USER MOD reduce.3.24.130724 H: found=0, std=0, add=493, rem=0, adj=19 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 -155:sc= -6.46! USER MOD Set 1.2: A 78 CYS SG : rot -147:sc= -1.49! USER MOD Single : A 13 LYS NZ :NH3+ 153:sc= 0.131 (180deg=0.0278) USER MOD Single : A 17 MET CE :methyl 172:sc= -0.0872 (180deg=-0.25) USER MOD Single : A 18 LYS NZ :NH3+ 168:sc= 1.27 (180deg=1.04) USER MOD Single : A 29 ASN : amide:sc= -0.0769 X(o=-0.077,f=-0.017) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot -62:sc= 0.106 USER MOD Single : A 37 MET CE :methyl 142:sc= -1.46 (180deg=-5.29!) USER MOD Single : A 39 MET CE :methyl -179:sc= -0.631 (180deg=-0.631) USER MOD Single : A 41 THR OG1 : rot 73:sc= 1.27 USER MOD Single : A 42 LYS NZ :NH3+ -159:sc= 0.635 (180deg=0.481) USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 THR OG1 : rot 180:sc= -0.319 USER MOD Single : A 47 TYR OH : rot -98:sc= 1.05 USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ -147:sc= 0.208 (180deg=-0.712) USER MOD Single : A 52 THR OG1 : rot 110:sc= 0.071 USER MOD Single : A 56 MET CE :methyl 176:sc= 0 (180deg=-0.00997) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 ASN : amide:sc= -5.55! C(o=-5.5!,f=-7!) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot -56:sc= 1.25 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 158 N GLU A 12 26.406 -30.564 -23.828 1.00 0.00 N ATOM 159 CA GLU A 12 27.671 -29.813 -23.701 1.00 0.00 C ATOM 160 C GLU A 12 27.946 -28.860 -24.875 1.00 0.00 C ATOM 161 O GLU A 12 28.589 -27.821 -24.724 1.00 0.00 O ATOM 162 CB GLU A 12 28.871 -30.743 -23.475 1.00 0.00 C ATOM 163 CG GLU A 12 29.216 -30.826 -21.988 1.00 0.00 C ATOM 164 CD GLU A 12 30.394 -31.752 -21.730 1.00 0.00 C ATOM 165 OE1 GLU A 12 30.512 -32.795 -22.410 1.00 0.00 O ATOM 166 OE2 GLU A 12 31.210 -31.440 -20.838 1.00 0.00 O ATOM 0 HA GLU A 12 27.540 -29.190 -22.816 1.00 0.00 H new ATOM 0 HB2 GLU A 12 28.643 -31.738 -23.857 1.00 0.00 H new ATOM 0 HB3 GLU A 12 29.732 -30.376 -24.034 1.00 0.00 H new ATOM 0 HG2 GLU A 12 29.449 -29.829 -21.613 1.00 0.00 H new ATOM 0 HG3 GLU A 12 28.347 -31.180 -21.433 1.00 0.00 H new ATOM 173 N LYS A 13 27.447 -29.215 -26.054 1.00 0.00 N ATOM 174 CA LYS A 13 27.509 -28.273 -27.168 1.00 0.00 C ATOM 175 C LYS A 13 26.644 -27.020 -26.959 1.00 0.00 C ATOM 176 O LYS A 13 27.067 -25.901 -27.257 1.00 0.00 O ATOM 177 CB LYS A 13 27.226 -28.930 -28.530 1.00 0.00 C ATOM 178 CG LYS A 13 25.739 -29.248 -28.754 1.00 0.00 C ATOM 179 CD LYS A 13 25.026 -28.087 -29.462 1.00 0.00 C ATOM 180 CE LYS A 13 23.511 -28.309 -29.492 1.00 0.00 C ATOM 181 NZ LYS A 13 22.809 -27.010 -29.500 1.00 0.00 N ATOM 0 H LYS A 13 27.010 -30.113 -26.261 1.00 0.00 H new ATOM 0 HA LYS A 13 28.545 -27.936 -27.186 1.00 0.00 H new ATOM 0 HB2 LYS A 13 27.573 -28.268 -29.324 1.00 0.00 H new ATOM 0 HB3 LYS A 13 27.803 -29.851 -28.608 1.00 0.00 H new ATOM 0 HG2 LYS A 13 25.644 -30.155 -29.351 1.00 0.00 H new ATOM 0 HG3 LYS A 13 25.258 -29.444 -27.796 1.00 0.00 H new ATOM 0 HD2 LYS A 13 25.250 -27.151 -28.949 1.00 0.00 H new ATOM 0 HD3 LYS A 13 25.403 -27.991 -30.480 1.00 0.00 H new ATOM 0 HE2 LYS A 13 23.237 -28.885 -30.376 1.00 0.00 H new ATOM 0 HE3 LYS A 13 23.204 -28.892 -28.624 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 21.884 -27.118 -29.963 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 22.670 -26.684 -28.522 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 23.377 -26.311 -30.020 1.00 0.00 H new ATOM 195 N ASP A 14 25.403 -27.201 -26.492 1.00 0.00 N ATOM 196 CA ASP A 14 24.594 -26.021 -26.185 1.00 0.00 C ATOM 197 C ASP A 14 25.240 -25.175 -25.085 1.00 0.00 C ATOM 198 O ASP A 14 25.254 -23.950 -25.151 1.00 0.00 O ATOM 199 CB ASP A 14 23.136 -26.355 -25.845 1.00 0.00 C ATOM 200 CG ASP A 14 22.211 -25.188 -26.159 1.00 0.00 C ATOM 201 OD1 ASP A 14 21.819 -25.037 -27.337 1.00 0.00 O ATOM 202 OD2 ASP A 14 21.873 -24.418 -25.234 1.00 0.00 O ATOM 0 H ASP A 14 24.957 -28.103 -26.326 1.00 0.00 H new ATOM 0 HA ASP A 14 24.563 -25.430 -27.100 1.00 0.00 H new ATOM 0 HB2 ASP A 14 22.821 -27.233 -26.409 1.00 0.00 H new ATOM 0 HB3 ASP A 14 23.057 -26.610 -24.788 1.00 0.00 H new ATOM 207 N GLU A 15 25.812 -25.841 -24.085 1.00 0.00 N ATOM 208 CA GLU A 15 26.636 -25.128 -23.100 1.00 0.00 C ATOM 209 C GLU A 15 27.742 -24.286 -23.734 1.00 0.00 C ATOM 210 O GLU A 15 27.993 -23.150 -23.335 1.00 0.00 O ATOM 211 CB GLU A 15 27.264 -26.097 -22.080 1.00 0.00 C ATOM 212 CG GLU A 15 26.317 -26.385 -20.906 1.00 0.00 C ATOM 213 CD GLU A 15 26.181 -25.189 -19.971 1.00 0.00 C ATOM 214 OE1 GLU A 15 25.288 -24.345 -20.198 1.00 0.00 O ATOM 215 OE2 GLU A 15 26.961 -25.095 -18.999 1.00 0.00 O ATOM 0 H GLU A 15 25.727 -26.846 -23.933 1.00 0.00 H new ATOM 0 HA GLU A 15 25.950 -24.451 -22.591 1.00 0.00 H new ATOM 0 HB2 GLU A 15 27.520 -27.032 -22.578 1.00 0.00 H new ATOM 0 HB3 GLU A 15 28.194 -25.673 -21.701 1.00 0.00 H new ATOM 0 HG2 GLU A 15 25.334 -26.656 -21.292 1.00 0.00 H new ATOM 0 HG3 GLU A 15 26.687 -27.243 -20.345 1.00 0.00 H new ATOM 222 N CYS A 16 28.410 -24.846 -24.731 1.00 0.00 N ATOM 223 CA CYS A 16 29.492 -24.090 -25.366 1.00 0.00 C ATOM 224 C CYS A 16 29.017 -22.909 -26.231 1.00 0.00 C ATOM 225 O CYS A 16 29.714 -21.902 -26.331 1.00 0.00 O ATOM 226 CB CYS A 16 30.489 -24.982 -26.096 1.00 0.00 C ATOM 227 SG CYS A 16 30.968 -26.360 -25.002 1.00 0.00 S ATOM 0 H CYS A 16 28.238 -25.778 -25.109 1.00 0.00 H new ATOM 0 HA CYS A 16 30.030 -23.633 -24.535 1.00 0.00 H new ATOM 0 HB2 CYS A 16 30.047 -25.367 -27.015 1.00 0.00 H new ATOM 0 HB3 CYS A 16 31.369 -24.406 -26.383 1.00 0.00 H new ATOM 0 HG CYS A 16 32.140 -26.803 -25.349 1.00 0.00 H new ATOM 233 N MET A 17 27.845 -22.999 -26.868 1.00 0.00 N ATOM 234 CA MET A 17 27.313 -21.780 -27.525 1.00 0.00 C ATOM 235 C MET A 17 26.678 -20.814 -26.502 1.00 0.00 C ATOM 236 O MET A 17 26.778 -19.593 -26.626 1.00 0.00 O ATOM 237 CB MET A 17 26.345 -21.991 -28.703 1.00 0.00 C ATOM 238 CG MET A 17 26.500 -20.863 -29.748 1.00 0.00 C ATOM 239 SD MET A 17 27.258 -21.485 -31.274 1.00 0.00 S ATOM 240 CE MET A 17 28.789 -20.509 -31.350 1.00 0.00 C ATOM 0 H MET A 17 27.272 -23.839 -26.947 1.00 0.00 H new ATOM 0 HA MET A 17 28.207 -21.343 -27.971 1.00 0.00 H new ATOM 0 HB2 MET A 17 26.539 -22.956 -29.171 1.00 0.00 H new ATOM 0 HB3 MET A 17 25.319 -22.015 -28.337 1.00 0.00 H new ATOM 0 HG2 MET A 17 25.523 -20.434 -29.972 1.00 0.00 H new ATOM 0 HG3 MET A 17 27.113 -20.062 -29.335 1.00 0.00 H new ATOM 0 HE1 MET A 17 29.420 -20.884 -32.156 1.00 0.00 H new ATOM 0 HE2 MET A 17 28.545 -19.463 -31.537 1.00 0.00 H new ATOM 0 HE3 MET A 17 29.322 -20.593 -30.403 1.00 0.00 H new ATOM 250 N LYS A 18 25.991 -21.362 -25.497 1.00 0.00 N ATOM 251 CA LYS A 18 25.475 -20.526 -24.406 1.00 0.00 C ATOM 252 C LYS A 18 26.577 -19.742 -23.684 1.00 0.00 C ATOM 253 O LYS A 18 26.465 -18.544 -23.418 1.00 0.00 O ATOM 254 CB LYS A 18 24.722 -21.417 -23.405 1.00 0.00 C ATOM 255 CG LYS A 18 23.451 -20.783 -22.831 1.00 0.00 C ATOM 256 CD LYS A 18 22.296 -21.788 -22.916 1.00 0.00 C ATOM 257 CE LYS A 18 22.528 -22.995 -21.995 1.00 0.00 C ATOM 258 NZ LYS A 18 21.893 -24.200 -22.567 1.00 0.00 N ATOM 0 H LYS A 18 25.782 -22.357 -25.414 1.00 0.00 H new ATOM 0 HA LYS A 18 24.803 -19.788 -24.845 1.00 0.00 H new ATOM 0 HB2 LYS A 18 24.457 -22.353 -23.897 1.00 0.00 H new ATOM 0 HB3 LYS A 18 25.393 -21.667 -22.583 1.00 0.00 H new ATOM 0 HG2 LYS A 18 23.615 -20.488 -21.795 1.00 0.00 H new ATOM 0 HG3 LYS A 18 23.201 -19.878 -23.385 1.00 0.00 H new ATOM 0 HD2 LYS A 18 21.363 -21.295 -22.643 1.00 0.00 H new ATOM 0 HD3 LYS A 18 22.186 -22.131 -23.945 1.00 0.00 H new ATOM 0 HE2 LYS A 18 23.597 -23.164 -21.867 1.00 0.00 H new ATOM 0 HE3 LYS A 18 22.116 -22.792 -21.006 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 22.221 -25.042 -22.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 20.860 -24.122 -22.480 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 22.151 -24.285 -23.571 1.00 0.00 H new ATOM 272 N ILE A 19 27.650 -20.445 -23.349 1.00 0.00 N ATOM 273 CA ILE A 19 28.832 -19.761 -22.819 1.00 0.00 C ATOM 274 C ILE A 19 29.508 -18.868 -23.866 1.00 0.00 C ATOM 275 O ILE A 19 30.083 -17.830 -23.550 1.00 0.00 O ATOM 276 CB ILE A 19 29.790 -20.760 -22.167 1.00 0.00 C ATOM 277 CG1 ILE A 19 30.546 -20.123 -20.990 1.00 0.00 C ATOM 278 CG2 ILE A 19 30.732 -21.408 -23.186 1.00 0.00 C ATOM 279 CD1 ILE A 19 31.910 -19.606 -21.407 1.00 0.00 C ATOM 0 H ILE A 19 27.732 -21.459 -23.429 1.00 0.00 H new ATOM 0 HA ILE A 19 28.502 -19.080 -22.035 1.00 0.00 H new ATOM 0 HB ILE A 19 29.186 -21.570 -21.758 1.00 0.00 H new ATOM 0 HG12 ILE A 19 29.956 -19.303 -20.581 1.00 0.00 H new ATOM 0 HG13 ILE A 19 30.664 -20.858 -20.194 1.00 0.00 H new ATOM 0 HG21 ILE A 19 31.393 -22.109 -22.676 1.00 0.00 H new ATOM 0 HG22 ILE A 19 30.147 -21.941 -23.935 1.00 0.00 H new ATOM 0 HG23 ILE A 19 31.328 -20.636 -23.673 1.00 0.00 H new ATOM 0 HD11 ILE A 19 32.410 -19.164 -20.546 1.00 0.00 H new ATOM 0 HD12 ILE A 19 32.510 -20.431 -21.791 1.00 0.00 H new ATOM 0 HD13 ILE A 19 31.791 -18.851 -22.184 1.00 0.00 H new ATOM 291 N PHE A 20 29.431 -19.274 -25.128 1.00 0.00 N ATOM 292 CA PHE A 20 29.825 -18.358 -26.202 1.00 0.00 C ATOM 293 C PHE A 20 28.922 -17.103 -26.263 1.00 0.00 C ATOM 294 O PHE A 20 29.176 -16.167 -27.013 1.00 0.00 O ATOM 295 CB PHE A 20 29.849 -19.068 -27.568 1.00 0.00 C ATOM 296 CG PHE A 20 30.640 -18.306 -28.612 1.00 0.00 C ATOM 297 CD1 PHE A 20 31.965 -18.060 -28.445 1.00 0.00 C ATOM 298 CD2 PHE A 20 29.978 -17.720 -29.635 1.00 0.00 C ATOM 299 CE1 PHE A 20 32.541 -17.024 -29.103 1.00 0.00 C ATOM 300 CE2 PHE A 20 30.532 -16.654 -30.265 1.00 0.00 C ATOM 301 CZ PHE A 20 31.816 -16.309 -29.998 1.00 0.00 C ATOM 0 H PHE A 20 29.113 -20.195 -25.430 1.00 0.00 H new ATOM 0 HA PHE A 20 30.836 -18.026 -25.968 1.00 0.00 H new ATOM 0 HB2 PHE A 20 30.278 -20.063 -27.448 1.00 0.00 H new ATOM 0 HB3 PHE A 20 28.826 -19.203 -27.920 1.00 0.00 H new ATOM 0 HD1 PHE A 20 32.556 -18.685 -27.792 1.00 0.00 H new ATOM 0 HD2 PHE A 20 29.016 -18.098 -29.948 1.00 0.00 H new ATOM 0 HE1 PHE A 20 33.574 -16.769 -28.915 1.00 0.00 H new ATOM 0 HE2 PHE A 20 29.953 -16.083 -30.976 1.00 0.00 H new ATOM 0 HZ PHE A 20 32.262 -15.463 -30.499 1.00 0.00 H new ATOM 311 N ASP A 21 27.806 -17.126 -25.540 1.00 0.00 N ATOM 312 CA ASP A 21 27.012 -15.899 -25.398 1.00 0.00 C ATOM 313 C ASP A 21 27.357 -15.121 -24.116 1.00 0.00 C ATOM 314 O ASP A 21 27.456 -13.895 -24.124 1.00 0.00 O ATOM 315 CB ASP A 21 25.508 -16.173 -25.497 1.00 0.00 C ATOM 316 CG ASP A 21 24.746 -14.968 -26.040 1.00 0.00 C ATOM 317 OD1 ASP A 21 25.081 -14.490 -27.148 1.00 0.00 O ATOM 318 OD2 ASP A 21 23.812 -14.491 -25.362 1.00 0.00 O ATOM 0 H ASP A 21 27.437 -17.945 -25.058 1.00 0.00 H new ATOM 0 HA ASP A 21 27.284 -15.262 -26.239 1.00 0.00 H new ATOM 0 HB2 ASP A 21 25.337 -17.033 -26.145 1.00 0.00 H new ATOM 0 HB3 ASP A 21 25.121 -16.434 -24.512 1.00 0.00 H new ATOM 323 N ILE A 22 27.538 -15.827 -22.999 1.00 0.00 N ATOM 324 CA ILE A 22 28.012 -15.113 -21.785 1.00 0.00 C ATOM 325 C ILE A 22 29.424 -14.545 -22.013 1.00 0.00 C ATOM 326 O ILE A 22 29.666 -13.342 -21.911 1.00 0.00 O ATOM 327 CB ILE A 22 28.029 -15.882 -20.422 1.00 0.00 C ATOM 328 CG1 ILE A 22 26.645 -16.370 -19.954 1.00 0.00 C ATOM 329 CG2 ILE A 22 28.578 -14.948 -19.333 1.00 0.00 C ATOM 330 CD1 ILE A 22 26.796 -17.267 -18.717 1.00 0.00 C ATOM 0 H ILE A 22 27.379 -16.829 -22.896 1.00 0.00 H new ATOM 0 HA ILE A 22 27.242 -14.351 -21.666 1.00 0.00 H new ATOM 0 HB ILE A 22 28.650 -16.763 -20.582 1.00 0.00 H new ATOM 0 HG12 ILE A 22 26.009 -15.516 -19.719 1.00 0.00 H new ATOM 0 HG13 ILE A 22 26.154 -16.922 -20.756 1.00 0.00 H new ATOM 0 HG21 ILE A 22 28.595 -15.473 -18.378 1.00 0.00 H new ATOM 0 HG22 ILE A 22 29.590 -14.639 -19.595 1.00 0.00 H new ATOM 0 HG23 ILE A 22 27.939 -14.068 -19.252 1.00 0.00 H new ATOM 0 HD11 ILE A 22 25.813 -17.608 -18.392 1.00 0.00 H new ATOM 0 HD12 ILE A 22 27.415 -18.129 -18.966 1.00 0.00 H new ATOM 0 HD13 ILE A 22 27.268 -16.702 -17.913 1.00 0.00 H new ATOM 342 N PHE A 23 30.359 -15.435 -22.315 1.00 0.00 N ATOM 343 CA PHE A 23 31.760 -15.010 -22.449 1.00 0.00 C ATOM 344 C PHE A 23 32.045 -14.179 -23.690 1.00 0.00 C ATOM 345 O PHE A 23 32.947 -13.340 -23.698 1.00 0.00 O ATOM 346 CB PHE A 23 32.710 -16.213 -22.422 1.00 0.00 C ATOM 347 CG PHE A 23 32.994 -16.643 -20.996 1.00 0.00 C ATOM 348 CD1 PHE A 23 31.967 -16.683 -20.114 1.00 0.00 C ATOM 349 CD2 PHE A 23 34.248 -16.488 -20.520 1.00 0.00 C ATOM 350 CE1 PHE A 23 32.121 -16.123 -18.889 1.00 0.00 C ATOM 351 CE2 PHE A 23 34.427 -15.930 -19.296 1.00 0.00 C ATOM 352 CZ PHE A 23 33.352 -15.702 -18.495 1.00 0.00 C ATOM 0 H PHE A 23 30.189 -16.429 -22.469 1.00 0.00 H new ATOM 0 HA PHE A 23 31.938 -14.367 -21.587 1.00 0.00 H new ATOM 0 HB2 PHE A 23 32.270 -17.042 -22.976 1.00 0.00 H new ATOM 0 HB3 PHE A 23 33.644 -15.956 -22.922 1.00 0.00 H new ATOM 0 HD1 PHE A 23 31.035 -17.156 -20.384 1.00 0.00 H new ATOM 0 HD2 PHE A 23 35.098 -16.804 -21.106 1.00 0.00 H new ATOM 0 HE1 PHE A 23 31.272 -16.012 -18.231 1.00 0.00 H new ATOM 0 HE2 PHE A 23 35.419 -15.668 -18.959 1.00 0.00 H new ATOM 0 HZ PHE A 23 33.475 -15.190 -17.552 1.00 0.00 H new ATOM 362 N ASP A 24 31.287 -14.406 -24.756 1.00 0.00 N ATOM 363 CA ASP A 24 31.556 -13.624 -25.954 1.00 0.00 C ATOM 364 C ASP A 24 30.926 -12.207 -25.907 1.00 0.00 C ATOM 365 O ASP A 24 30.917 -11.486 -26.901 1.00 0.00 O ATOM 366 CB ASP A 24 31.123 -14.297 -27.260 1.00 0.00 C ATOM 367 CG ASP A 24 31.805 -13.687 -28.478 1.00 0.00 C ATOM 368 OD1 ASP A 24 33.051 -13.585 -28.489 1.00 0.00 O ATOM 369 OD2 ASP A 24 31.094 -13.321 -29.441 1.00 0.00 O ATOM 0 H ASP A 24 30.526 -15.082 -24.818 1.00 0.00 H new ATOM 0 HA ASP A 24 32.643 -13.545 -25.955 1.00 0.00 H new ATOM 0 HB2 ASP A 24 31.354 -15.361 -27.212 1.00 0.00 H new ATOM 0 HB3 ASP A 24 30.042 -14.210 -27.370 1.00 0.00 H new ATOM 437 N ASN A 29 33.010 -9.616 -28.968 1.00 0.00 N ATOM 438 CA ASN A 29 33.024 -10.594 -30.074 1.00 0.00 C ATOM 439 C ASN A 29 34.345 -11.352 -30.217 1.00 0.00 C ATOM 440 O ASN A 29 34.531 -12.120 -31.160 1.00 0.00 O ATOM 441 CB ASN A 29 32.573 -9.996 -31.423 1.00 0.00 C ATOM 442 CG ASN A 29 31.053 -9.992 -31.619 1.00 0.00 C ATOM 443 OD1 ASN A 29 30.453 -8.970 -31.945 1.00 0.00 O ATOM 444 ND2 ASN A 29 30.412 -11.138 -31.464 1.00 0.00 N ATOM 0 HA ASN A 29 32.276 -11.332 -29.783 1.00 0.00 H new ATOM 0 HB2 ASN A 29 32.943 -8.973 -31.498 1.00 0.00 H new ATOM 0 HB3 ASN A 29 33.033 -10.562 -32.233 1.00 0.00 H new ATOM 0 HD21 ASN A 29 29.404 -11.183 -31.615 1.00 0.00 H new ATOM 0 HD22 ASN A 29 30.925 -11.977 -31.193 1.00 0.00 H new ATOM 451 N ILE A 30 35.247 -11.182 -29.260 1.00 0.00 N ATOM 452 CA ILE A 30 36.500 -11.941 -29.308 1.00 0.00 C ATOM 453 C ILE A 30 36.950 -12.280 -27.876 1.00 0.00 C ATOM 454 O ILE A 30 37.575 -11.471 -27.190 1.00 0.00 O ATOM 455 CB ILE A 30 37.637 -11.245 -30.089 1.00 0.00 C ATOM 456 CG1 ILE A 30 37.751 -9.760 -29.670 1.00 0.00 C ATOM 457 CG2 ILE A 30 37.476 -11.342 -31.608 1.00 0.00 C ATOM 458 CD1 ILE A 30 38.865 -9.017 -30.415 1.00 0.00 C ATOM 0 H ILE A 30 35.147 -10.550 -28.465 1.00 0.00 H new ATOM 0 HA ILE A 30 36.288 -12.853 -29.866 1.00 0.00 H new ATOM 0 HB ILE A 30 38.553 -11.777 -29.831 1.00 0.00 H new ATOM 0 HG12 ILE A 30 36.800 -9.261 -29.856 1.00 0.00 H new ATOM 0 HG13 ILE A 30 37.937 -9.703 -28.597 1.00 0.00 H new ATOM 0 HG21 ILE A 30 38.308 -10.833 -32.095 1.00 0.00 H new ATOM 0 HG22 ILE A 30 37.467 -12.390 -31.907 1.00 0.00 H new ATOM 0 HG23 ILE A 30 36.539 -10.872 -31.905 1.00 0.00 H new ATOM 0 HD11 ILE A 30 38.898 -7.980 -30.080 1.00 0.00 H new ATOM 0 HD12 ILE A 30 39.822 -9.495 -30.209 1.00 0.00 H new ATOM 0 HD13 ILE A 30 38.668 -9.046 -31.487 1.00 0.00 H new ATOM 470 N ALA A 31 36.643 -13.488 -27.417 1.00 0.00 N ATOM 471 CA ALA A 31 36.964 -13.832 -26.018 1.00 0.00 C ATOM 472 C ALA A 31 38.391 -14.402 -25.849 1.00 0.00 C ATOM 473 O ALA A 31 38.747 -15.372 -26.510 1.00 0.00 O ATOM 474 CB ALA A 31 35.932 -14.797 -25.435 1.00 0.00 C ATOM 0 H ALA A 31 36.191 -14.225 -27.958 1.00 0.00 H new ATOM 0 HA ALA A 31 36.927 -12.896 -25.460 1.00 0.00 H new ATOM 0 HB1 ALA A 31 36.195 -15.032 -24.404 1.00 0.00 H new ATOM 0 HB2 ALA A 31 34.945 -14.334 -25.461 1.00 0.00 H new ATOM 0 HB3 ALA A 31 35.918 -15.714 -26.024 1.00 0.00 H new ATOM 480 N PRO A 32 39.204 -13.908 -24.904 1.00 0.00 N ATOM 481 CA PRO A 32 40.631 -14.278 -24.907 1.00 0.00 C ATOM 482 C PRO A 32 40.915 -15.568 -24.103 1.00 0.00 C ATOM 483 O PRO A 32 40.010 -16.201 -23.565 1.00 0.00 O ATOM 484 CB PRO A 32 41.315 -13.058 -24.275 1.00 0.00 C ATOM 485 CG PRO A 32 40.220 -12.242 -23.583 1.00 0.00 C ATOM 486 CD PRO A 32 38.906 -12.637 -24.248 1.00 0.00 C ATOM 0 HA PRO A 32 40.994 -14.505 -25.909 1.00 0.00 H new ATOM 0 HB2 PRO A 32 42.075 -13.370 -23.559 1.00 0.00 H new ATOM 0 HB3 PRO A 32 41.819 -12.461 -25.035 1.00 0.00 H new ATOM 0 HG2 PRO A 32 40.194 -12.454 -22.514 1.00 0.00 H new ATOM 0 HG3 PRO A 32 40.405 -11.173 -23.691 1.00 0.00 H new ATOM 0 HD2 PRO A 32 38.106 -12.745 -23.516 1.00 0.00 H new ATOM 0 HD3 PRO A 32 38.581 -11.884 -24.967 1.00 0.00 H new ATOM 494 N VAL A 33 42.192 -15.965 -24.020 1.00 0.00 N ATOM 495 CA VAL A 33 42.554 -17.131 -23.166 1.00 0.00 C ATOM 496 C VAL A 33 41.965 -17.065 -21.746 1.00 0.00 C ATOM 497 O VAL A 33 41.456 -18.054 -21.211 1.00 0.00 O ATOM 498 CB VAL A 33 44.078 -17.333 -23.029 1.00 0.00 C ATOM 499 CG1 VAL A 33 44.626 -18.173 -24.181 1.00 0.00 C ATOM 500 CG2 VAL A 33 44.839 -16.002 -22.968 1.00 0.00 C ATOM 0 H VAL A 33 42.972 -15.524 -24.508 1.00 0.00 H new ATOM 0 HA VAL A 33 42.115 -17.975 -23.698 1.00 0.00 H new ATOM 0 HB VAL A 33 44.234 -17.859 -22.087 1.00 0.00 H new ATOM 0 HG11 VAL A 33 45.702 -18.300 -24.059 1.00 0.00 H new ATOM 0 HG12 VAL A 33 44.143 -19.150 -24.180 1.00 0.00 H new ATOM 0 HG13 VAL A 33 44.425 -17.669 -25.126 1.00 0.00 H new ATOM 0 HG21 VAL A 33 45.907 -16.198 -22.872 1.00 0.00 H new ATOM 0 HG22 VAL A 33 44.655 -15.435 -23.881 1.00 0.00 H new ATOM 0 HG23 VAL A 33 44.497 -15.426 -22.108 1.00 0.00 H new ATOM 510 N SER A 34 42.072 -15.900 -21.114 1.00 0.00 N ATOM 511 CA SER A 34 41.508 -15.761 -19.762 1.00 0.00 C ATOM 512 C SER A 34 40.011 -16.122 -19.686 1.00 0.00 C ATOM 513 O SER A 34 39.527 -16.630 -18.676 1.00 0.00 O ATOM 514 CB SER A 34 41.758 -14.380 -19.160 1.00 0.00 C ATOM 515 OG SER A 34 41.082 -13.382 -19.915 1.00 0.00 O ATOM 0 H SER A 34 42.523 -15.066 -21.491 1.00 0.00 H new ATOM 0 HA SER A 34 42.046 -16.492 -19.159 1.00 0.00 H new ATOM 0 HB2 SER A 34 41.414 -14.359 -18.126 1.00 0.00 H new ATOM 0 HB3 SER A 34 42.828 -14.171 -19.144 1.00 0.00 H new ATOM 0 HG SER A 34 41.249 -12.502 -19.518 1.00 0.00 H new ATOM 521 N ASP A 35 39.273 -15.835 -20.759 1.00 0.00 N ATOM 522 CA ASP A 35 37.886 -16.325 -20.853 1.00 0.00 C ATOM 523 C ASP A 35 37.785 -17.856 -20.670 1.00 0.00 C ATOM 524 O ASP A 35 36.975 -18.375 -19.897 1.00 0.00 O ATOM 525 CB ASP A 35 37.198 -15.818 -22.147 1.00 0.00 C ATOM 526 CG ASP A 35 36.843 -16.922 -23.155 1.00 0.00 C ATOM 527 OD1 ASP A 35 37.762 -17.487 -23.787 1.00 0.00 O ATOM 528 OD2 ASP A 35 35.642 -17.220 -23.319 1.00 0.00 O ATOM 0 H ASP A 35 39.593 -15.284 -21.555 1.00 0.00 H new ATOM 0 HA ASP A 35 37.332 -15.900 -20.016 1.00 0.00 H new ATOM 0 HB2 ASP A 35 36.287 -15.286 -21.874 1.00 0.00 H new ATOM 0 HB3 ASP A 35 37.855 -15.097 -22.634 1.00 0.00 H new ATOM 533 N THR A 36 38.647 -18.566 -21.389 1.00 0.00 N ATOM 534 CA THR A 36 38.697 -20.026 -21.261 1.00 0.00 C ATOM 535 C THR A 36 39.071 -20.494 -19.838 1.00 0.00 C ATOM 536 O THR A 36 38.641 -21.550 -19.378 1.00 0.00 O ATOM 537 CB THR A 36 39.584 -20.591 -22.391 1.00 0.00 C ATOM 538 OG1 THR A 36 38.941 -20.334 -23.632 1.00 0.00 O ATOM 539 CG2 THR A 36 39.835 -22.092 -22.290 1.00 0.00 C ATOM 0 H THR A 36 39.310 -18.169 -22.055 1.00 0.00 H new ATOM 0 HA THR A 36 37.698 -20.443 -21.392 1.00 0.00 H new ATOM 0 HB THR A 36 40.553 -20.100 -22.307 1.00 0.00 H new ATOM 0 HG1 THR A 36 38.077 -20.796 -23.655 1.00 0.00 H new ATOM 0 HG21 THR A 36 40.466 -22.412 -23.119 1.00 0.00 H new ATOM 0 HG22 THR A 36 40.335 -22.315 -21.347 1.00 0.00 H new ATOM 0 HG23 THR A 36 38.884 -22.623 -22.331 1.00 0.00 H new ATOM 547 N MET A 37 39.846 -19.681 -19.121 1.00 0.00 N ATOM 548 CA MET A 37 40.118 -20.000 -17.706 1.00 0.00 C ATOM 549 C MET A 37 38.890 -19.770 -16.823 1.00 0.00 C ATOM 550 O MET A 37 38.519 -20.621 -16.012 1.00 0.00 O ATOM 551 CB MET A 37 41.295 -19.219 -17.084 1.00 0.00 C ATOM 552 CG MET A 37 42.526 -19.108 -17.987 1.00 0.00 C ATOM 553 SD MET A 37 43.227 -20.738 -18.273 1.00 0.00 S ATOM 554 CE MET A 37 42.461 -21.076 -19.858 1.00 0.00 C ATOM 0 H MET A 37 40.284 -18.829 -19.471 1.00 0.00 H new ATOM 0 HA MET A 37 40.389 -21.055 -17.732 1.00 0.00 H new ATOM 0 HB2 MET A 37 40.955 -18.215 -16.828 1.00 0.00 H new ATOM 0 HB3 MET A 37 41.585 -19.704 -16.152 1.00 0.00 H new ATOM 0 HG2 MET A 37 42.250 -18.650 -18.937 1.00 0.00 H new ATOM 0 HG3 MET A 37 43.270 -18.459 -17.524 1.00 0.00 H new ATOM 0 HE1 MET A 37 43.169 -21.600 -20.500 1.00 0.00 H new ATOM 0 HE2 MET A 37 41.577 -21.696 -19.710 1.00 0.00 H new ATOM 0 HE3 MET A 37 42.171 -20.137 -20.329 1.00 0.00 H new ATOM 564 N ASP A 38 38.290 -18.585 -16.941 1.00 0.00 N ATOM 565 CA ASP A 38 37.028 -18.327 -16.230 1.00 0.00 C ATOM 566 C ASP A 38 36.043 -19.486 -16.314 1.00 0.00 C ATOM 567 O ASP A 38 35.548 -19.993 -15.305 1.00 0.00 O ATOM 568 CB ASP A 38 36.289 -17.105 -16.775 1.00 0.00 C ATOM 569 CG ASP A 38 36.595 -15.843 -15.984 1.00 0.00 C ATOM 570 OD1 ASP A 38 35.948 -15.625 -14.936 1.00 0.00 O ATOM 571 OD2 ASP A 38 37.477 -15.063 -16.403 1.00 0.00 O ATOM 0 H ASP A 38 38.640 -17.808 -17.502 1.00 0.00 H new ATOM 0 HA ASP A 38 37.342 -18.169 -15.198 1.00 0.00 H new ATOM 0 HB2 ASP A 38 36.565 -16.952 -17.818 1.00 0.00 H new ATOM 0 HB3 ASP A 38 35.216 -17.293 -16.753 1.00 0.00 H new ATOM 576 N MET A 39 35.748 -19.898 -17.538 1.00 0.00 N ATOM 577 CA MET A 39 34.655 -20.849 -17.708 1.00 0.00 C ATOM 578 C MET A 39 35.051 -22.321 -17.789 1.00 0.00 C ATOM 579 O MET A 39 34.195 -23.196 -17.699 1.00 0.00 O ATOM 580 CB MET A 39 33.682 -20.360 -18.767 1.00 0.00 C ATOM 581 CG MET A 39 32.383 -19.855 -18.112 1.00 0.00 C ATOM 582 SD MET A 39 32.729 -18.437 -17.066 1.00 0.00 S ATOM 583 CE MET A 39 31.050 -18.110 -16.494 1.00 0.00 C ATOM 0 H MET A 39 36.223 -19.607 -18.393 1.00 0.00 H new ATOM 0 HA MET A 39 34.108 -20.863 -16.766 1.00 0.00 H new ATOM 0 HB2 MET A 39 34.139 -19.559 -19.347 1.00 0.00 H new ATOM 0 HB3 MET A 39 33.456 -21.168 -19.462 1.00 0.00 H new ATOM 0 HG2 MET A 39 31.661 -19.581 -18.882 1.00 0.00 H new ATOM 0 HG3 MET A 39 31.932 -20.651 -17.520 1.00 0.00 H new ATOM 0 HE1 MET A 39 31.052 -17.241 -15.836 1.00 0.00 H new ATOM 0 HE2 MET A 39 30.405 -17.915 -17.351 1.00 0.00 H new ATOM 0 HE3 MET A 39 30.676 -18.976 -15.948 1.00 0.00 H new ATOM 593 N LEU A 40 36.330 -22.632 -17.937 1.00 0.00 N ATOM 594 CA LEU A 40 36.743 -24.009 -17.626 1.00 0.00 C ATOM 595 C LEU A 40 37.084 -24.168 -16.136 1.00 0.00 C ATOM 596 O LEU A 40 37.539 -25.218 -15.690 1.00 0.00 O ATOM 597 CB LEU A 40 37.775 -24.609 -18.595 1.00 0.00 C ATOM 598 CG LEU A 40 37.191 -25.066 -19.959 1.00 0.00 C ATOM 599 CD1 LEU A 40 35.661 -25.079 -20.024 1.00 0.00 C ATOM 600 CD2 LEU A 40 37.756 -24.208 -21.078 1.00 0.00 C ATOM 0 H LEU A 40 37.067 -22.000 -18.250 1.00 0.00 H new ATOM 0 HA LEU A 40 35.872 -24.638 -17.808 1.00 0.00 H new ATOM 0 HB2 LEU A 40 38.555 -23.870 -18.778 1.00 0.00 H new ATOM 0 HB3 LEU A 40 38.252 -25.463 -18.114 1.00 0.00 H new ATOM 0 HG LEU A 40 37.498 -26.105 -20.080 1.00 0.00 H new ATOM 0 HD11 LEU A 40 35.342 -25.411 -21.012 1.00 0.00 H new ATOM 0 HD12 LEU A 40 35.271 -25.761 -19.269 1.00 0.00 H new ATOM 0 HD13 LEU A 40 35.280 -24.075 -19.838 1.00 0.00 H new ATOM 0 HD21 LEU A 40 37.342 -24.535 -22.032 1.00 0.00 H new ATOM 0 HD22 LEU A 40 37.491 -23.165 -20.906 1.00 0.00 H new ATOM 0 HD23 LEU A 40 38.841 -24.308 -21.101 1.00 0.00 H new ATOM 612 N THR A 41 36.948 -23.086 -15.378 1.00 0.00 N ATOM 613 CA THR A 41 36.825 -23.237 -13.929 1.00 0.00 C ATOM 614 C THR A 41 35.338 -23.372 -13.533 1.00 0.00 C ATOM 615 O THR A 41 34.972 -24.187 -12.687 1.00 0.00 O ATOM 616 CB THR A 41 37.496 -22.094 -13.149 1.00 0.00 C ATOM 617 OG1 THR A 41 38.802 -21.869 -13.666 1.00 0.00 O ATOM 618 CG2 THR A 41 37.610 -22.431 -11.660 1.00 0.00 C ATOM 0 H THR A 41 36.920 -22.127 -15.724 1.00 0.00 H new ATOM 0 HA THR A 41 37.356 -24.149 -13.656 1.00 0.00 H new ATOM 0 HB THR A 41 36.880 -21.202 -13.262 1.00 0.00 H new ATOM 0 HG1 THR A 41 38.737 -21.427 -14.538 1.00 0.00 H new ATOM 0 HG21 THR A 41 38.088 -21.604 -11.135 1.00 0.00 H new ATOM 0 HG22 THR A 41 36.615 -22.596 -11.247 1.00 0.00 H new ATOM 0 HG23 THR A 41 38.208 -23.334 -11.536 1.00 0.00 H new ATOM 626 N LYS A 42 34.470 -22.577 -14.172 1.00 0.00 N ATOM 627 CA LYS A 42 33.043 -22.625 -13.813 1.00 0.00 C ATOM 628 C LYS A 42 32.181 -23.496 -14.740 1.00 0.00 C ATOM 629 O LYS A 42 31.629 -24.514 -14.322 1.00 0.00 O ATOM 630 CB LYS A 42 32.431 -21.221 -13.662 1.00 0.00 C ATOM 631 CG LYS A 42 33.201 -20.359 -12.650 1.00 0.00 C ATOM 632 CD LYS A 42 32.584 -18.958 -12.530 1.00 0.00 C ATOM 633 CE LYS A 42 32.942 -18.068 -13.728 1.00 0.00 C ATOM 634 NZ LYS A 42 34.335 -17.591 -13.615 1.00 0.00 N ATOM 0 H LYS A 42 34.714 -21.917 -14.911 1.00 0.00 H new ATOM 0 HA LYS A 42 33.029 -23.116 -12.840 1.00 0.00 H new ATOM 0 HB2 LYS A 42 32.425 -20.723 -14.631 1.00 0.00 H new ATOM 0 HB3 LYS A 42 31.392 -21.311 -13.344 1.00 0.00 H new ATOM 0 HG2 LYS A 42 33.196 -20.846 -11.675 1.00 0.00 H new ATOM 0 HG3 LYS A 42 34.243 -20.275 -12.959 1.00 0.00 H new ATOM 0 HD2 LYS A 42 31.500 -19.044 -12.454 1.00 0.00 H new ATOM 0 HD3 LYS A 42 32.932 -18.486 -11.611 1.00 0.00 H new ATOM 0 HE2 LYS A 42 32.816 -18.627 -14.655 1.00 0.00 H new ATOM 0 HE3 LYS A 42 32.262 -17.217 -13.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 34.459 -16.740 -14.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 34.544 -17.363 -12.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 34.984 -18.334 -13.944 1.00 0.00 H new ATOM 648 N LEU A 43 32.029 -23.074 -15.997 1.00 0.00 N ATOM 649 CA LEU A 43 31.210 -23.848 -16.927 1.00 0.00 C ATOM 650 C LEU A 43 31.683 -25.307 -17.096 1.00 0.00 C ATOM 651 O LEU A 43 30.895 -26.220 -17.347 1.00 0.00 O ATOM 652 CB LEU A 43 31.147 -23.046 -18.248 1.00 0.00 C ATOM 653 CG LEU A 43 30.944 -23.891 -19.508 1.00 0.00 C ATOM 654 CD1 LEU A 43 29.731 -23.414 -20.284 1.00 0.00 C ATOM 655 CD2 LEU A 43 32.126 -23.776 -20.457 1.00 0.00 C ATOM 0 H LEU A 43 32.448 -22.228 -16.384 1.00 0.00 H new ATOM 0 HA LEU A 43 30.203 -23.973 -16.528 1.00 0.00 H new ATOM 0 HB2 LEU A 43 30.334 -22.323 -18.178 1.00 0.00 H new ATOM 0 HB3 LEU A 43 32.071 -22.477 -18.355 1.00 0.00 H new ATOM 0 HG LEU A 43 30.823 -24.919 -19.167 1.00 0.00 H new ATOM 0 HD11 LEU A 43 29.605 -24.028 -21.176 1.00 0.00 H new ATOM 0 HD12 LEU A 43 28.843 -23.497 -19.658 1.00 0.00 H new ATOM 0 HD13 LEU A 43 29.873 -22.374 -20.577 1.00 0.00 H new ATOM 0 HD21 LEU A 43 31.945 -24.390 -21.339 1.00 0.00 H new ATOM 0 HD22 LEU A 43 32.251 -22.736 -20.758 1.00 0.00 H new ATOM 0 HD23 LEU A 43 33.030 -24.120 -19.955 1.00 0.00 H new ATOM 667 N GLY A 44 32.978 -25.523 -16.913 1.00 0.00 N ATOM 668 CA GLY A 44 33.507 -26.876 -17.096 1.00 0.00 C ATOM 669 C GLY A 44 34.836 -27.001 -16.369 1.00 0.00 C ATOM 670 O GLY A 44 35.900 -27.084 -16.985 1.00 0.00 O ATOM 0 H GLY A 44 33.662 -24.814 -16.649 1.00 0.00 H new ATOM 0 HA2 GLY A 44 32.799 -27.610 -16.711 1.00 0.00 H new ATOM 0 HA3 GLY A 44 33.639 -27.086 -18.157 1.00 0.00 H new ATOM 674 N GLN A 45 34.754 -26.958 -15.037 1.00 0.00 N ATOM 675 CA GLN A 45 35.968 -27.105 -14.202 1.00 0.00 C ATOM 676 C GLN A 45 37.082 -28.002 -14.773 1.00 0.00 C ATOM 677 O GLN A 45 38.269 -27.685 -14.670 1.00 0.00 O ATOM 678 CB GLN A 45 35.598 -27.559 -12.782 1.00 0.00 C ATOM 679 CG GLN A 45 36.719 -27.252 -11.780 1.00 0.00 C ATOM 680 CD GLN A 45 36.344 -27.718 -10.379 1.00 0.00 C ATOM 681 OE1 GLN A 45 35.639 -27.038 -9.637 1.00 0.00 O ATOM 682 NE2 GLN A 45 36.817 -28.889 -9.997 1.00 0.00 N ATOM 0 H GLN A 45 33.887 -26.826 -14.516 1.00 0.00 H new ATOM 0 HA GLN A 45 36.401 -26.105 -14.189 1.00 0.00 H new ATOM 0 HB2 GLN A 45 34.681 -27.060 -12.467 1.00 0.00 H new ATOM 0 HB3 GLN A 45 35.394 -28.630 -12.783 1.00 0.00 H new ATOM 0 HG2 GLN A 45 37.639 -27.744 -12.096 1.00 0.00 H new ATOM 0 HG3 GLN A 45 36.918 -26.180 -11.769 1.00 0.00 H new ATOM 0 HE21 GLN A 45 37.400 -29.435 -10.631 1.00 0.00 H new ATOM 0 HE22 GLN A 45 36.599 -29.248 -9.068 1.00 0.00 H new ATOM 691 N THR A 46 36.706 -29.146 -15.338 1.00 0.00 N ATOM 692 CA THR A 46 37.727 -29.993 -15.961 1.00 0.00 C ATOM 693 C THR A 46 37.101 -30.909 -17.066 1.00 0.00 C ATOM 694 O THR A 46 35.877 -30.913 -17.219 1.00 0.00 O ATOM 695 CB THR A 46 38.513 -30.796 -14.901 1.00 0.00 C ATOM 696 OG1 THR A 46 39.239 -31.854 -15.511 1.00 0.00 O ATOM 697 CG2 THR A 46 37.580 -31.382 -13.825 1.00 0.00 C ATOM 0 H THR A 46 35.750 -29.499 -15.380 1.00 0.00 H new ATOM 0 HA THR A 46 38.449 -29.346 -16.459 1.00 0.00 H new ATOM 0 HB THR A 46 39.205 -30.102 -14.423 1.00 0.00 H new ATOM 0 HG1 THR A 46 39.732 -32.351 -14.825 1.00 0.00 H new ATOM 0 HG21 THR A 46 38.169 -31.940 -13.097 1.00 0.00 H new ATOM 0 HG22 THR A 46 37.052 -30.572 -13.321 1.00 0.00 H new ATOM 0 HG23 THR A 46 36.857 -32.049 -14.294 1.00 0.00 H new ATOM 705 N TYR A 47 37.887 -31.674 -17.858 1.00 0.00 N ATOM 706 CA TYR A 47 37.231 -32.486 -18.903 1.00 0.00 C ATOM 707 C TYR A 47 37.666 -33.967 -18.827 1.00 0.00 C ATOM 708 O TYR A 47 37.122 -34.728 -18.028 1.00 0.00 O ATOM 709 CB TYR A 47 37.374 -31.879 -20.308 1.00 0.00 C ATOM 710 CG TYR A 47 36.093 -31.215 -20.819 1.00 0.00 C ATOM 711 CD1 TYR A 47 35.920 -29.879 -20.640 1.00 0.00 C ATOM 712 CD2 TYR A 47 35.240 -31.886 -21.641 1.00 0.00 C ATOM 713 CE1 TYR A 47 34.726 -29.307 -20.958 1.00 0.00 C ATOM 714 CE2 TYR A 47 34.049 -31.313 -21.974 1.00 0.00 C ATOM 715 CZ TYR A 47 33.780 -30.041 -21.590 1.00 0.00 C ATOM 716 OH TYR A 47 32.506 -29.555 -21.703 1.00 0.00 O ATOM 0 H TYR A 47 38.903 -31.746 -17.803 1.00 0.00 H new ATOM 0 HA TYR A 47 36.161 -32.468 -18.697 1.00 0.00 H new ATOM 0 HB2 TYR A 47 38.177 -31.142 -20.297 1.00 0.00 H new ATOM 0 HB3 TYR A 47 37.671 -32.662 -21.005 1.00 0.00 H new ATOM 0 HD1 TYR A 47 36.725 -29.275 -20.248 1.00 0.00 H new ATOM 0 HD2 TYR A 47 35.504 -32.861 -22.025 1.00 0.00 H new ATOM 0 HE1 TYR A 47 34.535 -28.274 -20.708 1.00 0.00 H new ATOM 0 HE2 TYR A 47 33.321 -31.872 -22.543 1.00 0.00 H new ATOM 0 HH TYR A 47 31.943 -29.947 -21.003 1.00 0.00 H new ATOM 726 N THR A 48 38.625 -34.408 -19.655 1.00 0.00 N ATOM 727 CA THR A 48 39.071 -35.804 -19.519 1.00 0.00 C ATOM 728 C THR A 48 40.601 -35.949 -19.550 1.00 0.00 C ATOM 729 O THR A 48 41.222 -36.294 -18.544 1.00 0.00 O ATOM 730 CB THR A 48 38.373 -36.737 -20.523 1.00 0.00 C ATOM 731 OG1 THR A 48 36.967 -36.538 -20.449 1.00 0.00 O ATOM 732 CG2 THR A 48 38.675 -38.206 -20.217 1.00 0.00 C ATOM 0 H THR A 48 39.083 -33.859 -20.383 1.00 0.00 H new ATOM 0 HA THR A 48 38.761 -36.126 -18.525 1.00 0.00 H new ATOM 0 HB THR A 48 38.745 -36.502 -21.520 1.00 0.00 H new ATOM 0 HG1 THR A 48 36.519 -37.130 -21.089 1.00 0.00 H new ATOM 0 HG21 THR A 48 38.168 -38.841 -20.944 1.00 0.00 H new ATOM 0 HG22 THR A 48 39.750 -38.376 -20.275 1.00 0.00 H new ATOM 0 HG23 THR A 48 38.322 -38.449 -19.215 1.00 0.00 H new ATOM 740 N LYS A 49 41.221 -35.692 -20.701 1.00 0.00 N ATOM 741 CA LYS A 49 42.679 -35.884 -20.789 1.00 0.00 C ATOM 742 C LYS A 49 43.428 -34.575 -21.114 1.00 0.00 C ATOM 743 O LYS A 49 42.921 -33.474 -20.893 1.00 0.00 O ATOM 744 CB LYS A 49 43.035 -37.033 -21.756 1.00 0.00 C ATOM 745 CG LYS A 49 44.245 -37.847 -21.265 1.00 0.00 C ATOM 746 CD LYS A 49 45.110 -38.353 -22.428 1.00 0.00 C ATOM 747 CE LYS A 49 44.368 -39.379 -23.295 1.00 0.00 C ATOM 748 NZ LYS A 49 43.942 -38.760 -24.563 1.00 0.00 N ATOM 0 H LYS A 49 40.767 -35.365 -21.554 1.00 0.00 H new ATOM 0 HA LYS A 49 43.027 -36.182 -19.800 1.00 0.00 H new ATOM 0 HB2 LYS A 49 42.175 -37.693 -21.866 1.00 0.00 H new ATOM 0 HB3 LYS A 49 43.251 -36.623 -22.743 1.00 0.00 H new ATOM 0 HG2 LYS A 49 44.853 -37.229 -20.604 1.00 0.00 H new ATOM 0 HG3 LYS A 49 43.896 -38.696 -20.677 1.00 0.00 H new ATOM 0 HD2 LYS A 49 45.415 -37.509 -23.047 1.00 0.00 H new ATOM 0 HD3 LYS A 49 46.020 -38.804 -22.033 1.00 0.00 H new ATOM 0 HE2 LYS A 49 45.016 -40.231 -23.498 1.00 0.00 H new ATOM 0 HE3 LYS A 49 43.499 -39.760 -22.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 43.043 -39.183 -24.871 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 43.814 -37.737 -24.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 44.668 -38.922 -25.290 1.00 0.00 H new ATOM 762 N ARG A 50 44.655 -34.686 -21.622 1.00 0.00 N ATOM 763 CA ARG A 50 45.420 -33.464 -21.934 1.00 0.00 C ATOM 764 C ARG A 50 44.966 -32.730 -23.212 1.00 0.00 C ATOM 765 O ARG A 50 45.423 -31.625 -23.508 1.00 0.00 O ATOM 766 CB ARG A 50 46.932 -33.722 -21.985 1.00 0.00 C ATOM 767 CG ARG A 50 47.490 -34.098 -20.605 1.00 0.00 C ATOM 768 CD ARG A 50 48.974 -33.734 -20.491 1.00 0.00 C ATOM 769 NE ARG A 50 49.111 -32.295 -20.210 1.00 0.00 N ATOM 770 CZ ARG A 50 50.319 -31.753 -20.097 1.00 0.00 C ATOM 771 NH1 ARG A 50 51.404 -32.426 -20.433 1.00 0.00 N ATOM 772 NH2 ARG A 50 50.433 -30.518 -19.653 1.00 0.00 N ATOM 0 H ARG A 50 45.131 -35.566 -21.822 1.00 0.00 H new ATOM 0 HA ARG A 50 45.199 -32.797 -21.101 1.00 0.00 H new ATOM 0 HB2 ARG A 50 47.141 -34.524 -22.693 1.00 0.00 H new ATOM 0 HB3 ARG A 50 47.441 -32.831 -22.353 1.00 0.00 H new ATOM 0 HG2 ARG A 50 46.925 -33.582 -19.828 1.00 0.00 H new ATOM 0 HG3 ARG A 50 47.361 -35.167 -20.436 1.00 0.00 H new ATOM 0 HD2 ARG A 50 49.441 -34.316 -19.696 1.00 0.00 H new ATOM 0 HD3 ARG A 50 49.492 -33.985 -21.417 1.00 0.00 H new ATOM 0 HE ARG A 50 48.279 -31.715 -20.102 1.00 0.00 H new ATOM 0 HH11 ARG A 50 51.324 -33.379 -20.787 1.00 0.00 H new ATOM 0 HH12 ARG A 50 52.323 -31.993 -20.339 1.00 0.00 H new ATOM 0 HH21 ARG A 50 49.599 -29.988 -19.400 1.00 0.00 H new ATOM 0 HH22 ARG A 50 51.355 -30.092 -19.562 1.00 0.00 H new ATOM 786 N GLU A 51 44.073 -33.331 -23.989 1.00 0.00 N ATOM 787 CA GLU A 51 43.561 -32.620 -25.170 1.00 0.00 C ATOM 788 C GLU A 51 42.511 -31.546 -24.798 1.00 0.00 C ATOM 789 O GLU A 51 42.325 -30.547 -25.498 1.00 0.00 O ATOM 790 CB GLU A 51 43.157 -33.543 -26.337 1.00 0.00 C ATOM 791 CG GLU A 51 42.714 -34.948 -25.894 1.00 0.00 C ATOM 792 CD GLU A 51 43.895 -35.903 -25.800 1.00 0.00 C ATOM 793 OE1 GLU A 51 44.273 -36.496 -26.832 1.00 0.00 O ATOM 794 OE2 GLU A 51 44.438 -36.083 -24.689 1.00 0.00 O ATOM 0 H GLU A 51 43.697 -34.267 -23.840 1.00 0.00 H new ATOM 0 HA GLU A 51 44.406 -32.066 -25.579 1.00 0.00 H new ATOM 0 HB2 GLU A 51 42.345 -33.075 -26.893 1.00 0.00 H new ATOM 0 HB3 GLU A 51 44.000 -33.637 -27.022 1.00 0.00 H new ATOM 0 HG2 GLU A 51 42.218 -34.885 -24.926 1.00 0.00 H new ATOM 0 HG3 GLU A 51 41.984 -35.340 -26.602 1.00 0.00 H new ATOM 801 N THR A 52 41.836 -31.707 -23.666 1.00 0.00 N ATOM 802 CA THR A 52 41.086 -30.566 -23.132 1.00 0.00 C ATOM 803 C THR A 52 42.035 -29.466 -22.610 1.00 0.00 C ATOM 804 O THR A 52 41.728 -28.276 -22.643 1.00 0.00 O ATOM 805 CB THR A 52 39.999 -30.925 -22.114 1.00 0.00 C ATOM 806 OG1 THR A 52 40.130 -32.281 -21.718 1.00 0.00 O ATOM 807 CG2 THR A 52 38.596 -30.741 -22.710 1.00 0.00 C ATOM 0 H THR A 52 41.788 -32.567 -23.120 1.00 0.00 H new ATOM 0 HA THR A 52 40.532 -30.167 -23.981 1.00 0.00 H new ATOM 0 HB THR A 52 40.123 -30.260 -21.259 1.00 0.00 H new ATOM 0 HG1 THR A 52 40.439 -32.322 -20.789 1.00 0.00 H new ATOM 0 HG21 THR A 52 37.846 -31.004 -21.964 1.00 0.00 H new ATOM 0 HG22 THR A 52 38.461 -29.702 -23.009 1.00 0.00 H new ATOM 0 HG23 THR A 52 38.483 -31.387 -23.581 1.00 0.00 H new ATOM 815 N GLU A 53 43.205 -29.865 -22.116 1.00 0.00 N ATOM 816 CA GLU A 53 44.289 -28.875 -21.950 1.00 0.00 C ATOM 817 C GLU A 53 44.565 -28.141 -23.279 1.00 0.00 C ATOM 818 O GLU A 53 44.884 -26.953 -23.308 1.00 0.00 O ATOM 819 CB GLU A 53 45.594 -29.486 -21.419 1.00 0.00 C ATOM 820 CG GLU A 53 45.872 -29.082 -19.967 1.00 0.00 C ATOM 821 CD GLU A 53 47.182 -29.680 -19.484 1.00 0.00 C ATOM 822 OE1 GLU A 53 47.185 -30.854 -19.058 1.00 0.00 O ATOM 823 OE2 GLU A 53 48.220 -28.986 -19.539 1.00 0.00 O ATOM 0 H GLU A 53 43.431 -30.819 -21.833 1.00 0.00 H new ATOM 0 HA GLU A 53 43.937 -28.167 -21.200 1.00 0.00 H new ATOM 0 HB2 GLU A 53 45.539 -30.572 -21.488 1.00 0.00 H new ATOM 0 HB3 GLU A 53 46.425 -29.168 -22.049 1.00 0.00 H new ATOM 0 HG2 GLU A 53 45.912 -27.996 -19.888 1.00 0.00 H new ATOM 0 HG3 GLU A 53 45.056 -29.419 -19.328 1.00 0.00 H new ATOM 830 N ALA A 54 44.459 -28.880 -24.387 1.00 0.00 N ATOM 831 CA ALA A 54 44.449 -28.227 -25.710 1.00 0.00 C ATOM 832 C ALA A 54 43.399 -27.125 -25.799 1.00 0.00 C ATOM 833 O ALA A 54 43.685 -26.028 -26.269 1.00 0.00 O ATOM 834 CB ALA A 54 44.202 -29.181 -26.881 1.00 0.00 C ATOM 0 H ALA A 54 44.381 -29.897 -24.404 1.00 0.00 H new ATOM 0 HA ALA A 54 45.455 -27.817 -25.797 1.00 0.00 H new ATOM 0 HB1 ALA A 54 44.210 -28.620 -27.815 1.00 0.00 H new ATOM 0 HB2 ALA A 54 44.986 -29.938 -26.905 1.00 0.00 H new ATOM 0 HB3 ALA A 54 43.233 -29.666 -26.758 1.00 0.00 H new ATOM 840 N ILE A 55 42.162 -27.423 -25.381 1.00 0.00 N ATOM 841 CA ILE A 55 41.167 -26.326 -25.242 1.00 0.00 C ATOM 842 C ILE A 55 41.814 -25.095 -24.573 1.00 0.00 C ATOM 843 O ILE A 55 41.886 -23.991 -25.122 1.00 0.00 O ATOM 844 CB ILE A 55 39.946 -26.599 -24.314 1.00 0.00 C ATOM 845 CG1 ILE A 55 39.057 -27.769 -24.640 1.00 0.00 C ATOM 846 CG2 ILE A 55 39.065 -25.357 -24.236 1.00 0.00 C ATOM 847 CD1 ILE A 55 38.051 -28.015 -23.522 1.00 0.00 C ATOM 0 H ILE A 55 41.828 -28.357 -25.142 1.00 0.00 H new ATOM 0 HA ILE A 55 40.832 -26.199 -26.272 1.00 0.00 H new ATOM 0 HB ILE A 55 40.423 -26.863 -23.370 1.00 0.00 H new ATOM 0 HG12 ILE A 55 38.529 -27.580 -25.575 1.00 0.00 H new ATOM 0 HG13 ILE A 55 39.664 -28.661 -24.791 1.00 0.00 H new ATOM 0 HG21 ILE A 55 38.213 -25.555 -23.585 1.00 0.00 H new ATOM 0 HG22 ILE A 55 39.643 -24.525 -23.833 1.00 0.00 H new ATOM 0 HG23 ILE A 55 38.708 -25.101 -25.233 1.00 0.00 H new ATOM 0 HD11 ILE A 55 37.420 -28.865 -23.781 1.00 0.00 H new ATOM 0 HD12 ILE A 55 38.583 -28.227 -22.594 1.00 0.00 H new ATOM 0 HD13 ILE A 55 37.430 -27.129 -23.390 1.00 0.00 H new ATOM 859 N MET A 56 42.291 -25.341 -23.358 1.00 0.00 N ATOM 860 CA MET A 56 42.781 -24.254 -22.507 1.00 0.00 C ATOM 861 C MET A 56 43.969 -23.478 -23.089 1.00 0.00 C ATOM 862 O MET A 56 44.105 -22.269 -22.901 1.00 0.00 O ATOM 863 CB MET A 56 43.071 -24.810 -21.104 1.00 0.00 C ATOM 864 CG MET A 56 41.804 -25.434 -20.488 1.00 0.00 C ATOM 865 SD MET A 56 42.183 -27.035 -19.731 1.00 0.00 S ATOM 866 CE MET A 56 40.533 -27.795 -19.690 1.00 0.00 C ATOM 0 H MET A 56 42.350 -26.270 -22.941 1.00 0.00 H new ATOM 0 HA MET A 56 41.992 -23.504 -22.447 1.00 0.00 H new ATOM 0 HB2 MET A 56 43.860 -25.560 -21.161 1.00 0.00 H new ATOM 0 HB3 MET A 56 43.438 -24.011 -20.460 1.00 0.00 H new ATOM 0 HG2 MET A 56 41.389 -24.761 -19.738 1.00 0.00 H new ATOM 0 HG3 MET A 56 41.044 -25.561 -21.259 1.00 0.00 H new ATOM 0 HE1 MET A 56 40.612 -28.815 -19.315 1.00 0.00 H new ATOM 0 HE2 MET A 56 39.882 -27.217 -19.034 1.00 0.00 H new ATOM 0 HE3 MET A 56 40.114 -27.810 -20.696 1.00 0.00 H new ATOM 876 N LYS A 57 44.821 -24.181 -23.818 1.00 0.00 N ATOM 877 CA LYS A 57 45.955 -23.501 -24.461 1.00 0.00 C ATOM 878 C LYS A 57 45.602 -22.873 -25.825 1.00 0.00 C ATOM 879 O LYS A 57 46.050 -21.774 -26.156 1.00 0.00 O ATOM 880 CB LYS A 57 47.169 -24.431 -24.592 1.00 0.00 C ATOM 881 CG LYS A 57 48.449 -23.650 -24.915 1.00 0.00 C ATOM 882 CD LYS A 57 49.643 -24.593 -25.095 1.00 0.00 C ATOM 883 CE LYS A 57 49.602 -25.279 -26.463 1.00 0.00 C ATOM 884 NZ LYS A 57 50.811 -26.101 -26.646 1.00 0.00 N ATOM 0 H LYS A 57 44.763 -25.186 -23.981 1.00 0.00 H new ATOM 0 HA LYS A 57 46.216 -22.677 -23.797 1.00 0.00 H new ATOM 0 HB2 LYS A 57 47.305 -24.985 -23.663 1.00 0.00 H new ATOM 0 HB3 LYS A 57 46.983 -25.165 -25.376 1.00 0.00 H new ATOM 0 HG2 LYS A 57 48.303 -23.067 -25.824 1.00 0.00 H new ATOM 0 HG3 LYS A 57 48.659 -22.943 -24.113 1.00 0.00 H new ATOM 0 HD2 LYS A 57 50.572 -24.032 -24.994 1.00 0.00 H new ATOM 0 HD3 LYS A 57 49.638 -25.346 -24.307 1.00 0.00 H new ATOM 0 HE2 LYS A 57 48.712 -25.903 -26.540 1.00 0.00 H new ATOM 0 HE3 LYS A 57 49.537 -24.531 -27.253 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 50.778 -26.565 -27.576 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 51.654 -25.495 -26.591 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 50.855 -26.824 -25.900 1.00 0.00 H new ATOM 898 N GLU A 58 44.805 -23.576 -26.628 1.00 0.00 N ATOM 899 CA GLU A 58 44.456 -23.051 -27.964 1.00 0.00 C ATOM 900 C GLU A 58 43.515 -21.829 -27.961 1.00 0.00 C ATOM 901 O GLU A 58 43.405 -21.115 -28.958 1.00 0.00 O ATOM 902 CB GLU A 58 43.913 -24.155 -28.886 1.00 0.00 C ATOM 903 CG GLU A 58 42.440 -24.485 -28.593 1.00 0.00 C ATOM 904 CD GLU A 58 41.997 -25.753 -29.310 1.00 0.00 C ATOM 905 OE1 GLU A 58 42.241 -25.876 -30.529 1.00 0.00 O ATOM 906 OE2 GLU A 58 41.393 -26.632 -28.656 1.00 0.00 O ATOM 0 H GLU A 58 44.396 -24.481 -26.396 1.00 0.00 H new ATOM 0 HA GLU A 58 45.402 -22.685 -28.363 1.00 0.00 H new ATOM 0 HB2 GLU A 58 44.013 -23.840 -29.925 1.00 0.00 H new ATOM 0 HB3 GLU A 58 44.516 -25.055 -28.766 1.00 0.00 H new ATOM 0 HG2 GLU A 58 42.300 -24.606 -27.519 1.00 0.00 H new ATOM 0 HG3 GLU A 58 41.811 -23.651 -28.904 1.00 0.00 H new ATOM 913 N ALA A 59 42.821 -21.599 -26.847 1.00 0.00 N ATOM 914 CA ALA A 59 41.917 -20.437 -26.776 1.00 0.00 C ATOM 915 C ALA A 59 42.546 -19.065 -27.091 1.00 0.00 C ATOM 916 O ALA A 59 41.848 -18.055 -27.173 1.00 0.00 O ATOM 917 CB ALA A 59 41.209 -20.391 -25.425 1.00 0.00 C ATOM 0 H ALA A 59 42.859 -22.175 -26.006 1.00 0.00 H new ATOM 0 HA ALA A 59 41.205 -20.605 -27.584 1.00 0.00 H new ATOM 0 HB1 ALA A 59 40.546 -19.527 -25.391 1.00 0.00 H new ATOM 0 HB2 ALA A 59 40.625 -21.302 -25.289 1.00 0.00 H new ATOM 0 HB3 ALA A 59 41.949 -20.312 -24.629 1.00 0.00 H new ATOM 923 N ARG A 60 43.867 -18.999 -27.204 1.00 0.00 N ATOM 924 CA ARG A 60 44.469 -17.760 -27.762 1.00 0.00 C ATOM 925 C ARG A 60 43.916 -17.273 -29.137 1.00 0.00 C ATOM 926 O ARG A 60 43.960 -16.073 -29.406 1.00 0.00 O ATOM 927 CB ARG A 60 45.987 -17.879 -27.616 1.00 0.00 C ATOM 928 CG ARG A 60 46.728 -18.078 -28.949 1.00 0.00 C ATOM 929 CD ARG A 60 47.118 -16.738 -29.583 1.00 0.00 C ATOM 930 NE ARG A 60 47.365 -16.921 -31.022 1.00 0.00 N ATOM 931 CZ ARG A 60 47.803 -15.899 -31.751 1.00 0.00 C ATOM 932 NH1 ARG A 60 47.630 -14.655 -31.345 1.00 0.00 N ATOM 933 NH2 ARG A 60 48.396 -16.129 -32.903 1.00 0.00 N ATOM 0 H ARG A 60 44.523 -19.733 -26.939 1.00 0.00 H new ATOM 0 HA ARG A 60 44.136 -16.904 -27.175 1.00 0.00 H new ATOM 0 HB2 ARG A 60 46.367 -16.980 -27.131 1.00 0.00 H new ATOM 0 HB3 ARG A 60 46.214 -18.717 -26.957 1.00 0.00 H new ATOM 0 HG2 ARG A 60 47.623 -18.677 -28.782 1.00 0.00 H new ATOM 0 HG3 ARG A 60 46.095 -18.637 -29.638 1.00 0.00 H new ATOM 0 HD2 ARG A 60 46.323 -16.008 -29.431 1.00 0.00 H new ATOM 0 HD3 ARG A 60 48.011 -16.342 -29.099 1.00 0.00 H new ATOM 0 HE ARG A 60 47.201 -17.828 -31.458 1.00 0.00 H new ATOM 0 HH11 ARG A 60 47.155 -14.468 -30.462 1.00 0.00 H new ATOM 0 HH12 ARG A 60 47.971 -13.881 -31.914 1.00 0.00 H new ATOM 0 HH21 ARG A 60 48.517 -17.087 -33.232 1.00 0.00 H new ATOM 0 HH22 ARG A 60 48.734 -15.349 -33.467 1.00 0.00 H new ATOM 1031 N LYS A 67 44.428 -11.766 -30.517 1.00 0.00 N ATOM 1032 CA LYS A 67 44.696 -12.673 -29.384 1.00 0.00 C ATOM 1033 C LYS A 67 43.419 -13.161 -28.681 1.00 0.00 C ATOM 1034 O LYS A 67 43.298 -13.097 -27.457 1.00 0.00 O ATOM 1035 CB LYS A 67 45.690 -12.086 -28.359 1.00 0.00 C ATOM 1036 CG LYS A 67 45.221 -10.736 -27.798 1.00 0.00 C ATOM 1037 CD LYS A 67 46.169 -10.249 -26.699 1.00 0.00 C ATOM 1038 CE LYS A 67 45.653 -8.955 -26.067 1.00 0.00 C ATOM 1039 NZ LYS A 67 46.594 -8.493 -25.031 1.00 0.00 N ATOM 0 HA LYS A 67 45.169 -13.543 -29.838 1.00 0.00 H new ATOM 0 HB2 LYS A 67 45.821 -12.792 -27.539 1.00 0.00 H new ATOM 0 HB3 LYS A 67 46.664 -11.962 -28.832 1.00 0.00 H new ATOM 0 HG2 LYS A 67 45.176 -9.999 -28.600 1.00 0.00 H new ATOM 0 HG3 LYS A 67 44.212 -10.833 -27.398 1.00 0.00 H new ATOM 0 HD2 LYS A 67 46.269 -11.018 -25.933 1.00 0.00 H new ATOM 0 HD3 LYS A 67 47.162 -10.084 -27.117 1.00 0.00 H new ATOM 0 HE2 LYS A 67 45.536 -8.188 -26.832 1.00 0.00 H new ATOM 0 HE3 LYS A 67 44.669 -9.121 -25.629 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 46.238 -7.613 -24.606 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 46.685 -9.222 -24.295 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 47.525 -8.317 -25.461 1.00 0.00 H new ATOM 1053 N ASN A 68 42.461 -13.689 -29.442 1.00 0.00 N ATOM 1054 CA ASN A 68 41.207 -14.112 -28.803 1.00 0.00 C ATOM 1055 C ASN A 68 40.365 -15.022 -29.683 1.00 0.00 C ATOM 1056 O ASN A 68 40.517 -15.075 -30.905 1.00 0.00 O ATOM 1057 CB ASN A 68 40.331 -12.963 -28.275 1.00 0.00 C ATOM 1058 CG ASN A 68 40.652 -11.598 -28.884 1.00 0.00 C ATOM 1059 OD1 ASN A 68 41.090 -11.480 -30.027 1.00 0.00 O ATOM 1060 ND2 ASN A 68 40.401 -10.537 -28.148 1.00 0.00 N ATOM 0 H ASN A 68 42.516 -13.831 -30.451 1.00 0.00 H new ATOM 0 HA ASN A 68 41.556 -14.675 -27.937 1.00 0.00 H new ATOM 0 HB2 ASN A 68 39.285 -13.199 -28.472 1.00 0.00 H new ATOM 0 HB3 ASN A 68 40.446 -12.901 -27.193 1.00 0.00 H new ATOM 0 HD21 ASN A 68 40.569 -9.604 -28.524 1.00 0.00 H new ATOM 0 HD22 ASN A 68 40.038 -10.647 -27.201 1.00 0.00 H new ATOM 1067 N ILE A 69 39.439 -15.734 -29.048 1.00 0.00 N ATOM 1068 CA ILE A 69 38.520 -16.549 -29.837 1.00 0.00 C ATOM 1069 C ILE A 69 37.168 -15.888 -30.027 1.00 0.00 C ATOM 1070 O ILE A 69 36.354 -15.724 -29.118 1.00 0.00 O ATOM 1071 CB ILE A 69 38.325 -17.993 -29.403 1.00 0.00 C ATOM 1072 CG1 ILE A 69 37.689 -18.113 -28.001 1.00 0.00 C ATOM 1073 CG2 ILE A 69 39.662 -18.727 -29.469 1.00 0.00 C ATOM 1074 CD1 ILE A 69 37.863 -19.504 -27.383 1.00 0.00 C ATOM 0 H ILE A 69 39.306 -15.766 -28.037 1.00 0.00 H new ATOM 0 HA ILE A 69 39.049 -16.609 -30.788 1.00 0.00 H new ATOM 0 HB ILE A 69 37.620 -18.459 -30.092 1.00 0.00 H new ATOM 0 HG12 ILE A 69 38.135 -17.369 -27.341 1.00 0.00 H new ATOM 0 HG13 ILE A 69 36.626 -17.882 -28.069 1.00 0.00 H new ATOM 0 HG21 ILE A 69 39.524 -19.763 -29.158 1.00 0.00 H new ATOM 0 HG22 ILE A 69 40.041 -18.702 -30.491 1.00 0.00 H new ATOM 0 HG23 ILE A 69 40.377 -18.241 -28.805 1.00 0.00 H new ATOM 0 HD11 ILE A 69 37.395 -19.526 -26.399 1.00 0.00 H new ATOM 0 HD12 ILE A 69 37.393 -20.249 -28.025 1.00 0.00 H new ATOM 0 HD13 ILE A 69 38.925 -19.728 -27.285 1.00 0.00 H new ATOM 1086 N GLY A 70 36.971 -15.498 -31.257 1.00 0.00 N ATOM 1087 CA GLY A 70 35.696 -14.881 -31.630 1.00 0.00 C ATOM 1088 C GLY A 70 34.641 -15.932 -32.019 1.00 0.00 C ATOM 1089 O GLY A 70 34.647 -17.055 -31.513 1.00 0.00 O ATOM 0 H GLY A 70 37.650 -15.587 -32.013 1.00 0.00 H new ATOM 0 HA2 GLY A 70 35.324 -14.285 -30.797 1.00 0.00 H new ATOM 0 HA3 GLY A 70 35.854 -14.199 -32.465 1.00 0.00 H new ATOM 1093 N PRO A 71 33.677 -15.526 -32.859 1.00 0.00 N ATOM 1094 CA PRO A 71 32.504 -16.370 -33.161 1.00 0.00 C ATOM 1095 C PRO A 71 32.685 -17.902 -33.106 1.00 0.00 C ATOM 1096 O PRO A 71 31.967 -18.595 -32.385 1.00 0.00 O ATOM 1097 CB PRO A 71 32.061 -15.932 -34.565 1.00 0.00 C ATOM 1098 CG PRO A 71 32.945 -14.759 -34.995 1.00 0.00 C ATOM 1099 CD PRO A 71 33.998 -14.560 -33.909 1.00 0.00 C ATOM 0 HA PRO A 71 31.772 -16.211 -32.369 1.00 0.00 H new ATOM 0 HB2 PRO A 71 32.155 -16.758 -35.269 1.00 0.00 H new ATOM 0 HB3 PRO A 71 31.012 -15.636 -34.559 1.00 0.00 H new ATOM 0 HG2 PRO A 71 33.418 -14.966 -35.955 1.00 0.00 H new ATOM 0 HG3 PRO A 71 32.349 -13.855 -35.122 1.00 0.00 H new ATOM 0 HD2 PRO A 71 35.001 -14.728 -34.302 1.00 0.00 H new ATOM 0 HD3 PRO A 71 33.974 -13.541 -33.523 1.00 0.00 H new ATOM 1107 N GLU A 72 33.618 -18.445 -33.877 1.00 0.00 N ATOM 1108 CA GLU A 72 33.561 -19.889 -34.152 1.00 0.00 C ATOM 1109 C GLU A 72 34.496 -20.832 -33.366 1.00 0.00 C ATOM 1110 O GLU A 72 34.095 -21.946 -33.025 1.00 0.00 O ATOM 1111 CB GLU A 72 33.569 -20.168 -35.660 1.00 0.00 C ATOM 1112 CG GLU A 72 34.968 -20.070 -36.300 1.00 0.00 C ATOM 1113 CD GLU A 72 35.446 -18.630 -36.466 1.00 0.00 C ATOM 1114 OE1 GLU A 72 35.924 -18.033 -35.477 1.00 0.00 O ATOM 1115 OE2 GLU A 72 35.380 -18.101 -37.596 1.00 0.00 O ATOM 0 H GLU A 72 34.393 -17.942 -34.309 1.00 0.00 H new ATOM 0 HA GLU A 72 32.597 -20.169 -33.726 1.00 0.00 H new ATOM 0 HB2 GLU A 72 33.166 -21.165 -35.838 1.00 0.00 H new ATOM 0 HB3 GLU A 72 32.902 -19.462 -36.155 1.00 0.00 H new ATOM 0 HG2 GLU A 72 35.683 -20.616 -35.684 1.00 0.00 H new ATOM 0 HG3 GLU A 72 34.951 -20.556 -37.275 1.00 0.00 H new ATOM 1122 N GLU A 73 35.743 -20.433 -33.105 1.00 0.00 N ATOM 1123 CA GLU A 73 36.692 -21.384 -32.496 1.00 0.00 C ATOM 1124 C GLU A 73 36.178 -22.090 -31.233 1.00 0.00 C ATOM 1125 O GLU A 73 36.340 -23.298 -31.062 1.00 0.00 O ATOM 1126 CB GLU A 73 38.062 -20.736 -32.250 1.00 0.00 C ATOM 1127 CG GLU A 73 39.011 -21.666 -31.478 1.00 0.00 C ATOM 1128 CD GLU A 73 40.458 -21.448 -31.885 1.00 0.00 C ATOM 1129 OE1 GLU A 73 40.841 -21.878 -32.994 1.00 0.00 O ATOM 1130 OE2 GLU A 73 41.220 -20.852 -31.096 1.00 0.00 O ATOM 0 H GLU A 73 36.114 -19.502 -33.293 1.00 0.00 H new ATOM 0 HA GLU A 73 36.804 -22.174 -33.238 1.00 0.00 H new ATOM 0 HB2 GLU A 73 38.514 -20.470 -33.206 1.00 0.00 H new ATOM 0 HB3 GLU A 73 37.929 -19.809 -31.691 1.00 0.00 H new ATOM 0 HG2 GLU A 73 38.903 -21.491 -30.408 1.00 0.00 H new ATOM 0 HG3 GLU A 73 38.733 -22.704 -31.661 1.00 0.00 H new ATOM 1137 N TRP A 74 35.543 -21.334 -30.353 1.00 0.00 N ATOM 1138 CA TRP A 74 35.072 -21.926 -29.096 1.00 0.00 C ATOM 1139 C TRP A 74 34.069 -23.079 -29.272 1.00 0.00 C ATOM 1140 O TRP A 74 34.164 -24.097 -28.585 1.00 0.00 O ATOM 1141 CB TRP A 74 34.618 -20.788 -28.157 1.00 0.00 C ATOM 1142 CG TRP A 74 34.125 -21.181 -26.760 1.00 0.00 C ATOM 1143 CD1 TRP A 74 32.853 -20.712 -26.444 1.00 0.00 C ATOM 1144 CD2 TRP A 74 34.919 -20.890 -25.660 1.00 0.00 C ATOM 1145 NE1 TRP A 74 32.864 -19.954 -25.263 1.00 0.00 N ATOM 1146 CE2 TRP A 74 34.153 -20.139 -24.759 1.00 0.00 C ATOM 1147 CE3 TRP A 74 35.827 -21.791 -25.173 1.00 0.00 C ATOM 1148 CZ2 TRP A 74 34.357 -20.293 -23.417 1.00 0.00 C ATOM 1149 CZ3 TRP A 74 36.013 -21.904 -23.828 1.00 0.00 C ATOM 1150 CH2 TRP A 74 35.190 -21.264 -22.960 1.00 0.00 C ATOM 0 H TRP A 74 35.343 -20.341 -30.471 1.00 0.00 H new ATOM 0 HA TRP A 74 35.901 -22.445 -28.615 1.00 0.00 H new ATOM 0 HB2 TRP A 74 35.452 -20.097 -28.038 1.00 0.00 H new ATOM 0 HB3 TRP A 74 33.818 -20.240 -28.655 1.00 0.00 H new ATOM 0 HD1 TRP A 74 31.969 -20.907 -27.033 1.00 0.00 H new ATOM 0 HE1 TRP A 74 32.107 -19.398 -24.866 1.00 0.00 H new ATOM 0 HE3 TRP A 74 36.394 -22.410 -25.852 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 33.855 -19.641 -22.718 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 36.824 -22.509 -23.449 1.00 0.00 H new ATOM 0 HH2 TRP A 74 35.197 -21.525 -21.912 1.00 0.00 H new ATOM 1161 N LEU A 75 33.148 -22.979 -30.232 1.00 0.00 N ATOM 1162 CA LEU A 75 32.267 -24.136 -30.482 1.00 0.00 C ATOM 1163 C LEU A 75 32.866 -25.204 -31.396 1.00 0.00 C ATOM 1164 O LEU A 75 32.452 -26.359 -31.344 1.00 0.00 O ATOM 1165 CB LEU A 75 30.853 -23.808 -30.962 1.00 0.00 C ATOM 1166 CG LEU A 75 29.804 -24.527 -30.094 1.00 0.00 C ATOM 1167 CD1 LEU A 75 28.482 -23.879 -30.315 1.00 0.00 C ATOM 1168 CD2 LEU A 75 29.583 -26.007 -30.446 1.00 0.00 C ATOM 0 H LEU A 75 32.991 -22.162 -30.822 1.00 0.00 H new ATOM 0 HA LEU A 75 32.180 -24.543 -29.474 1.00 0.00 H new ATOM 0 HB2 LEU A 75 30.690 -22.731 -30.921 1.00 0.00 H new ATOM 0 HB3 LEU A 75 30.738 -24.108 -32.004 1.00 0.00 H new ATOM 0 HG LEU A 75 30.184 -24.461 -29.074 1.00 0.00 H new ATOM 0 HD11 LEU A 75 27.727 -24.377 -29.707 1.00 0.00 H new ATOM 0 HD12 LEU A 75 28.540 -22.828 -30.033 1.00 0.00 H new ATOM 0 HD13 LEU A 75 28.210 -23.957 -31.368 1.00 0.00 H new ATOM 0 HD21 LEU A 75 28.828 -26.430 -29.783 1.00 0.00 H new ATOM 0 HD22 LEU A 75 29.246 -26.089 -31.479 1.00 0.00 H new ATOM 0 HD23 LEU A 75 30.519 -26.553 -30.326 1.00 0.00 H new ATOM 1180 N THR A 76 33.807 -24.861 -32.271 1.00 0.00 N ATOM 1181 CA THR A 76 34.421 -25.942 -33.053 1.00 0.00 C ATOM 1182 C THR A 76 35.267 -26.855 -32.166 1.00 0.00 C ATOM 1183 O THR A 76 35.100 -28.080 -32.188 1.00 0.00 O ATOM 1184 CB THR A 76 35.147 -25.539 -34.337 1.00 0.00 C ATOM 1185 OG1 THR A 76 34.196 -25.095 -35.294 1.00 0.00 O ATOM 1186 CG2 THR A 76 36.171 -24.432 -34.110 1.00 0.00 C ATOM 0 H THR A 76 34.146 -23.917 -32.454 1.00 0.00 H new ATOM 0 HA THR A 76 33.568 -26.504 -33.434 1.00 0.00 H new ATOM 0 HB THR A 76 35.683 -26.418 -34.694 1.00 0.00 H new ATOM 0 HG1 THR A 76 34.658 -24.834 -36.118 1.00 0.00 H new ATOM 0 HG21 THR A 76 36.656 -24.186 -35.055 1.00 0.00 H new ATOM 0 HG22 THR A 76 35.669 -23.547 -33.718 1.00 0.00 H new ATOM 0 HG23 THR A 76 36.921 -24.771 -33.395 1.00 0.00 H new ATOM 1194 N LEU A 77 36.149 -26.288 -31.333 1.00 0.00 N ATOM 1195 CA LEU A 77 36.788 -27.159 -30.345 1.00 0.00 C ATOM 1196 C LEU A 77 35.729 -27.795 -29.439 1.00 0.00 C ATOM 1197 O LEU A 77 35.688 -29.009 -29.314 1.00 0.00 O ATOM 1198 CB LEU A 77 37.978 -26.568 -29.567 1.00 0.00 C ATOM 1199 CG LEU A 77 37.539 -25.524 -28.538 1.00 0.00 C ATOM 1200 CD1 LEU A 77 37.765 -25.949 -27.101 1.00 0.00 C ATOM 1201 CD2 LEU A 77 38.342 -24.258 -28.747 1.00 0.00 C ATOM 0 H LEU A 77 36.421 -25.305 -31.319 1.00 0.00 H new ATOM 0 HA LEU A 77 37.279 -27.938 -30.928 1.00 0.00 H new ATOM 0 HB2 LEU A 77 38.513 -27.371 -29.060 1.00 0.00 H new ATOM 0 HB3 LEU A 77 38.677 -26.112 -30.268 1.00 0.00 H new ATOM 0 HG LEU A 77 36.469 -25.384 -28.690 1.00 0.00 H new ATOM 0 HD11 LEU A 77 37.430 -25.158 -26.431 1.00 0.00 H new ATOM 0 HD12 LEU A 77 37.202 -26.860 -26.898 1.00 0.00 H new ATOM 0 HD13 LEU A 77 38.827 -26.136 -26.939 1.00 0.00 H new ATOM 0 HD21 LEU A 77 38.036 -23.508 -28.018 1.00 0.00 H new ATOM 0 HD22 LEU A 77 39.403 -24.475 -28.621 1.00 0.00 H new ATOM 0 HD23 LEU A 77 38.167 -23.878 -29.753 1.00 0.00 H new ATOM 1213 N CYS A 78 34.792 -27.013 -28.900 1.00 0.00 N ATOM 1214 CA CYS A 78 33.758 -27.612 -28.046 1.00 0.00 C ATOM 1215 C CYS A 78 32.950 -28.729 -28.729 1.00 0.00 C ATOM 1216 O CYS A 78 32.424 -29.615 -28.061 1.00 0.00 O ATOM 1217 CB CYS A 78 32.829 -26.579 -27.422 1.00 0.00 C ATOM 1218 SG CYS A 78 33.665 -25.784 -26.008 1.00 0.00 S ATOM 0 H CYS A 78 34.724 -26.004 -29.030 1.00 0.00 H new ATOM 0 HA CYS A 78 34.322 -28.083 -27.241 1.00 0.00 H new ATOM 0 HB2 CYS A 78 32.552 -25.829 -28.163 1.00 0.00 H new ATOM 0 HB3 CYS A 78 31.907 -27.056 -27.091 1.00 0.00 H new ATOM 0 HG CYS A 78 32.786 -25.479 -25.100 1.00 0.00 H new ATOM 1224 N SER A 79 32.834 -28.706 -30.058 1.00 0.00 N ATOM 1225 CA SER A 79 32.243 -29.872 -30.734 1.00 0.00 C ATOM 1226 C SER A 79 33.173 -31.096 -30.649 1.00 0.00 C ATOM 1227 O SER A 79 32.783 -32.181 -30.200 1.00 0.00 O ATOM 1228 CB SER A 79 31.815 -29.580 -32.177 1.00 0.00 C ATOM 1229 OG SER A 79 32.952 -29.316 -32.990 1.00 0.00 O ATOM 0 H SER A 79 33.123 -27.939 -30.665 1.00 0.00 H new ATOM 0 HA SER A 79 31.326 -30.109 -30.195 1.00 0.00 H new ATOM 0 HB2 SER A 79 31.263 -30.430 -32.578 1.00 0.00 H new ATOM 0 HB3 SER A 79 31.140 -28.724 -32.196 1.00 0.00 H new ATOM 0 HG SER A 79 33.467 -28.578 -32.602 1.00 0.00 H new ATOM 1235 N LYS A 80 34.438 -30.905 -31.034 1.00 0.00 N ATOM 1236 CA LYS A 80 35.421 -31.987 -30.831 1.00 0.00 C ATOM 1237 C LYS A 80 35.574 -32.397 -29.347 1.00 0.00 C ATOM 1238 O LYS A 80 35.900 -33.538 -29.021 1.00 0.00 O ATOM 1239 CB LYS A 80 36.807 -31.666 -31.420 1.00 0.00 C ATOM 1240 CG LYS A 80 36.740 -31.077 -32.839 1.00 0.00 C ATOM 1241 CD LYS A 80 36.107 -32.052 -33.837 1.00 0.00 C ATOM 1242 CE LYS A 80 36.034 -31.420 -35.229 1.00 0.00 C ATOM 1243 NZ LYS A 80 35.363 -32.343 -36.162 1.00 0.00 N ATOM 0 H LYS A 80 34.800 -30.056 -31.468 1.00 0.00 H new ATOM 0 HA LYS A 80 35.005 -32.832 -31.379 1.00 0.00 H new ATOM 0 HB2 LYS A 80 37.319 -30.961 -30.765 1.00 0.00 H new ATOM 0 HB3 LYS A 80 37.406 -32.576 -31.439 1.00 0.00 H new ATOM 0 HG2 LYS A 80 36.163 -30.152 -32.821 1.00 0.00 H new ATOM 0 HG3 LYS A 80 37.745 -30.819 -33.172 1.00 0.00 H new ATOM 0 HD2 LYS A 80 36.692 -32.971 -33.878 1.00 0.00 H new ATOM 0 HD3 LYS A 80 35.106 -32.326 -33.502 1.00 0.00 H new ATOM 0 HE2 LYS A 80 35.490 -30.477 -35.182 1.00 0.00 H new ATOM 0 HE3 LYS A 80 37.038 -31.192 -35.588 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 35.316 -31.909 -37.106 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 35.899 -33.232 -36.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 34.400 -32.540 -35.823 1.00 0.00 H new ATOM 1257 N TRP A 81 35.331 -31.447 -28.450 1.00 0.00 N ATOM 1258 CA TRP A 81 35.402 -31.739 -27.017 1.00 0.00 C ATOM 1259 C TRP A 81 34.109 -32.356 -26.470 1.00 0.00 C ATOM 1260 O TRP A 81 34.112 -33.047 -25.451 1.00 0.00 O ATOM 1261 CB TRP A 81 35.848 -30.510 -26.194 1.00 0.00 C ATOM 1262 CG TRP A 81 37.317 -30.170 -26.429 1.00 0.00 C ATOM 1263 CD1 TRP A 81 37.782 -29.560 -27.598 1.00 0.00 C ATOM 1264 CD2 TRP A 81 38.299 -31.016 -26.002 1.00 0.00 C ATOM 1265 NE1 TRP A 81 39.056 -30.061 -27.942 1.00 0.00 N ATOM 1266 CE2 TRP A 81 39.336 -30.987 -26.928 1.00 0.00 C ATOM 1267 CE3 TRP A 81 38.024 -32.161 -25.311 1.00 0.00 C ATOM 1268 CZ2 TRP A 81 40.014 -32.137 -27.185 1.00 0.00 C ATOM 1269 CZ3 TRP A 81 38.797 -33.250 -25.491 1.00 0.00 C ATOM 1270 CH2 TRP A 81 39.784 -33.238 -26.416 1.00 0.00 C ATOM 0 H TRP A 81 35.087 -30.484 -28.681 1.00 0.00 H new ATOM 0 HA TRP A 81 36.175 -32.499 -26.903 1.00 0.00 H new ATOM 0 HB2 TRP A 81 35.230 -29.652 -26.459 1.00 0.00 H new ATOM 0 HB3 TRP A 81 35.686 -30.705 -25.134 1.00 0.00 H new ATOM 0 HD1 TRP A 81 37.242 -28.811 -28.159 1.00 0.00 H new ATOM 0 HE1 TRP A 81 39.637 -29.808 -28.741 1.00 0.00 H new ATOM 0 HE3 TRP A 81 37.191 -32.194 -24.624 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 40.730 -32.178 -27.993 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 38.628 -34.135 -24.895 1.00 0.00 H new ATOM 0 HH2 TRP A 81 40.400 -34.116 -26.547 1.00 0.00 H new ATOM 1281 N VAL A 82 32.989 -32.093 -27.136 1.00 0.00 N ATOM 1282 CA VAL A 82 31.773 -32.875 -26.853 1.00 0.00 C ATOM 1283 C VAL A 82 31.992 -34.361 -27.183 1.00 0.00 C ATOM 1284 O VAL A 82 31.476 -35.250 -26.505 1.00 0.00 O ATOM 1285 CB VAL A 82 30.519 -32.301 -27.544 1.00 0.00 C ATOM 1286 CG1 VAL A 82 29.328 -33.264 -27.450 1.00 0.00 C ATOM 1287 CG2 VAL A 82 30.125 -30.970 -26.897 1.00 0.00 C ATOM 0 H VAL A 82 32.889 -31.373 -27.852 1.00 0.00 H new ATOM 0 HA VAL A 82 31.579 -32.796 -25.783 1.00 0.00 H new ATOM 0 HB VAL A 82 30.768 -32.154 -28.595 1.00 0.00 H new ATOM 0 HG11 VAL A 82 28.464 -32.824 -27.948 1.00 0.00 H new ATOM 0 HG12 VAL A 82 29.584 -34.207 -27.933 1.00 0.00 H new ATOM 0 HG13 VAL A 82 29.089 -33.446 -26.402 1.00 0.00 H new ATOM 0 HG21 VAL A 82 29.239 -30.573 -27.392 1.00 0.00 H new ATOM 0 HG22 VAL A 82 29.910 -31.129 -25.840 1.00 0.00 H new ATOM 0 HG23 VAL A 82 30.946 -30.260 -26.998 1.00 0.00 H new