USER MOD reduce.3.24.130724 H: found=0, std=0, add=493, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 496 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 16 CYS SG : rot 171:sc= 0.298! USER MOD Set 1.2: A 39 MET CE :methyl 164:sc= 0 (180deg=-0.582) USER MOD Set 1.3: A 78 CYS SG : rot 164:sc= -1.14! USER MOD Set 2.1: A 48 THR OG1 : rot -57:sc= 1.35 USER MOD Set 2.2: A 52 THR OG1 : rot -61:sc= 3.12 USER MOD Single : A 13 LYS NZ :NH3+ 162:sc= -0.161 (180deg=-0.25) USER MOD Single : A 17 MET CE :methyl 144:sc= -0.749 (180deg=-3.84!) USER MOD Single : A 18 LYS NZ :NH3+ -167:sc= 1.12 (180deg=0.43) USER MOD Single : A 29 ASN : amide:sc= -0.326 X(o=-0.33,f=-0.083) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot -47:sc= 0.294 USER MOD Single : A 37 MET CE :methyl 171:sc= -0.738 (180deg=-1) USER MOD Single : A 41 THR OG1 : rot 75:sc= 0.149 USER MOD Single : A 42 LYS NZ :NH3+ -155:sc= 1.12 (180deg=0.671) USER MOD Single : A 45 GLN : amide:sc= 1.23 K(o=1.2,f=-1.7) USER MOD Single : A 46 THR OG1 : rot 39:sc= 0.00991 USER MOD Single : A 47 TYR OH : rot -139:sc= 1.15 USER MOD Single : A 49 LYS NZ :NH3+ -170:sc= 1.28 (180deg=1.05) USER MOD Single : A 56 MET CE :methyl -151:sc= -1.57 (180deg=-2.63) USER MOD Single : A 57 LYS NZ :NH3+ -122:sc= 1.27 (180deg=-0.634) USER MOD Single : A 67 LYS NZ :NH3+ 179:sc= 1.09 (180deg=1.09) USER MOD Single : A 68 ASN : amide:sc= -0.117 K(o=-0.12,f=-3.7!) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot -96:sc= 0.182 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 158 N GLU A 12 25.249 -30.454 -23.552 1.00 0.00 N ATOM 159 CA GLU A 12 26.585 -29.898 -23.243 1.00 0.00 C ATOM 160 C GLU A 12 27.020 -28.867 -24.323 1.00 0.00 C ATOM 161 O GLU A 12 27.746 -27.900 -24.063 1.00 0.00 O ATOM 162 CB GLU A 12 27.657 -30.985 -23.067 1.00 0.00 C ATOM 163 CG GLU A 12 28.954 -30.407 -22.479 1.00 0.00 C ATOM 164 CD GLU A 12 30.036 -31.467 -22.319 1.00 0.00 C ATOM 165 OE1 GLU A 12 29.758 -32.532 -21.725 1.00 0.00 O ATOM 166 OE2 GLU A 12 31.178 -31.228 -22.769 1.00 0.00 O ATOM 0 HA GLU A 12 26.495 -29.387 -22.284 1.00 0.00 H new ATOM 0 HB2 GLU A 12 27.277 -31.769 -22.412 1.00 0.00 H new ATOM 0 HB3 GLU A 12 27.868 -31.449 -24.031 1.00 0.00 H new ATOM 0 HG2 GLU A 12 29.321 -29.611 -23.126 1.00 0.00 H new ATOM 0 HG3 GLU A 12 28.742 -29.957 -21.509 1.00 0.00 H new ATOM 173 N LYS A 13 26.546 -29.076 -25.553 1.00 0.00 N ATOM 174 CA LYS A 13 26.738 -28.050 -26.572 1.00 0.00 C ATOM 175 C LYS A 13 26.022 -26.730 -26.257 1.00 0.00 C ATOM 176 O LYS A 13 26.557 -25.651 -26.517 1.00 0.00 O ATOM 177 CB LYS A 13 26.447 -28.548 -27.996 1.00 0.00 C ATOM 178 CG LYS A 13 24.948 -28.598 -28.325 1.00 0.00 C ATOM 179 CD LYS A 13 24.500 -27.298 -29.006 1.00 0.00 C ATOM 180 CE LYS A 13 22.974 -27.223 -29.123 1.00 0.00 C ATOM 181 NZ LYS A 13 22.416 -26.552 -27.935 1.00 0.00 N ATOM 0 H LYS A 13 26.046 -29.912 -25.857 1.00 0.00 H new ATOM 0 HA LYS A 13 27.804 -27.824 -26.541 1.00 0.00 H new ATOM 0 HB2 LYS A 13 26.948 -27.896 -28.711 1.00 0.00 H new ATOM 0 HB3 LYS A 13 26.873 -29.544 -28.120 1.00 0.00 H new ATOM 0 HG2 LYS A 13 24.742 -29.446 -28.978 1.00 0.00 H new ATOM 0 HG3 LYS A 13 24.375 -28.752 -27.411 1.00 0.00 H new ATOM 0 HD2 LYS A 13 24.865 -26.443 -28.437 1.00 0.00 H new ATOM 0 HD3 LYS A 13 24.946 -27.234 -29.999 1.00 0.00 H new ATOM 0 HE2 LYS A 13 22.695 -26.678 -30.025 1.00 0.00 H new ATOM 0 HE3 LYS A 13 22.557 -28.226 -29.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 21.449 -26.230 -28.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 22.397 -27.218 -27.137 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 23.008 -25.733 -27.688 1.00 0.00 H new ATOM 195 N ASP A 14 24.790 -26.794 -25.738 1.00 0.00 N ATOM 196 CA ASP A 14 24.188 -25.561 -25.207 1.00 0.00 C ATOM 197 C ASP A 14 25.098 -24.899 -24.176 1.00 0.00 C ATOM 198 O ASP A 14 25.254 -23.685 -24.162 1.00 0.00 O ATOM 199 CB ASP A 14 22.781 -25.734 -24.613 1.00 0.00 C ATOM 200 CG ASP A 14 22.133 -24.397 -24.276 1.00 0.00 C ATOM 201 OD1 ASP A 14 21.995 -23.548 -25.183 1.00 0.00 O ATOM 202 OD2 ASP A 14 21.752 -24.189 -23.104 1.00 0.00 O ATOM 0 H ASP A 14 24.216 -27.634 -25.674 1.00 0.00 H new ATOM 0 HA ASP A 14 24.076 -24.918 -26.080 1.00 0.00 H new ATOM 0 HB2 ASP A 14 22.152 -26.273 -25.322 1.00 0.00 H new ATOM 0 HB3 ASP A 14 22.841 -26.345 -23.712 1.00 0.00 H new ATOM 207 N GLU A 15 25.736 -25.705 -23.333 1.00 0.00 N ATOM 208 CA GLU A 15 26.674 -25.134 -22.357 1.00 0.00 C ATOM 209 C GLU A 15 27.768 -24.270 -22.990 1.00 0.00 C ATOM 210 O GLU A 15 27.923 -23.088 -22.666 1.00 0.00 O ATOM 211 CB GLU A 15 27.320 -26.204 -21.459 1.00 0.00 C ATOM 212 CG GLU A 15 26.448 -26.524 -20.237 1.00 0.00 C ATOM 213 CD GLU A 15 26.577 -25.463 -19.154 1.00 0.00 C ATOM 214 OE1 GLU A 15 27.682 -25.306 -18.591 1.00 0.00 O ATOM 215 OE2 GLU A 15 25.570 -24.786 -18.856 1.00 0.00 O ATOM 0 H GLU A 15 25.632 -26.719 -23.299 1.00 0.00 H new ATOM 0 HA GLU A 15 26.054 -24.484 -21.739 1.00 0.00 H new ATOM 0 HB2 GLU A 15 27.483 -27.113 -22.037 1.00 0.00 H new ATOM 0 HB3 GLU A 15 28.299 -25.857 -21.127 1.00 0.00 H new ATOM 0 HG2 GLU A 15 25.406 -26.603 -20.546 1.00 0.00 H new ATOM 0 HG3 GLU A 15 26.734 -27.494 -19.831 1.00 0.00 H new ATOM 222 N CYS A 16 28.514 -24.844 -23.928 1.00 0.00 N ATOM 223 CA CYS A 16 29.636 -24.037 -24.499 1.00 0.00 C ATOM 224 C CYS A 16 29.079 -22.901 -25.404 1.00 0.00 C ATOM 225 O CYS A 16 29.691 -21.834 -25.494 1.00 0.00 O ATOM 226 CB CYS A 16 30.582 -24.922 -25.352 1.00 0.00 C ATOM 227 SG CYS A 16 31.998 -23.889 -25.849 1.00 0.00 S ATOM 0 H CYS A 16 28.396 -25.787 -24.299 1.00 0.00 H new ATOM 0 HA CYS A 16 30.192 -23.613 -23.663 1.00 0.00 H new ATOM 0 HB2 CYS A 16 30.920 -25.785 -24.779 1.00 0.00 H new ATOM 0 HB3 CYS A 16 30.061 -25.306 -26.229 1.00 0.00 H new ATOM 0 HG CYS A 16 32.911 -24.637 -26.395 1.00 0.00 H new ATOM 233 N MET A 17 27.924 -23.069 -26.063 1.00 0.00 N ATOM 234 CA MET A 17 27.360 -21.903 -26.776 1.00 0.00 C ATOM 235 C MET A 17 26.688 -20.874 -25.828 1.00 0.00 C ATOM 236 O MET A 17 26.503 -19.709 -26.178 1.00 0.00 O ATOM 237 CB MET A 17 26.505 -22.227 -28.012 1.00 0.00 C ATOM 238 CG MET A 17 27.042 -21.454 -29.231 1.00 0.00 C ATOM 239 SD MET A 17 28.825 -21.762 -29.364 1.00 0.00 S ATOM 240 CE MET A 17 29.268 -20.694 -30.741 1.00 0.00 C ATOM 0 H MET A 17 27.389 -23.935 -26.121 1.00 0.00 H new ATOM 0 HA MET A 17 28.240 -21.416 -27.195 1.00 0.00 H new ATOM 0 HB2 MET A 17 26.526 -23.299 -28.210 1.00 0.00 H new ATOM 0 HB3 MET A 17 25.465 -21.958 -27.828 1.00 0.00 H new ATOM 0 HG2 MET A 17 26.533 -21.777 -30.139 1.00 0.00 H new ATOM 0 HG3 MET A 17 26.849 -20.387 -29.119 1.00 0.00 H new ATOM 0 HE1 MET A 17 30.257 -20.269 -30.568 1.00 0.00 H new ATOM 0 HE2 MET A 17 29.279 -21.275 -31.663 1.00 0.00 H new ATOM 0 HE3 MET A 17 28.537 -19.890 -30.828 1.00 0.00 H new ATOM 250 N LYS A 18 26.369 -21.293 -24.602 1.00 0.00 N ATOM 251 CA LYS A 18 25.836 -20.346 -23.622 1.00 0.00 C ATOM 252 C LYS A 18 26.918 -19.439 -23.043 1.00 0.00 C ATOM 253 O LYS A 18 26.687 -18.261 -22.780 1.00 0.00 O ATOM 254 CB LYS A 18 25.088 -21.086 -22.506 1.00 0.00 C ATOM 255 CG LYS A 18 23.836 -20.348 -22.025 1.00 0.00 C ATOM 256 CD LYS A 18 22.892 -21.345 -21.341 1.00 0.00 C ATOM 257 CE LYS A 18 21.427 -21.070 -21.687 1.00 0.00 C ATOM 258 NZ LYS A 18 21.116 -21.611 -23.024 1.00 0.00 N ATOM 0 H LYS A 18 26.466 -22.253 -24.271 1.00 0.00 H new ATOM 0 HA LYS A 18 25.131 -19.702 -24.148 1.00 0.00 H new ATOM 0 HB2 LYS A 18 24.803 -22.076 -22.863 1.00 0.00 H new ATOM 0 HB3 LYS A 18 25.762 -21.233 -21.662 1.00 0.00 H new ATOM 0 HG2 LYS A 18 24.112 -19.555 -21.330 1.00 0.00 H new ATOM 0 HG3 LYS A 18 23.334 -19.873 -22.868 1.00 0.00 H new ATOM 0 HD2 LYS A 18 23.153 -22.359 -21.644 1.00 0.00 H new ATOM 0 HD3 LYS A 18 23.027 -21.291 -20.261 1.00 0.00 H new ATOM 0 HE2 LYS A 18 20.776 -21.526 -20.941 1.00 0.00 H new ATOM 0 HE3 LYS A 18 21.234 -19.997 -21.665 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 20.201 -21.236 -23.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 21.860 -21.330 -23.694 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 21.068 -22.649 -22.976 1.00 0.00 H new ATOM 272 N ILE A 19 28.105 -19.993 -22.800 1.00 0.00 N ATOM 273 CA ILE A 19 29.263 -19.113 -22.551 1.00 0.00 C ATOM 274 C ILE A 19 29.568 -18.244 -23.771 1.00 0.00 C ATOM 275 O ILE A 19 29.891 -17.064 -23.660 1.00 0.00 O ATOM 276 CB ILE A 19 30.510 -19.856 -22.076 1.00 0.00 C ATOM 277 CG1 ILE A 19 31.727 -18.946 -21.929 1.00 0.00 C ATOM 278 CG2 ILE A 19 30.858 -21.013 -23.011 1.00 0.00 C ATOM 279 CD1 ILE A 19 32.274 -18.990 -20.505 1.00 0.00 C ATOM 0 H ILE A 19 28.295 -20.995 -22.769 1.00 0.00 H new ATOM 0 HA ILE A 19 28.972 -18.465 -21.725 1.00 0.00 H new ATOM 0 HB ILE A 19 30.261 -20.244 -21.088 1.00 0.00 H new ATOM 0 HG12 ILE A 19 32.503 -19.254 -22.630 1.00 0.00 H new ATOM 0 HG13 ILE A 19 31.453 -17.923 -22.186 1.00 0.00 H new ATOM 0 HG21 ILE A 19 31.750 -21.521 -22.645 1.00 0.00 H new ATOM 0 HG22 ILE A 19 30.027 -21.717 -23.043 1.00 0.00 H new ATOM 0 HG23 ILE A 19 31.046 -20.627 -24.013 1.00 0.00 H new ATOM 0 HD11 ILE A 19 33.140 -18.333 -20.428 1.00 0.00 H new ATOM 0 HD12 ILE A 19 31.504 -18.658 -19.809 1.00 0.00 H new ATOM 0 HD13 ILE A 19 32.569 -20.010 -20.260 1.00 0.00 H new ATOM 291 N PHE A 20 29.460 -18.829 -24.954 1.00 0.00 N ATOM 292 CA PHE A 20 29.566 -18.006 -26.164 1.00 0.00 C ATOM 293 C PHE A 20 28.525 -16.865 -26.200 1.00 0.00 C ATOM 294 O PHE A 20 28.697 -15.856 -26.879 1.00 0.00 O ATOM 295 CB PHE A 20 29.481 -18.844 -27.450 1.00 0.00 C ATOM 296 CG PHE A 20 30.262 -18.206 -28.586 1.00 0.00 C ATOM 297 CD1 PHE A 20 31.598 -18.007 -28.469 1.00 0.00 C ATOM 298 CD2 PHE A 20 29.583 -17.569 -29.566 1.00 0.00 C ATOM 299 CE1 PHE A 20 32.173 -16.947 -29.084 1.00 0.00 C ATOM 300 CE2 PHE A 20 30.146 -16.498 -30.180 1.00 0.00 C ATOM 301 CZ PHE A 20 31.432 -16.157 -29.897 1.00 0.00 C ATOM 0 H PHE A 20 29.306 -19.825 -25.108 1.00 0.00 H new ATOM 0 HA PHE A 20 30.556 -17.552 -26.121 1.00 0.00 H new ATOM 0 HB2 PHE A 20 29.868 -19.845 -27.259 1.00 0.00 H new ATOM 0 HB3 PHE A 20 28.437 -18.956 -27.743 1.00 0.00 H new ATOM 0 HD1 PHE A 20 32.200 -18.690 -27.888 1.00 0.00 H new ATOM 0 HD2 PHE A 20 28.601 -17.910 -29.858 1.00 0.00 H new ATOM 0 HE1 PHE A 20 33.220 -16.732 -28.927 1.00 0.00 H new ATOM 0 HE2 PHE A 20 29.575 -15.919 -30.891 1.00 0.00 H new ATOM 0 HZ PHE A 20 31.860 -15.260 -30.319 1.00 0.00 H new ATOM 311 N ASP A 21 27.436 -17.035 -25.457 1.00 0.00 N ATOM 312 CA ASP A 21 26.455 -15.946 -25.347 1.00 0.00 C ATOM 313 C ASP A 21 26.734 -14.993 -24.180 1.00 0.00 C ATOM 314 O ASP A 21 26.640 -13.775 -24.313 1.00 0.00 O ATOM 315 CB ASP A 21 25.019 -16.483 -25.265 1.00 0.00 C ATOM 316 CG ASP A 21 23.988 -15.439 -25.685 1.00 0.00 C ATOM 317 OD1 ASP A 21 23.574 -14.623 -24.833 1.00 0.00 O ATOM 318 OD2 ASP A 21 23.581 -15.436 -26.865 1.00 0.00 O ATOM 0 H ASP A 21 27.209 -17.882 -24.937 1.00 0.00 H new ATOM 0 HA ASP A 21 26.561 -15.366 -26.263 1.00 0.00 H new ATOM 0 HB2 ASP A 21 24.925 -17.362 -25.903 1.00 0.00 H new ATOM 0 HB3 ASP A 21 24.811 -16.806 -24.245 1.00 0.00 H new ATOM 323 N ILE A 22 27.076 -15.544 -23.025 1.00 0.00 N ATOM 324 CA ILE A 22 27.397 -14.650 -21.893 1.00 0.00 C ATOM 325 C ILE A 22 28.735 -13.930 -22.115 1.00 0.00 C ATOM 326 O ILE A 22 28.834 -12.707 -22.035 1.00 0.00 O ATOM 327 CB ILE A 22 27.392 -15.280 -20.475 1.00 0.00 C ATOM 328 CG1 ILE A 22 26.061 -15.965 -20.126 1.00 0.00 C ATOM 329 CG2 ILE A 22 27.652 -14.183 -19.438 1.00 0.00 C ATOM 330 CD1 ILE A 22 26.321 -17.189 -19.247 1.00 0.00 C ATOM 0 H ILE A 22 27.140 -16.545 -22.838 1.00 0.00 H new ATOM 0 HA ILE A 22 26.559 -13.952 -21.897 1.00 0.00 H new ATOM 0 HB ILE A 22 28.172 -16.041 -20.464 1.00 0.00 H new ATOM 0 HG12 ILE A 22 25.407 -15.265 -19.606 1.00 0.00 H new ATOM 0 HG13 ILE A 22 25.546 -16.265 -21.039 1.00 0.00 H new ATOM 0 HG21 ILE A 22 27.650 -14.619 -18.439 1.00 0.00 H new ATOM 0 HG22 ILE A 22 28.621 -13.722 -19.631 1.00 0.00 H new ATOM 0 HG23 ILE A 22 26.871 -13.426 -19.505 1.00 0.00 H new ATOM 0 HD11 ILE A 22 25.374 -17.670 -19.003 1.00 0.00 H new ATOM 0 HD12 ILE A 22 26.958 -17.893 -19.783 1.00 0.00 H new ATOM 0 HD13 ILE A 22 26.817 -16.878 -18.328 1.00 0.00 H new ATOM 342 N PHE A 23 29.772 -14.711 -22.390 1.00 0.00 N ATOM 343 CA PHE A 23 31.104 -14.116 -22.551 1.00 0.00 C ATOM 344 C PHE A 23 31.255 -13.278 -23.816 1.00 0.00 C ATOM 345 O PHE A 23 31.822 -12.187 -23.782 1.00 0.00 O ATOM 346 CB PHE A 23 32.227 -15.168 -22.546 1.00 0.00 C ATOM 347 CG PHE A 23 32.533 -15.683 -21.146 1.00 0.00 C ATOM 348 CD1 PHE A 23 31.520 -16.055 -20.327 1.00 0.00 C ATOM 349 CD2 PHE A 23 33.789 -15.601 -20.645 1.00 0.00 C ATOM 350 CE1 PHE A 23 31.674 -15.938 -18.985 1.00 0.00 C ATOM 351 CE2 PHE A 23 33.957 -15.480 -19.303 1.00 0.00 C ATOM 352 CZ PHE A 23 32.885 -15.594 -18.476 1.00 0.00 C ATOM 0 H PHE A 23 29.728 -15.724 -22.504 1.00 0.00 H new ATOM 0 HA PHE A 23 31.199 -13.463 -21.684 1.00 0.00 H new ATOM 0 HB2 PHE A 23 31.941 -16.004 -23.183 1.00 0.00 H new ATOM 0 HB3 PHE A 23 33.130 -14.734 -22.976 1.00 0.00 H new ATOM 0 HD1 PHE A 23 30.599 -16.441 -20.739 1.00 0.00 H new ATOM 0 HD2 PHE A 23 34.644 -15.631 -21.304 1.00 0.00 H new ATOM 0 HE1 PHE A 23 30.838 -16.117 -18.325 1.00 0.00 H new ATOM 0 HE2 PHE A 23 34.939 -15.294 -18.894 1.00 0.00 H new ATOM 0 HZ PHE A 23 32.996 -15.412 -17.417 1.00 0.00 H new ATOM 362 N ASP A 24 30.742 -13.762 -24.944 1.00 0.00 N ATOM 363 CA ASP A 24 31.054 -13.053 -26.184 1.00 0.00 C ATOM 364 C ASP A 24 30.258 -11.726 -26.365 1.00 0.00 C ATOM 365 O ASP A 24 30.610 -10.879 -27.187 1.00 0.00 O ATOM 366 CB ASP A 24 31.008 -13.964 -27.431 1.00 0.00 C ATOM 367 CG ASP A 24 30.061 -13.494 -28.536 1.00 0.00 C ATOM 368 OD1 ASP A 24 28.831 -13.549 -28.337 1.00 0.00 O ATOM 369 OD2 ASP A 24 30.544 -13.083 -29.611 1.00 0.00 O ATOM 0 H ASP A 24 30.147 -14.586 -25.029 1.00 0.00 H new ATOM 0 HA ASP A 24 32.095 -12.746 -26.080 1.00 0.00 H new ATOM 0 HB2 ASP A 24 32.014 -14.042 -27.843 1.00 0.00 H new ATOM 0 HB3 ASP A 24 30.712 -14.966 -27.120 1.00 0.00 H new ATOM 437 N ASN A 29 33.422 -9.950 -28.465 1.00 0.00 N ATOM 438 CA ASN A 29 33.035 -10.991 -29.445 1.00 0.00 C ATOM 439 C ASN A 29 34.197 -11.919 -29.839 1.00 0.00 C ATOM 440 O ASN A 29 34.008 -12.941 -30.498 1.00 0.00 O ATOM 441 CB ASN A 29 32.310 -10.439 -30.696 1.00 0.00 C ATOM 442 CG ASN A 29 31.248 -9.384 -30.363 1.00 0.00 C ATOM 443 OD1 ASN A 29 31.344 -8.233 -30.786 1.00 0.00 O ATOM 444 ND2 ASN A 29 30.220 -9.742 -29.615 1.00 0.00 N ATOM 0 HA ASN A 29 32.306 -11.598 -28.909 1.00 0.00 H new ATOM 0 HB2 ASN A 29 33.046 -10.003 -31.372 1.00 0.00 H new ATOM 0 HB3 ASN A 29 31.838 -11.265 -31.228 1.00 0.00 H new ATOM 0 HD21 ASN A 29 29.496 -9.061 -29.383 1.00 0.00 H new ATOM 0 HD22 ASN A 29 30.150 -10.699 -29.269 1.00 0.00 H new ATOM 451 N ILE A 30 35.407 -11.541 -29.443 1.00 0.00 N ATOM 452 CA ILE A 30 36.521 -12.478 -29.549 1.00 0.00 C ATOM 453 C ILE A 30 37.076 -12.716 -28.127 1.00 0.00 C ATOM 454 O ILE A 30 37.870 -11.938 -27.599 1.00 0.00 O ATOM 455 CB ILE A 30 37.580 -12.080 -30.611 1.00 0.00 C ATOM 456 CG1 ILE A 30 37.795 -10.552 -30.724 1.00 0.00 C ATOM 457 CG2 ILE A 30 37.161 -12.590 -31.990 1.00 0.00 C ATOM 458 CD1 ILE A 30 38.121 -9.865 -29.395 1.00 0.00 C ATOM 0 H ILE A 30 35.639 -10.625 -29.058 1.00 0.00 H new ATOM 0 HA ILE A 30 36.165 -13.430 -29.944 1.00 0.00 H new ATOM 0 HB ILE A 30 38.514 -12.534 -30.279 1.00 0.00 H new ATOM 0 HG12 ILE A 30 38.606 -10.361 -31.427 1.00 0.00 H new ATOM 0 HG13 ILE A 30 36.896 -10.100 -31.143 1.00 0.00 H new ATOM 0 HG21 ILE A 30 37.912 -12.305 -32.727 1.00 0.00 H new ATOM 0 HG22 ILE A 30 37.072 -13.676 -31.965 1.00 0.00 H new ATOM 0 HG23 ILE A 30 36.200 -12.153 -32.263 1.00 0.00 H new ATOM 0 HD11 ILE A 30 38.257 -8.796 -29.562 1.00 0.00 H new ATOM 0 HD12 ILE A 30 37.301 -10.022 -28.694 1.00 0.00 H new ATOM 0 HD13 ILE A 30 39.037 -10.287 -28.982 1.00 0.00 H new ATOM 470 N ALA A 31 36.609 -13.782 -27.476 1.00 0.00 N ATOM 471 CA ALA A 31 36.931 -13.951 -26.047 1.00 0.00 C ATOM 472 C ALA A 31 38.345 -14.524 -25.809 1.00 0.00 C ATOM 473 O ALA A 31 38.691 -15.567 -26.348 1.00 0.00 O ATOM 474 CB ALA A 31 35.877 -14.810 -25.348 1.00 0.00 C ATOM 0 H ALA A 31 36.031 -14.515 -27.887 1.00 0.00 H new ATOM 0 HA ALA A 31 36.921 -12.952 -25.610 1.00 0.00 H new ATOM 0 HB1 ALA A 31 36.137 -14.920 -24.295 1.00 0.00 H new ATOM 0 HB2 ALA A 31 34.902 -14.330 -25.433 1.00 0.00 H new ATOM 0 HB3 ALA A 31 35.840 -15.793 -25.817 1.00 0.00 H new ATOM 480 N PRO A 32 39.159 -13.946 -24.921 1.00 0.00 N ATOM 481 CA PRO A 32 40.576 -14.330 -24.886 1.00 0.00 C ATOM 482 C PRO A 32 40.843 -15.599 -24.047 1.00 0.00 C ATOM 483 O PRO A 32 39.959 -16.399 -23.744 1.00 0.00 O ATOM 484 CB PRO A 32 41.259 -13.089 -24.281 1.00 0.00 C ATOM 485 CG PRO A 32 40.154 -12.233 -23.662 1.00 0.00 C ATOM 486 CD PRO A 32 38.873 -12.616 -24.389 1.00 0.00 C ATOM 0 HA PRO A 32 40.953 -14.596 -25.873 1.00 0.00 H new ATOM 0 HB2 PRO A 32 41.991 -13.380 -23.527 1.00 0.00 H new ATOM 0 HB3 PRO A 32 41.796 -12.531 -25.048 1.00 0.00 H new ATOM 0 HG2 PRO A 32 40.067 -12.421 -22.592 1.00 0.00 H new ATOM 0 HG3 PRO A 32 40.369 -11.171 -23.782 1.00 0.00 H new ATOM 0 HD2 PRO A 32 38.018 -12.631 -23.713 1.00 0.00 H new ATOM 0 HD3 PRO A 32 38.638 -11.909 -25.185 1.00 0.00 H new ATOM 494 N VAL A 33 42.118 -15.797 -23.748 1.00 0.00 N ATOM 495 CA VAL A 33 42.527 -16.976 -22.910 1.00 0.00 C ATOM 496 C VAL A 33 41.864 -16.959 -21.520 1.00 0.00 C ATOM 497 O VAL A 33 41.312 -17.959 -21.046 1.00 0.00 O ATOM 498 CB VAL A 33 44.046 -17.177 -22.678 1.00 0.00 C ATOM 499 CG1 VAL A 33 44.689 -16.027 -21.900 1.00 0.00 C ATOM 500 CG2 VAL A 33 44.314 -18.515 -21.979 1.00 0.00 C ATOM 0 H VAL A 33 42.884 -15.194 -24.048 1.00 0.00 H new ATOM 0 HA VAL A 33 42.181 -17.806 -23.527 1.00 0.00 H new ATOM 0 HB VAL A 33 44.512 -17.187 -23.663 1.00 0.00 H new ATOM 0 HG11 VAL A 33 45.753 -16.226 -21.770 1.00 0.00 H new ATOM 0 HG12 VAL A 33 44.559 -15.096 -22.452 1.00 0.00 H new ATOM 0 HG13 VAL A 33 44.214 -15.938 -20.923 1.00 0.00 H new ATOM 0 HG21 VAL A 33 45.386 -18.637 -21.825 1.00 0.00 H new ATOM 0 HG22 VAL A 33 43.805 -18.530 -21.015 1.00 0.00 H new ATOM 0 HG23 VAL A 33 43.941 -19.330 -22.599 1.00 0.00 H new ATOM 510 N SER A 34 41.974 -15.819 -20.835 1.00 0.00 N ATOM 511 CA SER A 34 41.333 -15.695 -19.516 1.00 0.00 C ATOM 512 C SER A 34 39.845 -16.068 -19.545 1.00 0.00 C ATOM 513 O SER A 34 39.264 -16.492 -18.545 1.00 0.00 O ATOM 514 CB SER A 34 41.512 -14.300 -18.909 1.00 0.00 C ATOM 515 OG SER A 34 40.934 -13.315 -19.762 1.00 0.00 O ATOM 0 H SER A 34 42.481 -14.993 -21.153 1.00 0.00 H new ATOM 0 HA SER A 34 41.847 -16.413 -18.877 1.00 0.00 H new ATOM 0 HB2 SER A 34 41.044 -14.260 -17.926 1.00 0.00 H new ATOM 0 HB3 SER A 34 42.572 -14.091 -18.766 1.00 0.00 H new ATOM 0 HG SER A 34 41.052 -12.427 -19.364 1.00 0.00 H new ATOM 521 N ASP A 35 39.230 -15.905 -20.711 1.00 0.00 N ATOM 522 CA ASP A 35 37.859 -16.392 -20.884 1.00 0.00 C ATOM 523 C ASP A 35 37.768 -17.931 -20.810 1.00 0.00 C ATOM 524 O ASP A 35 36.881 -18.470 -20.154 1.00 0.00 O ATOM 525 CB ASP A 35 37.206 -15.834 -22.152 1.00 0.00 C ATOM 526 CG ASP A 35 36.911 -14.343 -22.017 1.00 0.00 C ATOM 527 OD1 ASP A 35 37.782 -13.595 -21.521 1.00 0.00 O ATOM 528 OD2 ASP A 35 35.809 -13.911 -22.417 1.00 0.00 O ATOM 0 H ASP A 35 39.640 -15.455 -21.529 1.00 0.00 H new ATOM 0 HA ASP A 35 37.285 -16.009 -20.040 1.00 0.00 H new ATOM 0 HB2 ASP A 35 37.864 -16.000 -23.005 1.00 0.00 H new ATOM 0 HB3 ASP A 35 36.280 -16.373 -22.353 1.00 0.00 H new ATOM 533 N THR A 36 38.695 -18.649 -21.459 1.00 0.00 N ATOM 534 CA THR A 36 38.761 -20.114 -21.256 1.00 0.00 C ATOM 535 C THR A 36 38.959 -20.499 -19.763 1.00 0.00 C ATOM 536 O THR A 36 38.469 -21.533 -19.303 1.00 0.00 O ATOM 537 CB THR A 36 39.781 -20.807 -22.201 1.00 0.00 C ATOM 538 OG1 THR A 36 39.489 -20.452 -23.546 1.00 0.00 O ATOM 539 CG2 THR A 36 39.756 -22.344 -22.111 1.00 0.00 C ATOM 0 H THR A 36 39.386 -18.266 -22.104 1.00 0.00 H new ATOM 0 HA THR A 36 37.784 -20.505 -21.540 1.00 0.00 H new ATOM 0 HB THR A 36 40.768 -20.467 -21.887 1.00 0.00 H new ATOM 0 HG1 THR A 36 38.529 -20.559 -23.712 1.00 0.00 H new ATOM 0 HG21 THR A 36 40.493 -22.761 -22.797 1.00 0.00 H new ATOM 0 HG22 THR A 36 39.993 -22.653 -21.093 1.00 0.00 H new ATOM 0 HG23 THR A 36 38.764 -22.708 -22.379 1.00 0.00 H new ATOM 547 N MET A 37 39.635 -19.643 -18.985 1.00 0.00 N ATOM 548 CA MET A 37 39.730 -19.915 -17.534 1.00 0.00 C ATOM 549 C MET A 37 38.413 -19.679 -16.781 1.00 0.00 C ATOM 550 O MET A 37 37.899 -20.577 -16.109 1.00 0.00 O ATOM 551 CB MET A 37 40.845 -19.104 -16.863 1.00 0.00 C ATOM 552 CG MET A 37 42.230 -19.572 -17.296 1.00 0.00 C ATOM 553 SD MET A 37 42.575 -18.996 -18.958 1.00 0.00 S ATOM 554 CE MET A 37 42.633 -20.585 -19.788 1.00 0.00 C ATOM 0 H MET A 37 40.104 -18.797 -19.308 1.00 0.00 H new ATOM 0 HA MET A 37 39.969 -20.977 -17.469 1.00 0.00 H new ATOM 0 HB2 MET A 37 40.725 -18.049 -17.110 1.00 0.00 H new ATOM 0 HB3 MET A 37 40.755 -19.190 -15.780 1.00 0.00 H new ATOM 0 HG2 MET A 37 42.984 -19.193 -16.606 1.00 0.00 H new ATOM 0 HG3 MET A 37 42.284 -20.660 -17.260 1.00 0.00 H new ATOM 0 HE1 MET A 37 42.680 -20.431 -20.866 1.00 0.00 H new ATOM 0 HE2 MET A 37 43.516 -21.134 -19.461 1.00 0.00 H new ATOM 0 HE3 MET A 37 41.738 -21.157 -19.542 1.00 0.00 H new ATOM 564 N ASP A 38 37.888 -18.447 -16.844 1.00 0.00 N ATOM 565 CA ASP A 38 36.545 -18.204 -16.271 1.00 0.00 C ATOM 566 C ASP A 38 35.545 -19.263 -16.722 1.00 0.00 C ATOM 567 O ASP A 38 34.738 -19.781 -15.955 1.00 0.00 O ATOM 568 CB ASP A 38 35.943 -16.851 -16.681 1.00 0.00 C ATOM 569 CG ASP A 38 34.961 -16.326 -15.639 1.00 0.00 C ATOM 570 OD1 ASP A 38 33.896 -16.951 -15.445 1.00 0.00 O ATOM 571 OD2 ASP A 38 35.247 -15.283 -15.014 1.00 0.00 O ATOM 0 H ASP A 38 38.341 -17.635 -17.263 1.00 0.00 H new ATOM 0 HA ASP A 38 36.704 -18.229 -15.193 1.00 0.00 H new ATOM 0 HB2 ASP A 38 36.744 -16.125 -16.823 1.00 0.00 H new ATOM 0 HB3 ASP A 38 35.434 -16.956 -17.639 1.00 0.00 H new ATOM 576 N MET A 39 35.604 -19.544 -18.012 1.00 0.00 N ATOM 577 CA MET A 39 34.789 -20.601 -18.585 1.00 0.00 C ATOM 578 C MET A 39 34.841 -21.920 -17.839 1.00 0.00 C ATOM 579 O MET A 39 33.844 -22.397 -17.306 1.00 0.00 O ATOM 580 CB MET A 39 35.250 -20.797 -20.028 1.00 0.00 C ATOM 581 CG MET A 39 34.493 -21.893 -20.770 1.00 0.00 C ATOM 582 SD MET A 39 35.636 -22.820 -21.808 1.00 0.00 S ATOM 583 CE MET A 39 34.453 -23.675 -22.863 1.00 0.00 C ATOM 0 H MET A 39 36.204 -19.058 -18.679 1.00 0.00 H new ATOM 0 HA MET A 39 33.747 -20.287 -18.517 1.00 0.00 H new ATOM 0 HB2 MET A 39 35.133 -19.857 -20.568 1.00 0.00 H new ATOM 0 HB3 MET A 39 36.313 -21.036 -20.031 1.00 0.00 H new ATOM 0 HG2 MET A 39 34.009 -22.561 -20.058 1.00 0.00 H new ATOM 0 HG3 MET A 39 33.705 -21.454 -21.382 1.00 0.00 H new ATOM 0 HE1 MET A 39 34.966 -24.069 -23.740 1.00 0.00 H new ATOM 0 HE2 MET A 39 33.998 -24.496 -22.309 1.00 0.00 H new ATOM 0 HE3 MET A 39 33.677 -22.978 -23.179 1.00 0.00 H new ATOM 593 N LEU A 40 36.008 -22.525 -17.779 1.00 0.00 N ATOM 594 CA LEU A 40 36.042 -23.880 -17.226 1.00 0.00 C ATOM 595 C LEU A 40 35.998 -23.935 -15.693 1.00 0.00 C ATOM 596 O LEU A 40 35.849 -24.999 -15.093 1.00 0.00 O ATOM 597 CB LEU A 40 37.122 -24.719 -17.910 1.00 0.00 C ATOM 598 CG LEU A 40 36.936 -24.652 -19.441 1.00 0.00 C ATOM 599 CD1 LEU A 40 38.234 -24.994 -20.152 1.00 0.00 C ATOM 600 CD2 LEU A 40 35.821 -25.594 -19.897 1.00 0.00 C ATOM 0 H LEU A 40 36.901 -22.138 -18.084 1.00 0.00 H new ATOM 0 HA LEU A 40 35.101 -24.370 -17.476 1.00 0.00 H new ATOM 0 HB2 LEU A 40 38.111 -24.350 -17.637 1.00 0.00 H new ATOM 0 HB3 LEU A 40 37.063 -25.753 -17.571 1.00 0.00 H new ATOM 0 HG LEU A 40 36.653 -23.632 -19.701 1.00 0.00 H new ATOM 0 HD11 LEU A 40 38.083 -24.941 -21.230 1.00 0.00 H new ATOM 0 HD12 LEU A 40 39.007 -24.284 -19.859 1.00 0.00 H new ATOM 0 HD13 LEU A 40 38.544 -26.002 -19.878 1.00 0.00 H new ATOM 0 HD21 LEU A 40 35.709 -25.529 -20.979 1.00 0.00 H new ATOM 0 HD22 LEU A 40 36.073 -26.617 -19.619 1.00 0.00 H new ATOM 0 HD23 LEU A 40 34.885 -25.308 -19.418 1.00 0.00 H new ATOM 612 N THR A 41 36.075 -22.771 -15.055 1.00 0.00 N ATOM 613 CA THR A 41 35.751 -22.711 -13.625 1.00 0.00 C ATOM 614 C THR A 41 34.249 -22.428 -13.396 1.00 0.00 C ATOM 615 O THR A 41 33.619 -23.000 -12.504 1.00 0.00 O ATOM 616 CB THR A 41 36.623 -21.693 -12.866 1.00 0.00 C ATOM 617 OG1 THR A 41 37.985 -21.866 -13.237 1.00 0.00 O ATOM 618 CG2 THR A 41 36.497 -21.882 -11.353 1.00 0.00 C ATOM 0 H THR A 41 36.348 -21.885 -15.481 1.00 0.00 H new ATOM 0 HA THR A 41 35.978 -23.696 -13.216 1.00 0.00 H new ATOM 0 HB THR A 41 36.281 -20.691 -13.126 1.00 0.00 H new ATOM 0 HG1 THR A 41 38.127 -21.506 -14.137 1.00 0.00 H new ATOM 0 HG21 THR A 41 37.123 -21.151 -10.842 1.00 0.00 H new ATOM 0 HG22 THR A 41 35.458 -21.743 -11.054 1.00 0.00 H new ATOM 0 HG23 THR A 41 36.820 -22.888 -11.084 1.00 0.00 H new ATOM 626 N LYS A 42 33.667 -21.556 -14.221 1.00 0.00 N ATOM 627 CA LYS A 42 32.264 -21.171 -14.012 1.00 0.00 C ATOM 628 C LYS A 42 31.238 -21.949 -14.852 1.00 0.00 C ATOM 629 O LYS A 42 30.085 -22.091 -14.447 1.00 0.00 O ATOM 630 CB LYS A 42 32.075 -19.654 -14.159 1.00 0.00 C ATOM 631 CG LYS A 42 30.693 -19.198 -13.669 1.00 0.00 C ATOM 632 CD LYS A 42 30.701 -17.711 -13.298 1.00 0.00 C ATOM 633 CE LYS A 42 30.736 -16.823 -14.549 1.00 0.00 C ATOM 634 NZ LYS A 42 31.798 -15.808 -14.422 1.00 0.00 N ATOM 0 H LYS A 42 34.125 -21.113 -15.017 1.00 0.00 H new ATOM 0 HA LYS A 42 32.049 -21.459 -12.983 1.00 0.00 H new ATOM 0 HB2 LYS A 42 32.850 -19.135 -13.594 1.00 0.00 H new ATOM 0 HB3 LYS A 42 32.200 -19.372 -15.204 1.00 0.00 H new ATOM 0 HG2 LYS A 42 29.951 -19.378 -14.447 1.00 0.00 H new ATOM 0 HG3 LYS A 42 30.397 -19.790 -12.803 1.00 0.00 H new ATOM 0 HD2 LYS A 42 29.815 -17.477 -12.708 1.00 0.00 H new ATOM 0 HD3 LYS A 42 31.567 -17.495 -12.672 1.00 0.00 H new ATOM 0 HE2 LYS A 42 30.911 -17.435 -15.434 1.00 0.00 H new ATOM 0 HE3 LYS A 42 29.771 -16.335 -14.685 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 31.565 -14.986 -15.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 31.875 -15.508 -13.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 32.704 -16.213 -14.733 1.00 0.00 H new ATOM 648 N LEU A 43 31.627 -22.433 -16.035 1.00 0.00 N ATOM 649 CA LEU A 43 30.695 -23.292 -16.789 1.00 0.00 C ATOM 650 C LEU A 43 30.282 -24.508 -15.945 1.00 0.00 C ATOM 651 O LEU A 43 29.123 -24.921 -15.928 1.00 0.00 O ATOM 652 CB LEU A 43 31.235 -23.861 -18.122 1.00 0.00 C ATOM 653 CG LEU A 43 31.519 -22.845 -19.249 1.00 0.00 C ATOM 654 CD1 LEU A 43 31.973 -23.604 -20.475 1.00 0.00 C ATOM 655 CD2 LEU A 43 30.312 -22.052 -19.694 1.00 0.00 C ATOM 0 H LEU A 43 32.530 -22.261 -16.478 1.00 0.00 H new ATOM 0 HA LEU A 43 29.867 -22.622 -17.020 1.00 0.00 H new ATOM 0 HB2 LEU A 43 32.158 -24.401 -17.911 1.00 0.00 H new ATOM 0 HB3 LEU A 43 30.517 -24.591 -18.496 1.00 0.00 H new ATOM 0 HG LEU A 43 32.259 -22.156 -18.842 1.00 0.00 H new ATOM 0 HD11 LEU A 43 32.178 -22.901 -21.283 1.00 0.00 H new ATOM 0 HD12 LEU A 43 32.879 -24.164 -20.242 1.00 0.00 H new ATOM 0 HD13 LEU A 43 31.190 -24.295 -20.786 1.00 0.00 H new ATOM 0 HD21 LEU A 43 30.602 -21.363 -20.488 1.00 0.00 H new ATOM 0 HD22 LEU A 43 29.546 -22.733 -20.066 1.00 0.00 H new ATOM 0 HD23 LEU A 43 29.916 -21.487 -18.850 1.00 0.00 H new ATOM 667 N GLY A 44 31.257 -25.089 -15.246 1.00 0.00 N ATOM 668 CA GLY A 44 30.950 -26.269 -14.421 1.00 0.00 C ATOM 669 C GLY A 44 31.378 -27.579 -15.101 1.00 0.00 C ATOM 670 O GLY A 44 30.943 -28.663 -14.712 1.00 0.00 O ATOM 0 H GLY A 44 32.230 -24.782 -15.228 1.00 0.00 H new ATOM 0 HA2 GLY A 44 31.455 -26.179 -13.459 1.00 0.00 H new ATOM 0 HA3 GLY A 44 29.880 -26.300 -14.218 1.00 0.00 H new ATOM 674 N GLN A 45 32.243 -27.491 -16.110 1.00 0.00 N ATOM 675 CA GLN A 45 32.689 -28.715 -16.790 1.00 0.00 C ATOM 676 C GLN A 45 34.204 -28.714 -17.005 1.00 0.00 C ATOM 677 O GLN A 45 34.704 -28.370 -18.078 1.00 0.00 O ATOM 678 CB GLN A 45 31.974 -28.957 -18.130 1.00 0.00 C ATOM 679 CG GLN A 45 30.505 -29.363 -17.942 1.00 0.00 C ATOM 680 CD GLN A 45 29.563 -28.289 -18.471 1.00 0.00 C ATOM 681 OE1 GLN A 45 29.390 -28.116 -19.675 1.00 0.00 O ATOM 682 NE2 GLN A 45 28.940 -27.551 -17.574 1.00 0.00 N ATOM 0 H GLN A 45 32.639 -26.622 -16.468 1.00 0.00 H new ATOM 0 HA GLN A 45 32.420 -29.535 -16.124 1.00 0.00 H new ATOM 0 HB2 GLN A 45 32.024 -28.051 -18.735 1.00 0.00 H new ATOM 0 HB3 GLN A 45 32.497 -29.738 -18.682 1.00 0.00 H new ATOM 0 HG2 GLN A 45 30.316 -30.303 -18.460 1.00 0.00 H new ATOM 0 HG3 GLN A 45 30.306 -29.536 -16.884 1.00 0.00 H new ATOM 0 HE21 GLN A 45 29.100 -27.714 -16.580 1.00 0.00 H new ATOM 0 HE22 GLN A 45 28.298 -26.817 -17.874 1.00 0.00 H new ATOM 691 N THR A 46 34.950 -29.093 -15.976 1.00 0.00 N ATOM 692 CA THR A 46 36.406 -29.190 -16.149 1.00 0.00 C ATOM 693 C THR A 46 36.744 -30.518 -16.911 1.00 0.00 C ATOM 694 O THR A 46 36.208 -31.562 -16.536 1.00 0.00 O ATOM 695 CB THR A 46 37.187 -29.181 -14.817 1.00 0.00 C ATOM 696 OG1 THR A 46 36.545 -30.041 -13.884 1.00 0.00 O ATOM 697 CG2 THR A 46 37.258 -27.770 -14.230 1.00 0.00 C ATOM 0 H THR A 46 34.598 -29.331 -15.048 1.00 0.00 H new ATOM 0 HA THR A 46 36.713 -28.308 -16.711 1.00 0.00 H new ATOM 0 HB THR A 46 38.201 -29.528 -15.014 1.00 0.00 H new ATOM 0 HG1 THR A 46 36.213 -30.838 -14.348 1.00 0.00 H new ATOM 0 HG21 THR A 46 37.813 -27.793 -13.292 1.00 0.00 H new ATOM 0 HG22 THR A 46 37.762 -27.108 -14.934 1.00 0.00 H new ATOM 0 HG23 THR A 46 36.249 -27.402 -14.045 1.00 0.00 H new ATOM 705 N TYR A 47 37.603 -30.556 -17.954 1.00 0.00 N ATOM 706 CA TYR A 47 37.545 -31.747 -18.811 1.00 0.00 C ATOM 707 C TYR A 47 38.503 -32.862 -18.334 1.00 0.00 C ATOM 708 O TYR A 47 38.311 -33.428 -17.258 1.00 0.00 O ATOM 709 CB TYR A 47 37.653 -31.386 -20.301 1.00 0.00 C ATOM 710 CG TYR A 47 36.333 -30.840 -20.857 1.00 0.00 C ATOM 711 CD1 TYR A 47 36.051 -29.511 -20.791 1.00 0.00 C ATOM 712 CD2 TYR A 47 35.443 -31.684 -21.446 1.00 0.00 C ATOM 713 CE1 TYR A 47 34.863 -29.040 -21.253 1.00 0.00 C ATOM 714 CE2 TYR A 47 34.255 -31.212 -21.907 1.00 0.00 C ATOM 715 CZ TYR A 47 33.967 -29.893 -21.808 1.00 0.00 C ATOM 716 OH TYR A 47 32.759 -29.423 -22.253 1.00 0.00 O ATOM 0 H TYR A 47 38.286 -29.841 -18.205 1.00 0.00 H new ATOM 0 HA TYR A 47 36.554 -32.188 -18.706 1.00 0.00 H new ATOM 0 HB2 TYR A 47 38.439 -30.643 -20.438 1.00 0.00 H new ATOM 0 HB3 TYR A 47 37.947 -32.269 -20.868 1.00 0.00 H new ATOM 0 HD1 TYR A 47 36.774 -28.828 -20.370 1.00 0.00 H new ATOM 0 HD2 TYR A 47 35.682 -32.732 -21.547 1.00 0.00 H new ATOM 0 HE1 TYR A 47 34.633 -27.987 -21.178 1.00 0.00 H new ATOM 0 HE2 TYR A 47 33.541 -31.889 -22.352 1.00 0.00 H new ATOM 0 HH TYR A 47 32.052 -30.058 -22.013 1.00 0.00 H new ATOM 726 N THR A 48 39.547 -33.188 -19.103 1.00 0.00 N ATOM 727 CA THR A 48 40.448 -34.261 -18.643 1.00 0.00 C ATOM 728 C THR A 48 41.645 -33.704 -17.852 1.00 0.00 C ATOM 729 O THR A 48 41.507 -33.296 -16.699 1.00 0.00 O ATOM 730 CB THR A 48 40.858 -35.237 -19.764 1.00 0.00 C ATOM 731 OG1 THR A 48 41.564 -34.537 -20.779 1.00 0.00 O ATOM 732 CG2 THR A 48 39.632 -35.913 -20.383 1.00 0.00 C ATOM 0 H THR A 48 39.785 -32.757 -19.996 1.00 0.00 H new ATOM 0 HA THR A 48 39.872 -34.868 -17.945 1.00 0.00 H new ATOM 0 HB THR A 48 41.497 -36.004 -19.325 1.00 0.00 H new ATOM 0 HG1 THR A 48 41.005 -33.809 -21.124 1.00 0.00 H new ATOM 0 HG21 THR A 48 39.952 -36.596 -21.170 1.00 0.00 H new ATOM 0 HG22 THR A 48 39.097 -36.471 -19.614 1.00 0.00 H new ATOM 0 HG23 THR A 48 38.973 -35.155 -20.806 1.00 0.00 H new ATOM 740 N LYS A 49 42.832 -33.695 -18.454 1.00 0.00 N ATOM 741 CA LYS A 49 43.994 -33.153 -17.731 1.00 0.00 C ATOM 742 C LYS A 49 45.125 -32.732 -18.676 1.00 0.00 C ATOM 743 O LYS A 49 45.586 -31.593 -18.642 1.00 0.00 O ATOM 744 CB LYS A 49 44.519 -34.094 -16.628 1.00 0.00 C ATOM 745 CG LYS A 49 44.693 -33.371 -15.284 1.00 0.00 C ATOM 746 CD LYS A 49 45.845 -32.356 -15.319 1.00 0.00 C ATOM 747 CE LYS A 49 45.334 -30.937 -15.063 1.00 0.00 C ATOM 748 NZ LYS A 49 46.453 -29.981 -15.117 1.00 0.00 N ATOM 0 H LYS A 49 43.018 -34.038 -19.396 1.00 0.00 H new ATOM 0 HA LYS A 49 43.626 -32.257 -17.231 1.00 0.00 H new ATOM 0 HB2 LYS A 49 43.827 -34.927 -16.504 1.00 0.00 H new ATOM 0 HB3 LYS A 49 45.475 -34.517 -16.938 1.00 0.00 H new ATOM 0 HG2 LYS A 49 43.766 -32.858 -15.026 1.00 0.00 H new ATOM 0 HG3 LYS A 49 44.880 -34.105 -14.500 1.00 0.00 H new ATOM 0 HD2 LYS A 49 46.589 -32.619 -14.567 1.00 0.00 H new ATOM 0 HD3 LYS A 49 46.342 -32.398 -16.288 1.00 0.00 H new ATOM 0 HE2 LYS A 49 44.583 -30.672 -15.807 1.00 0.00 H new ATOM 0 HE3 LYS A 49 44.849 -30.887 -14.088 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 46.132 -29.052 -14.778 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 47.229 -30.321 -14.514 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 46.789 -29.895 -16.097 1.00 0.00 H new ATOM 762 N ARG A 50 45.609 -33.659 -19.501 1.00 0.00 N ATOM 763 CA ARG A 50 46.685 -33.298 -20.439 1.00 0.00 C ATOM 764 C ARG A 50 46.162 -32.840 -21.811 1.00 0.00 C ATOM 765 O ARG A 50 46.538 -31.787 -22.332 1.00 0.00 O ATOM 766 CB ARG A 50 47.705 -34.438 -20.610 1.00 0.00 C ATOM 767 CG ARG A 50 49.103 -33.910 -20.971 1.00 0.00 C ATOM 768 CD ARG A 50 50.007 -33.842 -19.732 1.00 0.00 C ATOM 769 NE ARG A 50 50.774 -32.585 -19.717 1.00 0.00 N ATOM 770 CZ ARG A 50 50.245 -31.499 -19.160 1.00 0.00 C ATOM 771 NH1 ARG A 50 49.428 -31.598 -18.129 1.00 0.00 N ATOM 772 NH2 ARG A 50 50.557 -30.311 -19.629 1.00 0.00 N ATOM 0 H ARG A 50 45.294 -34.628 -19.546 1.00 0.00 H new ATOM 0 HA ARG A 50 47.191 -32.446 -19.985 1.00 0.00 H new ATOM 0 HB2 ARG A 50 47.762 -35.015 -19.687 1.00 0.00 H new ATOM 0 HB3 ARG A 50 47.362 -35.118 -21.390 1.00 0.00 H new ATOM 0 HG2 ARG A 50 49.557 -34.558 -21.721 1.00 0.00 H new ATOM 0 HG3 ARG A 50 49.017 -32.919 -21.416 1.00 0.00 H new ATOM 0 HD2 ARG A 50 49.401 -33.915 -18.829 1.00 0.00 H new ATOM 0 HD3 ARG A 50 50.690 -34.691 -19.727 1.00 0.00 H new ATOM 0 HE ARG A 50 51.705 -32.547 -20.131 1.00 0.00 H new ATOM 0 HH11 ARG A 50 49.195 -32.516 -17.749 1.00 0.00 H new ATOM 0 HH12 ARG A 50 49.029 -30.757 -17.712 1.00 0.00 H new ATOM 0 HH21 ARG A 50 51.201 -30.226 -20.415 1.00 0.00 H new ATOM 0 HH22 ARG A 50 50.155 -29.474 -19.207 1.00 0.00 H new ATOM 786 N GLU A 51 45.273 -33.632 -22.394 1.00 0.00 N ATOM 787 CA GLU A 51 44.785 -33.309 -23.741 1.00 0.00 C ATOM 788 C GLU A 51 43.832 -32.096 -23.758 1.00 0.00 C ATOM 789 O GLU A 51 43.920 -31.204 -24.610 1.00 0.00 O ATOM 790 CB GLU A 51 44.194 -34.552 -24.430 1.00 0.00 C ATOM 791 CG GLU A 51 45.175 -35.735 -24.462 1.00 0.00 C ATOM 792 CD GLU A 51 44.827 -36.761 -23.388 1.00 0.00 C ATOM 793 OE1 GLU A 51 43.960 -37.628 -23.639 1.00 0.00 O ATOM 794 OE2 GLU A 51 45.409 -36.697 -22.283 1.00 0.00 O ATOM 0 H GLU A 51 44.881 -34.477 -21.978 1.00 0.00 H new ATOM 0 HA GLU A 51 45.647 -32.998 -24.331 1.00 0.00 H new ATOM 0 HB2 GLU A 51 43.285 -34.853 -23.910 1.00 0.00 H new ATOM 0 HB3 GLU A 51 43.907 -34.295 -25.450 1.00 0.00 H new ATOM 0 HG2 GLU A 51 45.149 -36.208 -25.444 1.00 0.00 H new ATOM 0 HG3 GLU A 51 46.192 -35.373 -24.309 1.00 0.00 H new ATOM 801 N THR A 52 42.912 -32.029 -22.800 1.00 0.00 N ATOM 802 CA THR A 52 42.110 -30.812 -22.710 1.00 0.00 C ATOM 803 C THR A 52 42.946 -29.610 -22.206 1.00 0.00 C ATOM 804 O THR A 52 42.608 -28.448 -22.425 1.00 0.00 O ATOM 805 CB THR A 52 40.790 -30.983 -21.943 1.00 0.00 C ATOM 806 OG1 THR A 52 40.462 -32.360 -21.825 1.00 0.00 O ATOM 807 CG2 THR A 52 39.668 -30.318 -22.729 1.00 0.00 C ATOM 0 H THR A 52 42.709 -32.755 -22.113 1.00 0.00 H new ATOM 0 HA THR A 52 41.802 -30.587 -23.731 1.00 0.00 H new ATOM 0 HB THR A 52 40.905 -30.537 -20.955 1.00 0.00 H new ATOM 0 HG1 THR A 52 40.345 -32.746 -22.718 1.00 0.00 H new ATOM 0 HG21 THR A 52 38.728 -30.435 -22.191 1.00 0.00 H new ATOM 0 HG22 THR A 52 39.887 -29.257 -22.849 1.00 0.00 H new ATOM 0 HG23 THR A 52 39.585 -30.785 -23.710 1.00 0.00 H new ATOM 815 N GLU A 53 44.058 -29.888 -21.524 1.00 0.00 N ATOM 816 CA GLU A 53 45.075 -28.831 -21.339 1.00 0.00 C ATOM 817 C GLU A 53 45.523 -28.271 -22.702 1.00 0.00 C ATOM 818 O GLU A 53 45.761 -27.074 -22.861 1.00 0.00 O ATOM 819 CB GLU A 53 46.315 -29.273 -20.547 1.00 0.00 C ATOM 820 CG GLU A 53 46.356 -28.645 -19.147 1.00 0.00 C ATOM 821 CD GLU A 53 47.693 -28.905 -18.470 1.00 0.00 C ATOM 822 OE1 GLU A 53 48.727 -28.408 -18.967 1.00 0.00 O ATOM 823 OE2 GLU A 53 47.718 -29.613 -17.441 1.00 0.00 O ATOM 0 H GLU A 53 44.280 -30.791 -21.104 1.00 0.00 H new ATOM 0 HA GLU A 53 44.582 -28.062 -20.744 1.00 0.00 H new ATOM 0 HB2 GLU A 53 46.320 -30.359 -20.458 1.00 0.00 H new ATOM 0 HB3 GLU A 53 47.214 -28.994 -21.096 1.00 0.00 H new ATOM 0 HG2 GLU A 53 46.185 -27.571 -19.222 1.00 0.00 H new ATOM 0 HG3 GLU A 53 45.550 -29.054 -18.538 1.00 0.00 H new ATOM 830 N ALA A 54 45.673 -29.166 -23.683 1.00 0.00 N ATOM 831 CA ALA A 54 45.822 -28.711 -25.079 1.00 0.00 C ATOM 832 C ALA A 54 44.703 -27.754 -25.501 1.00 0.00 C ATOM 833 O ALA A 54 44.955 -26.728 -26.135 1.00 0.00 O ATOM 834 CB ALA A 54 45.876 -29.859 -26.093 1.00 0.00 C ATOM 0 H ALA A 54 45.695 -30.177 -23.551 1.00 0.00 H new ATOM 0 HA ALA A 54 46.780 -28.191 -25.090 1.00 0.00 H new ATOM 0 HB1 ALA A 54 45.986 -29.452 -27.098 1.00 0.00 H new ATOM 0 HB2 ALA A 54 46.725 -30.504 -25.868 1.00 0.00 H new ATOM 0 HB3 ALA A 54 44.955 -30.439 -26.035 1.00 0.00 H new ATOM 840 N ILE A 55 43.450 -28.097 -25.166 1.00 0.00 N ATOM 841 CA ILE A 55 42.349 -27.112 -25.382 1.00 0.00 C ATOM 842 C ILE A 55 42.770 -25.716 -24.879 1.00 0.00 C ATOM 843 O ILE A 55 42.836 -24.730 -25.624 1.00 0.00 O ATOM 844 CB ILE A 55 40.964 -27.405 -24.700 1.00 0.00 C ATOM 845 CG1 ILE A 55 40.176 -28.515 -25.346 1.00 0.00 C ATOM 846 CG2 ILE A 55 40.113 -26.155 -24.728 1.00 0.00 C ATOM 847 CD1 ILE A 55 38.737 -28.681 -24.833 1.00 0.00 C ATOM 0 H ILE A 55 43.170 -28.993 -24.766 1.00 0.00 H new ATOM 0 HA ILE A 55 42.195 -27.182 -26.459 1.00 0.00 H new ATOM 0 HB ILE A 55 41.199 -27.723 -23.684 1.00 0.00 H new ATOM 0 HG12 ILE A 55 40.143 -28.337 -26.421 1.00 0.00 H new ATOM 0 HG13 ILE A 55 40.709 -29.453 -25.194 1.00 0.00 H new ATOM 0 HG21 ILE A 55 39.152 -26.358 -24.255 1.00 0.00 H new ATOM 0 HG22 ILE A 55 40.622 -25.356 -24.188 1.00 0.00 H new ATOM 0 HG23 ILE A 55 39.951 -25.848 -25.761 1.00 0.00 H new ATOM 0 HD11 ILE A 55 38.256 -29.505 -25.360 1.00 0.00 H new ATOM 0 HD12 ILE A 55 38.754 -28.895 -23.764 1.00 0.00 H new ATOM 0 HD13 ILE A 55 38.179 -27.761 -25.010 1.00 0.00 H new ATOM 859 N MET A 56 43.025 -25.658 -23.574 1.00 0.00 N ATOM 860 CA MET A 56 43.283 -24.359 -22.930 1.00 0.00 C ATOM 861 C MET A 56 44.487 -23.599 -23.517 1.00 0.00 C ATOM 862 O MET A 56 44.531 -22.369 -23.500 1.00 0.00 O ATOM 863 CB MET A 56 43.402 -24.441 -21.390 1.00 0.00 C ATOM 864 CG MET A 56 42.755 -25.692 -20.764 1.00 0.00 C ATOM 865 SD MET A 56 41.038 -25.865 -21.295 1.00 0.00 S ATOM 866 CE MET A 56 40.578 -27.345 -20.357 1.00 0.00 C ATOM 0 H MET A 56 43.060 -26.465 -22.952 1.00 0.00 H new ATOM 0 HA MET A 56 42.388 -23.781 -23.162 1.00 0.00 H new ATOM 0 HB2 MET A 56 44.457 -24.419 -21.118 1.00 0.00 H new ATOM 0 HB3 MET A 56 42.942 -23.554 -20.955 1.00 0.00 H new ATOM 0 HG2 MET A 56 43.319 -26.580 -21.050 1.00 0.00 H new ATOM 0 HG3 MET A 56 42.798 -25.623 -19.677 1.00 0.00 H new ATOM 0 HE1 MET A 56 39.804 -27.891 -20.896 1.00 0.00 H new ATOM 0 HE2 MET A 56 41.453 -27.983 -20.232 1.00 0.00 H new ATOM 0 HE3 MET A 56 40.200 -27.052 -19.378 1.00 0.00 H new ATOM 876 N LYS A 57 45.467 -24.328 -24.046 1.00 0.00 N ATOM 877 CA LYS A 57 46.634 -23.652 -24.627 1.00 0.00 C ATOM 878 C LYS A 57 46.398 -23.141 -26.060 1.00 0.00 C ATOM 879 O LYS A 57 46.854 -22.059 -26.430 1.00 0.00 O ATOM 880 CB LYS A 57 47.897 -24.523 -24.560 1.00 0.00 C ATOM 881 CG LYS A 57 48.477 -24.555 -23.140 1.00 0.00 C ATOM 882 CD LYS A 57 49.365 -25.786 -22.929 1.00 0.00 C ATOM 883 CE LYS A 57 49.842 -25.876 -21.477 1.00 0.00 C ATOM 884 NZ LYS A 57 48.721 -26.251 -20.594 1.00 0.00 N ATOM 0 H LYS A 57 45.484 -25.347 -24.087 1.00 0.00 H new ATOM 0 HA LYS A 57 46.793 -22.771 -24.005 1.00 0.00 H new ATOM 0 HB2 LYS A 57 47.659 -25.537 -24.881 1.00 0.00 H new ATOM 0 HB3 LYS A 57 48.645 -24.137 -25.252 1.00 0.00 H new ATOM 0 HG2 LYS A 57 49.058 -23.650 -22.962 1.00 0.00 H new ATOM 0 HG3 LYS A 57 47.665 -24.561 -22.413 1.00 0.00 H new ATOM 0 HD2 LYS A 57 48.811 -26.688 -23.190 1.00 0.00 H new ATOM 0 HD3 LYS A 57 50.226 -25.737 -23.596 1.00 0.00 H new ATOM 0 HE2 LYS A 57 50.641 -26.612 -21.394 1.00 0.00 H new ATOM 0 HE3 LYS A 57 50.257 -24.918 -21.163 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 48.593 -25.519 -19.866 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 47.850 -26.337 -21.156 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 48.929 -27.162 -20.137 1.00 0.00 H new ATOM 898 N GLU A 58 45.683 -23.911 -26.878 1.00 0.00 N ATOM 899 CA GLU A 58 45.459 -23.474 -28.272 1.00 0.00 C ATOM 900 C GLU A 58 44.375 -22.388 -28.442 1.00 0.00 C ATOM 901 O GLU A 58 44.361 -21.654 -29.431 1.00 0.00 O ATOM 902 CB GLU A 58 45.228 -24.666 -29.214 1.00 0.00 C ATOM 903 CG GLU A 58 43.818 -25.247 -29.064 1.00 0.00 C ATOM 904 CD GLU A 58 43.674 -26.556 -29.825 1.00 0.00 C ATOM 905 OE1 GLU A 58 43.498 -26.516 -31.062 1.00 0.00 O ATOM 906 OE2 GLU A 58 43.731 -27.631 -29.190 1.00 0.00 O ATOM 0 H GLU A 58 45.261 -24.804 -26.624 1.00 0.00 H new ATOM 0 HA GLU A 58 46.389 -22.986 -28.564 1.00 0.00 H new ATOM 0 HB2 GLU A 58 45.382 -24.349 -30.245 1.00 0.00 H new ATOM 0 HB3 GLU A 58 45.965 -25.442 -29.005 1.00 0.00 H new ATOM 0 HG2 GLU A 58 43.601 -25.412 -28.009 1.00 0.00 H new ATOM 0 HG3 GLU A 58 43.086 -24.528 -29.431 1.00 0.00 H new ATOM 913 N ALA A 59 43.452 -22.292 -27.481 1.00 0.00 N ATOM 914 CA ALA A 59 42.439 -21.228 -27.522 1.00 0.00 C ATOM 915 C ALA A 59 43.045 -19.860 -27.807 1.00 0.00 C ATOM 916 O ALA A 59 42.831 -19.249 -28.855 1.00 0.00 O ATOM 917 CB ALA A 59 41.663 -21.142 -26.197 1.00 0.00 C ATOM 0 H ALA A 59 43.383 -22.921 -26.681 1.00 0.00 H new ATOM 0 HA ALA A 59 41.764 -21.495 -28.335 1.00 0.00 H new ATOM 0 HB1 ALA A 59 40.922 -20.345 -26.261 1.00 0.00 H new ATOM 0 HB2 ALA A 59 41.161 -22.091 -26.007 1.00 0.00 H new ATOM 0 HB3 ALA A 59 42.356 -20.929 -25.383 1.00 0.00 H new ATOM 923 N ARG A 60 43.828 -19.391 -26.855 1.00 0.00 N ATOM 924 CA ARG A 60 44.488 -18.120 -27.051 1.00 0.00 C ATOM 925 C ARG A 60 45.984 -18.225 -26.851 1.00 0.00 C ATOM 926 O ARG A 60 46.487 -18.383 -25.736 1.00 0.00 O ATOM 927 CB ARG A 60 43.899 -17.075 -26.122 1.00 0.00 C ATOM 928 CG ARG A 60 44.837 -15.851 -25.938 1.00 0.00 C ATOM 929 CD ARG A 60 44.073 -14.554 -25.643 1.00 0.00 C ATOM 930 NE ARG A 60 44.575 -13.454 -26.480 1.00 0.00 N ATOM 931 CZ ARG A 60 45.197 -12.435 -25.901 1.00 0.00 C ATOM 932 NH1 ARG A 60 46.130 -12.649 -24.993 1.00 0.00 N ATOM 933 NH2 ARG A 60 44.907 -11.204 -26.263 1.00 0.00 N ATOM 0 H ARG A 60 44.018 -19.854 -25.966 1.00 0.00 H new ATOM 0 HA ARG A 60 44.319 -17.815 -28.084 1.00 0.00 H new ATOM 0 HB2 ARG A 60 42.941 -16.739 -26.518 1.00 0.00 H new ATOM 0 HB3 ARG A 60 43.701 -17.527 -25.150 1.00 0.00 H new ATOM 0 HG2 ARG A 60 45.532 -16.051 -25.122 1.00 0.00 H new ATOM 0 HG3 ARG A 60 45.434 -15.718 -26.840 1.00 0.00 H new ATOM 0 HD2 ARG A 60 43.009 -14.702 -25.828 1.00 0.00 H new ATOM 0 HD3 ARG A 60 44.180 -14.294 -24.590 1.00 0.00 H new ATOM 0 HE ARG A 60 44.447 -13.474 -27.492 1.00 0.00 H new ATOM 0 HH11 ARG A 60 46.378 -13.603 -24.732 1.00 0.00 H new ATOM 0 HH12 ARG A 60 46.603 -11.860 -24.553 1.00 0.00 H new ATOM 0 HH21 ARG A 60 44.207 -11.036 -26.986 1.00 0.00 H new ATOM 0 HH22 ARG A 60 45.382 -10.417 -25.821 1.00 0.00 H new ATOM 1031 N LYS A 67 45.091 -13.287 -30.440 1.00 0.00 N ATOM 1032 CA LYS A 67 44.575 -14.665 -30.412 1.00 0.00 C ATOM 1033 C LYS A 67 43.463 -14.857 -29.393 1.00 0.00 C ATOM 1034 O LYS A 67 43.628 -15.504 -28.366 1.00 0.00 O ATOM 1035 CB LYS A 67 45.684 -15.725 -30.338 1.00 0.00 C ATOM 1036 CG LYS A 67 45.150 -17.142 -30.626 1.00 0.00 C ATOM 1037 CD LYS A 67 44.705 -17.323 -32.084 1.00 0.00 C ATOM 1038 CE LYS A 67 44.364 -18.787 -32.384 1.00 0.00 C ATOM 1039 NZ LYS A 67 43.162 -19.211 -31.637 1.00 0.00 N ATOM 0 HA LYS A 67 44.103 -14.831 -31.380 1.00 0.00 H new ATOM 0 HB2 LYS A 67 46.467 -15.480 -31.055 1.00 0.00 H new ATOM 0 HB3 LYS A 67 46.140 -15.704 -29.348 1.00 0.00 H new ATOM 0 HG2 LYS A 67 45.925 -17.872 -30.394 1.00 0.00 H new ATOM 0 HG3 LYS A 67 44.308 -17.350 -29.965 1.00 0.00 H new ATOM 0 HD2 LYS A 67 43.835 -16.697 -32.281 1.00 0.00 H new ATOM 0 HD3 LYS A 67 45.498 -16.987 -32.753 1.00 0.00 H new ATOM 0 HE2 LYS A 67 44.196 -18.914 -33.454 1.00 0.00 H new ATOM 0 HE3 LYS A 67 45.207 -19.424 -32.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 42.940 -20.200 -31.869 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 43.340 -19.126 -30.616 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 42.358 -18.605 -31.900 1.00 0.00 H new ATOM 1053 N ASN A 68 42.300 -14.312 -29.701 1.00 0.00 N ATOM 1054 CA ASN A 68 41.150 -14.540 -28.823 1.00 0.00 C ATOM 1055 C ASN A 68 40.137 -15.406 -29.563 1.00 0.00 C ATOM 1056 O ASN A 68 40.062 -15.385 -30.793 1.00 0.00 O ATOM 1057 CB ASN A 68 40.443 -13.264 -28.345 1.00 0.00 C ATOM 1058 CG ASN A 68 41.332 -12.019 -28.362 1.00 0.00 C ATOM 1059 OD1 ASN A 68 41.884 -11.602 -27.345 1.00 0.00 O ATOM 1060 ND2 ASN A 68 41.493 -11.419 -29.527 1.00 0.00 N ATOM 0 H ASN A 68 42.121 -13.729 -30.519 1.00 0.00 H new ATOM 0 HA ASN A 68 41.543 -15.024 -27.929 1.00 0.00 H new ATOM 0 HB2 ASN A 68 39.572 -13.085 -28.976 1.00 0.00 H new ATOM 0 HB3 ASN A 68 40.075 -13.422 -27.331 1.00 0.00 H new ATOM 0 HD21 ASN A 68 42.085 -10.592 -29.597 1.00 0.00 H new ATOM 0 HD22 ASN A 68 41.025 -11.783 -30.357 1.00 0.00 H new ATOM 1067 N ILE A 69 39.322 -16.149 -28.834 1.00 0.00 N ATOM 1068 CA ILE A 69 38.372 -17.013 -29.546 1.00 0.00 C ATOM 1069 C ILE A 69 37.050 -16.329 -29.878 1.00 0.00 C ATOM 1070 O ILE A 69 36.239 -15.967 -29.027 1.00 0.00 O ATOM 1071 CB ILE A 69 38.171 -18.434 -29.018 1.00 0.00 C ATOM 1072 CG1 ILE A 69 36.971 -18.592 -28.073 1.00 0.00 C ATOM 1073 CG2 ILE A 69 39.452 -18.994 -28.382 1.00 0.00 C ATOM 1074 CD1 ILE A 69 37.145 -17.876 -26.735 1.00 0.00 C ATOM 0 H ILE A 69 39.288 -16.181 -27.815 1.00 0.00 H new ATOM 0 HA ILE A 69 38.908 -17.177 -30.481 1.00 0.00 H new ATOM 0 HB ILE A 69 37.934 -19.029 -29.900 1.00 0.00 H new ATOM 0 HG12 ILE A 69 36.078 -18.209 -28.567 1.00 0.00 H new ATOM 0 HG13 ILE A 69 36.803 -19.653 -27.888 1.00 0.00 H new ATOM 0 HG21 ILE A 69 39.266 -20.005 -28.020 1.00 0.00 H new ATOM 0 HG22 ILE A 69 40.248 -19.016 -29.126 1.00 0.00 H new ATOM 0 HG23 ILE A 69 39.752 -18.359 -27.548 1.00 0.00 H new ATOM 0 HD11 ILE A 69 36.258 -18.032 -26.121 1.00 0.00 H new ATOM 0 HD12 ILE A 69 38.018 -18.275 -26.220 1.00 0.00 H new ATOM 0 HD13 ILE A 69 37.283 -16.809 -26.909 1.00 0.00 H new ATOM 1086 N GLY A 70 36.833 -16.225 -31.165 1.00 0.00 N ATOM 1087 CA GLY A 70 35.635 -15.531 -31.648 1.00 0.00 C ATOM 1088 C GLY A 70 34.482 -16.490 -31.962 1.00 0.00 C ATOM 1089 O GLY A 70 34.377 -17.571 -31.381 1.00 0.00 O ATOM 0 H GLY A 70 37.444 -16.597 -31.892 1.00 0.00 H new ATOM 0 HA2 GLY A 70 35.309 -14.811 -30.897 1.00 0.00 H new ATOM 0 HA3 GLY A 70 35.885 -14.964 -32.545 1.00 0.00 H new ATOM 1093 N PRO A 71 33.547 -16.033 -32.810 1.00 0.00 N ATOM 1094 CA PRO A 71 32.303 -16.785 -33.054 1.00 0.00 C ATOM 1095 C PRO A 71 32.436 -18.315 -33.066 1.00 0.00 C ATOM 1096 O PRO A 71 31.742 -19.017 -32.331 1.00 0.00 O ATOM 1097 CB PRO A 71 31.801 -16.273 -34.414 1.00 0.00 C ATOM 1098 CG PRO A 71 32.845 -15.300 -34.967 1.00 0.00 C ATOM 1099 CD PRO A 71 33.940 -15.157 -33.915 1.00 0.00 C ATOM 0 HA PRO A 71 31.615 -16.611 -32.226 1.00 0.00 H new ATOM 0 HB2 PRO A 71 31.652 -17.104 -35.103 1.00 0.00 H new ATOM 0 HB3 PRO A 71 30.838 -15.775 -34.302 1.00 0.00 H new ATOM 0 HG2 PRO A 71 33.259 -15.674 -35.903 1.00 0.00 H new ATOM 0 HG3 PRO A 71 32.391 -14.333 -35.182 1.00 0.00 H new ATOM 0 HD2 PRO A 71 34.910 -15.447 -34.318 1.00 0.00 H new ATOM 0 HD3 PRO A 71 34.030 -14.123 -33.582 1.00 0.00 H new ATOM 1107 N GLU A 72 33.325 -18.840 -33.894 1.00 0.00 N ATOM 1108 CA GLU A 72 33.302 -20.289 -34.135 1.00 0.00 C ATOM 1109 C GLU A 72 34.298 -21.148 -33.333 1.00 0.00 C ATOM 1110 O GLU A 72 34.009 -22.306 -33.033 1.00 0.00 O ATOM 1111 CB GLU A 72 33.317 -20.622 -35.632 1.00 0.00 C ATOM 1112 CG GLU A 72 34.659 -20.291 -36.306 1.00 0.00 C ATOM 1113 CD GLU A 72 34.759 -18.812 -36.660 1.00 0.00 C ATOM 1114 OE1 GLU A 72 34.282 -18.420 -37.747 1.00 0.00 O ATOM 1115 OE2 GLU A 72 35.314 -18.036 -35.853 1.00 0.00 O ATOM 0 H GLU A 72 34.045 -18.319 -34.395 1.00 0.00 H new ATOM 0 HA GLU A 72 32.341 -20.591 -33.718 1.00 0.00 H new ATOM 0 HB2 GLU A 72 33.101 -21.682 -35.765 1.00 0.00 H new ATOM 0 HB3 GLU A 72 32.520 -20.069 -36.130 1.00 0.00 H new ATOM 0 HG2 GLU A 72 35.478 -20.563 -35.640 1.00 0.00 H new ATOM 0 HG3 GLU A 72 34.771 -20.890 -37.210 1.00 0.00 H new ATOM 1122 N GLU A 73 35.476 -20.616 -33.000 1.00 0.00 N ATOM 1123 CA GLU A 73 36.468 -21.435 -32.279 1.00 0.00 C ATOM 1124 C GLU A 73 35.961 -22.021 -30.952 1.00 0.00 C ATOM 1125 O GLU A 73 36.360 -23.108 -30.540 1.00 0.00 O ATOM 1126 CB GLU A 73 37.797 -20.671 -32.123 1.00 0.00 C ATOM 1127 CG GLU A 73 38.799 -21.315 -31.138 1.00 0.00 C ATOM 1128 CD GLU A 73 40.194 -20.726 -31.337 1.00 0.00 C ATOM 1129 OE1 GLU A 73 40.312 -19.493 -31.519 1.00 0.00 O ATOM 1130 OE2 GLU A 73 41.182 -21.491 -31.308 1.00 0.00 O ATOM 0 H GLU A 73 35.765 -19.660 -33.205 1.00 0.00 H new ATOM 0 HA GLU A 73 36.651 -22.311 -32.901 1.00 0.00 H new ATOM 0 HB2 GLU A 73 38.271 -20.590 -33.101 1.00 0.00 H new ATOM 0 HB3 GLU A 73 37.580 -19.656 -31.789 1.00 0.00 H new ATOM 0 HG2 GLU A 73 38.469 -21.148 -30.113 1.00 0.00 H new ATOM 0 HG3 GLU A 73 38.827 -22.394 -31.292 1.00 0.00 H new ATOM 1137 N TRP A 74 35.048 -21.318 -30.300 1.00 0.00 N ATOM 1138 CA TRP A 74 34.523 -21.826 -29.030 1.00 0.00 C ATOM 1139 C TRP A 74 33.640 -23.082 -29.203 1.00 0.00 C ATOM 1140 O TRP A 74 33.869 -24.098 -28.540 1.00 0.00 O ATOM 1141 CB TRP A 74 33.911 -20.647 -28.229 1.00 0.00 C ATOM 1142 CG TRP A 74 33.751 -20.815 -26.719 1.00 0.00 C ATOM 1143 CD1 TRP A 74 32.559 -20.280 -26.228 1.00 0.00 C ATOM 1144 CD2 TRP A 74 34.747 -20.307 -25.913 1.00 0.00 C ATOM 1145 NE1 TRP A 74 32.799 -19.244 -25.313 1.00 0.00 N ATOM 1146 CE2 TRP A 74 34.168 -19.328 -25.084 1.00 0.00 C ATOM 1147 CE3 TRP A 74 35.724 -21.121 -25.398 1.00 0.00 C ATOM 1148 CZ2 TRP A 74 34.650 -19.142 -23.831 1.00 0.00 C ATOM 1149 CZ3 TRP A 74 36.122 -20.949 -24.108 1.00 0.00 C ATOM 1150 CH2 TRP A 74 35.539 -20.020 -23.325 1.00 0.00 C ATOM 0 H TRP A 74 34.663 -20.426 -30.609 1.00 0.00 H new ATOM 0 HA TRP A 74 35.333 -22.217 -28.414 1.00 0.00 H new ATOM 0 HB2 TRP A 74 34.530 -19.767 -28.404 1.00 0.00 H new ATOM 0 HB3 TRP A 74 32.928 -20.433 -28.648 1.00 0.00 H new ATOM 0 HD1 TRP A 74 31.576 -20.621 -26.516 1.00 0.00 H new ATOM 0 HE1 TRP A 74 32.130 -18.587 -24.912 1.00 0.00 H new ATOM 0 HE3 TRP A 74 36.172 -21.890 -26.010 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 34.324 -18.297 -23.243 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 36.914 -21.564 -23.707 1.00 0.00 H new ATOM 0 HH2 TRP A 74 35.788 -19.978 -22.275 1.00 0.00 H new ATOM 1161 N LEU A 75 32.699 -23.086 -30.159 1.00 0.00 N ATOM 1162 CA LEU A 75 31.938 -24.333 -30.382 1.00 0.00 C ATOM 1163 C LEU A 75 32.609 -25.340 -31.327 1.00 0.00 C ATOM 1164 O LEU A 75 32.304 -26.529 -31.260 1.00 0.00 O ATOM 1165 CB LEU A 75 30.470 -24.154 -30.789 1.00 0.00 C ATOM 1166 CG LEU A 75 29.525 -24.792 -29.753 1.00 0.00 C ATOM 1167 CD1 LEU A 75 28.103 -24.592 -30.170 1.00 0.00 C ATOM 1168 CD2 LEU A 75 29.642 -26.316 -29.672 1.00 0.00 C ATOM 0 H LEU A 75 32.454 -22.297 -30.758 1.00 0.00 H new ATOM 0 HA LEU A 75 31.945 -24.753 -29.376 1.00 0.00 H new ATOM 0 HB2 LEU A 75 30.244 -23.092 -30.887 1.00 0.00 H new ATOM 0 HB3 LEU A 75 30.303 -24.607 -31.766 1.00 0.00 H new ATOM 0 HG LEU A 75 29.799 -24.321 -28.809 1.00 0.00 H new ATOM 0 HD11 LEU A 75 27.440 -25.046 -29.433 1.00 0.00 H new ATOM 0 HD12 LEU A 75 27.891 -23.525 -30.240 1.00 0.00 H new ATOM 0 HD13 LEU A 75 27.939 -25.059 -31.141 1.00 0.00 H new ATOM 0 HD21 LEU A 75 28.947 -26.695 -28.922 1.00 0.00 H new ATOM 0 HD22 LEU A 75 29.402 -26.751 -30.642 1.00 0.00 H new ATOM 0 HD23 LEU A 75 30.660 -26.588 -29.394 1.00 0.00 H new ATOM 1180 N THR A 76 33.489 -24.923 -32.242 1.00 0.00 N ATOM 1181 CA THR A 76 34.224 -25.943 -32.992 1.00 0.00 C ATOM 1182 C THR A 76 35.248 -26.639 -32.111 1.00 0.00 C ATOM 1183 O THR A 76 35.436 -27.851 -32.193 1.00 0.00 O ATOM 1184 CB THR A 76 34.875 -25.470 -34.289 1.00 0.00 C ATOM 1185 OG1 THR A 76 33.883 -24.934 -35.154 1.00 0.00 O ATOM 1186 CG2 THR A 76 35.956 -24.421 -34.045 1.00 0.00 C ATOM 0 H THR A 76 33.701 -23.952 -32.472 1.00 0.00 H new ATOM 0 HA THR A 76 33.454 -26.649 -33.304 1.00 0.00 H new ATOM 0 HB THR A 76 35.352 -26.335 -34.749 1.00 0.00 H new ATOM 0 HG1 THR A 76 34.304 -24.629 -35.985 1.00 0.00 H new ATOM 0 HG21 THR A 76 36.389 -24.116 -34.998 1.00 0.00 H new ATOM 0 HG22 THR A 76 35.517 -23.554 -33.552 1.00 0.00 H new ATOM 0 HG23 THR A 76 36.736 -24.843 -33.411 1.00 0.00 H new ATOM 1194 N LEU A 77 35.929 -25.878 -31.262 1.00 0.00 N ATOM 1195 CA LEU A 77 36.811 -26.522 -30.304 1.00 0.00 C ATOM 1196 C LEU A 77 36.053 -27.450 -29.346 1.00 0.00 C ATOM 1197 O LEU A 77 36.487 -28.569 -29.073 1.00 0.00 O ATOM 1198 CB LEU A 77 37.670 -25.509 -29.552 1.00 0.00 C ATOM 1199 CG LEU A 77 38.697 -26.218 -28.672 1.00 0.00 C ATOM 1200 CD1 LEU A 77 40.033 -25.510 -28.744 1.00 0.00 C ATOM 1201 CD2 LEU A 77 38.241 -26.208 -27.229 1.00 0.00 C ATOM 0 H LEU A 77 35.891 -24.860 -31.217 1.00 0.00 H new ATOM 0 HA LEU A 77 37.488 -27.153 -30.880 1.00 0.00 H new ATOM 0 HB2 LEU A 77 38.180 -24.859 -30.263 1.00 0.00 H new ATOM 0 HB3 LEU A 77 37.035 -24.872 -28.937 1.00 0.00 H new ATOM 0 HG LEU A 77 38.797 -27.242 -29.032 1.00 0.00 H new ATOM 0 HD11 LEU A 77 40.754 -26.028 -28.111 1.00 0.00 H new ATOM 0 HD12 LEU A 77 40.389 -25.509 -29.774 1.00 0.00 H new ATOM 0 HD13 LEU A 77 39.919 -24.482 -28.399 1.00 0.00 H new ATOM 0 HD21 LEU A 77 38.981 -26.716 -26.610 1.00 0.00 H new ATOM 0 HD22 LEU A 77 38.130 -25.178 -26.890 1.00 0.00 H new ATOM 0 HD23 LEU A 77 37.284 -26.723 -27.146 1.00 0.00 H new ATOM 1213 N CYS A 78 34.892 -27.010 -28.858 1.00 0.00 N ATOM 1214 CA CYS A 78 34.130 -27.893 -27.958 1.00 0.00 C ATOM 1215 C CYS A 78 33.473 -29.037 -28.757 1.00 0.00 C ATOM 1216 O CYS A 78 33.424 -30.170 -28.279 1.00 0.00 O ATOM 1217 CB CYS A 78 33.043 -26.969 -27.390 1.00 0.00 C ATOM 1218 SG CYS A 78 33.584 -26.355 -25.765 1.00 0.00 S ATOM 0 H CYS A 78 34.472 -26.101 -29.052 1.00 0.00 H new ATOM 0 HA CYS A 78 34.752 -28.356 -27.192 1.00 0.00 H new ATOM 0 HB2 CYS A 78 32.865 -26.135 -28.068 1.00 0.00 H new ATOM 0 HB3 CYS A 78 32.101 -27.509 -27.295 1.00 0.00 H new ATOM 0 HG CYS A 78 32.861 -25.329 -25.426 1.00 0.00 H new ATOM 1224 N SER A 79 32.962 -28.784 -29.966 1.00 0.00 N ATOM 1225 CA SER A 79 32.402 -29.901 -30.744 1.00 0.00 C ATOM 1226 C SER A 79 33.469 -30.913 -31.192 1.00 0.00 C ATOM 1227 O SER A 79 33.271 -32.124 -31.105 1.00 0.00 O ATOM 1228 CB SER A 79 31.538 -29.441 -31.922 1.00 0.00 C ATOM 1229 OG SER A 79 32.275 -28.561 -32.756 1.00 0.00 O ATOM 0 H SER A 79 32.922 -27.868 -30.412 1.00 0.00 H new ATOM 0 HA SER A 79 31.739 -30.422 -30.053 1.00 0.00 H new ATOM 0 HB2 SER A 79 31.205 -30.305 -32.497 1.00 0.00 H new ATOM 0 HB3 SER A 79 30.643 -28.940 -31.552 1.00 0.00 H new ATOM 0 HG SER A 79 32.076 -27.634 -32.509 1.00 0.00 H new ATOM 1235 N LYS A 80 34.618 -30.422 -31.651 1.00 0.00 N ATOM 1236 CA LYS A 80 35.707 -31.340 -32.006 1.00 0.00 C ATOM 1237 C LYS A 80 36.264 -32.113 -30.797 1.00 0.00 C ATOM 1238 O LYS A 80 36.619 -33.287 -30.904 1.00 0.00 O ATOM 1239 CB LYS A 80 36.846 -30.648 -32.778 1.00 0.00 C ATOM 1240 CG LYS A 80 36.670 -30.771 -34.300 1.00 0.00 C ATOM 1241 CD LYS A 80 35.589 -29.820 -34.834 1.00 0.00 C ATOM 1242 CE LYS A 80 34.580 -30.564 -35.716 1.00 0.00 C ATOM 1243 NZ LYS A 80 35.167 -30.867 -37.035 1.00 0.00 N ATOM 0 H LYS A 80 34.820 -29.431 -31.784 1.00 0.00 H new ATOM 0 HA LYS A 80 35.250 -32.069 -32.675 1.00 0.00 H new ATOM 0 HB2 LYS A 80 36.883 -29.594 -32.502 1.00 0.00 H new ATOM 0 HB3 LYS A 80 37.800 -31.087 -32.487 1.00 0.00 H new ATOM 0 HG2 LYS A 80 37.618 -30.555 -34.793 1.00 0.00 H new ATOM 0 HG3 LYS A 80 36.406 -31.798 -34.552 1.00 0.00 H new ATOM 0 HD2 LYS A 80 35.069 -29.351 -33.999 1.00 0.00 H new ATOM 0 HD3 LYS A 80 36.057 -29.020 -35.408 1.00 0.00 H new ATOM 0 HE2 LYS A 80 34.274 -31.489 -35.227 1.00 0.00 H new ATOM 0 HE3 LYS A 80 33.683 -29.958 -35.842 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 34.469 -31.371 -37.618 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 35.437 -29.980 -37.507 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 36.010 -31.464 -36.911 1.00 0.00 H new ATOM 1257 N TRP A 81 36.343 -31.465 -29.639 1.00 0.00 N ATOM 1258 CA TRP A 81 36.778 -32.191 -28.438 1.00 0.00 C ATOM 1259 C TRP A 81 35.746 -33.214 -27.947 1.00 0.00 C ATOM 1260 O TRP A 81 36.082 -34.328 -27.547 1.00 0.00 O ATOM 1261 CB TRP A 81 37.162 -31.259 -27.272 1.00 0.00 C ATOM 1262 CG TRP A 81 38.639 -31.319 -27.006 1.00 0.00 C ATOM 1263 CD1 TRP A 81 39.585 -30.601 -27.717 1.00 0.00 C ATOM 1264 CD2 TRP A 81 39.230 -32.434 -26.521 1.00 0.00 C ATOM 1265 NE1 TRP A 81 40.850 -31.212 -27.587 1.00 0.00 N ATOM 1266 CE2 TRP A 81 40.581 -32.375 -26.840 1.00 0.00 C ATOM 1267 CE3 TRP A 81 38.815 -33.026 -25.368 1.00 0.00 C ATOM 1268 CZ2 TRP A 81 41.484 -32.889 -25.967 1.00 0.00 C ATOM 1269 CZ3 TRP A 81 39.720 -33.644 -24.578 1.00 0.00 C ATOM 1270 CH2 TRP A 81 41.045 -33.548 -24.857 1.00 0.00 C ATOM 0 H TRP A 81 36.123 -30.479 -29.501 1.00 0.00 H new ATOM 0 HA TRP A 81 37.671 -32.727 -28.760 1.00 0.00 H new ATOM 0 HB2 TRP A 81 36.872 -30.235 -27.508 1.00 0.00 H new ATOM 0 HB3 TRP A 81 36.614 -31.547 -26.375 1.00 0.00 H new ATOM 0 HD1 TRP A 81 39.384 -29.706 -28.287 1.00 0.00 H new ATOM 0 HE1 TRP A 81 41.747 -30.888 -27.949 1.00 0.00 H new ATOM 0 HE3 TRP A 81 37.772 -33.002 -25.087 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 42.542 -32.777 -26.150 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 39.389 -34.215 -23.723 1.00 0.00 H new ATOM 0 HH2 TRP A 81 41.763 -34.001 -24.189 1.00 0.00 H new ATOM 1281 N VAL A 82 34.483 -32.819 -27.964 1.00 0.00 N ATOM 1282 CA VAL A 82 33.431 -33.720 -27.461 1.00 0.00 C ATOM 1283 C VAL A 82 33.129 -34.878 -28.431 1.00 0.00 C ATOM 1284 O VAL A 82 33.349 -36.047 -28.114 1.00 0.00 O ATOM 1285 CB VAL A 82 32.150 -32.965 -27.037 1.00 0.00 C ATOM 1286 CG1 VAL A 82 31.043 -33.938 -26.609 1.00 0.00 C ATOM 1287 CG2 VAL A 82 32.448 -32.020 -25.867 1.00 0.00 C ATOM 0 H VAL A 82 34.157 -31.915 -28.306 1.00 0.00 H new ATOM 0 HA VAL A 82 33.835 -34.172 -26.555 1.00 0.00 H new ATOM 0 HB VAL A 82 31.810 -32.395 -27.902 1.00 0.00 H new ATOM 0 HG11 VAL A 82 30.157 -33.375 -26.317 1.00 0.00 H new ATOM 0 HG12 VAL A 82 30.796 -34.597 -27.441 1.00 0.00 H new ATOM 0 HG13 VAL A 82 31.389 -34.534 -25.764 1.00 0.00 H new ATOM 0 HG21 VAL A 82 31.536 -31.496 -25.581 1.00 0.00 H new ATOM 0 HG22 VAL A 82 32.817 -32.596 -25.019 1.00 0.00 H new ATOM 0 HG23 VAL A 82 33.203 -31.294 -26.169 1.00 0.00 H new