590 -15.435 -3.795 1.00 1.75 N1+ ATOM 1166 NH2 ARG A 81 1.929 -17.547 -2.962 1.00 2.33 N ATOM 1167 H ARG A 81 2.703 -12.569 2.654 1.00 0.67 H ATOM 1168 HA ARG A 81 5.060 -12.198 0.937 1.00 0.82 H ATOM 1169 HB2 ARG A 81 2.115 -12.091 0.251 1.00 1.12 H ATOM 1170 HB3 ARG A 81 3.434 -11.897 -0.893 1.00 1.38 H ATOM 1171 HG2 ARG A 81 4.154 -14.182 -0.495 1.00 1.85 H ATOM 1172 HG3 ARG A 81 2.881 -14.387 0.712 1.00 1.67 H ATOM 1173 HD2 ARG A 81 1.181 -14.030 -0.984 1.00 1.74 H ATOM 1174 HD3 ARG A 81 2.425 -13.734 -2.198 1.00 1.46 H ATOM 1175 HE ARG A 81 2.491 -16.320 -0.867 1.00 1.91 H ATOM 1176 HH11 ARG A 81 1.587 -14.439 -3.671 1.00 1.86 H ATOM 1177 HH12 ARG A 81 1.357 -15.826 -4.691 1.00 1.99 H ATOM 1178 HH21 ARG A 81 2.184 -18.156 -2.206 1.00 2.76 H ATOM 1179 HH22 ARG A 81 1.695 -17.938 -3.857 1.00 2.50 H ATOM 1180 N VAL A 82 3.172 -9.915 2.201 1.00 0.60 N ATOM 1181 CA VAL A 82 3.002 -8.490 2.424 1.00 0.62 C ATOM 1182 C VAL A 82 4.062 -7.973 3.389 1.00 0.58 C ATOM 1183 O VAL A 82 4.262 -8.531 4.467 1.00 0.74 O ATOM 1184 CB VAL A 82 1.599 -8.176 2.989 1.00 0.69 C ATOM 1185 CG1 VAL A 82 1.423 -6.681 3.206 1.00 0.77 C ATOM 1186 CG2 VAL A 82 0.514 -8.706 2.066 1.00 0.78 C ATOM 1187 H VAL A 82 2.682 -10.541 2.767 1.00 0.66 H ATOM 1188 HA VAL A 82 3.113 -7.986 1.476 1.00 0.67 H ATOM 1189 HB VAL A 82 1.502 -8.670 3.945 1.00 0.70 H ATOM 1190 HG11 VAL A 82 1.524 -6.165 2.263 1.00 1.45 H ATOM 1191 HG12 VAL A 82 2.176 -6.325 3.893 1.00 1.13 H ATOM 1192 HG13 VAL A 82 0.442 -6.491 3.617 1.00 1.19 H ATOM 1193 HG21 VAL A 82 -0.455 -8.508 2.499 1.00 0.97 H ATOM 1194 HG22 VAL A 82 0.640 -9.769 1.934 1.00 1.28 H ATOM 1195 HG23 VAL A 82 0.585 -8.213 1.107 1.00 1.41 H ATOM 1196 N VAL A 83 4.748 -6.914 2.985 1.00 0.42 N ATOM 1197 CA VAL A 83 5.773 -6.308 3.817 1.00 0.42 C ATOM 1198 C VAL A 83 5.148 -5.300 4.772 1.00 0.38 C ATOM 1199 O VAL A 83 5.523 -5.213 5.940 1.00 0.43 O ATOM 1200 CB VAL A 83 6.845 -5.602 2.961 1.00 0.47 C ATOM 1201 CG1 VAL A 83 7.934 -5.010 3.839 1.00 0.65 C ATOM 1202 CG2 VAL A 83 7.442 -6.567 1.952 1.00 0.91 C ATOM 1203 H VAL A 83 4.555 -6.527 2.103 1.00 0.38 H ATOM 1204 HA VAL A 83 6.249 -7.090 4.389 1.00 0.49 H ATOM 1205 HB VAL A 83 6.371 -4.796 2.420 1.00 0.82 H ATOM 1206 HG11 VAL A 83 7.498 -4.289 4.515 1.00 1.34 H ATOM 1207 HG12 VAL A 83 8.673 -4.524 3.221 1.00 1.30 H ATOM 1208 HG13 VAL A 83 8.404 -5.797 4.409 1.00 1.08 H ATOM 1209 HG21 VAL A 83 7.877 -7.408 2.471 1.00 1.50 H ATOM 1210 HG22 VAL A 83 8.207 -6.060 1.383 1.00 1.51 H ATOM 1211 HG23 VAL A 83 6.669 -6.916 1.284 1.00 1.23 H ATOM 1212 N ALA A 84 4.183 -4.549 4.265 1.00 0.35 N ATOM 1213 CA ALA A 84 3.499 -3.542 5.057 1.00 0.34 C ATOM 1214 C ALA A 84 2.140 -3.224 4.454 1.00 0.31 C ATOM 1215 O ALA A 84 1.953 -3.338 3.241 1.00 0.31 O ATOM 1216 CB ALA A 84 4.344 -2.285 5.156 1.00 0.36 C ATOM 1217 H ALA A 84 3.917 -4.680 3.330 1.00 0.37 H ATOM 1218 HA ALA A 84 3.360 -3.938 6.053 1.00 0.35 H ATOM 1219 HB1 ALA A 84 4.503 -1.881 4.167 1.00 1.15 H ATOM 1220 HB2 ALA A 84 5.295 -2.527 5.604 1.00 0.95 H ATOM 1221 HB3 ALA A 84 3.833 -1.556 5.766 1.00 1.12 H ATOM 1222 N HIS A 85 1.195 -2.837 5.302 1.00 0.30 N ATOM 1223 CA HIS A 85 -0.162 -2.539 4.854 1.00 0.28 C ATOM 1224 C HIS A 85 -0.854 -1.583 5.810 1.00 0.28 C ATOM 1225 O HIS A 85 -0.661 -1.657 7.023 1.00 0.36 O ATOM 1226 CB HIS A 85 -0.993 -3.827 4.735 1.00 0.31 C ATOM 1227 CG HIS A 85 -0.998 -4.676 5.977 1.00 0.78 C ATOM 1228 ND1 HIS A 85 -2.035 -4.692 6.885 1.00 0.86 N ATOM 1229 CD2 HIS A 85 -0.085 -5.558 6.445 1.00 1.53 C ATOM 1230 CE1 HIS A 85 -1.755 -5.548 7.853 1.00 1.53 C ATOM 1231 NE2 HIS A 85 -0.577 -6.089 7.608 1.00 1.96 N ATOM 1232 H HIS A 85 1.414 -2.745 6.257 1.00 0.33 H ATOM 1233 HA HIS A 85 -0.095 -2.073 3.883 1.00 0.27 H ATOM 1234 HB2 HIS A 85 -2.018 -3.562 4.519 1.00 0.53 H ATOM 1235 HB3 HIS A 85 -0.606 -4.425 3.923 1.00 0.79 H ATOM 1236 HD1 HIS A 85 -2.856 -4.151 6.835 1.00 0.68 H ATOM 1237 HD2 HIS A 85 0.866 -5.795 5.990 1.00 1.78 H ATOM 1238 HE1 HIS A 85 -2.386 -5.766 8.701 1.00 1.75 H ATOM 1239 HE2 HIS A 85 -0.263 -6.941 8.004 1.00 2.53 H ATOM 1240 N THR A 86 -1.651 -0.684 5.256 1.00 0.25 N ATOM 1241 CA THR A 86 -2.494 0.183 6.058 1.00 0.27 C ATOM 1242 C THR A 86 -3.855 -0.474 6.260 1.00 0.31 C ATOM 1243 O THR A 86 -4.178 -1.466 5.602 1.00 0.50 O ATOM 1244 CB THR A 86 -2.695 1.560 5.394 1.00 0.24 C ATOM 1245 OG1 THR A 86 -3.269 1.393 4.094 1.00 0.27 O ATOM 1246 CG2 THR A 86 -1.384 2.318 5.275 1.00 0.29 C ATOM 1247 H THR A 86 -1.672 -0.598 4.278 1.00 0.25 H ATOM 1248 HA THR A 86 -2.019 0.325 7.019 1.00 0.29 H ATOM 1249 HB THR A 86 -3.374 2.139 6.004 1.00 0.26 H ATOM 1250 HG1 THR A 86 -4.221 1.532 4.149 1.00 0.75 H ATOM 1251 HG21 THR A 86 -1.584 3.338 4.984 1.00 0.87 H ATOM 1252 HG22 THR A 86 -0.769 1.848 4.524 1.00 0.95 H ATOM 1253 HG23 THR A 86 -0.869 2.307 6.223 1.00 0.93 H ATOM 1254 N LYS A 87 -4.642 0.075 7.169 1.00 0.29 N ATOM 1255 CA LYS A 87 -5.988 -0.421 7.417 1.00 0.32 C ATOM 1256 C LYS A 87 -6.996 0.368 6.586 1.00 0.29 C ATOM 1257 O LYS A 87 -6.687 1.461 6.108 1.00 0.35 O ATOM 1258 CB LYS A 87 -6.307 -0.313 8.909 1.00 0.40 C ATOM 1259 CG LYS A 87 -5.391 -1.167 9.774 1.00 1.07 C ATOM 1260 CD LYS A 87 -5.607 -0.921 11.257 1.00 1.29 C ATOM 1261 CE LYS A 87 -5.065 0.434 11.684 1.00 1.83 C ATOM 1262 NZ LYS A 87 -3.606 0.560 11.416 1.00 2.85 N1+ ATOM 1263 H LYS A 87 -4.312 0.835 7.689 1.00 0.36 H ATOM 1264 HA LYS A 87 -6.021 -1.458 7.119 1.00 0.38 H ATOM 1265 HB2 LYS A 87 -6.207 0.717 9.217 1.00 0.79 H ATOM 1266 HB3 LYS A 87 -7.325 -0.634 9.075 1.00 0.87 H ATOM 1267 HG2 LYS A 87 -5.584 -2.207 9.564 1.00 1.64 H ATOM 1268 HG3 LYS A 87 -4.365 -0.935 9.526 1.00 1.57 H ATOM 1269 HD2 LYS A 87 -6.665 -0.956 11.467 1.00 1.84 H ATOM 1270 HD3 LYS A 87 -5.100 -1.694 11.817 1.00 1.73 H ATOM 1271 HE2 LYS A 87 -5.589 1.205 11.142 1.00 2.18 H ATOM 1272 HE3 LYS A 87 -5.238 0.558 12.743 1.00 2.18 H ATOM 1273 HZ1 LYS A 87 -3.091 -0.240 11.835 1.00 3.32 H ATOM 1274 HZ2 LYS A 87 -3.242 1.442 11.825 1.00 3.32 H ATOM 1275 HZ3 LYS A 87 -3.426 0.573 10.391 1.00 3.19 H ATOM 1276 N LEU A 88 -8.191 -0.195 6.408 1.00 0.30 N ATOM 1277 CA LEU A 88 -9.228 0.449 5.609 1.00 0.37 C ATOM 1278 C LEU A 88 -9.697 1.730 6.270 1.00 0.36 C ATOM 1279 O LEU A 88 -10.273 1.713 7.361 1.00 0.50 O ATOM 1280 CB LEU A 88 -10.431 -0.472 5.388 1.00 0.52 C ATOM 1281 CG LEU A 88 -10.278 -1.535 4.294 1.00 0.56 C ATOM 1282 CD1 LEU A 88 -11.604 -2.249 4.079 1.00 1.24 C ATOM 1283 CD2 LEU A 88 -9.790 -0.912 2.989 1.00 0.92 C ATOM 1284 H LEU A 88 -8.387 -1.057 6.845 1.00 0.33 H ATOM 1285 HA LEU A 88 -8.797 0.697 4.652 1.00 0.37 H ATOM 1286 HB2 LEU A 88 -10.635 -0.981 6.320 1.00 1.08 H ATOM 1287 HB3 LEU A 88 -11.284 0.142 5.144 1.00 0.96 H ATOM 1288 HG LEU A 88 -9.551 -2.268 4.610 1.00 1.28 H ATOM 1289 HD11 LEU A 88 -11.470 -3.055 3.377 1.00 1.77 H ATOM 1290 HD12 LEU A 88 -12.328 -1.549 3.687 1.00 1.65 H ATOM 1291 HD13 LEU A 88 -11.962 -2.644 5.019 1.00 1.90 H ATOM 1292 HD21 LEU A 88 -8.796 -0.516 3.126 1.00 1.61 H ATOM 1293 HD22 LEU A 88 -10.456 -0.114 2.700 1.00 1.43 H ATOM 1294 HD23 LEU A 88 -9.774 -1.665 2.213 1.00 1.41 H ATOM 1295 N ILE A 89 -9.450 2.833 5.600 1.00 0.31 N ATOM 1296 CA ILE A 89 -9.813 4.136 6.118 1.00 0.31 C ATOM 1297 C ILE A 89 -10.885 4.787 5.255 1.00 0.33 C ATOM 1298 O ILE A 89 -10.843 4.708 4.025 1.00 0.35 O ATOM 1299 CB ILE A 89 -8.579 5.058 6.215 1.00 0.27 C ATOM 1300 CG1 ILE A 89 -7.804 5.072 4.891 1.00 0.23 C ATOM 1301 CG2 ILE A 89 -7.682 4.608 7.360 1.00 0.28 C ATOM 1302 CD1 ILE A 89 -6.635 6.034 4.881 1.00 0.21 C ATOM 1303 H ILE A 89 -9.009 2.770 4.724 1.00 0.34 H ATOM 1304 HA ILE A 89 -10.208 3.995 7.114 1.00 0.33 H ATOM 1305 HB ILE A 89 -8.923 6.056 6.433 1.00 0.29 H ATOM 1306 HG12 ILE A 89 -7.416 4.082 4.699 1.00 0.23 H ATOM 1307 HG13 ILE A 89 -8.475 5.351 4.092 1.00 0.25 H ATOM 1308 HG21 ILE A 89 -8.239 4.632 8.285 1.00 1.00 H ATOM 1309 HG22 ILE A 89 -6.832 5.270 7.433 1.00 1.10 H ATOM 1310 HG23 ILE A 89 -7.338 3.602 7.174 1.00 0.97 H ATOM 1311 HD11 ILE A 89 -5.920 5.739 5.634 1.00 1.06 H ATOM 1312 HD12 ILE A 89 -6.988 7.032 5.092 1.00 1.01 H ATOM 1313 HD13 ILE A 89 -6.163 6.016 3.911 1.00 1.03 H ATOM 1314 N GLY A 90 -11.861 5.399 5.913 1.00 0.34 N ATOM 1315 CA GLY A 90 -12.926 6.088 5.215 1.00 0.37 C ATOM 1316 C GLY A 90 -12.566 7.527 4.902 1.00 0.51 C ATOM 1317 O GLY A 90 -11.428 7.951 5.117 1.00 0.79 O ATOM 1318 H GLY A 90 -11.862 5.380 6.901 1.00 0.34 H ATOM 1319 HA2 GLY A 90 -13.133 5.569 4.290 1.00 0.41 H ATOM 1320 HA3 GLY A 90 -13.814 6.078 5.832 1.00 0.51 H ATOM 1321 N GLY A 91 -13.533 8.276 4.391 1.00 0.60 N ATOM 1322 CA GLY A 91 -13.295 9.659 4.024 1.00 0.81 C ATOM 1323 C GLY A 91 -12.959 10.533 5.217 1.00 0.57 C ATOM 1324 O GLY A 91 -13.807 10.779 6.071 1.00 0.70 O ATOM 1325 H GLY A 91 -14.425 7.883 4.260 1.00 0.72 H ATOM 1326 HA2 GLY A 91 -12.476 9.696 3.322 1.00 1.07 H ATOM 1327 HA3 GLY A 91 -14.180 10.050 3.546 1.00 1.15 H ATOM 1328 N GLY A 92 -11.717 10.994 5.274 1.00 0.54 N ATOM 1329 CA GLY A 92 -11.286 11.856 6.355 1.00 0.56 C ATOM 1330 C GLY A 92 -10.262 11.183 7.247 1.00 0.52 C ATOM 1331 O GLY A 92 -9.546 11.845 8.001 1.00 0.80 O ATOM 1332 H GLY A 92 -11.076 10.738 4.570 1.00 0.73 H ATOM 1333 HA2 GLY A 92 -10.852 12.754 5.939 1.00 0.75 H ATOM 1334 HA3 GLY A 92 -12.147 12.125 6.952 1.00 0.61 H ATOM 1335 N GLU A 93 -10.177 9.865 7.145 1.00 0.34 N ATOM 1336 CA GLU A 93 -9.296 9.089 8.006 1.00 0.27 C ATOM 1337 C GLU A 93 -7.889 8.995 7.431 1.00 0.23 C ATOM 1338 O GLU A 93 -7.637 9.398 6.290 1.00 0.29 O ATOM 1339 CB GLU A 93 -9.858 7.685 8.218 1.00 0.30 C ATOM 1340 CG GLU A 93 -11.084 7.631 9.113 1.00 0.38 C ATOM 1341 CD GLU A 93 -11.578 6.216 9.307 1.00 1.32 C ATOM 1342 OE1 GLU A 93 -11.093 5.533 10.231 1.00 1.33 O ATOM 1343 OE2 GLU A 93 -12.446 5.774 8.529 1.00 2.34 O1- ATOM 1344 H GLU A 93 -10.712 9.401 6.463 1.00 0.47 H ATOM 1345 HA GLU A 93 -9.244 9.591 8.960 1.00 0.28 H ATOM 1346 HB2 GLU A 93 -10.130 7.275 7.256 1.00 0.35 H ATOM 1347 HB3 GLU A 93 -9.089 7.066 8.659 1.00 0.34 H ATOM 1348 HG2 GLU A 93 -10.832 8.045 10.080 1.00 0.80 H ATOM 1349 HG3 GLU A 93 -11.874 8.217 8.666 1.00 0.91 H ATOM 1350 N GLU A 94 -6.977 8.467 8.235 1.00 0.21 N ATOM 1351 CA GLU A 94 -5.589 8.304 7.839 1.00 0.21 C ATOM 1352 C GLU A 94 -4.948 7.160 8.615 1.00 0.22 C ATOM 1353 O GLU A 94 -5.310 6.900 9.763 1.00 0.28 O ATOM 1354 CB GLU A 94 -4.813 9.601 8.088 1.00 0.25 C ATOM 1355 CG GLU A 94 -4.880 10.082 9.526 1.00 0.83 C ATOM 1356 CD GLU A 94 -4.117 11.366 9.742 1.00 1.27 C ATOM 1357 OE1 GLU A 94 -4.641 12.441 9.383 1.00 1.67 O1- ATOM 1358 OE2 GLU A 94 -2.982 11.303 10.262 1.00 1.86 O ATOM 1359 H GLU A 94 -7.248 8.172 9.133 1.00 0.24 H ATOM 1360 HA GLU A 94 -5.566 8.072 6.783 1.00 0.23 H ATOM 1361 HB2 GLU A 94 -3.775 9.444 7.834 1.00 0.79 H ATOM 1362 HB3 GLU A 94 -5.218 10.378 7.456 1.00 0.79 H ATOM 1363 HG2 GLU A 94 -5.913 10.247 9.791 1.00 1.45 H ATOM 1364 HG3 GLU A 94 -4.460 9.318 10.164 1.00 1.66 H ATOM 1365 N SER A 95 -4.006 6.478 7.985 1.00 0.22 N ATOM 1366 CA SER A 95 -3.270 5.409 8.641 1.00 0.27 C ATOM 1367 C SER A 95 -1.910 5.251 7.972 1.00 0.23 C ATOM 1368 O SER A 95 -1.766 5.517 6.777 1.00 0.29 O ATOM 1369 CB SER A 95 -4.061 4.094 8.591 1.00 0.37 C ATOM 1370 OG SER A 95 -3.498 3.119 9.455 1.00 1.35 O ATOM 1371 H SER A 95 -3.790 6.704 7.051 1.00 0.21 H ATOM 1372 HA SER A 95 -3.121 5.694 9.673 1.00 0.31 H ATOM 1373 HB2 SER A 95 -5.081 4.278 8.898 1.00 0.95 H ATOM 1374 HB3 SER A 95 -4.052 3.709 7.581 1.00 0.81 H ATOM 1375 HG SER A 95 -3.342 3.514 10.322 1.00 1.86 H ATOM 1376 N SER A 96 -0.914 4.841 8.739 1.00 0.28 N ATOM 1377 CA SER A 96 0.442 4.740 8.234 1.00 0.25 C ATOM 1378 C SER A 96 0.992 3.329 8.400 1.00 0.27 C ATOM 1379 O SER A 96 0.490 2.544 9.206 1.00 0.35 O ATOM 1380 CB SER A 96 1.335 5.749 8.962 1.00 0.29 C ATOM 1381 OG SER A 96 1.158 5.665 10.366 1.00 1.00 O ATOM 1382 H SER A 96 -1.094 4.597 9.672 1.00 0.41 H ATOM 1383 HA SER A 96 0.422 4.982 7.181 1.00 0.22 H ATOM 1384 HB2 SER A 96 2.370 5.543 8.733 1.00 0.79 H ATOM 1385 HB3 SER A 96 1.084 6.750 8.640 1.00 0.85 H ATOM 1386 HG SER A 96 1.329 6.530 10.759 1.00 1.19 H ATOM 1387 N LEU A 97 2.012 3.013 7.617 1.00 0.22 N ATOM 1388 CA LEU A 97 2.697 1.735 7.717 1.00 0.25 C ATOM 1389 C LEU A 97 4.200 1.962 7.778 1.00 0.24 C ATOM 1390 O LEU A 97 4.682 3.036 7.419 1.00 0.21 O ATOM 1391 CB LEU A 97 2.327 0.826 6.532 1.00 0.26 C ATOM 1392 CG LEU A 97 2.599 1.390 5.121 1.00 0.23 C ATOM 1393 CD1 LEU A 97 4.079 1.320 4.757 1.00 0.23 C ATOM 1394 CD2 LEU A 97 1.783 0.638 4.084 1.00 0.25 C ATOM 1395 H LEU A 97 2.316 3.666 6.948 1.00 0.20 H ATOM 1396 HA LEU A 97 2.380 1.264 8.635 1.00 0.29 H ATOM 1397 HB2 LEU A 97 2.876 -0.097 6.637 1.00 0.28 H ATOM 1398 HB3 LEU A 97 1.272 0.601 6.606 1.00 0.28 H ATOM 1399 HG LEU A 97 2.299 2.429 5.093 1.00 0.22 H ATOM 1400 HD11 LEU A 97 4.238 1.798 3.802 1.00 1.00 H ATOM 1401 HD12 LEU A 97 4.384 0.288 4.694 1.00 0.99 H ATOM 1402 HD13 LEU A 97 4.662 1.822 5.513 1.00 0.91 H ATOM 1403 HD21 LEU A 97 2.115 -0.389 4.043 1.00 0.99 H ATOM 1404 HD22 LEU A 97 1.918 1.098 3.117 1.00 1.13 H ATOM 1405 HD23 LEU A 97 0.740 0.667 4.354 1.00 0.91 H ATOM 1406 N THR A 98 4.935 0.958 8.221 1.00 0.31 N ATOM 1407 CA THR A 98 6.383 1.055 8.301 1.00 0.31 C ATOM 1408 C THR A 98 7.025 -0.258 7.862 1.00 0.32 C ATOM 1409 O THR A 98 6.600 -1.334 8.281 1.00 0.41 O ATOM 1410 CB THR A 98 6.836 1.412 9.732 1.00 0.37 C ATOM 1411 OG1 THR A 98 6.192 2.620 10.162 1.00 1.14 O ATOM 1412 CG2 THR A 98 8.343 1.592 9.800 1.00 0.79 C ATOM 1413 H THR A 98 4.496 0.122 8.494 1.00 0.37 H ATOM 1414 HA THR A 98 6.701 1.843 7.635 1.00 0.27 H ATOM 1415 HB THR A 98 6.554 0.606 10.392 1.00 0.78 H ATOM 1416 HG1 THR A 98 5.235 2.514 10.095 1.00 1.78 H ATOM 1417 HG21 THR A 98 8.628 1.844 10.810 1.00 1.25 H ATOM 1418 HG22 THR A 98 8.640 2.387 9.132 1.00 1.51 H ATOM 1419 HG23 THR A 98 8.828 0.673 9.506 1.00 1.23 H ATOM 1420 N LEU A 99 8.037 -0.165 7.009 1.00 0.30 N ATOM 1421 CA LEU A 99 8.690 -1.349 6.460 1.00 0.34 C ATOM 1422 C LEU A 99 10.209 -1.194 6.453 1.00 0.32 C ATOM 1423 O LEU A 99 10.730 -0.080 6.560 1.00 0.29 O ATOM 1424 CB LEU A 99 8.168 -1.616 5.040 1.00 0.37 C ATOM 1425 CG LEU A 99 8.269 -0.442 4.057 1.00 0.37 C ATOM 1426 CD1 LEU A 99 9.633 -0.399 3.385 1.00 0.42 C ATOM 1427 CD2 LEU A 99 7.173 -0.529 3.013 1.00 0.49 C ATOM 1428 H LEU A 99 8.354 0.726 6.738 1.00 0.30 H ATOM 1429 HA LEU A 99 8.431 -2.188 7.090 1.00 0.41 H ATOM 1430 HB2 LEU A 99 8.724 -2.444 4.626 1.00 0.42 H ATOM 1431 HB3 LEU A 99 7.130 -1.903 5.112 1.00 0.44 H ATOM 1432 HG LEU A 99 8.137 0.481 4.601 1.00 0.43 H ATOM 1433 HD11 LEU A 99 10.401 -0.279 4.134 1.00 1.16 H ATOM 1434 HD12 LEU A 99 9.667 0.433 2.697 1.00 1.02 H ATOM 1435 HD13 LEU A 99 9.798 -1.319 2.844 1.00 1.08 H ATOM 1436 HD21 LEU A 99 7.226 -1.484 2.513 1.00 1.13 H ATOM 1437 HD22 LEU A 99 7.304 0.263 2.289 1.00 1.11 H ATOM 1438 HD23 LEU A 99 6.211 -0.425 3.491 1.00 1.05 H ATOM 1439 N ASP A 100 10.906 -2.320 6.332 1.00 0.38 N ATOM 1440 CA ASP A 100 12.362 -2.326 6.254 1.00 0.40 C ATOM 1441 C ASP A 100 12.808 -2.405 4.797 1.00 0.38 C ATOM 1442 O ASP A 100 12.558 -3.404 4.116 1.00 0.42 O ATOM 1443 CB ASP A 100 12.934 -3.515 7.038 1.00 0.50 C ATOM 1444 CG ASP A 100 14.454 -3.505 7.123 1.00 1.26 C ATOM 1445 OD1 ASP A 100 15.077 -2.605 6.520 1.00 2.08 O1- ATOM 1446 OD2 ASP A 100 15.039 -4.395 7.777 1.00 1.72 O ATOM 1447 H ASP A 100 10.427 -3.177 6.298 1.00 0.44 H ATOM 1448 HA ASP A 100 12.724 -1.407 6.686 1.00 0.41 H ATOM 1449 HB2 ASP A 100 12.540 -3.496 8.041 1.00 0.99 H ATOM 1450 HB3 ASP A 100 12.627 -4.431 6.555 1.00 1.13 H ATOM 1451 N PRO A 101 13.470 -1.341 4.304 1.00 0.38 N ATOM 1452 CA PRO A 101 13.971 -1.268 2.924 1.00 0.41 C ATOM 1453 C PRO A 101 14.853 -2.452 2.538 1.00 0.39 C ATOM 1454 O PRO A 101 14.933 -2.817 1.364 1.00 0.43 O ATOM 1455 CB PRO A 101 14.802 0.017 2.910 1.00 0.46 C ATOM 1456 CG PRO A 101 14.248 0.851 4.010 1.00 0.53 C ATOM 1457 CD PRO A 101 13.763 -0.109 5.062 1.00 0.43 C ATOM 1458 HA PRO A 101 13.164 -1.182 2.216 1.00 0.45 H ATOM 1459 HB2 PRO A 101 15.839 -0.227 3.083 1.00 0.60 H ATOM 1460 HB3 PRO A 101 14.698 0.507 1.953 1.00 0.60 H ATOM 1461 HG2 PRO A 101 15.024 1.488 4.413 1.00 0.87 H ATOM 1462 HG3 PRO A 101 13.427 1.449 3.640 1.00 0.67 H ATOM 1463 HD2 PRO A 101 14.536 -0.284 5.798 1.00 0.54 H ATOM 1464 HD3 PRO A 101 12.871 0.274 5.535 1.00 0.45 H ATOM 1465 N ALA A 102 15.501 -3.058 3.528 1.00 0.42 N ATOM 1466 CA ALA A 102 16.405 -4.174 3.285 1.00 0.48 C ATOM 1467 C ALA A 102 15.675 -5.346 2.642 1.00 0.46 C ATOM 1468 O ALA A 102 16.254 -6.097 1.860 1.00 0.49 O ATOM 1469 CB ALA A 102 17.061 -4.614 4.586 1.00 0.62 C ATOM 1470 H ALA A 102 15.363 -2.746 4.449 1.00 0.44 H ATOM 1471 HA ALA A 102 17.181 -3.835 2.616 1.00 0.52 H ATOM 1472 HB1 ALA A 102 17.566 -3.773 5.036 1.00 1.15 H ATOM 1473 HB2 ALA A 102 17.777 -5.397 4.381 1.00 1.23 H ATOM 1474 HB3 ALA A 102 16.305 -4.984 5.262 1.00 1.20 H ATOM 1475 N LYS A 103 14.395 -5.481 2.956 1.00 0.47 N ATOM 1476 CA LYS A 103 13.598 -6.588 2.450 1.00 0.52 C ATOM 1477 C LYS A 103 13.197 -6.348 0.995 1.00 0.52 C ATOM 1478 O LYS A 103 12.974 -7.288 0.235 1.00 0.69 O ATOM 1479 CB LYS A 103 12.353 -6.776 3.320 1.00 0.60 C ATOM 1480 CG LYS A 103 11.540 -8.008 2.966 1.00 1.28 C ATOM 1481 CD LYS A 103 10.318 -8.139 3.856 1.00 1.53 C ATOM 1482 CE LYS A 103 9.536 -9.406 3.550 1.00 2.13 C ATOM 1483 NZ LYS A 103 10.354 -10.630 3.759 1.00 2.92 N1+ ATOM 1484 H LYS A 103 13.971 -4.815 3.543 1.00 0.50 H ATOM 1485 HA LYS A 103 14.203 -7.481 2.502 1.00 0.58 H ATOM 1486 HB2 LYS A 103 12.660 -6.859 4.352 1.00 0.99 H ATOM 1487 HB3 LYS A 103 11.719 -5.909 3.212 1.00 0.88 H ATOM 1488 HG2 LYS A 103 11.218 -7.931 1.939 1.00 1.96 H ATOM 1489 HG3 LYS A 103 12.160 -8.884 3.088 1.00 1.90 H ATOM 1490 HD2 LYS A 103 10.636 -8.166 4.887 1.00 1.89 H ATOM 1491 HD3 LYS A 103 9.677 -7.285 3.699 1.00 2.01 H ATOM 1492 HE2 LYS A 103 8.673 -9.447 4.198 1.00 2.44 H ATOM 1493 HE3 LYS A 103 9.211 -9.371 2.520 1.00 2.49 H ATOM 1494 HZ1 LYS A 103 9.787 -11.479 3.554 1.00 3.51 H ATOM 1495 HZ2 LYS A 103 10.686 -10.678 4.743 1.00 3.15 H ATOM 1496 HZ3 LYS A 103 11.181 -10.623 3.130 1.00 3.29 H ATOM 1497 N LEU A 104 13.135 -5.083 0.603 1.00 0.43 N ATOM 1498 CA LEU A 104 12.698 -4.721 -0.743 1.00 0.44 C ATOM 1499 C LEU A 104 13.858 -4.794 -1.725 1.00 0.47 C ATOM 1500 O LEU A 104 13.674 -4.663 -2.935 1.00 0.51 O ATOM 1501 CB LEU A 104 12.091 -3.313 -0.764 1.00 0.43 C ATOM 1502 CG LEU A 104 10.617 -3.204 -0.342 1.00 0.70 C ATOM 1503 CD1 LEU A 104 10.400 -3.725 1.070 1.00 1.22 C ATOM 1504 CD2 LEU A 104 10.147 -1.762 -0.446 1.00 1.30 C ATOM 1505 H LEU A 104 13.406 -4.375 1.226 1.00 0.44 H ATOM 1506 HA LEU A 104 11.945 -5.433 -1.044 1.00 0.47 H ATOM 1507 HB2 LEU A 104 12.677 -2.689 -0.103 1.00 0.46 H ATOM 1508 HB3 LEU A 104 12.185 -2.926 -1.770 1.00 0.51 H ATOM 1509 HG LEU A 104 10.012 -3.799 -1.012 1.00 1.66 H ATOM 1510 HD11 LEU A 104 9.354 -3.638 1.327 1.00 1.74 H ATOM 1511 HD12 LEU A 104 10.990 -3.146 1.765 1.00 1.92 H ATOM 1512 HD13 LEU A 104 10.697 -4.762 1.121 1.00 1.59 H ATOM 1513 HD21 LEU A 104 10.763 -1.136 0.182 1.00 1.92 H ATOM 1514 HD22 LEU A 104 9.119 -1.696 -0.122 1.00 1.86 H ATOM 1515 HD23 LEU A 104 10.222 -1.431 -1.472 1.00 1.80 H ATOM 1516 N ALA A 105 15.048 -5.024 -1.196 1.00 0.55 N ATOM 1517 CA ALA A 105 16.252 -5.076 -2.009 1.00 0.63 C ATOM 1518 C ALA A 105 16.377 -6.413 -2.737 1.00 0.72 C ATOM 1519 O ALA A 105 17.300 -6.615 -3.527 1.00 1.08 O ATOM 1520 CB ALA A 105 17.479 -4.826 -1.143 1.00 0.73 C ATOM 1521 H ALA A 105 15.119 -5.157 -0.228 1.00 0.61 H ATOM 1522 HA ALA A 105 16.190 -4.284 -2.739 1.00 0.64 H ATOM 1523 HB1 ALA A 105 17.559 -5.605 -0.399 1.00 1.11 H ATOM 1524 HB2 ALA A 105 17.383 -3.869 -0.652 1.00 1.40 H ATOM 1525 HB3 ALA A 105 18.363 -4.827 -1.762 1.00 1.23 H ATOM 1526 N ASP A 106 15.443 -7.319 -2.475 1.00 0.69 N ATOM 1527 CA ASP A 106 15.485 -8.654 -3.069 1.00 0.81 C ATOM 1528 C ASP A 106 14.817 -8.695 -4.440 1.00 0.82 C ATOM 1529 O ASP A 106 15.025 -9.638 -5.203 1.00 1.27 O ATOM 1530 CB ASP A 106 14.823 -9.689 -2.153 1.00 1.07 C ATOM 1531 CG ASP A 106 15.609 -9.944 -0.885 1.00 1.45 C ATOM 1532 OD1 ASP A 106 16.667 -10.604 -0.957 1.00 2.04 O1- ATOM 1533 OD2 ASP A 106 15.183 -9.473 0.191 1.00 1.96 O ATOM 1534 H ASP A 106 14.714 -7.087 -1.862 1.00 0.83 H ATOM 1535 HA ASP A 106 16.525 -8.920 -3.189 1.00 0.87 H ATOM 1536 HB2 ASP A 106 13.839 -9.341 -1.878 1.00 1.46 H ATOM 1537 HB3 ASP A 106 14.729 -10.622 -2.689 1.00 1.43 H ATOM 1538 N GLY A 107 14.018 -7.684 -4.763 1.00 0.61 N ATOM 1539 CA GLY A 107 13.310 -7.699 -6.031 1.00 0.74 C ATOM 1540 C GLY A 107 12.437 -6.480 -6.240 1.00 0.60 C ATOM 1541 O GLY A 107 12.618 -5.453 -5.584 1.00 0.52 O ATOM 1542 H GLY A 107 13.919 -6.923 -4.153 1.00 0.67 H ATOM 1543 HA2 GLY A 107 14.032 -7.749 -6.832 1.00 0.92 H ATOM 1544 HA3 GLY A 107 12.687 -8.581 -6.066 1.00 0.94 H ATOM 1545 N ASP A 108 11.483 -6.597 -7.155 1.00 0.64 N ATOM 1546 CA ASP A 108 10.591 -5.496 -7.472 1.00 0.59 C ATOM 1547 C ASP A 108 9.303 -5.599 -6.670 1.00 0.43 C ATOM 1548 O ASP A 108 8.585 -6.598 -6.729 1.00 0.38 O ATOM 1549 CB ASP A 108 10.295 -5.439 -8.979 1.00 0.73 C ATOM 1550 CG ASP A 108 9.636 -6.692 -9.530 1.00 1.22 C ATOM 1551 OD1 ASP A 108 10.201 -7.797 -9.369 1.00 2.02 O1- ATOM 1552 OD2 ASP A 108 8.562 -6.573 -10.159 1.00 1.56 O ATOM 1553 H ASP A 108 11.370 -7.449 -7.627 1.00 0.73 H ATOM 1554 HA ASP A 108 11.093 -4.586 -7.185 1.00 0.63 H ATOM 1555 HB2 ASP A 108 9.635 -4.607 -9.171 1.00 1.07 H ATOM 1556 HB3 ASP A 108 11.223 -5.282 -9.511 1.00 1.40 H ATOM 1557 N TYR A 109 9.043 -4.570 -5.886 1.00 0.39 N ATOM 1558 CA TYR A 109 7.863 -4.527 -5.041 1.00 0.32 C ATOM 1559 C TYR A 109 6.840 -3.556 -5.605 1.00 0.30 C ATOM 1560 O TYR A 109 7.185 -2.636 -6.349 1.00 0.35 O ATOM 1561 CB TYR A 109 8.247 -4.147 -3.606 1.00 0.35 C ATOM 1562 CG TYR A 109 8.950 -5.262 -2.866 1.00 0.31 C ATOM 1563 CD1 TYR A 109 10.178 -5.739 -3.300 1.00 0.37 C ATOM 1564 CD2 TYR A 109 8.397 -5.823 -1.721 1.00 0.39 C ATOM 1565 CE1 TYR A 109 10.834 -6.743 -2.615 1.00 0.39 C ATOM 1566 CE2 TYR A 109 9.046 -6.826 -1.033 1.00 0.39 C ATOM 1567 CZ TYR A 109 10.217 -7.343 -1.529 1.00 0.34 C ATOM 1568 OH TYR A 109 10.916 -8.285 -0.801 1.00 0.40 O ATOM 1569 H TYR A 109 9.658 -3.808 -5.883 1.00 0.44 H ATOM 1570 HA TYR A 109 7.431 -5.517 -5.036 1.00 0.30 H ATOM 1571 HB2 TYR A 109 8.909 -3.294 -3.626 1.00 0.42 H ATOM 1572 HB3 TYR A 109 7.356 -3.890 -3.054 1.00 0.40 H ATOM 1573 HD1 TYR A 109 10.621 -5.316 -4.190 1.00 0.49 H ATOM 1574 HD2 TYR A 109 7.441 -5.463 -1.371 1.00 0.53 H ATOM 1575 HE1 TYR A 109 11.789 -7.100 -2.970 1.00 0.53 H ATOM 1576 HE2 TYR A 109 8.596 -7.246 -0.146 1.00 0.52 H ATOM 1577 HH TYR A 109 10.337 -9.060 -0.748 1.00 0.87 H ATOM 1578 N LYS A 110 5.581 -3.776 -5.271 1.00 0.28 N ATOM 1579 CA LYS A 110 4.511 -2.913 -5.741 1.00 0.29 C ATOM 1580 C LYS A 110 3.682 -2.416 -4.570 1.00 0.22 C ATOM 1581 O LYS A 110 3.735 -2.980 -3.477 1.00 0.25 O ATOM 1582 CB LYS A 110 3.592 -3.658 -6.713 1.00 0.39 C ATOM 1583 CG LYS A 110 4.320 -4.477 -7.767 1.00 0.62 C ATOM 1584 CD LYS A 110 3.343 -5.175 -8.703 1.00 0.67 C ATOM 1585 CE LYS A 110 2.479 -4.178 -9.459 1.00 1.21 C ATOM 1586 NZ LYS A 110 1.556 -4.846 -10.411 1.00 1.53 N1+ ATOM 1587 H LYS A 110 5.362 -4.540 -4.690 1.00 0.28 H ATOM 1588 HA LYS A 110 4.955 -2.068 -6.243 1.00 0.32 H ATOM 1589 HB2 LYS A 110 2.957 -4.327 -6.146 1.00 0.79 H ATOM 1590 HB3 LYS A 110 2.969 -2.933 -7.220 1.00 0.77 H ATOM 1591 HG2 LYS A 110 4.957 -3.826 -8.345 1.00 1.02 H ATOM 1592 HG3 LYS A 110 4.923 -5.225 -7.271 1.00 1.02 H ATOM 1593 HD2 LYS A 110 3.902 -5.763 -9.416 1.00 1.23 H ATOM 1594 HD3 LYS A 110 2.703 -5.823 -8.120 1.00 1.09 H ATOM 1595 HE2 LYS A 110 1.895 -3.614 -8.749 1.00 1.82 H ATOM 1596 HE3 LYS A 110 3.124 -3.508 -10.007 1.00 1.89 H ATOM 1597 HZ1 LYS A 110 0.984 -4.135 -10.913 1.00 2.11 H ATOM 1598 HZ2 LYS A 110 0.918 -5.490 -9.905 1.00 1.90 H ATOM 1599 HZ3 LYS A 110 2.097 -5.391 -11.112 1.00 1.84 H ATOM 1600 N PHE A 111 2.918 -1.366 -4.811 1.00 0.20 N ATOM 1601 CA PHE A 111 1.956 -0.885 -3.837 1.00 0.19 C ATOM 1602 C PHE A 111 0.596 -0.796 -4.504 1.00 0.17 C ATOM 1603 O PHE A 111 0.502 -0.448 -5.684 1.00 0.21 O ATOM 1604 CB PHE A 111 2.364 0.476 -3.246 1.00 0.22 C ATOM 1605 CG PHE A 111 2.216 1.648 -4.182 1.00 0.20 C ATOM 1606 CD1 PHE A 111 3.233 1.993 -5.054 1.00 0.19 C ATOM 1607 CD2 PHE A 111 1.056 2.412 -4.176 1.00 0.22 C ATOM 1608 CE1 PHE A 111 3.099 3.073 -5.904 1.00 0.20 C ATOM 1609 CE2 PHE A 111 0.919 3.495 -5.022 1.00 0.23 C ATOM 1610 CZ PHE A 111 1.941 3.826 -5.887 1.00 0.21 C ATOM 1611 H PHE A 111 2.989 -0.913 -5.681 1.00 0.22 H ATOM 1612 HA PHE A 111 1.903 -1.616 -3.042 1.00 0.20 H ATOM 1613 HB2 PHE A 111 1.752 0.674 -2.380 1.00 0.26 H ATOM 1614 HB3 PHE A 111 3.398 0.427 -2.940 1.00 0.25 H ATOM 1615 HD1 PHE A 111 4.139 1.406 -5.070 1.00 0.19 H ATOM 1616 HD2 PHE A 111 0.255 2.152 -3.499 1.00 0.25 H ATOM 1617 HE1 PHE A 111 3.900 3.330 -6.581 1.00 0.21 H ATOM 1618 HE2 PHE A 111 0.011 4.081 -5.009 1.00 0.27 H ATOM 1619 HZ PHE A 111 1.835 4.672 -6.549 1.00 0.24 H ATOM 1620 N ALA A 112 -0.451 -1.127 -3.771 1.00 0.14 N ATOM 1621 CA ALA A 112 -1.782 -1.147 -4.346 1.00 0.15 C ATOM 1622 C ALA A 112 -2.857 -1.133 -3.277 1.00 0.15 C ATOM 1623 O ALA A 112 -2.579 -1.334 -2.093 1.00 0.17 O ATOM 1624 CB ALA A 112 -1.950 -2.376 -5.225 1.00 0.19 C ATOM 1625 H ALA A 112 -0.327 -1.364 -2.824 1.00 0.16 H ATOM 1626 HA ALA A 112 -1.891 -0.270 -4.969 1.00 0.16 H ATOM 1627 HB1 ALA A 112 -1.934 -3.261 -4.608 1.00 0.97 H ATOM 1628 HB2 ALA A 112 -1.141 -2.422 -5.940 1.00 0.94 H ATOM 1629 HB3 ALA A 112 -2.892 -2.319 -5.750 1.00 0.90 H ATOM 1630 N CYS A 113 -4.078 -0.888 -3.719 1.00 0.15 N ATOM 1631 CA CYS A 113 -5.252 -0.962 -2.869 1.00 0.14 C ATOM 1632 C CYS A 113 -5.936 -2.307 -3.121 1.00 0.14 C ATOM 1633 O CYS A 113 -6.332 -2.601 -4.250 1.00 0.16 O ATOM 1634 CB CYS A 113 -6.195 0.205 -3.200 1.00 0.14 C ATOM 1635 SG CYS A 113 -7.545 0.464 -2.026 1.00 0.13 S ATOM 1636 H CYS A 113 -4.194 -0.653 -4.664 1.00 0.16 H ATOM 1637 HA CYS A 113 -4.937 -0.904 -1.837 1.00 0.14 H ATOM 1638 HB2 CYS A 113 -5.621 1.119 -3.233 1.00 0.18 H ATOM 1639 HB3 CYS A 113 -6.637 0.031 -4.169 1.00 0.15 H ATOM 1640 N THR A 114 -6.049 -3.134 -2.087 1.00 0.15 N ATOM 1641 CA THR A 114 -6.545 -4.499 -2.261 1.00 0.17 C ATOM 1642 C THR A 114 -8.069 -4.571 -2.194 1.00 0.16 C ATOM 1643 O THR A 114 -8.651 -5.659 -2.226 1.00 0.21 O ATOM 1644 CB THR A 114 -5.941 -5.464 -1.218 1.00 0.21 C ATOM 1645 OG1 THR A 114 -6.188 -4.984 0.111 1.00 0.22 O ATOM 1646 CG2 THR A 114 -4.442 -5.625 -1.433 1.00 0.24 C ATOM 1647 H THR A 114 -5.801 -2.818 -1.186 1.00 0.17 H ATOM 1648 HA THR A 114 -6.232 -4.833 -3.241 1.00 0.21 H ATOM 1649 HB THR A 114 -6.410 -6.433 -1.337 1.00 0.24 H ATOM 1650 HG1 THR A 114 -6.235 -5.736 0.719 1.00 0.25 H ATOM 1651 HG21 THR A 114 -3.960 -4.665 -1.323 1.00 0.97 H ATOM 1652 HG22 THR A 114 -4.258 -6.008 -2.426 1.00 0.95 H ATOM 1653 HG23 THR A 114 -4.042 -6.313 -0.701 1.00 1.10 H ATOM 1654 N PHE A 115 -8.710 -3.412 -2.114 1.00 0.14 N ATOM 1655 CA PHE A 115 -10.164 -3.339 -2.112 1.00 0.17 C ATOM 1656 C PHE A 115 -10.692 -3.851 -3.456 1.00 0.22 C ATOM 1657 O PHE A 115 -10.254 -3.392 -4.507 1.00 0.23 O ATOM 1658 CB PHE A 115 -10.604 -1.889 -1.864 1.00 0.15 C ATOM 1659 CG PHE A 115 -12.061 -1.726 -1.520 1.00 0.17 C ATOM 1660 CD1 PHE A 115 -13.016 -1.597 -2.513 1.00 0.23 C ATOM 1661 CD2 PHE A 115 -12.467 -1.688 -0.197 1.00 0.17 C ATOM 1662 CE1 PHE A 115 -14.350 -1.436 -2.194 1.00 0.26 C ATOM 1663 CE2 PHE A 115 -13.800 -1.525 0.129 1.00 0.20 C ATOM 1664 CZ PHE A 115 -14.743 -1.400 -0.871 1.00 0.24 C ATOM 1665 H PHE A 115 -8.190 -2.582 -2.066 1.00 0.14 H ATOM 1666 HA PHE A 115 -10.533 -3.969 -1.317 1.00 0.19 H ATOM 1667 HB2 PHE A 115 -10.030 -1.484 -1.046 1.00 0.14 H ATOM 1668 HB3 PHE A 115 -10.407 -1.304 -2.753 1.00 0.14 H ATOM 1669 HD1 PHE A 115 -12.712 -1.625 -3.549 1.00 0.26 H ATOM 1670 HD2 PHE A 115 -11.730 -1.787 0.586 1.00 0.17 H ATOM 1671 HE1 PHE A 115 -15.086 -1.337 -2.978 1.00 0.32 H ATOM 1672 HE2 PHE A 115 -14.103 -1.497 1.164 1.00 0.22 H ATOM 1673 HZ PHE A 115 -15.785 -1.273 -0.619 1.00 0.27 H ATOM 1674 N PRO A 116 -11.607 -4.839 -3.442 1.00 0.30 N ATOM 1675 CA PRO A 116 -12.150 -5.439 -4.668 1.00 0.37 C ATOM 1676 C PRO A 116 -12.726 -4.399 -5.621 1.00 0.31 C ATOM 1677 O PRO A 116 -13.711 -3.727 -5.307 1.00 0.30 O ATOM 1678 CB PRO A 116 -13.258 -6.365 -4.160 1.00 0.46 C ATOM 1679 CG PRO A 116 -12.868 -6.684 -2.761 1.00 0.49 C ATOM 1680 CD PRO A 116 -12.179 -5.454 -2.234 1.00 0.37 C ATOM 1681 HA PRO A 116 -11.401 -6.019 -5.186 1.00 0.43 H ATOM 1682 HB2 PRO A 116 -14.208 -5.850 -4.199 1.00 0.46 H ATOM 1683 HB3 PRO A 116 -13.299 -7.257 -4.771 1.00 0.54 H ATOM 1684 HG2 PRO A 116 -13.749 -6.902 -2.175 1.00 0.55 H ATOM 1685 HG3 PRO A 116 -12.191 -7.526 -2.751 1.00 0.54 H ATOM 1686 HD2 PRO A 116 -12.894 -4.790 -1.765 1.00 0.37 H ATOM 1687 HD3 PRO A 116 -11.400 -5.729 -1.535 1.00 0.37 H ATOM 1688 N GLY A 117 -12.104 -4.273 -6.782 1.00 0.34 N ATOM 1689 CA GLY A 117 -12.534 -3.291 -7.753 1.00 0.33 C ATOM 1690 C GLY A 117 -11.619 -2.084 -7.776 1.00 0.33 C ATOM 1691 O GLY A 117 -11.792 -1.180 -8.593 1.00 0.50 O ATOM 1692 H GLY A 117 -11.335 -4.854 -6.979 1.00 0.39 H ATOM 1693 HA2 GLY A 117 -12.547 -3.745 -8.735 1.00 0.39 H ATOM 1694 HA3 GLY A 117 -13.535 -2.966 -7.504 1.00 0.32 H ATOM 1695 N HIS A 118 -10.647 -2.067 -6.876 1.00 0.24 N ATOM 1696 CA HIS A 118 -9.729 -0.941 -6.757 1.00 0.23 C ATOM 1697 C HIS A 118 -8.332 -1.285 -7.269 1.00 0.29 C ATOM 1698 O HIS A 118 -7.623 -0.418 -7.785 1.00 0.38 O ATOM 1699 CB HIS A 118 -9.645 -0.471 -5.300 1.00 0.20 C ATOM 1700 CG HIS A 118 -10.827 0.336 -4.849 1.00 0.16 C ATOM 1701 ND1 HIS A 118 -10.697 1.326 -3.902 1.00 0.18 N ATOM 1702 CD2 HIS A 118 -12.124 0.263 -5.236 1.00 0.19 C ATOM 1703 CE1 HIS A 118 -11.909 1.825 -3.733 1.00 0.20 C ATOM 1704 NE2 HIS A 118 -12.807 1.212 -4.523 1.00 0.18 N ATOM 1705 H HIS A 118 -10.554 -2.827 -6.255 1.00 0.30 H ATOM 1706 HA HIS A 118 -10.127 -0.135 -7.356 1.00 0.25 H ATOM 1707 HB2 HIS A 118 -9.570 -1.333 -4.655 1.00 0.23 H ATOM 1708 HB3 HIS A 118 -8.762 0.139 -5.179 1.00 0.21 H ATOM 1709 HD2 HIS A 118 -12.541 -0.405 -5.975 1.00 0.25 H ATOM 1710 HE1 HIS A 118 -12.148 2.622 -3.045 1.00 0.27 H ATOM 1711 HE2 HIS A 118 -13.717 1.530 -4.716 1.00 0.30 H ATOM 1712 N GLY A 119 -7.950 -2.552 -7.155 1.00 0.33 N ATOM 1713 CA GLY A 119 -6.595 -2.964 -7.486 1.00 0.42 C ATOM 1714 C GLY A 119 -6.256 -2.851 -8.962 1.00 0.49 C ATOM 1715 O GLY A 119 -5.079 -2.859 -9.331 1.00 0.61 O ATOM 1716 H GLY A 119 -8.592 -3.218 -6.832 1.00 0.39 H ATOM 1717 HA2 GLY A 119 -5.904 -2.349 -6.929 1.00 0.45 H ATOM 1718 HA3 GLY A 119 -6.464 -3.995 -7.180 1.00 0.48 H ATOM 1719 N ALA A 120 -7.272 -2.734 -9.811 1.00 0.53 N ATOM 1720 CA ALA A 120 -7.055 -2.668 -11.250 1.00 0.67 C ATOM 1721 C ALA A 120 -6.487 -1.316 -11.665 1.00 0.64 C ATOM 1722 O ALA A 120 -5.695 -1.228 -12.603 1.00 0.75 O ATOM 1723 CB ALA A 120 -8.346 -2.952 -11.998 1.00 0.83 C ATOM 1724 H ALA A 120 -8.186 -2.687 -9.461 1.00 0.54 H ATOM 1725 HA ALA A 120 -6.342 -3.435 -11.510 1.00 0.76 H ATOM 1726 HB1 ALA A 120 -9.081 -2.205 -11.743 1.00 1.58 H ATOM 1727 HB2 ALA A 120 -8.714 -3.929 -11.723 1.00 1.06 H ATOM 1728 HB3 ALA A 120 -8.158 -2.925 -13.061 1.00 1.27 H ATOM 1729 N LEU A 121 -6.887 -0.266 -10.966 1.00 0.56 N ATOM 1730 CA LEU A 121 -6.395 1.072 -11.265 1.00 0.64 C ATOM 1731 C LEU A 121 -5.423 1.544 -10.189 1.00 0.51 C ATOM 1732 O LEU A 121 -4.376 2.123 -10.489 1.00 0.69 O ATOM 1733 CB LEU A 121 -7.566 2.054 -11.386 1.00 0.82 C ATOM 1734 CG LEU A 121 -7.173 3.504 -11.683 1.00 1.38 C ATOM 1735 CD1 LEU A 121 -6.467 3.610 -13.026 1.00 2.13 C ATOM 1736 CD2 LEU A 121 -8.399 4.402 -11.651 1.00 1.76 C ATOM 1737 H LEU A 121 -7.535 -0.392 -10.238 1.00 0.53 H ATOM 1738 HA LEU A 121 -5.873 1.027 -12.209 1.00 0.76 H ATOM 1739 HB2 LEU A 121 -8.217 1.710 -12.179 1.00 1.30 H ATOM 1740 HB3 LEU A 121 -8.118 2.039 -10.457 1.00 1.22 H ATOM 1741 HG LEU A 121 -6.489 3.847 -10.919 1.00 2.05 H ATOM 1742 HD11 LEU A 121 -6.259 4.647 -13.240 1.00 2.59 H ATOM 1743 HD12 LEU A 121 -7.100 3.201 -13.797 1.00 2.48 H ATOM 1744 HD13 LEU A 121 -5.540 3.058 -12.989 1.00 2.62 H ATOM 1745 HD21 LEU A 121 -8.846 4.366 -10.667 1.00 2.22 H ATOM 1746 HD22 LEU A 121 -9.114 4.061 -12.384 1.00 2.39 H ATOM 1747 HD23 LEU A 121 -8.107 5.416 -11.877 1.00 1.93 H ATOM 1748 N MET A 122 -5.763 1.274 -8.938 1.00 0.34 N ATOM 1749 CA MET A 122 -4.951 1.700 -7.807 1.00 0.22 C ATOM 1750 C MET A 122 -3.796 0.740 -7.569 1.00 0.17 C ATOM 1751 O MET A 122 -3.819 -0.063 -6.635 1.00 0.21 O ATOM 1752 CB MET A 122 -5.817 1.814 -6.551 1.00 0.27 C ATOM 1753 CG MET A 122 -6.443 3.183 -6.362 1.00 0.65 C ATOM 1754 SD MET A 122 -7.972 3.124 -5.413 1.00 0.24 S ATOM 1755 CE MET A 122 -9.082 2.479 -6.654 1.00 0.54 C ATOM 1756 H MET A 122 -6.584 0.759 -8.765 1.00 0.45 H ATOM 1757 HA MET A 122 -4.545 2.674 -8.043 1.00 0.27 H ATOM 1758 HB2 MET A 122 -6.612 1.085 -6.611 1.00 0.60 H ATOM 1759 HB3 MET A 122 -5.207 1.596 -5.687 1.00 0.65 H ATOM 1760 HG2 MET A 122 -5.740 3.818 -5.843 1.00 1.15 H ATOM 1761 HG3 MET A 122 -6.656 3.603 -7.334 1.00 1.15 H ATOM 1762 HE1 MET A 122 -10.086 2.441 -6.257 1.00 1.27 H ATOM 1763 HE2 MET A 122 -8.770 1.484 -6.936 1.00 1.17 H ATOM 1764 HE3 MET A 122 -9.061 3.120 -7.521 1.00 1.16 H ATOM 1765 N ASN A 123 -2.792 0.825 -8.428 1.00 0.20 N ATOM 1766 CA ASN A 123 -1.594 0.011 -8.298 1.00 0.25 C ATOM 1767 C ASN A 123 -0.395 0.741 -8.886 1.00 0.22 C ATOM 1768 O ASN A 123 -0.517 1.449 -9.890 1.00 0.34 O ATOM 1769 CB ASN A 123 -1.762 -1.349 -8.993 1.00 0.44 C ATOM 1770 CG ASN A 123 -2.021 -1.228 -10.484 1.00 0.54 C ATOM 1771 OD1 ASN A 123 -1.092 -1.153 -11.288 1.00 1.13 O ATOM 1772 ND2 ASN A 123 -3.285 -1.235 -10.866 1.00 0.58 N ATOM 1773 H ASN A 123 -2.860 1.458 -9.174 1.00 0.24 H ATOM 1774 HA ASN A 123 -1.420 -0.149 -7.243 1.00 0.29 H ATOM 1775 HB2 ASN A 123 -0.860 -1.930 -8.855 1.00 0.96 H ATOM 1776 HB3 ASN A 123 -2.594 -1.874 -8.543 1.00 0.72 H ATOM 1777 HD21 ASN A 123 -3.981 -1.321 -10.175 1.00 0.71 H ATOM 1778 HD22 ASN A 123 -3.480 -1.156 -11.824 1.00 0.90 H ATOM 1779 N GLY A 124 0.751 0.573 -8.252 1.00 0.19 N ATOM 1780 CA GLY A 124 1.969 1.188 -8.733 1.00 0.21 C ATOM 1781 C GLY A 124 3.197 0.437 -8.265 1.00 0.23 C ATOM 1782 O GLY A 124 3.079 -0.601 -7.612 1.00 0.31 O ATOM 1783 H GLY A 124 0.773 0.022 -7.435 1.00 0.25 H ATOM 1784 HA2 GLY A 124 1.953 1.197 -9.815 1.00 0.27 H ATOM 1785 HA3 GLY A 124 2.019 2.205 -8.371 1.00 0.24 H ATOM 1786 N LYS A 125 4.373 0.956 -8.578 1.00 0.24 N ATOM 1787 CA LYS A 125 5.616 0.273 -8.252 1.00 0.28 C ATOM 1788 C LYS A 125 6.337 0.932 -7.086 1.00 0.25 C ATOM 1789 O LYS A 125 6.370 2.158 -6.966 1.00 0.26 O ATOM 1790 CB LYS A 125 6.539 0.230 -9.472 1.00 0.40 C ATOM 1791 CG LYS A 125 6.043 -0.687 -10.581 1.00 1.21 C ATOM 1792 CD LYS A 125 6.045 -2.145 -10.146 1.00 1.31 C ATOM 1793 CE LYS A 125 7.458 -2.702 -10.025 1.00 1.41 C ATOM 1794 NZ LYS A 125 8.091 -2.910 -11.357 1.00 1.48 N1+ ATOM 1795 H LYS A 125 4.410 1.825 -9.034 1.00 0.28 H ATOM 1796 HA LYS A 125 5.366 -0.736 -7.973 1.00 0.30 H ATOM 1797 HB2 LYS A 125 6.628 1.228 -9.875 1.00 0.96 H ATOM 1798 HB3 LYS A 125 7.514 -0.111 -9.160 1.00 0.95 H ATOM 1799 HG2 LYS A 125 5.036 -0.402 -10.848 1.00 1.88 H ATOM 1800 HG3 LYS A 125 6.689 -0.577 -11.439 1.00 1.80 H ATOM 1801 HD2 LYS A 125 5.558 -2.221 -9.186 1.00 1.50 H ATOM 1802 HD3 LYS A 125 5.499 -2.728 -10.873 1.00 1.88 H ATOM 1803 HE2 LYS A 125 8.058 -2.008 -9.457 1.00 2.05 H ATOM 1804 HE3 LYS A 125 7.416 -3.647 -9.505 1.00 1.76 H ATOM 1805 HZ1 LYS A 125 8.038 -2.042 -11.924 1.00 1.75 H ATOM 1806 HZ2 LYS A 125 7.605 -3.674 -11.868 1.00 1.94 H ATOM 1807 HZ3 LYS A 125 9.091 -3.174 -11.240 1.00 1.89 H ATOM 1808 N VAL A 126 6.909 0.100 -6.229 1.00 0.25 N ATOM 1809 CA VAL A 126 7.745 0.562 -5.139 1.00 0.25 C ATOM 1810 C VAL A 126 9.190 0.219 -5.455 1.00 0.30 C ATOM 1811 O VAL A 126 9.567 -0.952 -5.497 1.00 0.45 O ATOM 1812 CB VAL A 126 7.348 -0.078 -3.792 1.00 0.42 C ATOM 1813 CG1 VAL A 126 8.270 0.395 -2.681 1.00 1.10 C ATOM 1814 CG2 VAL A 126 5.905 0.240 -3.449 1.00 1.11 C ATOM 1815 H VAL A 126 6.779 -0.870 -6.344 1.00 0.28 H ATOM 1816 HA VAL A 126 7.640 1.635 -5.063 1.00 0.29 H ATOM 1817 HB VAL A 126 7.447 -1.151 -3.883 1.00 1.25 H ATOM 1818 HG11 VAL A 126 8.174 1.465 -2.566 1.00 1.77 H ATOM 1819 HG12 VAL A 126 9.291 0.150 -2.932 1.00 1.60 H ATOM 1820 HG13 VAL A 126 7.999 -0.090 -1.755 1.00 1.63 H ATOM 1821 HG21 VAL A 126 5.781 1.310 -3.374 1.00 1.32 H ATOM 1822 HG22 VAL A 126 5.649 -0.219 -2.506 1.00 1.58 H ATOM 1823 HG23 VAL A 126 5.258 -0.143 -4.223 1.00 1.75 H ATOM 1824 N THR A 127 9.988 1.237 -5.700 1.00 0.35 N ATOM 1825 CA THR A 127 11.352 1.039 -6.140 1.00 0.54 C ATOM 1826 C THR A 127 12.324 1.177 -4.977 1.00 0.45 C ATOM 1827 O THR A 127 12.329 2.188 -4.278 1.00 0.37 O ATOM 1828 CB THR A 127 11.718 2.049 -7.238 1.00 0.76 C ATOM 1829 OG1 THR A 127 10.697 2.050 -8.246 1.00 0.86 O ATOM 1830 CG2 THR A 127 13.059 1.707 -7.869 1.00 0.97 C ATOM 1831 H THR A 127 9.654 2.153 -5.556 1.00 0.35 H ATOM 1832 HA THR A 127 11.432 0.044 -6.551 1.00 0.68 H ATOM 1833 HB THR A 127 11.782 3.031 -6.796 1.00 0.75 H ATOM 1834 HG1 THR A 127 9.846 1.866 -7.835 1.00 1.16 H ATOM 1835 HG21 THR A 127 13.304 2.445 -8.617 1.00 1.18 H ATOM 1836 HG22 THR A 127 13.000 0.732 -8.330 1.00 1.35 H ATOM 1837 HG23 THR A 127 13.823 1.698 -7.106 1.00 1.68 H ATOM 1838 N LEU A 128 13.131 0.152 -4.771 1.00 0.52 N ATOM 1839 CA LEU A 128 14.128 0.165 -3.716 1.00 0.49 C ATOM 1840 C LEU A 128 15.391 0.851 -4.228 1.00 0.50 C ATOM 1841 O LEU A 128 16.111 0.305 -5.064 1.00 0.59 O ATOM 1842 CB LEU A 128 14.416 -1.275 -3.266 1.00 0.59 C ATOM 1843 CG LEU A 128 14.978 -1.450 -1.849 1.00 0.73 C ATOM 1844 CD1 LEU A 128 16.453 -1.108 -1.785 1.00 0.78 C ATOM 1845 CD2 LEU A 128 14.205 -0.598 -0.857 1.00 1.44 C ATOM 1846 H LEU A 128 13.057 -0.639 -5.347 1.00 0.63 H ATOM 1847 HA LEU A 128 13.731 0.730 -2.886 1.00 0.42 H ATOM 1848 HB2 LEU A 128 13.495 -1.836 -3.331 1.00 0.98 H ATOM 1849 HB3 LEU A 128 15.124 -1.705 -3.962 1.00 0.67 H ATOM 1850 HG LEU A 128 14.867 -2.483 -1.553 1.00 1.27 H ATOM 1851 HD11 LEU A 128 16.813 -1.287 -0.783 1.00 1.22 H ATOM 1852 HD12 LEU A 128 16.591 -0.068 -2.039 1.00 1.09 H ATOM 1853 HD13 LEU A 128 16.998 -1.728 -2.481 1.00 1.52 H ATOM 1854 HD21 LEU A 128 14.518 -0.845 0.147 1.00 1.91 H ATOM 1855 HD22 LEU A 128 13.148 -0.790 -0.963 1.00 1.83 H ATOM 1856 HD23 LEU A 128 14.405 0.446 -1.046 1.00 2.01 H ATOM 1857 N VAL A 129 15.643 2.054 -3.739 1.00 0.46 N ATOM 1858 CA VAL A 129 16.762 2.850 -4.214 1.00 0.51 C ATOM 1859 C VAL A 129 17.856 2.926 -3.158 1.00 0.50 C ATOM 1860 O VAL A 129 17.673 2.460 -2.032 1.00 0.50 O ATOM 1861 CB VAL A 129 16.329 4.283 -4.615 1.00 0.54 C ATOM 1862 CG1 VAL A 129 15.246 4.243 -5.684 1.00 0.60 C ATOM 1863 CG2 VAL A 129 15.849 5.073 -3.406 1.00 0.50 C ATOM 1864 H VAL A 129 15.076 2.407 -3.015 1.00 0.42 H ATOM 1865 HA VAL A 129 17.163 2.362 -5.091 1.00 0.57 H ATOM 1866 HB VAL A 129 17.189 4.790 -5.029 1.00 0.60 H ATOM 1867 HG11 VAL A 129 14.968 5.251 -5.952 1.00 1.18 H ATOM 1868 HG12 VAL A 129 14.381 3.721 -5.300 1.00 1.11 H ATOM 1869 HG13 VAL A 129 15.619 3.728 -6.556 1.00 1.19 H ATOM 1870 HG21 VAL A 129 15.539 6.059 -3.720 1.00 1.04 H ATOM 1871 HG22 VAL A 129 16.654 5.159 -2.691 1.00 1.15 H ATOM 1872 HG23 VAL A 129 15.014 4.561 -2.949 1.00 1.15 H ATOM 1873 N ASP A 130 18.988 3.507 -3.525 1.00 0.55 N ATOM 1874 CA ASP A 130 20.115 3.647 -2.605 1.00 0.62 C ATOM 1875 C ASP A 130 19.815 4.676 -1.520 1.00 1.17 C ATOM 1876 O ASP A 130 19.195 4.361 -0.497 1.00 2.01 O ATOM 1877 CB ASP A 130 21.389 4.045 -3.361 1.00 0.98 C ATOM 1878 CG ASP A 130 21.974 2.906 -4.174 1.00 1.49 C ATOM 1879 OD1 ASP A 130 21.442 2.616 -5.267 1.00 1.87 O1- ATOM 1880 OD2 ASP A 130 22.961 2.282 -3.719 1.00 2.25 O ATOM 1881 H ASP A 130 19.070 3.848 -4.440 1.00 0.60 H ATOM 1882 HA ASP A 130 20.274 2.688 -2.137 1.00 0.60 H ATOM 1883 HB2 ASP A 130 21.161 4.859 -4.033 1.00 1.72 H ATOM 1884 HB3 ASP A 130 22.133 4.372 -2.648 1.00 1.39 H