USER MOD reduce.3.24.130724 H: found=0, std=0, add=599, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 598 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 81 LYS NZ :NH3+ -171:sc= 0 (180deg=0) USER MOD Set 1.2: A 83 MET CE :methyl -134:sc= -0.429 (180deg=-1.52) USER MOD Set 2.1: A 50 THR OG1 : rot -42:sc= -1.07! USER MOD Set 2.2: A 57 GLN : amide:sc= -3.86! C(o=-4.9!,f=-11!) USER MOD Set 3.1: A 25 ASN : amide:sc= 0.261 K(o=0.55,f=-2.8) USER MOD Set 3.2: A 26 LYS NZ :NH3+ -116:sc= 0.288 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot -79:sc= 0.192 USER MOD Single : A 28 LYS NZ :NH3+ -171:sc= 0.0755 (180deg=-0.0587) USER MOD Single : A 29 HIS : no HE2:sc= -3.63! C(o=-3.6!,f=-4.1!) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot -21:sc= 0.828 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0.0247 USER MOD Single : A 40 SER OG : rot 71:sc= 0.866 USER MOD Single : A 43 LYS NZ :NH3+ 171:sc= 0.688 (180deg=0.511) USER MOD Single : A 44 GLN : amide:sc= -0.0297 X(o=-0.03,f=-0.17) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 HIS :FLIP no HE2:sc= -0.43 F(o=-2.4,f=-0.43) USER MOD Single : A 48 SER OG : rot 94:sc= 0.979 USER MOD Single : A 56 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 MET CE :methyl 145:sc= -0.939 (180deg=-3.26!) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.169) USER MOD Single : A 70 THR OG1 : rot -100:sc= 0.267 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 9:sc= 1.06 USER MOD ----------------------------------------------------------------- ATOM 154 N GLU A 16 11.503 8.866 -9.269 1.00 0.00 N ATOM 155 CA GLU A 16 11.084 7.490 -9.469 1.00 0.00 C ATOM 156 C GLU A 16 10.288 6.996 -8.259 1.00 0.00 C ATOM 157 O GLU A 16 10.803 6.967 -7.143 1.00 0.00 O ATOM 158 CB GLU A 16 12.287 6.584 -9.739 1.00 0.00 C ATOM 159 CG GLU A 16 11.866 5.115 -9.798 1.00 0.00 C ATOM 160 CD GLU A 16 13.061 4.213 -10.116 1.00 0.00 C ATOM 161 OE1 GLU A 16 13.635 4.398 -11.211 1.00 0.00 O ATOM 162 OE2 GLU A 16 13.372 3.360 -9.258 1.00 0.00 O ATOM 0 HA GLU A 16 10.437 7.452 -10.346 1.00 0.00 H new ATOM 0 HB2 GLU A 16 12.757 6.869 -10.680 1.00 0.00 H new ATOM 0 HB3 GLU A 16 13.033 6.721 -8.956 1.00 0.00 H new ATOM 0 HG2 GLU A 16 11.427 4.820 -8.845 1.00 0.00 H new ATOM 0 HG3 GLU A 16 11.095 4.984 -10.558 1.00 0.00 H new ATOM 169 N LEU A 17 9.045 6.621 -8.523 1.00 0.00 N ATOM 170 CA LEU A 17 8.172 6.131 -7.469 1.00 0.00 C ATOM 171 C LEU A 17 8.958 5.183 -6.562 1.00 0.00 C ATOM 172 O LEU A 17 9.893 4.521 -7.010 1.00 0.00 O ATOM 173 CB LEU A 17 6.910 5.505 -8.067 1.00 0.00 C ATOM 174 CG LEU A 17 6.084 6.407 -8.986 1.00 0.00 C ATOM 175 CD1 LEU A 17 6.098 7.854 -8.489 1.00 0.00 C ATOM 176 CD2 LEU A 17 6.558 6.294 -10.436 1.00 0.00 C ATOM 0 H LEU A 17 8.622 6.646 -9.451 1.00 0.00 H new ATOM 0 HA LEU A 17 7.826 6.956 -6.846 1.00 0.00 H new ATOM 0 HB2 LEU A 17 7.200 4.617 -8.628 1.00 0.00 H new ATOM 0 HB3 LEU A 17 6.272 5.171 -7.249 1.00 0.00 H new ATOM 0 HG LEU A 17 5.049 6.067 -8.959 1.00 0.00 H new ATOM 0 HD11 LEU A 17 5.504 8.475 -9.160 1.00 0.00 H new ATOM 0 HD12 LEU A 17 5.676 7.898 -7.485 1.00 0.00 H new ATOM 0 HD13 LEU A 17 7.124 8.222 -8.468 1.00 0.00 H new ATOM 0 HD21 LEU A 17 5.954 6.945 -11.068 1.00 0.00 H new ATOM 0 HD22 LEU A 17 7.604 6.593 -10.501 1.00 0.00 H new ATOM 0 HD23 LEU A 17 6.454 5.263 -10.773 1.00 0.00 H new ATOM 188 N VAL A 18 8.550 5.147 -5.302 1.00 0.00 N ATOM 189 CA VAL A 18 9.205 4.291 -4.327 1.00 0.00 C ATOM 190 C VAL A 18 8.530 2.918 -4.325 1.00 0.00 C ATOM 191 O VAL A 18 7.312 2.821 -4.474 1.00 0.00 O ATOM 192 CB VAL A 18 9.198 4.963 -2.952 1.00 0.00 C ATOM 193 CG1 VAL A 18 7.780 5.374 -2.550 1.00 0.00 C ATOM 194 CG2 VAL A 18 9.825 4.053 -1.894 1.00 0.00 C ATOM 0 H VAL A 18 7.774 5.697 -4.934 1.00 0.00 H new ATOM 0 HA VAL A 18 10.251 4.139 -4.594 1.00 0.00 H new ATOM 0 HB VAL A 18 9.803 5.867 -3.018 1.00 0.00 H new ATOM 0 HG11 VAL A 18 7.803 5.849 -1.569 1.00 0.00 H new ATOM 0 HG12 VAL A 18 7.383 6.075 -3.284 1.00 0.00 H new ATOM 0 HG13 VAL A 18 7.143 4.491 -2.510 1.00 0.00 H new ATOM 0 HG21 VAL A 18 9.808 4.554 -0.926 1.00 0.00 H new ATOM 0 HG22 VAL A 18 9.259 3.124 -1.832 1.00 0.00 H new ATOM 0 HG23 VAL A 18 10.856 3.832 -2.169 1.00 0.00 H new ATOM 204 N ASP A 19 9.350 1.891 -4.156 1.00 0.00 N ATOM 205 CA ASP A 19 8.847 0.528 -4.133 1.00 0.00 C ATOM 206 C ASP A 19 8.275 0.223 -2.748 1.00 0.00 C ATOM 207 O ASP A 19 8.978 0.332 -1.744 1.00 0.00 O ATOM 208 CB ASP A 19 9.966 -0.477 -4.415 1.00 0.00 C ATOM 209 CG ASP A 19 10.040 -0.975 -5.859 1.00 0.00 C ATOM 210 OD1 ASP A 19 9.335 -0.379 -6.702 1.00 0.00 O ATOM 211 OD2 ASP A 19 10.799 -1.941 -6.088 1.00 0.00 O ATOM 0 H ASP A 19 10.359 1.975 -4.034 1.00 0.00 H new ATOM 0 HA ASP A 19 8.080 0.439 -4.902 1.00 0.00 H new ATOM 0 HB2 ASP A 19 10.920 -0.018 -4.156 1.00 0.00 H new ATOM 0 HB3 ASP A 19 9.837 -1.336 -3.757 1.00 0.00 H new ATOM 216 N LEU A 20 7.004 -0.152 -2.736 1.00 0.00 N ATOM 217 CA LEU A 20 6.330 -0.474 -1.490 1.00 0.00 C ATOM 218 C LEU A 20 5.781 -1.900 -1.565 1.00 0.00 C ATOM 219 O LEU A 20 5.257 -2.313 -2.598 1.00 0.00 O ATOM 220 CB LEU A 20 5.266 0.579 -1.170 1.00 0.00 C ATOM 221 CG LEU A 20 5.749 2.030 -1.131 1.00 0.00 C ATOM 222 CD1 LEU A 20 4.595 2.983 -0.812 1.00 0.00 C ATOM 223 CD2 LEU A 20 6.915 2.195 -0.155 1.00 0.00 C ATOM 0 H LEU A 20 6.423 -0.240 -3.570 1.00 0.00 H new ATOM 0 HA LEU A 20 7.034 -0.447 -0.658 1.00 0.00 H new ATOM 0 HB2 LEU A 20 4.472 0.501 -1.912 1.00 0.00 H new ATOM 0 HB3 LEU A 20 4.824 0.338 -0.203 1.00 0.00 H new ATOM 0 HG LEU A 20 6.120 2.293 -2.122 1.00 0.00 H new ATOM 0 HD11 LEU A 20 4.965 4.008 -0.790 1.00 0.00 H new ATOM 0 HD12 LEU A 20 3.825 2.891 -1.578 1.00 0.00 H new ATOM 0 HD13 LEU A 20 4.172 2.729 0.160 1.00 0.00 H new ATOM 0 HD21 LEU A 20 7.238 3.236 -0.147 1.00 0.00 H new ATOM 0 HD22 LEU A 20 6.595 1.907 0.846 1.00 0.00 H new ATOM 0 HD23 LEU A 20 7.744 1.560 -0.468 1.00 0.00 H new ATOM 235 N LYS A 21 5.920 -2.612 -0.457 1.00 0.00 N ATOM 236 CA LYS A 21 5.444 -3.983 -0.384 1.00 0.00 C ATOM 237 C LYS A 21 4.059 -4.004 0.265 1.00 0.00 C ATOM 238 O LYS A 21 3.908 -3.625 1.426 1.00 0.00 O ATOM 239 CB LYS A 21 6.470 -4.869 0.325 1.00 0.00 C ATOM 240 CG LYS A 21 7.069 -5.895 -0.639 1.00 0.00 C ATOM 241 CD LYS A 21 8.516 -6.221 -0.264 1.00 0.00 C ATOM 242 CE LYS A 21 9.473 -5.853 -1.399 1.00 0.00 C ATOM 243 NZ LYS A 21 10.648 -5.124 -0.871 1.00 0.00 N ATOM 0 H LYS A 21 6.355 -2.266 0.398 1.00 0.00 H new ATOM 0 HA LYS A 21 5.333 -4.402 -1.384 1.00 0.00 H new ATOM 0 HB2 LYS A 21 7.264 -4.250 0.742 1.00 0.00 H new ATOM 0 HB3 LYS A 21 5.996 -5.384 1.161 1.00 0.00 H new ATOM 0 HG2 LYS A 21 6.471 -6.806 -0.623 1.00 0.00 H new ATOM 0 HG3 LYS A 21 7.032 -5.507 -1.657 1.00 0.00 H new ATOM 0 HD2 LYS A 21 8.792 -5.678 0.640 1.00 0.00 H new ATOM 0 HD3 LYS A 21 8.606 -7.283 -0.038 1.00 0.00 H new ATOM 0 HE2 LYS A 21 9.800 -6.756 -1.914 1.00 0.00 H new ATOM 0 HE3 LYS A 21 8.955 -5.236 -2.134 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 11.287 -4.882 -1.655 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 10.333 -4.252 -0.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 11.151 -5.725 -0.187 1.00 0.00 H new ATOM 257 N ILE A 22 3.083 -4.452 -0.511 1.00 0.00 N ATOM 258 CA ILE A 22 1.716 -4.528 -0.025 1.00 0.00 C ATOM 259 C ILE A 22 1.526 -5.833 0.750 1.00 0.00 C ATOM 260 O ILE A 22 1.074 -6.831 0.191 1.00 0.00 O ATOM 261 CB ILE A 22 0.727 -4.348 -1.179 1.00 0.00 C ATOM 262 CG1 ILE A 22 1.094 -3.132 -2.032 1.00 0.00 C ATOM 263 CG2 ILE A 22 -0.711 -4.272 -0.662 1.00 0.00 C ATOM 264 CD1 ILE A 22 0.611 -1.837 -1.377 1.00 0.00 C ATOM 0 H ILE A 22 3.212 -4.766 -1.473 1.00 0.00 H new ATOM 0 HA ILE A 22 1.513 -3.713 0.669 1.00 0.00 H new ATOM 0 HB ILE A 22 0.792 -5.225 -1.824 1.00 0.00 H new ATOM 0 HG12 ILE A 22 2.175 -3.093 -2.170 1.00 0.00 H new ATOM 0 HG13 ILE A 22 0.650 -3.231 -3.022 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -1.393 -4.144 -1.502 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -0.956 -5.192 -0.132 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -0.809 -3.425 0.017 1.00 0.00 H new ATOM 0 HD11 ILE A 22 0.885 -0.988 -2.004 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -0.473 -1.869 -1.263 1.00 0.00 H new ATOM 0 HD13 ILE A 22 1.076 -1.729 -0.397 1.00 0.00 H new ATOM 276 N ILE A 23 1.880 -5.783 2.025 1.00 0.00 N ATOM 277 CA ILE A 23 1.755 -6.949 2.883 1.00 0.00 C ATOM 278 C ILE A 23 0.296 -7.101 3.319 1.00 0.00 C ATOM 279 O ILE A 23 -0.304 -6.158 3.832 1.00 0.00 O ATOM 280 CB ILE A 23 2.739 -6.864 4.051 1.00 0.00 C ATOM 281 CG1 ILE A 23 4.130 -6.448 3.566 1.00 0.00 C ATOM 282 CG2 ILE A 23 2.775 -8.177 4.835 1.00 0.00 C ATOM 283 CD1 ILE A 23 4.867 -7.630 2.934 1.00 0.00 C ATOM 0 H ILE A 23 2.254 -4.953 2.485 1.00 0.00 H new ATOM 0 HA ILE A 23 2.022 -7.854 2.337 1.00 0.00 H new ATOM 0 HB ILE A 23 2.391 -6.090 4.735 1.00 0.00 H new ATOM 0 HG12 ILE A 23 4.039 -5.641 2.839 1.00 0.00 H new ATOM 0 HG13 ILE A 23 4.710 -6.059 4.403 1.00 0.00 H new ATOM 0 HG21 ILE A 23 3.482 -8.089 5.660 1.00 0.00 H new ATOM 0 HG22 ILE A 23 1.782 -8.392 5.230 1.00 0.00 H new ATOM 0 HG23 ILE A 23 3.086 -8.987 4.175 1.00 0.00 H new ATOM 0 HD11 ILE A 23 5.852 -7.307 2.598 1.00 0.00 H new ATOM 0 HD12 ILE A 23 4.978 -8.426 3.671 1.00 0.00 H new ATOM 0 HD13 ILE A 23 4.297 -8.001 2.082 1.00 0.00 H new ATOM 295 N TRP A 24 -0.233 -8.296 3.099 1.00 0.00 N ATOM 296 CA TRP A 24 -1.610 -8.584 3.462 1.00 0.00 C ATOM 297 C TRP A 24 -1.783 -10.104 3.492 1.00 0.00 C ATOM 298 O TRP A 24 -1.831 -10.747 2.444 1.00 0.00 O ATOM 299 CB TRP A 24 -2.585 -7.889 2.510 1.00 0.00 C ATOM 300 CG TRP A 24 -4.032 -7.869 3.006 1.00 0.00 C ATOM 301 CD1 TRP A 24 -4.473 -7.969 4.268 1.00 0.00 C ATOM 302 CD2 TRP A 24 -5.218 -7.736 2.195 1.00 0.00 C ATOM 303 NE1 TRP A 24 -5.850 -7.910 4.328 1.00 0.00 N ATOM 304 CE2 TRP A 24 -6.318 -7.764 3.028 1.00 0.00 C ATOM 305 CE3 TRP A 24 -5.356 -7.597 0.802 1.00 0.00 C ATOM 306 CZ2 TRP A 24 -7.634 -7.658 2.563 1.00 0.00 C ATOM 307 CZ3 TRP A 24 -6.678 -7.492 0.354 1.00 0.00 C ATOM 308 CH2 TRP A 24 -7.796 -7.519 1.179 1.00 0.00 C ATOM 0 H TRP A 24 0.268 -9.076 2.674 1.00 0.00 H new ATOM 0 HA TRP A 24 -1.839 -8.188 4.452 1.00 0.00 H new ATOM 0 HB2 TRP A 24 -2.252 -6.863 2.351 1.00 0.00 H new ATOM 0 HB3 TRP A 24 -2.550 -8.389 1.542 1.00 0.00 H new ATOM 0 HD1 TRP A 24 -3.831 -8.082 5.129 1.00 0.00 H new ATOM 0 HE1 TRP A 24 -6.420 -7.964 5.172 1.00 0.00 H new ATOM 0 HE3 TRP A 24 -4.510 -7.573 0.132 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 -8.479 -7.682 3.235 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 -6.841 -7.382 -0.708 1.00 0.00 H new ATOM 0 HH2 TRP A 24 -8.785 -7.433 0.755 1.00 0.00 H new ATOM 319 N ASN A 25 -1.872 -10.634 4.702 1.00 0.00 N ATOM 320 CA ASN A 25 -2.040 -12.066 4.882 1.00 0.00 C ATOM 321 C ASN A 25 -0.745 -12.780 4.487 1.00 0.00 C ATOM 322 O ASN A 25 -0.066 -13.356 5.335 1.00 0.00 O ATOM 323 CB ASN A 25 -3.165 -12.604 3.997 1.00 0.00 C ATOM 324 CG ASN A 25 -4.316 -13.150 4.844 1.00 0.00 C ATOM 325 OD1 ASN A 25 -4.215 -14.184 5.484 1.00 0.00 O ATOM 326 ND2 ASN A 25 -5.414 -12.399 4.814 1.00 0.00 N ATOM 0 H ASN A 25 -1.831 -10.097 5.568 1.00 0.00 H new ATOM 0 HA ASN A 25 -2.286 -12.248 5.928 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -3.532 -11.810 3.347 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -2.779 -13.392 3.351 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -6.237 -12.678 5.348 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -5.432 -11.544 4.257 1.00 0.00 H new ATOM 333 N LYS A 26 -0.442 -12.718 3.199 1.00 0.00 N ATOM 334 CA LYS A 26 0.759 -13.351 2.681 1.00 0.00 C ATOM 335 C LYS A 26 0.913 -13.005 1.198 1.00 0.00 C ATOM 336 O LYS A 26 1.313 -13.851 0.399 1.00 0.00 O ATOM 337 CB LYS A 26 0.736 -14.854 2.963 1.00 0.00 C ATOM 338 CG LYS A 26 -0.557 -15.489 2.448 1.00 0.00 C ATOM 339 CD LYS A 26 -0.725 -16.910 2.992 1.00 0.00 C ATOM 340 CE LYS A 26 -2.045 -17.053 3.752 1.00 0.00 C ATOM 341 NZ LYS A 26 -1.974 -16.347 5.051 1.00 0.00 N ATOM 0 H LYS A 26 -1.008 -12.239 2.498 1.00 0.00 H new ATOM 0 HA LYS A 26 1.643 -12.968 3.191 1.00 0.00 H new ATOM 0 HB2 LYS A 26 1.594 -15.330 2.487 1.00 0.00 H new ATOM 0 HB3 LYS A 26 0.829 -15.028 4.035 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -1.410 -14.879 2.746 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -0.546 -15.512 1.358 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -0.696 -17.624 2.169 1.00 0.00 H new ATOM 0 HD3 LYS A 26 0.107 -17.151 3.653 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -2.861 -16.647 3.155 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -2.265 -18.108 3.916 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -2.061 -17.036 5.826 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -1.062 -15.852 5.128 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -2.749 -15.656 5.113 1.00 0.00 H new ATOM 355 N THR A 27 0.589 -11.762 0.876 1.00 0.00 N ATOM 356 CA THR A 27 0.687 -11.295 -0.496 1.00 0.00 C ATOM 357 C THR A 27 1.585 -10.059 -0.576 1.00 0.00 C ATOM 358 O THR A 27 1.592 -9.232 0.335 1.00 0.00 O ATOM 359 CB THR A 27 -0.732 -11.049 -1.014 1.00 0.00 C ATOM 360 OG1 THR A 27 -1.417 -10.489 0.102 1.00 0.00 O ATOM 361 CG2 THR A 27 -1.485 -12.351 -1.299 1.00 0.00 C ATOM 0 H THR A 27 0.258 -11.064 1.542 1.00 0.00 H new ATOM 0 HA THR A 27 1.158 -12.042 -1.135 1.00 0.00 H new ATOM 0 HB THR A 27 -0.688 -10.449 -1.923 1.00 0.00 H new ATOM 0 HG1 THR A 27 -1.665 -11.203 0.726 1.00 0.00 H new ATOM 0 HG21 THR A 27 -2.486 -12.120 -1.664 1.00 0.00 H new ATOM 0 HG22 THR A 27 -0.947 -12.925 -2.054 1.00 0.00 H new ATOM 0 HG23 THR A 27 -1.559 -12.937 -0.383 1.00 0.00 H new ATOM 369 N LYS A 28 2.321 -9.972 -1.674 1.00 0.00 N ATOM 370 CA LYS A 28 3.221 -8.851 -1.885 1.00 0.00 C ATOM 371 C LYS A 28 2.946 -8.232 -3.257 1.00 0.00 C ATOM 372 O LYS A 28 3.374 -8.765 -4.279 1.00 0.00 O ATOM 373 CB LYS A 28 4.675 -9.286 -1.687 1.00 0.00 C ATOM 374 CG LYS A 28 5.627 -8.402 -2.495 1.00 0.00 C ATOM 375 CD LYS A 28 7.086 -8.757 -2.203 1.00 0.00 C ATOM 376 CE LYS A 28 7.763 -9.352 -3.439 1.00 0.00 C ATOM 377 NZ LYS A 28 8.729 -8.390 -4.015 1.00 0.00 N ATOM 0 H LYS A 28 2.313 -10.660 -2.427 1.00 0.00 H new ATOM 0 HA LYS A 28 3.041 -8.074 -1.142 1.00 0.00 H new ATOM 0 HB2 LYS A 28 4.933 -9.233 -0.629 1.00 0.00 H new ATOM 0 HB3 LYS A 28 4.792 -10.326 -1.992 1.00 0.00 H new ATOM 0 HG2 LYS A 28 5.426 -8.523 -3.559 1.00 0.00 H new ATOM 0 HG3 LYS A 28 5.449 -7.354 -2.254 1.00 0.00 H new ATOM 0 HD2 LYS A 28 7.624 -7.865 -1.883 1.00 0.00 H new ATOM 0 HD3 LYS A 28 7.133 -9.470 -1.380 1.00 0.00 H new ATOM 0 HE2 LYS A 28 8.276 -10.275 -3.171 1.00 0.00 H new ATOM 0 HE3 LYS A 28 7.010 -9.611 -4.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 9.066 -8.744 -4.933 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 8.264 -7.469 -4.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 9.537 -8.280 -3.369 1.00 0.00 H new ATOM 391 N HIS A 29 2.233 -7.115 -3.234 1.00 0.00 N ATOM 392 CA HIS A 29 1.895 -6.418 -4.464 1.00 0.00 C ATOM 393 C HIS A 29 2.891 -5.281 -4.699 1.00 0.00 C ATOM 394 O HIS A 29 2.833 -4.251 -4.027 1.00 0.00 O ATOM 395 CB HIS A 29 0.443 -5.938 -4.435 1.00 0.00 C ATOM 396 CG HIS A 29 -0.547 -7.002 -4.026 1.00 0.00 C ATOM 397 ND1 HIS A 29 -1.917 -6.835 -4.139 1.00 0.00 N ATOM 398 CD2 HIS A 29 -0.353 -8.247 -3.504 1.00 0.00 C ATOM 399 CE1 HIS A 29 -2.510 -7.936 -3.702 1.00 0.00 C ATOM 400 NE2 HIS A 29 -1.539 -8.810 -3.308 1.00 0.00 N ATOM 0 H HIS A 29 1.880 -6.676 -2.384 1.00 0.00 H new ATOM 0 HA HIS A 29 1.973 -7.103 -5.308 1.00 0.00 H new ATOM 0 HB2 HIS A 29 0.363 -5.097 -3.746 1.00 0.00 H new ATOM 0 HB3 HIS A 29 0.174 -5.567 -5.424 1.00 0.00 H new ATOM 0 HD1 HIS A 29 -2.389 -6.005 -4.498 1.00 0.00 H new ATOM 0 HD2 HIS A 29 0.604 -8.698 -3.287 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -3.575 -8.111 -3.664 1.00 0.00 H new ATOM 408 N ASP A 30 3.782 -5.504 -5.654 1.00 0.00 N ATOM 409 CA ASP A 30 4.789 -4.511 -5.986 1.00 0.00 C ATOM 410 C ASP A 30 4.112 -3.302 -6.636 1.00 0.00 C ATOM 411 O ASP A 30 3.756 -3.344 -7.813 1.00 0.00 O ATOM 412 CB ASP A 30 5.809 -5.072 -6.978 1.00 0.00 C ATOM 413 CG ASP A 30 7.192 -5.360 -6.390 1.00 0.00 C ATOM 414 OD1 ASP A 30 7.231 -5.797 -5.220 1.00 0.00 O ATOM 415 OD2 ASP A 30 8.179 -5.137 -7.125 1.00 0.00 O ATOM 0 H ASP A 30 3.827 -6.359 -6.209 1.00 0.00 H new ATOM 0 HA ASP A 30 5.300 -4.227 -5.066 1.00 0.00 H new ATOM 0 HB2 ASP A 30 5.412 -5.994 -7.402 1.00 0.00 H new ATOM 0 HB3 ASP A 30 5.920 -4.365 -7.800 1.00 0.00 H new ATOM 420 N VAL A 31 3.955 -2.254 -5.841 1.00 0.00 N ATOM 421 CA VAL A 31 3.327 -1.036 -6.324 1.00 0.00 C ATOM 422 C VAL A 31 4.336 0.112 -6.261 1.00 0.00 C ATOM 423 O VAL A 31 5.103 0.218 -5.305 1.00 0.00 O ATOM 424 CB VAL A 31 2.050 -0.755 -5.529 1.00 0.00 C ATOM 425 CG1 VAL A 31 0.965 -1.784 -5.852 1.00 0.00 C ATOM 426 CG2 VAL A 31 2.338 -0.713 -4.027 1.00 0.00 C ATOM 0 H VAL A 31 4.252 -2.223 -4.866 1.00 0.00 H new ATOM 0 HA VAL A 31 3.027 -1.148 -7.366 1.00 0.00 H new ATOM 0 HB VAL A 31 1.679 0.226 -5.826 1.00 0.00 H new ATOM 0 HG11 VAL A 31 0.068 -1.561 -5.274 1.00 0.00 H new ATOM 0 HG12 VAL A 31 0.730 -1.743 -6.916 1.00 0.00 H new ATOM 0 HG13 VAL A 31 1.322 -2.782 -5.597 1.00 0.00 H new ATOM 0 HG21 VAL A 31 1.414 -0.512 -3.485 1.00 0.00 H new ATOM 0 HG22 VAL A 31 2.745 -1.673 -3.708 1.00 0.00 H new ATOM 0 HG23 VAL A 31 3.061 0.075 -3.817 1.00 0.00 H new ATOM 436 N LYS A 32 4.303 0.944 -7.292 1.00 0.00 N ATOM 437 CA LYS A 32 5.205 2.080 -7.365 1.00 0.00 C ATOM 438 C LYS A 32 4.419 3.368 -7.108 1.00 0.00 C ATOM 439 O LYS A 32 3.556 3.741 -7.901 1.00 0.00 O ATOM 440 CB LYS A 32 5.963 2.078 -8.694 1.00 0.00 C ATOM 441 CG LYS A 32 5.261 2.961 -9.728 1.00 0.00 C ATOM 442 CD LYS A 32 5.857 2.754 -11.122 1.00 0.00 C ATOM 443 CE LYS A 32 4.775 2.849 -12.200 1.00 0.00 C ATOM 444 NZ LYS A 32 5.266 2.284 -13.477 1.00 0.00 N ATOM 0 H LYS A 32 3.666 0.854 -8.083 1.00 0.00 H new ATOM 0 HA LYS A 32 5.967 2.011 -6.589 1.00 0.00 H new ATOM 0 HB2 LYS A 32 6.981 2.435 -8.537 1.00 0.00 H new ATOM 0 HB3 LYS A 32 6.038 1.058 -9.072 1.00 0.00 H new ATOM 0 HG2 LYS A 32 4.196 2.729 -9.746 1.00 0.00 H new ATOM 0 HG3 LYS A 32 5.355 4.008 -9.441 1.00 0.00 H new ATOM 0 HD2 LYS A 32 6.627 3.503 -11.307 1.00 0.00 H new ATOM 0 HD3 LYS A 32 6.342 1.779 -11.173 1.00 0.00 H new ATOM 0 HE2 LYS A 32 3.883 2.312 -11.877 1.00 0.00 H new ATOM 0 HE3 LYS A 32 4.486 3.890 -12.343 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 4.520 2.356 -14.198 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 6.104 2.814 -13.792 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 5.519 1.285 -13.340 1.00 0.00 H new ATOM 458 N VAL A 33 4.746 4.011 -5.997 1.00 0.00 N ATOM 459 CA VAL A 33 4.082 5.249 -5.626 1.00 0.00 C ATOM 460 C VAL A 33 5.134 6.301 -5.272 1.00 0.00 C ATOM 461 O VAL A 33 6.235 5.963 -4.841 1.00 0.00 O ATOM 462 CB VAL A 33 3.089 4.989 -4.490 1.00 0.00 C ATOM 463 CG1 VAL A 33 2.380 3.646 -4.678 1.00 0.00 C ATOM 464 CG2 VAL A 33 3.784 5.057 -3.129 1.00 0.00 C ATOM 0 H VAL A 33 5.462 3.698 -5.342 1.00 0.00 H new ATOM 0 HA VAL A 33 3.503 5.638 -6.463 1.00 0.00 H new ATOM 0 HB VAL A 33 2.333 5.773 -4.519 1.00 0.00 H new ATOM 0 HG11 VAL A 33 1.680 3.486 -3.858 1.00 0.00 H new ATOM 0 HG12 VAL A 33 1.836 3.651 -5.623 1.00 0.00 H new ATOM 0 HG13 VAL A 33 3.117 2.843 -4.688 1.00 0.00 H new ATOM 0 HG21 VAL A 33 3.057 4.869 -2.339 1.00 0.00 H new ATOM 0 HG22 VAL A 33 4.571 4.304 -3.084 1.00 0.00 H new ATOM 0 HG23 VAL A 33 4.220 6.047 -2.992 1.00 0.00 H new ATOM 474 N PRO A 34 4.747 7.590 -5.471 1.00 0.00 N ATOM 475 CA PRO A 34 5.645 8.694 -5.178 1.00 0.00 C ATOM 476 C PRO A 34 5.755 8.925 -3.669 1.00 0.00 C ATOM 477 O PRO A 34 4.842 8.588 -2.918 1.00 0.00 O ATOM 478 CB PRO A 34 5.059 9.885 -5.919 1.00 0.00 C ATOM 479 CG PRO A 34 3.614 9.521 -6.217 1.00 0.00 C ATOM 480 CD PRO A 34 3.451 8.028 -5.980 1.00 0.00 C ATOM 0 HA PRO A 34 6.667 8.502 -5.504 1.00 0.00 H new ATOM 0 HB2 PRO A 34 5.117 10.789 -5.313 1.00 0.00 H new ATOM 0 HB3 PRO A 34 5.610 10.082 -6.839 1.00 0.00 H new ATOM 0 HG2 PRO A 34 2.938 10.086 -5.575 1.00 0.00 H new ATOM 0 HG3 PRO A 34 3.361 9.774 -7.247 1.00 0.00 H new ATOM 0 HD2 PRO A 34 2.655 7.825 -5.263 1.00 0.00 H new ATOM 0 HD3 PRO A 34 3.191 7.507 -6.901 1.00 0.00 H new ATOM 488 N LEU A 35 6.882 9.497 -3.272 1.00 0.00 N ATOM 489 CA LEU A 35 7.124 9.777 -1.866 1.00 0.00 C ATOM 490 C LEU A 35 6.370 11.046 -1.466 1.00 0.00 C ATOM 491 O LEU A 35 6.188 11.317 -0.280 1.00 0.00 O ATOM 492 CB LEU A 35 8.626 9.839 -1.583 1.00 0.00 C ATOM 493 CG LEU A 35 9.102 9.113 -0.323 1.00 0.00 C ATOM 494 CD1 LEU A 35 8.607 7.665 -0.305 1.00 0.00 C ATOM 495 CD2 LEU A 35 10.623 9.200 -0.181 1.00 0.00 C ATOM 0 H LEU A 35 7.638 9.774 -3.899 1.00 0.00 H new ATOM 0 HA LEU A 35 6.739 8.968 -1.245 1.00 0.00 H new ATOM 0 HB2 LEU A 35 9.155 9.422 -2.440 1.00 0.00 H new ATOM 0 HB3 LEU A 35 8.918 10.886 -1.507 1.00 0.00 H new ATOM 0 HG LEU A 35 8.669 9.613 0.543 1.00 0.00 H new ATOM 0 HD11 LEU A 35 8.959 7.171 0.601 1.00 0.00 H new ATOM 0 HD12 LEU A 35 7.517 7.653 -0.325 1.00 0.00 H new ATOM 0 HD13 LEU A 35 8.992 7.138 -1.178 1.00 0.00 H new ATOM 0 HD21 LEU A 35 10.935 8.676 0.723 1.00 0.00 H new ATOM 0 HD22 LEU A 35 11.096 8.740 -1.049 1.00 0.00 H new ATOM 0 HD23 LEU A 35 10.923 10.246 -0.116 1.00 0.00 H new ATOM 507 N ASP A 36 5.952 11.792 -2.479 1.00 0.00 N ATOM 508 CA ASP A 36 5.221 13.026 -2.247 1.00 0.00 C ATOM 509 C ASP A 36 3.822 12.696 -1.726 1.00 0.00 C ATOM 510 O ASP A 36 3.189 13.522 -1.069 1.00 0.00 O ATOM 511 CB ASP A 36 5.067 13.826 -3.543 1.00 0.00 C ATOM 512 CG ASP A 36 5.188 15.343 -3.385 1.00 0.00 C ATOM 513 OD1 ASP A 36 4.188 15.950 -2.946 1.00 0.00 O ATOM 514 OD2 ASP A 36 6.279 15.861 -3.707 1.00 0.00 O ATOM 0 H ASP A 36 6.106 11.565 -3.462 1.00 0.00 H new ATOM 0 HA ASP A 36 5.780 13.617 -1.522 1.00 0.00 H new ATOM 0 HB2 ASP A 36 5.822 13.488 -4.253 1.00 0.00 H new ATOM 0 HB3 ASP A 36 4.095 13.598 -3.980 1.00 0.00 H new ATOM 519 N SER A 37 3.379 11.487 -2.037 1.00 0.00 N ATOM 520 CA SER A 37 2.066 11.037 -1.608 1.00 0.00 C ATOM 521 C SER A 37 1.866 11.346 -0.123 1.00 0.00 C ATOM 522 O SER A 37 2.824 11.345 0.649 1.00 0.00 O ATOM 523 CB SER A 37 1.884 9.540 -1.868 1.00 0.00 C ATOM 524 OG SER A 37 0.910 9.288 -2.877 1.00 0.00 O ATOM 0 H SER A 37 3.907 10.805 -2.581 1.00 0.00 H new ATOM 0 HA SER A 37 1.315 11.573 -2.188 1.00 0.00 H new ATOM 0 HB2 SER A 37 2.838 9.106 -2.168 1.00 0.00 H new ATOM 0 HB3 SER A 37 1.585 9.045 -0.944 1.00 0.00 H new ATOM 0 HG SER A 37 0.326 10.069 -2.970 1.00 0.00 H new ATOM 530 N THR A 38 0.616 11.603 0.233 1.00 0.00 N ATOM 531 CA THR A 38 0.279 11.913 1.612 1.00 0.00 C ATOM 532 C THR A 38 -0.040 10.631 2.384 1.00 0.00 C ATOM 533 O THR A 38 -0.675 9.723 1.851 1.00 0.00 O ATOM 534 CB THR A 38 -0.874 12.919 1.602 1.00 0.00 C ATOM 535 OG1 THR A 38 -2.001 12.151 1.190 1.00 0.00 O ATOM 536 CG2 THR A 38 -0.721 13.974 0.505 1.00 0.00 C ATOM 0 H THR A 38 -0.176 11.603 -0.410 1.00 0.00 H new ATOM 0 HA THR A 38 1.122 12.368 2.133 1.00 0.00 H new ATOM 0 HB THR A 38 -0.935 13.411 2.573 1.00 0.00 H new ATOM 0 HG1 THR A 38 -2.794 12.725 1.158 1.00 0.00 H new ATOM 0 HG21 THR A 38 -1.565 14.663 0.542 1.00 0.00 H new ATOM 0 HG22 THR A 38 0.205 14.527 0.659 1.00 0.00 H new ATOM 0 HG23 THR A 38 -0.694 13.485 -0.469 1.00 0.00 H new ATOM 544 N GLY A 39 0.416 10.598 3.628 1.00 0.00 N ATOM 545 CA GLY A 39 0.187 9.443 4.478 1.00 0.00 C ATOM 546 C GLY A 39 -1.227 8.892 4.286 1.00 0.00 C ATOM 547 O GLY A 39 -1.463 7.699 4.469 1.00 0.00 O ATOM 0 H GLY A 39 0.943 11.353 4.067 1.00 0.00 H new ATOM 0 HA2 GLY A 39 0.918 8.667 4.248 1.00 0.00 H new ATOM 0 HA3 GLY A 39 0.334 9.720 5.522 1.00 0.00 H new ATOM 551 N SER A 40 -2.132 9.788 3.920 1.00 0.00 N ATOM 552 CA SER A 40 -3.517 9.407 3.702 1.00 0.00 C ATOM 553 C SER A 40 -3.651 8.661 2.373 1.00 0.00 C ATOM 554 O SER A 40 -4.256 7.591 2.315 1.00 0.00 O ATOM 555 CB SER A 40 -4.435 10.631 3.718 1.00 0.00 C ATOM 556 OG SER A 40 -5.812 10.266 3.715 1.00 0.00 O ATOM 0 H SER A 40 -1.933 10.777 3.769 1.00 0.00 H new ATOM 0 HA SER A 40 -3.822 8.748 4.515 1.00 0.00 H new ATOM 0 HB2 SER A 40 -4.221 11.233 4.601 1.00 0.00 H new ATOM 0 HB3 SER A 40 -4.223 11.254 2.849 1.00 0.00 H new ATOM 0 HG SER A 40 -6.051 9.882 4.585 1.00 0.00 H new ATOM 562 N GLU A 41 -3.076 9.254 1.337 1.00 0.00 N ATOM 563 CA GLU A 41 -3.124 8.659 0.012 1.00 0.00 C ATOM 564 C GLU A 41 -2.896 7.149 0.101 1.00 0.00 C ATOM 565 O GLU A 41 -3.563 6.376 -0.587 1.00 0.00 O ATOM 566 CB GLU A 41 -2.103 9.314 -0.920 1.00 0.00 C ATOM 567 CG GLU A 41 -2.707 10.528 -1.629 1.00 0.00 C ATOM 568 CD GLU A 41 -2.091 10.714 -3.018 1.00 0.00 C ATOM 569 OE1 GLU A 41 -1.014 11.344 -3.081 1.00 0.00 O ATOM 570 OE2 GLU A 41 -2.713 10.221 -3.984 1.00 0.00 O ATOM 0 H GLU A 41 -2.574 10.141 1.388 1.00 0.00 H new ATOM 0 HA GLU A 41 -4.114 8.833 -0.408 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -1.228 9.621 -0.348 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -1.762 8.589 -1.659 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -3.786 10.401 -1.720 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -2.540 11.424 -1.030 1.00 0.00 H new ATOM 577 N LEU A 42 -1.953 6.773 0.952 1.00 0.00 N ATOM 578 CA LEU A 42 -1.630 5.369 1.139 1.00 0.00 C ATOM 579 C LEU A 42 -2.920 4.548 1.132 1.00 0.00 C ATOM 580 O LEU A 42 -3.058 3.608 0.350 1.00 0.00 O ATOM 581 CB LEU A 42 -0.785 5.177 2.400 1.00 0.00 C ATOM 582 CG LEU A 42 0.731 5.163 2.196 1.00 0.00 C ATOM 583 CD1 LEU A 42 1.463 5.462 3.506 1.00 0.00 C ATOM 584 CD2 LEU A 42 1.188 3.843 1.573 1.00 0.00 C ATOM 0 H LEU A 42 -1.402 7.417 1.520 1.00 0.00 H new ATOM 0 HA LEU A 42 -1.017 5.006 0.314 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -1.030 5.974 3.102 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -1.077 4.238 2.870 1.00 0.00 H new ATOM 0 HG LEU A 42 0.989 5.956 1.494 1.00 0.00 H new ATOM 0 HD11 LEU A 42 2.539 5.446 3.333 1.00 0.00 H new ATOM 0 HD12 LEU A 42 1.169 6.446 3.871 1.00 0.00 H new ATOM 0 HD13 LEU A 42 1.203 4.707 4.248 1.00 0.00 H new ATOM 0 HD21 LEU A 42 2.270 3.859 1.439 1.00 0.00 H new ATOM 0 HD22 LEU A 42 0.916 3.017 2.230 1.00 0.00 H new ATOM 0 HD23 LEU A 42 0.704 3.711 0.605 1.00 0.00 H new ATOM 596 N LYS A 43 -3.834 4.932 2.012 1.00 0.00 N ATOM 597 CA LYS A 43 -5.108 4.243 2.117 1.00 0.00 C ATOM 598 C LYS A 43 -5.638 3.942 0.713 1.00 0.00 C ATOM 599 O LYS A 43 -5.723 2.782 0.313 1.00 0.00 O ATOM 600 CB LYS A 43 -6.082 5.045 2.982 1.00 0.00 C ATOM 601 CG LYS A 43 -5.804 4.822 4.470 1.00 0.00 C ATOM 602 CD LYS A 43 -4.469 5.447 4.879 1.00 0.00 C ATOM 603 CE LYS A 43 -4.384 5.614 6.398 1.00 0.00 C ATOM 604 NZ LYS A 43 -4.356 7.049 6.760 1.00 0.00 N ATOM 0 H LYS A 43 -3.717 5.712 2.659 1.00 0.00 H new ATOM 0 HA LYS A 43 -4.982 3.286 2.623 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -5.994 6.106 2.747 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -7.106 4.751 2.751 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -6.609 5.256 5.063 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -5.790 3.753 4.685 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -3.648 4.819 4.532 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -4.354 6.417 4.396 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -5.238 5.130 6.872 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -3.488 5.120 6.775 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -4.452 7.149 7.791 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -3.454 7.467 6.454 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -5.142 7.541 6.290 1.00 0.00 H new ATOM 618 N GLN A 44 -5.980 5.007 0.004 1.00 0.00 N ATOM 619 CA GLN A 44 -6.499 4.872 -1.347 1.00 0.00 C ATOM 620 C GLN A 44 -5.457 4.211 -2.252 1.00 0.00 C ATOM 621 O GLN A 44 -5.799 3.656 -3.295 1.00 0.00 O ATOM 622 CB GLN A 44 -6.931 6.229 -1.907 1.00 0.00 C ATOM 623 CG GLN A 44 -8.445 6.415 -1.787 1.00 0.00 C ATOM 624 CD GLN A 44 -9.092 6.540 -3.168 1.00 0.00 C ATOM 625 OE1 GLN A 44 -8.636 7.271 -4.032 1.00 0.00 O ATOM 626 NE2 GLN A 44 -10.178 5.789 -3.326 1.00 0.00 N ATOM 0 H GLN A 44 -5.908 5.968 0.339 1.00 0.00 H new ATOM 0 HA GLN A 44 -7.381 4.233 -1.314 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -6.419 7.028 -1.370 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -6.633 6.306 -2.953 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -8.878 5.569 -1.254 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -8.660 7.307 -1.198 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -10.506 5.199 -2.561 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -10.683 5.803 -4.212 1.00 0.00 H new ATOM 635 N LYS A 45 -4.207 4.294 -1.820 1.00 0.00 N ATOM 636 CA LYS A 45 -3.114 3.711 -2.579 1.00 0.00 C ATOM 637 C LYS A 45 -3.122 2.192 -2.392 1.00 0.00 C ATOM 638 O LYS A 45 -2.690 1.452 -3.274 1.00 0.00 O ATOM 639 CB LYS A 45 -1.787 4.370 -2.198 1.00 0.00 C ATOM 640 CG LYS A 45 -1.095 4.961 -3.429 1.00 0.00 C ATOM 641 CD LYS A 45 -2.038 5.893 -4.193 1.00 0.00 C ATOM 642 CE LYS A 45 -2.440 5.284 -5.538 1.00 0.00 C ATOM 643 NZ LYS A 45 -1.970 6.136 -6.653 1.00 0.00 N ATOM 0 H LYS A 45 -3.927 4.756 -0.955 1.00 0.00 H new ATOM 0 HA LYS A 45 -3.245 3.902 -3.644 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -1.965 5.156 -1.464 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -1.134 3.635 -1.727 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -0.205 5.510 -3.122 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -0.762 4.157 -4.085 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -2.929 6.084 -3.595 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -1.551 6.855 -4.356 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -2.016 4.284 -5.633 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -3.524 5.177 -5.586 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -2.251 5.709 -7.559 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -2.394 7.082 -6.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -0.934 6.217 -6.615 1.00 0.00 H new ATOM 657 N ILE A 46 -3.617 1.773 -1.237 1.00 0.00 N ATOM 658 CA ILE A 46 -3.687 0.356 -0.922 1.00 0.00 C ATOM 659 C ILE A 46 -5.061 -0.184 -1.324 1.00 0.00 C ATOM 660 O ILE A 46 -5.160 -1.242 -1.943 1.00 0.00 O ATOM 661 CB ILE A 46 -3.337 0.115 0.547 1.00 0.00 C ATOM 662 CG1 ILE A 46 -2.097 0.915 0.954 1.00 0.00 C ATOM 663 CG2 ILE A 46 -3.174 -1.379 0.834 1.00 0.00 C ATOM 664 CD1 ILE A 46 -2.299 1.586 2.314 1.00 0.00 C ATOM 0 H ILE A 46 -3.974 2.390 -0.507 1.00 0.00 H new ATOM 0 HA ILE A 46 -2.945 -0.199 -1.497 1.00 0.00 H new ATOM 0 HB ILE A 46 -4.166 0.472 1.158 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -1.231 0.254 0.996 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -1.884 1.672 0.199 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -2.925 -1.522 1.886 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -4.106 -1.897 0.608 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -2.374 -1.784 0.214 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -1.403 2.148 2.579 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -3.151 2.264 2.262 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -2.487 0.825 3.071 1.00 0.00 H new ATOM 676 N HIS A 47 -6.088 0.567 -0.953 1.00 0.00 N ATOM 677 CA HIS A 47 -7.452 0.177 -1.267 1.00 0.00 C ATOM 678 C HIS A 47 -7.607 0.025 -2.781 1.00 0.00 C ATOM 679 O HIS A 47 -8.438 -0.752 -3.249 1.00 0.00 O ATOM 680 CB HIS A 47 -8.452 1.167 -0.665 1.00 0.00 C ATOM 681 CG HIS A 47 -9.714 1.334 -1.477 1.00 0.00 C ATOM 682 ND1 HIS A 47 -10.592 0.409 -1.960 1.00 0.00 N flip ATOM 683 CD2 HIS A 47 -10.190 2.571 -1.875 1.00 0.00 C flip ATOM 684 CE1 HIS A 47 -11.554 1.046 -2.617 1.00 0.00 C flip ATOM 685 NE2 HIS A 47 -11.306 2.387 -2.566 1.00 0.00 N flip ATOM 0 H HIS A 47 -6.003 1.443 -0.438 1.00 0.00 H new ATOM 0 HA HIS A 47 -7.670 -0.791 -0.816 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -8.719 0.834 0.338 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -7.968 2.138 -0.560 1.00 0.00 H new ATOM 0 HD1 HIS A 47 -10.522 -0.601 -1.837 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -9.730 3.524 -1.659 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -12.394 0.580 -3.110 1.00 0.00 H new ATOM 693 N SER A 48 -6.794 0.779 -3.506 1.00 0.00 N ATOM 694 CA SER A 48 -6.830 0.737 -4.958 1.00 0.00 C ATOM 695 C SER A 48 -6.230 -0.578 -5.459 1.00 0.00 C ATOM 696 O SER A 48 -6.369 -0.920 -6.632 1.00 0.00 O ATOM 697 CB SER A 48 -6.080 1.927 -5.562 1.00 0.00 C ATOM 698 OG SER A 48 -6.904 3.086 -5.655 1.00 0.00 O ATOM 0 H SER A 48 -6.106 1.423 -3.115 1.00 0.00 H new ATOM 0 HA SER A 48 -7.871 0.798 -5.276 1.00 0.00 H new ATOM 0 HB2 SER A 48 -5.205 2.152 -4.952 1.00 0.00 H new ATOM 0 HB3 SER A 48 -5.716 1.660 -6.554 1.00 0.00 H new ATOM 0 HG SER A 48 -6.775 3.644 -4.859 1.00 0.00 H new ATOM 704 N ILE A 49 -5.576 -1.279 -4.545 1.00 0.00 N ATOM 705 CA ILE A 49 -4.955 -2.550 -4.879 1.00 0.00 C ATOM 706 C ILE A 49 -5.663 -3.674 -4.121 1.00 0.00 C ATOM 707 O ILE A 49 -6.223 -4.583 -4.732 1.00 0.00 O ATOM 708 CB ILE A 49 -3.447 -2.492 -4.626 1.00 0.00 C ATOM 709 CG1 ILE A 49 -2.957 -1.044 -4.566 1.00 0.00 C ATOM 710 CG2 ILE A 49 -2.685 -3.313 -5.668 1.00 0.00 C ATOM 711 CD1 ILE A 49 -1.476 -0.982 -4.186 1.00 0.00 C ATOM 0 H ILE A 49 -5.462 -0.991 -3.573 1.00 0.00 H new ATOM 0 HA ILE A 49 -5.069 -2.762 -5.942 1.00 0.00 H new ATOM 0 HB ILE A 49 -3.246 -2.940 -3.653 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -3.108 -0.565 -5.533 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -3.547 -0.487 -3.838 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -1.616 -3.255 -5.466 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -3.008 -4.353 -5.619 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -2.888 -2.917 -6.663 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -1.153 0.058 -4.150 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -1.332 -1.440 -3.208 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -0.887 -1.520 -4.929 1.00 0.00 H new ATOM 723 N THR A 50 -5.616 -3.575 -2.800 1.00 0.00 N ATOM 724 CA THR A 50 -6.245 -4.573 -1.952 1.00 0.00 C ATOM 725 C THR A 50 -7.721 -4.734 -2.324 1.00 0.00 C ATOM 726 O THR A 50 -8.270 -5.832 -2.239 1.00 0.00 O ATOM 727 CB THR A 50 -6.028 -4.160 -0.495 1.00 0.00 C ATOM 728 OG1 THR A 50 -6.499 -2.816 -0.441 1.00 0.00 O ATOM 729 CG2 THR A 50 -4.546 -4.050 -0.133 1.00 0.00 C ATOM 0 H THR A 50 -5.152 -2.819 -2.297 1.00 0.00 H new ATOM 0 HA THR A 50 -5.796 -5.555 -2.097 1.00 0.00 H new ATOM 0 HB THR A 50 -6.510 -4.883 0.163 1.00 0.00 H new ATOM 0 HG1 THR A 50 -6.191 -2.329 -1.234 1.00 0.00 H new ATOM 0 HG21 THR A 50 -4.448 -3.754 0.911 1.00 0.00 H new ATOM 0 HG22 THR A 50 -4.062 -5.015 -0.284 1.00 0.00 H new ATOM 0 HG23 THR A 50 -4.071 -3.302 -0.768 1.00 0.00 H new ATOM 737 N GLY A 51 -8.321 -3.625 -2.729 1.00 0.00 N ATOM 738 CA GLY A 51 -9.722 -3.630 -3.115 1.00 0.00 C ATOM 739 C GLY A 51 -10.625 -3.391 -1.903 1.00 0.00 C ATOM 740 O GLY A 51 -11.737 -2.884 -2.043 1.00 0.00 O ATOM 0 H GLY A 51 -7.863 -2.716 -2.798 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -9.900 -2.858 -3.863 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -9.972 -4.585 -3.577 1.00 0.00 H new ATOM 744 N LEU A 52 -10.113 -3.767 -0.740 1.00 0.00 N ATOM 745 CA LEU A 52 -10.859 -3.600 0.495 1.00 0.00 C ATOM 746 C LEU A 52 -10.939 -2.112 0.841 1.00 0.00 C ATOM 747 O LEU A 52 -10.229 -1.296 0.255 1.00 0.00 O ATOM 748 CB LEU A 52 -10.252 -4.458 1.608 1.00 0.00 C ATOM 749 CG LEU A 52 -9.206 -3.771 2.489 1.00 0.00 C ATOM 750 CD1 LEU A 52 -9.525 -3.968 3.972 1.00 0.00 C ATOM 751 CD2 LEU A 52 -7.796 -4.248 2.138 1.00 0.00 C ATOM 0 H LEU A 52 -9.190 -4.187 -0.627 1.00 0.00 H new ATOM 0 HA LEU A 52 -11.882 -3.955 0.372 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -11.060 -4.813 2.247 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -9.795 -5.337 1.154 1.00 0.00 H new ATOM 0 HG LEU A 52 -9.242 -2.700 2.291 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -8.767 -3.470 4.577 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -10.503 -3.541 4.194 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -9.533 -5.033 4.204 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -7.072 -3.745 2.778 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -7.728 -5.325 2.290 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -7.582 -4.015 1.095 1.00 0.00 H new ATOM 763 N PRO A 53 -11.833 -1.795 1.815 1.00 0.00 N ATOM 764 CA PRO A 53 -12.016 -0.419 2.245 1.00 0.00 C ATOM 765 C PRO A 53 -10.848 0.041 3.120 1.00 0.00 C ATOM 766 O PRO A 53 -10.282 -0.750 3.872 1.00 0.00 O ATOM 767 CB PRO A 53 -13.347 -0.409 2.978 1.00 0.00 C ATOM 768 CG PRO A 53 -13.637 -1.858 3.336 1.00 0.00 C ATOM 769 CD PRO A 53 -12.692 -2.735 2.530 1.00 0.00 C ATOM 0 HA PRO A 53 -12.031 0.284 1.412 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -13.295 0.211 3.873 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -14.136 0.003 2.349 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -13.494 -2.023 4.404 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -14.674 -2.107 3.111 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -12.109 -3.390 3.178 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -13.239 -3.376 1.839 1.00 0.00 H new ATOM 777 N PRO A 54 -10.513 1.353 2.988 1.00 0.00 N ATOM 778 CA PRO A 54 -9.423 1.928 3.757 1.00 0.00 C ATOM 779 C PRO A 54 -9.835 2.144 5.215 1.00 0.00 C ATOM 780 O PRO A 54 -8.997 2.095 6.114 1.00 0.00 O ATOM 781 CB PRO A 54 -9.075 3.222 3.040 1.00 0.00 C ATOM 782 CG PRO A 54 -10.280 3.556 2.175 1.00 0.00 C ATOM 783 CD PRO A 54 -11.161 2.319 2.106 1.00 0.00 C ATOM 0 HA PRO A 54 -8.554 1.272 3.810 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -8.872 4.021 3.753 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -8.178 3.103 2.432 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -10.833 4.395 2.598 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -9.962 3.854 1.176 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -12.177 2.537 2.436 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -11.232 1.939 1.087 1.00 0.00 H new ATOM 791 N ALA A 55 -11.125 2.378 5.403 1.00 0.00 N ATOM 792 CA ALA A 55 -11.658 2.601 6.736 1.00 0.00 C ATOM 793 C ALA A 55 -11.423 1.354 7.591 1.00 0.00 C ATOM 794 O ALA A 55 -11.333 1.443 8.814 1.00 0.00 O ATOM 795 CB ALA A 55 -13.140 2.970 6.638 1.00 0.00 C ATOM 0 H ALA A 55 -11.817 2.418 4.655 1.00 0.00 H new ATOM 0 HA ALA A 55 -11.146 3.433 7.219 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -13.540 3.137 7.638 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -13.250 3.879 6.046 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -13.687 2.157 6.160 1.00 0.00 H new ATOM 801 N MET A 56 -11.330 0.220 6.912 1.00 0.00 N ATOM 802 CA MET A 56 -11.107 -1.044 7.594 1.00 0.00 C ATOM 803 C MET A 56 -9.617 -1.387 7.639 1.00 0.00 C ATOM 804 O MET A 56 -9.168 -2.103 8.533 1.00 0.00 O ATOM 805 CB MET A 56 -11.865 -2.157 6.867 1.00 0.00 C ATOM 806 CG MET A 56 -13.091 -2.599 7.669 1.00 0.00 C ATOM 807 SD MET A 56 -12.699 -4.048 8.634 1.00 0.00 S ATOM 808 CE MET A 56 -13.603 -3.679 10.128 1.00 0.00 C ATOM 0 H MET A 56 -11.405 0.150 5.897 1.00 0.00 H new ATOM 0 HA MET A 56 -11.471 -0.952 8.617 1.00 0.00 H new ATOM 0 HB2 MET A 56 -12.176 -1.807 5.883 1.00 0.00 H new ATOM 0 HB3 MET A 56 -11.204 -3.009 6.708 1.00 0.00 H new ATOM 0 HG2 MET A 56 -13.417 -1.792 8.325 1.00 0.00 H new ATOM 0 HG3 MET A 56 -13.919 -2.815 6.994 1.00 0.00 H new ATOM 0 HE1 MET A 56 -13.466 -4.488 10.845 1.00 0.00 H new ATOM 0 HE2 MET A 56 -13.233 -2.748 10.557 1.00 0.00 H new ATOM 0 HE3 MET A 56 -14.663 -3.575 9.896 1.00 0.00 H new ATOM 818 N GLN A 57 -8.891 -0.859 6.665 1.00 0.00 N ATOM 819 CA GLN A 57 -7.460 -1.100 6.583 1.00 0.00 C ATOM 820 C GLN A 57 -6.735 -0.382 7.722 1.00 0.00 C ATOM 821 O GLN A 57 -7.253 0.582 8.284 1.00 0.00 O ATOM 822 CB GLN A 57 -6.909 -0.668 5.223 1.00 0.00 C ATOM 823 CG GLN A 57 -7.158 -1.743 4.163 1.00 0.00 C ATOM 824 CD GLN A 57 -6.397 -1.428 2.874 1.00 0.00 C ATOM 825 OE1 GLN A 57 -5.179 -1.465 2.816 1.00 0.00 O ATOM 826 NE2 GLN A 57 -7.181 -1.117 1.845 1.00 0.00 N ATOM 0 H GLN A 57 -9.267 -0.265 5.926 1.00 0.00 H new ATOM 0 HA GLN A 57 -7.285 -2.171 6.686 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -7.380 0.266 4.916 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -5.840 -0.474 5.305 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -6.846 -2.715 4.545 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -8.225 -1.811 3.952 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -8.194 -1.105 1.961 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -6.769 -0.891 0.940 1.00 0.00 H new ATOM 835 N LYS A 58 -5.546 -0.879 8.031 1.00 0.00 N ATOM 836 CA LYS A 58 -4.744 -0.297 9.093 1.00 0.00 C ATOM 837 C LYS A 58 -3.333 -0.021 8.568 1.00 0.00 C ATOM 838 O LYS A 58 -2.478 -0.904 8.582 1.00 0.00 O ATOM 839 CB LYS A 58 -4.774 -1.188 10.337 1.00 0.00 C ATOM 840 CG LYS A 58 -5.788 -0.670 11.358 1.00 0.00 C ATOM 841 CD LYS A 58 -6.273 -1.798 12.270 1.00 0.00 C ATOM 842 CE LYS A 58 -5.662 -1.675 13.667 1.00 0.00 C ATOM 843 NZ LYS A 58 -5.996 -2.861 14.486 1.00 0.00 N ATOM 0 H LYS A 58 -5.119 -1.679 7.564 1.00 0.00 H new ATOM 0 HA LYS A 58 -5.162 0.660 9.405 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -5.029 -2.209 10.052 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -3.783 -1.222 10.789 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -5.334 0.118 11.959 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -6.638 -0.226 10.839 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -7.360 -1.771 12.341 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -6.006 -2.762 11.836 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -4.580 -1.573 13.589 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -6.033 -0.773 14.154 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -5.573 -2.761 15.431 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -7.029 -2.941 14.576 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -5.621 -3.716 14.028 1.00 0.00 H new ATOM 857 N VAL A 59 -3.134 1.209 8.118 1.00 0.00 N ATOM 858 CA VAL A 59 -1.842 1.613 7.590 1.00 0.00 C ATOM 859 C VAL A 59 -0.883 1.884 8.751 1.00 0.00 C ATOM 860 O VAL A 59 -1.029 2.877 9.462 1.00 0.00 O ATOM 861 CB VAL A 59 -2.010 2.817 6.660 1.00 0.00 C ATOM 862 CG1 VAL A 59 -0.741 3.055 5.838 1.00 0.00 C ATOM 863 CG2 VAL A 59 -3.228 2.641 5.750 1.00 0.00 C ATOM 0 H VAL A 59 -3.846 1.939 8.108 1.00 0.00 H new ATOM 0 HA VAL A 59 -1.408 0.813 6.990 1.00 0.00 H new ATOM 0 HB VAL A 59 -2.179 3.698 7.279 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -0.886 3.916 5.185 1.00 0.00 H new ATOM 0 HG12 VAL A 59 0.097 3.246 6.509 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -0.528 2.173 5.234 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -3.325 3.510 5.099 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -3.102 1.745 5.142 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -4.126 2.542 6.359 1.00 0.00 H new ATOM 873 N MET A 60 0.076 0.983 8.906 1.00 0.00 N ATOM 874 CA MET A 60 1.059 1.113 9.969 1.00 0.00 C ATOM 875 C MET A 60 2.393 0.486 9.561 1.00 0.00 C ATOM 876 O MET A 60 2.457 -0.705 9.259 1.00 0.00 O ATOM 877 CB MET A 60 0.537 0.426 11.233 1.00 0.00 C ATOM 878 CG MET A 60 -0.116 1.438 12.177 1.00 0.00 C ATOM 879 SD MET A 60 -0.253 0.744 13.816 1.00 0.00 S ATOM 880 CE MET A 60 1.474 0.505 14.197 1.00 0.00 C ATOM 0 H MET A 60 0.193 0.161 8.314 1.00 0.00 H new ATOM 0 HA MET A 60 1.221 2.174 10.161 1.00 0.00 H new ATOM 0 HB2 MET A 60 -0.187 -0.343 10.961 1.00 0.00 H new ATOM 0 HB3 MET A 60 1.358 -0.076 11.744 1.00 0.00 H new ATOM 0 HG2 MET A 60 0.476 2.353 12.209 1.00 0.00 H new ATOM 0 HG3 MET A 60 -1.104 1.710 11.805 1.00 0.00 H new ATOM 0 HE1 MET A 60 1.641 0.685 15.259 1.00 0.00 H new ATOM 0 HE2 MET A 60 1.762 -0.517 13.953 1.00 0.00 H new ATOM 0 HE3 MET A 60 2.075 1.201 13.612 1.00 0.00 H new ATOM 890 N TYR A 61 3.426 1.315 9.565 1.00 0.00 N ATOM 891 CA TYR A 61 4.756 0.857 9.199 1.00 0.00 C ATOM 892 C TYR A 61 5.776 1.213 10.283 1.00 0.00 C ATOM 893 O TYR A 61 6.222 2.356 10.369 1.00 0.00 O ATOM 894 CB TYR A 61 5.118 1.599 7.911 1.00 0.00 C ATOM 895 CG TYR A 61 6.606 1.549 7.562 1.00 0.00 C ATOM 896 CD1 TYR A 61 7.341 0.413 7.834 1.00 0.00 C ATOM 897 CD2 TYR A 61 7.215 2.640 6.974 1.00 0.00 C ATOM 898 CE1 TYR A 61 8.742 0.365 7.505 1.00 0.00 C ATOM 899 CE2 TYR A 61 8.616 2.592 6.645 1.00 0.00 C ATOM 900 CZ TYR A 61 9.310 1.457 6.926 1.00 0.00 C ATOM 901 OH TYR A 61 10.633 1.412 6.616 1.00 0.00 O ATOM 0 H TYR A 61 3.369 2.302 9.816 1.00 0.00 H new ATOM 0 HA TYR A 61 4.769 -0.226 9.075 1.00 0.00 H new ATOM 0 HB2 TYR A 61 4.547 1.173 7.086 1.00 0.00 H new ATOM 0 HB3 TYR A 61 4.812 2.641 8.006 1.00 0.00 H new ATOM 0 HD1 TYR A 61 6.865 -0.440 8.294 1.00 0.00 H new ATOM 0 HD2 TYR A 61 6.640 3.529 6.761 1.00 0.00 H new ATOM 0 HE1 TYR A 61 9.328 -0.518 7.713 1.00 0.00 H new ATOM 0 HE2 TYR A 61 9.105 3.438 6.185 1.00 0.00 H new ATOM 0 HH TYR A 61 10.902 2.261 6.207 1.00 0.00 H new ATOM 911 N LYS A 62 6.115 0.212 11.082 1.00 0.00 N ATOM 912 CA LYS A 62 7.074 0.405 12.156 1.00 0.00 C ATOM 913 C LYS A 62 6.690 1.649 12.960 1.00 0.00 C ATOM 914 O LYS A 62 7.539 2.262 13.606 1.00 0.00 O ATOM 915 CB LYS A 62 8.499 0.448 11.601 1.00 0.00 C ATOM 916 CG LYS A 62 9.020 -0.962 11.316 1.00 0.00 C ATOM 917 CD LYS A 62 10.539 -1.031 11.486 1.00 0.00 C ATOM 918 CE LYS A 62 11.252 -0.737 10.165 1.00 0.00 C ATOM 919 NZ LYS A 62 12.425 -1.625 10.001 1.00 0.00 N ATOM 0 H LYS A 62 5.743 -0.735 11.007 1.00 0.00 H new ATOM 0 HA LYS A 62 7.050 -0.440 12.844 1.00 0.00 H new ATOM 0 HB2 LYS A 62 8.519 1.039 10.685 1.00 0.00 H new ATOM 0 HB3 LYS A 62 9.156 0.945 12.315 1.00 0.00 H new ATOM 0 HG2 LYS A 62 8.543 -1.673 11.990 1.00 0.00 H new ATOM 0 HG3 LYS A 62 8.751 -1.255 10.301 1.00 0.00 H new ATOM 0 HD2 LYS A 62 10.857 -0.314 12.243 1.00 0.00 H new ATOM 0 HD3 LYS A 62 10.824 -2.020 11.845 1.00 0.00 H new ATOM 0 HE2 LYS A 62 10.562 -0.878 9.333 1.00 0.00 H new ATOM 0 HE3 LYS A 62 11.571 0.305 10.141 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 12.898 -1.413 9.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 13.090 -1.470 10.786 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 12.112 -2.617 10.003 1.00 0.00 H new ATOM 933 N GLY A 63 5.410 1.984 12.895 1.00 0.00 N ATOM 934 CA GLY A 63 4.903 3.144 13.609 1.00 0.00 C ATOM 935 C GLY A 63 3.698 3.749 12.886 1.00 0.00 C ATOM 936 O GLY A 63 3.548 3.584 11.676 1.00 0.00 O ATOM 0 H GLY A 63 4.709 1.473 12.359 1.00 0.00 H new ATOM 0 HA2 GLY A 63 4.618 2.857 14.621 1.00 0.00 H new ATOM 0 HA3 GLY A 63 5.690 3.892 13.700 1.00 0.00 H new ATOM 940 N LEU A 64 2.869 4.436 13.658 1.00 0.00 N ATOM 941 CA LEU A 64 1.682 5.067 13.106 1.00 0.00 C ATOM 942 C LEU A 64 2.084 5.966 11.936 1.00 0.00 C ATOM 943 O LEU A 64 3.127 6.617 11.979 1.00 0.00 O ATOM 944 CB LEU A 64 0.903 5.796 14.204 1.00 0.00 C ATOM 945 CG LEU A 64 0.035 4.918 15.107 1.00 0.00 C ATOM 946 CD1 LEU A 64 -1.352 4.708 14.497 1.00 0.00 C ATOM 947 CD2 LEU A 64 0.732 3.591 15.416 1.00 0.00 C ATOM 0 H LEU A 64 2.996 4.570 14.661 1.00 0.00 H new ATOM 0 HA LEU A 64 1.000 4.315 12.709 1.00 0.00 H new ATOM 0 HB2 LEU A 64 1.614 6.335 14.830 1.00 0.00 H new ATOM 0 HB3 LEU A 64 0.263 6.543 13.733 1.00 0.00 H new ATOM 0 HG LEU A 64 -0.105 5.437 16.055 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -1.949 4.080 15.159 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -1.844 5.673 14.370 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -1.253 4.221 13.527 1.00 0.00 H new ATOM 0 HD21 LEU A 64 0.093 2.986 16.060 1.00 0.00 H new ATOM 0 HD22 LEU A 64 0.922 3.055 14.486 1.00 0.00 H new ATOM 0 HD23 LEU A 64 1.677 3.786 15.923 1.00 0.00 H new ATOM 959 N VAL A 65 1.236 5.974 10.918 1.00 0.00 N ATOM 960 CA VAL A 65 1.490 6.783 9.738 1.00 0.00 C ATOM 961 C VAL A 65 0.567 8.003 9.753 1.00 0.00 C ATOM 962 O VAL A 65 -0.636 7.878 9.529 1.00 0.00 O ATOM 963 CB VAL A 65 1.336 5.931 8.477 1.00 0.00 C ATOM 964 CG1 VAL A 65 1.081 6.810 7.250 1.00 0.00 C ATOM 965 CG2 VAL A 65 2.559 5.036 8.266 1.00 0.00 C ATOM 0 H VAL A 65 0.372 5.433 10.886 1.00 0.00 H new ATOM 0 HA VAL A 65 2.516 7.152 9.741 1.00 0.00 H new ATOM 0 HB VAL A 65 0.469 5.285 8.613 1.00 0.00 H new ATOM 0 HG11 VAL A 65 0.975 6.180 6.367 1.00 0.00 H new ATOM 0 HG12 VAL A 65 0.166 7.384 7.398 1.00 0.00 H new ATOM 0 HG13 VAL A 65 1.920 7.492 7.111 1.00 0.00 H new ATOM 0 HG21 VAL A 65 2.423 4.441 7.363 1.00 0.00 H new ATOM 0 HG22 VAL A 65 3.450 5.656 8.162 1.00 0.00 H new ATOM 0 HG23 VAL A 65 2.677 4.373 9.123 1.00 0.00 H new ATOM 975 N PRO A 66 1.181 9.185 10.026 1.00 0.00 N ATOM 976 CA PRO A 66 0.427 10.426 10.073 1.00 0.00 C ATOM 977 C PRO A 66 0.063 10.901 8.664 1.00 0.00 C ATOM 978 O PRO A 66 0.887 10.840 7.753 1.00 0.00 O ATOM 979 CB PRO A 66 1.324 11.404 10.815 1.00 0.00 C ATOM 980 CG PRO A 66 2.725 10.817 10.748 1.00 0.00 C ATOM 981 CD PRO A 66 2.603 9.371 10.296 1.00 0.00 C ATOM 0 HA PRO A 66 -0.530 10.317 10.583 1.00 0.00 H new ATOM 0 HB2 PRO A 66 1.292 12.391 10.354 1.00 0.00 H new ATOM 0 HB3 PRO A 66 1.000 11.524 11.849 1.00 0.00 H new ATOM 0 HG2 PRO A 66 3.343 11.384 10.052 1.00 0.00 H new ATOM 0 HG3 PRO A 66 3.209 10.873 11.723 1.00 0.00 H new ATOM 0 HD2 PRO A 66 3.203 9.183 9.406 1.00 0.00 H new ATOM 0 HD3 PRO A 66 2.953 8.684 11.067 1.00 0.00 H new ATOM 989 N GLU A 67 -1.171 11.362 8.530 1.00 0.00 N ATOM 990 CA GLU A 67 -1.654 11.846 7.248 1.00 0.00 C ATOM 991 C GLU A 67 -1.231 13.301 7.036 1.00 0.00 C ATOM 992 O GLU A 67 -1.139 13.765 5.901 1.00 0.00 O ATOM 993 CB GLU A 67 -3.173 11.695 7.142 1.00 0.00 C ATOM 994 CG GLU A 67 -3.580 10.221 7.149 1.00 0.00 C ATOM 995 CD GLU A 67 -5.103 10.072 7.175 1.00 0.00 C ATOM 996 OE1 GLU A 67 -5.722 10.725 8.043 1.00 0.00 O ATOM 997 OE2 GLU A 67 -5.613 9.309 6.327 1.00 0.00 O ATOM 0 H GLU A 67 -1.852 11.411 9.288 1.00 0.00 H new ATOM 0 HA GLU A 67 -1.206 11.240 6.461 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -3.652 12.212 7.973 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -3.526 12.169 6.226 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -3.178 9.725 6.266 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -3.148 9.725 8.018 1.00 0.00 H new ATOM 1004 N ASP A 68 -0.986 13.980 8.147 1.00 0.00 N ATOM 1005 CA ASP A 68 -0.574 15.372 8.098 1.00 0.00 C ATOM 1006 C ASP A 68 0.852 15.459 7.551 1.00 0.00 C ATOM 1007 O ASP A 68 1.340 16.548 7.252 1.00 0.00 O ATOM 1008 CB ASP A 68 -0.585 16.000 9.493 1.00 0.00 C ATOM 1009 CG ASP A 68 -1.897 16.681 9.886 1.00 0.00 C ATOM 1010 OD1 ASP A 68 -2.902 16.424 9.188 1.00 0.00 O ATOM 1011 OD2 ASP A 68 -1.866 17.445 10.875 1.00 0.00 O ATOM 0 H ASP A 68 -1.065 13.592 9.087 1.00 0.00 H new ATOM 0 HA ASP A 68 -1.274 15.908 7.456 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -0.362 15.224 10.226 1.00 0.00 H new ATOM 0 HB3 ASP A 68 0.219 16.734 9.551 1.00 0.00 H new ATOM 1016 N LYS A 69 1.480 14.298 7.437 1.00 0.00 N ATOM 1017 CA LYS A 69 2.840 14.230 6.932 1.00 0.00 C ATOM 1018 C LYS A 69 2.914 13.181 5.820 1.00 0.00 C ATOM 1019 O LYS A 69 2.348 12.097 5.946 1.00 0.00 O ATOM 1020 CB LYS A 69 3.825 13.983 8.076 1.00 0.00 C ATOM 1021 CG LYS A 69 3.671 15.041 9.170 1.00 0.00 C ATOM 1022 CD LYS A 69 4.916 15.927 9.256 1.00 0.00 C ATOM 1023 CE LYS A 69 4.726 17.042 10.287 1.00 0.00 C ATOM 1024 NZ LYS A 69 4.591 16.473 11.647 1.00 0.00 N ATOM 0 H LYS A 69 1.072 13.397 7.686 1.00 0.00 H new ATOM 0 HA LYS A 69 3.131 15.184 6.492 1.00 0.00 H new ATOM 0 HB2 LYS A 69 3.657 12.992 8.497 1.00 0.00 H new ATOM 0 HB3 LYS A 69 4.845 13.998 7.692 1.00 0.00 H new ATOM 0 HG2 LYS A 69 2.796 15.657 8.964 1.00 0.00 H new ATOM 0 HG3 LYS A 69 3.500 14.554 10.130 1.00 0.00 H new ATOM 0 HD2 LYS A 69 5.780 15.320 9.526 1.00 0.00 H new ATOM 0 HD3 LYS A 69 5.125 16.362 8.279 1.00 0.00 H new ATOM 0 HE2 LYS A 69 5.576 17.724 10.254 1.00 0.00 H new ATOM 0 HE3 LYS A 69 3.839 17.626 10.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 4.650 17.237 12.350 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 3.672 15.993 11.733 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 5.356 15.788 11.814 1.00 0.00 H new ATOM 1038 N THR A 70 3.618 13.542 4.756 1.00 0.00 N ATOM 1039 CA THR A 70 3.773 12.646 3.623 1.00 0.00 C ATOM 1040 C THR A 70 4.738 11.510 3.970 1.00 0.00 C ATOM 1041 O THR A 70 5.402 11.549 5.005 1.00 0.00 O ATOM 1042 CB THR A 70 4.222 13.478 2.420 1.00 0.00 C ATOM 1043 OG1 THR A 70 5.567 13.836 2.727 1.00 0.00 O ATOM 1044 CG2 THR A 70 3.491 14.820 2.331 1.00 0.00 C ATOM 0 H THR A 70 4.087 14.442 4.655 1.00 0.00 H new ATOM 0 HA THR A 70 2.829 12.163 3.369 1.00 0.00 H new ATOM 0 HB THR A 70 4.054 12.911 1.504 1.00 0.00 H new ATOM 0 HG1 THR A 70 5.591 14.752 3.074 1.00 0.00 H new ATOM 0 HG21 THR A 70 3.847 15.371 1.460 1.00 0.00 H new ATOM 0 HG22 THR A 70 2.419 14.645 2.237 1.00 0.00 H new ATOM 0 HG23 THR A 70 3.686 15.401 3.232 1.00 0.00 H new ATOM 1052 N LEU A 71 4.785 10.526 3.084 1.00 0.00 N ATOM 1053 CA LEU A 71 5.657 9.381 3.284 1.00 0.00 C ATOM 1054 C LEU A 71 7.082 9.871 3.547 1.00 0.00 C ATOM 1055 O LEU A 71 7.664 9.569 4.588 1.00 0.00 O ATOM 1056 CB LEU A 71 5.548 8.412 2.104 1.00 0.00 C ATOM 1057 CG LEU A 71 4.132 7.983 1.718 1.00 0.00 C ATOM 1058 CD1 LEU A 71 3.942 8.023 0.200 1.00 0.00 C ATOM 1059 CD2 LEU A 71 3.796 6.609 2.302 1.00 0.00 C ATOM 0 H LEU A 71 4.234 10.498 2.226 1.00 0.00 H new ATOM 0 HA LEU A 71 5.347 8.814 4.162 1.00 0.00 H new ATOM 0 HB2 LEU A 71 6.016 8.875 1.235 1.00 0.00 H new ATOM 0 HB3 LEU A 71 6.126 7.518 2.339 1.00 0.00 H new ATOM 0 HG LEU A 71 3.430 8.696 2.150 1.00 0.00 H new ATOM 0 HD11 LEU A 71 2.927 7.713 -0.048 1.00 0.00 H new ATOM 0 HD12 LEU A 71 4.110 9.038 -0.161 1.00 0.00 H new ATOM 0 HD13 LEU A 71 4.653 7.346 -0.274 1.00 0.00 H new ATOM 0 HD21 LEU A 71 2.783 6.328 2.012 1.00 0.00 H new ATOM 0 HD22 LEU A 71 4.501 5.870 1.921 1.00 0.00 H new ATOM 0 HD23 LEU A 71 3.864 6.649 3.389 1.00 0.00 H new ATOM 1071 N ARG A 72 7.604 10.619 2.586 1.00 0.00 N ATOM 1072 CA ARG A 72 8.950 11.154 2.701 1.00 0.00 C ATOM 1073 C ARG A 72 9.102 11.932 4.010 1.00 0.00 C ATOM 1074 O ARG A 72 10.218 12.161 4.474 1.00 0.00 O ATOM 1075 CB ARG A 72 9.279 12.077 1.526 1.00 0.00 C ATOM 1076 CG ARG A 72 10.757 12.470 1.534 1.00 0.00 C ATOM 1077 CD ARG A 72 10.929 13.963 1.246 1.00 0.00 C ATOM 1078 NE ARG A 72 11.342 14.162 -0.161 1.00 0.00 N ATOM 1079 CZ ARG A 72 11.706 15.344 -0.677 1.00 0.00 C ATOM 1080 NH1 ARG A 72 11.709 16.440 0.094 1.00 0.00 N ATOM 1081 NH2 ARG A 72 12.066 15.431 -1.965 1.00 0.00 N ATOM 0 H ARG A 72 7.119 10.867 1.724 1.00 0.00 H new ATOM 0 HA ARG A 72 9.643 10.312 2.692 1.00 0.00 H new ATOM 0 HB2 ARG A 72 9.037 11.577 0.588 1.00 0.00 H new ATOM 0 HB3 ARG A 72 8.661 12.973 1.579 1.00 0.00 H new ATOM 0 HG2 ARG A 72 11.196 12.230 2.503 1.00 0.00 H new ATOM 0 HG3 ARG A 72 11.296 11.887 0.787 1.00 0.00 H new ATOM 0 HD2 ARG A 72 9.994 14.489 1.437 1.00 0.00 H new ATOM 0 HD3 ARG A 72 11.676 14.388 1.917 1.00 0.00 H new ATOM 0 HE ARG A 72 11.350 13.349 -0.777 1.00 0.00 H new ATOM 0 HH11 ARG A 72 11.434 16.375 1.074 1.00 0.00 H new ATOM 0 HH12 ARG A 72 11.986 17.339 -0.299 1.00 0.00 H new ATOM 0 HH21 ARG A 72 12.063 14.597 -2.553 1.00 0.00 H new ATOM 0 HH22 ARG A 72 12.343 16.331 -2.357 1.00 0.00 H new ATOM 1095 N GLU A 73 7.964 12.317 4.568 1.00 0.00 N ATOM 1096 CA GLU A 73 7.956 13.065 5.813 1.00 0.00 C ATOM 1097 C GLU A 73 7.816 12.113 7.003 1.00 0.00 C ATOM 1098 O GLU A 73 8.368 12.365 8.073 1.00 0.00 O ATOM 1099 CB GLU A 73 6.842 14.114 5.817 1.00 0.00 C ATOM 1100 CG GLU A 73 7.254 15.354 5.021 1.00 0.00 C ATOM 1101 CD GLU A 73 6.179 16.440 5.102 1.00 0.00 C ATOM 1102 OE1 GLU A 73 6.229 17.216 6.080 1.00 0.00 O ATOM 1103 OE2 GLU A 73 5.332 16.468 4.183 1.00 0.00 O ATOM 0 H GLU A 73 7.040 12.125 4.180 1.00 0.00 H new ATOM 0 HA GLU A 73 8.906 13.592 5.903 1.00 0.00 H new ATOM 0 HB2 GLU A 73 5.935 13.688 5.389 1.00 0.00 H new ATOM 0 HB3 GLU A 73 6.608 14.397 6.843 1.00 0.00 H new ATOM 0 HG2 GLU A 73 8.197 15.741 5.407 1.00 0.00 H new ATOM 0 HG3 GLU A 73 7.423 15.082 3.979 1.00 0.00 H new ATOM 1110 N ILE A 74 7.075 11.038 6.776 1.00 0.00 N ATOM 1111 CA ILE A 74 6.855 10.047 7.816 1.00 0.00 C ATOM 1112 C ILE A 74 8.044 9.085 7.856 1.00 0.00 C ATOM 1113 O ILE A 74 8.038 8.116 8.614 1.00 0.00 O ATOM 1114 CB ILE A 74 5.508 9.351 7.616 1.00 0.00 C ATOM 1115 CG1 ILE A 74 5.644 8.151 6.677 1.00 0.00 C ATOM 1116 CG2 ILE A 74 4.446 10.340 7.132 1.00 0.00 C ATOM 1117 CD1 ILE A 74 5.666 6.839 7.464 1.00 0.00 C ATOM 0 H ILE A 74 6.619 10.832 5.887 1.00 0.00 H new ATOM 0 HA ILE A 74 6.798 10.526 8.793 1.00 0.00 H new ATOM 0 HB ILE A 74 5.176 8.968 8.581 1.00 0.00 H new ATOM 0 HG12 ILE A 74 4.814 8.142 5.970 1.00 0.00 H new ATOM 0 HG13 ILE A 74 6.559 8.244 6.092 1.00 0.00 H new ATOM 0 HG21 ILE A 74 3.498 9.819 6.998 1.00 0.00 H new ATOM 0 HG22 ILE A 74 4.323 11.132 7.870 1.00 0.00 H new ATOM 0 HG23 ILE A 74 4.759 10.774 6.182 1.00 0.00 H new ATOM 0 HD11 ILE A 74 5.763 6.002 6.773 1.00 0.00 H new ATOM 0 HD12 ILE A 74 6.511 6.842 8.152 1.00 0.00 H new ATOM 0 HD13 ILE A 74 4.739 6.738 8.028 1.00 0.00 H new ATOM 1129 N LYS A 75 9.037 9.386 7.032 1.00 0.00 N ATOM 1130 CA LYS A 75 10.230 8.560 6.964 1.00 0.00 C ATOM 1131 C LYS A 75 9.925 7.296 6.158 1.00 0.00 C ATOM 1132 O LYS A 75 9.761 6.218 6.727 1.00 0.00 O ATOM 1133 CB LYS A 75 10.768 8.279 8.369 1.00 0.00 C ATOM 1134 CG LYS A 75 10.813 9.560 9.205 1.00 0.00 C ATOM 1135 CD LYS A 75 12.085 10.359 8.916 1.00 0.00 C ATOM 1136 CE LYS A 75 11.927 11.817 9.352 1.00 0.00 C ATOM 1137 NZ LYS A 75 12.627 12.719 8.409 1.00 0.00 N ATOM 0 H LYS A 75 9.040 10.191 6.406 1.00 0.00 H new ATOM 0 HA LYS A 75 11.029 9.087 6.441 1.00 0.00 H new ATOM 0 HB2 LYS A 75 10.137 7.540 8.863 1.00 0.00 H new ATOM 0 HB3 LYS A 75 11.768 7.850 8.300 1.00 0.00 H new ATOM 0 HG2 LYS A 75 9.938 10.172 8.987 1.00 0.00 H new ATOM 0 HG3 LYS A 75 10.770 9.309 10.265 1.00 0.00 H new ATOM 0 HD2 LYS A 75 12.929 9.909 9.439 1.00 0.00 H new ATOM 0 HD3 LYS A 75 12.311 10.317 7.851 1.00 0.00 H new ATOM 0 HE2 LYS A 75 10.869 12.077 9.396 1.00 0.00 H new ATOM 0 HE3 LYS A 75 12.329 11.948 10.356 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 12.510 13.705 8.720 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 13.639 12.481 8.387 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 12.224 12.606 7.457 1.00 0.00 H new ATOM 1151 N VAL A 76 9.859 7.471 4.847 1.00 0.00 N ATOM 1152 CA VAL A 76 9.577 6.358 3.957 1.00 0.00 C ATOM 1153 C VAL A 76 10.616 6.331 2.834 1.00 0.00 C ATOM 1154 O VAL A 76 11.148 7.372 2.451 1.00 0.00 O ATOM 1155 CB VAL A 76 8.140 6.453 3.439 1.00 0.00 C ATOM 1156 CG1 VAL A 76 7.933 5.542 2.227 1.00 0.00 C ATOM 1157 CG2 VAL A 76 7.136 6.129 4.547 1.00 0.00 C ATOM 0 H VAL A 76 9.996 8.367 4.379 1.00 0.00 H new ATOM 0 HA VAL A 76 9.654 5.412 4.493 1.00 0.00 H new ATOM 0 HB VAL A 76 7.966 7.480 3.119 1.00 0.00 H new ATOM 0 HG11 VAL A 76 6.904 5.628 1.879 1.00 0.00 H new ATOM 0 HG12 VAL A 76 8.613 5.839 1.428 1.00 0.00 H new ATOM 0 HG13 VAL A 76 8.135 4.509 2.510 1.00 0.00 H new ATOM 0 HG21 VAL A 76 6.123 6.204 4.153 1.00 0.00 H new ATOM 0 HG22 VAL A 76 7.310 5.116 4.911 1.00 0.00 H new ATOM 0 HG23 VAL A 76 7.259 6.836 5.368 1.00 0.00 H new ATOM 1167 N THR A 77 10.875 5.130 2.339 1.00 0.00 N ATOM 1168 CA THR A 77 11.842 4.954 1.268 1.00 0.00 C ATOM 1169 C THR A 77 11.526 3.689 0.467 1.00 0.00 C ATOM 1170 O THR A 77 10.462 3.095 0.632 1.00 0.00 O ATOM 1171 CB THR A 77 13.240 4.947 1.889 1.00 0.00 C ATOM 1172 OG1 THR A 77 13.113 4.089 3.020 1.00 0.00 O ATOM 1173 CG2 THR A 77 13.621 6.302 2.490 1.00 0.00 C ATOM 0 H THR A 77 10.432 4.269 2.660 1.00 0.00 H new ATOM 0 HA THR A 77 11.793 5.775 0.552 1.00 0.00 H new ATOM 0 HB THR A 77 13.972 4.667 1.131 1.00 0.00 H new ATOM 0 HG1 THR A 77 13.975 4.026 3.481 1.00 0.00 H new ATOM 0 HG21 THR A 77 14.622 6.242 2.917 1.00 0.00 H new ATOM 0 HG22 THR A 77 13.604 7.064 1.710 1.00 0.00 H new ATOM 0 HG23 THR A 77 12.908 6.567 3.271 1.00 0.00 H new ATOM 1181 N SER A 78 12.470 3.315 -0.383 1.00 0.00 N ATOM 1182 CA SER A 78 12.306 2.132 -1.211 1.00 0.00 C ATOM 1183 C SER A 78 12.539 0.872 -0.374 1.00 0.00 C ATOM 1184 O SER A 78 13.668 0.582 0.017 1.00 0.00 O ATOM 1185 CB SER A 78 13.261 2.159 -2.406 1.00 0.00 C ATOM 1186 OG SER A 78 14.607 1.893 -2.020 1.00 0.00 O ATOM 0 H SER A 78 13.352 3.810 -0.517 1.00 0.00 H new ATOM 0 HA SER A 78 11.286 2.122 -1.596 1.00 0.00 H new ATOM 0 HB2 SER A 78 12.942 1.421 -3.142 1.00 0.00 H new ATOM 0 HB3 SER A 78 13.209 3.134 -2.890 1.00 0.00 H new ATOM 0 HG SER A 78 14.628 1.608 -1.082 1.00 0.00 H new ATOM 1192 N GLY A 79 11.451 0.158 -0.123 1.00 0.00 N ATOM 1193 CA GLY A 79 11.522 -1.063 0.660 1.00 0.00 C ATOM 1194 C GLY A 79 10.734 -0.925 1.964 1.00 0.00 C ATOM 1195 O GLY A 79 10.882 -1.741 2.873 1.00 0.00 O ATOM 0 H GLY A 79 10.516 0.402 -0.448 1.00 0.00 H new ATOM 0 HA2 GLY A 79 11.126 -1.896 0.078 1.00 0.00 H new ATOM 0 HA3 GLY A 79 12.563 -1.296 0.883 1.00 0.00 H new ATOM 1199 N ALA A 80 9.913 0.113 2.015 1.00 0.00 N ATOM 1200 CA ALA A 80 9.101 0.369 3.192 1.00 0.00 C ATOM 1201 C ALA A 80 7.988 -0.679 3.276 1.00 0.00 C ATOM 1202 O ALA A 80 7.153 -0.776 2.378 1.00 0.00 O ATOM 1203 CB ALA A 80 8.554 1.797 3.136 1.00 0.00 C ATOM 0 H ALA A 80 9.793 0.787 1.259 1.00 0.00 H new ATOM 0 HA ALA A 80 9.702 0.286 4.098 1.00 0.00 H new ATOM 0 HB1 ALA A 80 7.945 1.988 4.019 1.00 0.00 H new ATOM 0 HB2 ALA A 80 9.384 2.504 3.107 1.00 0.00 H new ATOM 0 HB3 ALA A 80 7.943 1.918 2.241 1.00 0.00 H new ATOM 1209 N LYS A 81 8.013 -1.436 4.363 1.00 0.00 N ATOM 1210 CA LYS A 81 7.017 -2.472 4.576 1.00 0.00 C ATOM 1211 C LYS A 81 5.659 -1.821 4.842 1.00 0.00 C ATOM 1212 O LYS A 81 5.584 -0.764 5.466 1.00 0.00 O ATOM 1213 CB LYS A 81 7.468 -3.429 5.682 1.00 0.00 C ATOM 1214 CG LYS A 81 6.869 -4.822 5.479 1.00 0.00 C ATOM 1215 CD LYS A 81 5.982 -5.216 6.662 1.00 0.00 C ATOM 1216 CE LYS A 81 6.812 -5.841 7.785 1.00 0.00 C ATOM 1217 NZ LYS A 81 5.949 -6.640 8.684 1.00 0.00 N ATOM 0 H LYS A 81 8.707 -1.353 5.106 1.00 0.00 H new ATOM 0 HA LYS A 81 6.907 -3.085 3.681 1.00 0.00 H new ATOM 0 HB2 LYS A 81 8.556 -3.495 5.690 1.00 0.00 H new ATOM 0 HB3 LYS A 81 7.165 -3.037 6.653 1.00 0.00 H new ATOM 0 HG2 LYS A 81 6.284 -4.840 4.560 1.00 0.00 H new ATOM 0 HG3 LYS A 81 7.670 -5.552 5.361 1.00 0.00 H new ATOM 0 HD2 LYS A 81 5.459 -4.337 7.038 1.00 0.00 H new ATOM 0 HD3 LYS A 81 5.221 -5.922 6.331 1.00 0.00 H new ATOM 0 HE2 LYS A 81 7.590 -6.475 7.360 1.00 0.00 H new ATOM 0 HE3 LYS A 81 7.313 -5.058 8.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 6.494 -6.930 9.521 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 5.134 -6.067 8.983 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 5.611 -7.485 8.181 1.00 0.00 H new ATOM 1231 N ILE A 82 4.617 -2.480 4.354 1.00 0.00 N ATOM 1232 CA ILE A 82 3.265 -1.978 4.531 1.00 0.00 C ATOM 1233 C ILE A 82 2.335 -3.143 4.873 1.00 0.00 C ATOM 1234 O ILE A 82 2.107 -4.024 4.046 1.00 0.00 O ATOM 1235 CB ILE A 82 2.825 -1.180 3.302 1.00 0.00 C ATOM 1236 CG1 ILE A 82 3.876 -0.136 2.920 1.00 0.00 C ATOM 1237 CG2 ILE A 82 1.447 -0.552 3.521 1.00 0.00 C ATOM 1238 CD1 ILE A 82 3.874 1.032 3.909 1.00 0.00 C ATOM 0 H ILE A 82 4.682 -3.357 3.837 1.00 0.00 H new ATOM 0 HA ILE A 82 3.223 -1.280 5.367 1.00 0.00 H new ATOM 0 HB ILE A 82 2.736 -1.869 2.462 1.00 0.00 H new ATOM 0 HG12 ILE A 82 4.863 -0.599 2.900 1.00 0.00 H new ATOM 0 HG13 ILE A 82 3.677 0.234 1.914 1.00 0.00 H new ATOM 0 HG21 ILE A 82 1.158 0.010 2.633 1.00 0.00 H new ATOM 0 HG22 ILE A 82 0.715 -1.337 3.708 1.00 0.00 H new ATOM 0 HG23 ILE A 82 1.485 0.120 4.378 1.00 0.00 H new ATOM 0 HD11 ILE A 82 4.630 1.760 3.614 1.00 0.00 H new ATOM 0 HD12 ILE A 82 2.893 1.508 3.908 1.00 0.00 H new ATOM 0 HD13 ILE A 82 4.097 0.662 4.910 1.00 0.00 H new ATOM 1250 N MET A 83 1.821 -3.109 6.094 1.00 0.00 N ATOM 1251 CA MET A 83 0.920 -4.151 6.557 1.00 0.00 C ATOM 1252 C MET A 83 -0.538 -3.772 6.292 1.00 0.00 C ATOM 1253 O MET A 83 -0.912 -2.607 6.413 1.00 0.00 O ATOM 1254 CB MET A 83 1.125 -4.375 8.056 1.00 0.00 C ATOM 1255 CG MET A 83 0.734 -5.799 8.456 1.00 0.00 C ATOM 1256 SD MET A 83 2.042 -6.546 9.414 1.00 0.00 S ATOM 1257 CE MET A 83 2.523 -7.861 8.307 1.00 0.00 C ATOM 0 H MET A 83 2.012 -2.376 6.777 1.00 0.00 H new ATOM 0 HA MET A 83 1.143 -5.067 6.010 1.00 0.00 H new ATOM 0 HB2 MET A 83 2.168 -4.194 8.315 1.00 0.00 H new ATOM 0 HB3 MET A 83 0.528 -3.658 8.620 1.00 0.00 H new ATOM 0 HG2 MET A 83 -0.189 -5.782 9.036 1.00 0.00 H new ATOM 0 HG3 MET A 83 0.539 -6.395 7.565 1.00 0.00 H new ATOM 0 HE1 MET A 83 2.627 -8.790 8.868 1.00 0.00 H new ATOM 0 HE2 MET A 83 1.761 -7.985 7.537 1.00 0.00 H new ATOM 0 HE3 MET A 83 3.475 -7.612 7.838 1.00 0.00 H new ATOM 1267 N VAL A 84 -1.322 -4.779 5.935 1.00 0.00 N ATOM 1268 CA VAL A 84 -2.731 -4.566 5.652 1.00 0.00 C ATOM 1269 C VAL A 84 -3.572 -5.451 6.574 1.00 0.00 C ATOM 1270 O VAL A 84 -3.285 -6.636 6.735 1.00 0.00 O ATOM 1271 CB VAL A 84 -3.010 -4.815 4.168 1.00 0.00 C ATOM 1272 CG1 VAL A 84 -4.459 -4.468 3.817 1.00 0.00 C ATOM 1273 CG2 VAL A 84 -2.031 -4.035 3.288 1.00 0.00 C ATOM 0 H VAL A 84 -1.008 -5.744 5.835 1.00 0.00 H new ATOM 0 HA VAL A 84 -3.008 -3.531 5.853 1.00 0.00 H new ATOM 0 HB VAL A 84 -2.863 -5.877 3.973 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -4.631 -4.654 2.757 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -5.135 -5.086 4.408 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -4.645 -3.416 4.036 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -2.251 -4.229 2.238 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -2.132 -2.968 3.488 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -1.012 -4.351 3.510 1.00 0.00 H new ATOM 1283 N VAL A 85 -4.593 -4.840 7.157 1.00 0.00 N ATOM 1284 CA VAL A 85 -5.478 -5.558 8.060 1.00 0.00 C ATOM 1285 C VAL A 85 -6.902 -5.526 7.503 1.00 0.00 C ATOM 1286 O VAL A 85 -7.243 -4.651 6.709 1.00 0.00 O ATOM 1287 CB VAL A 85 -5.373 -4.972 9.470 1.00 0.00 C ATOM 1288 CG1 VAL A 85 -6.125 -5.841 10.481 1.00 0.00 C ATOM 1289 CG2 VAL A 85 -3.911 -4.792 9.882 1.00 0.00 C ATOM 0 H VAL A 85 -4.827 -3.857 7.022 1.00 0.00 H new ATOM 0 HA VAL A 85 -5.182 -6.604 8.135 1.00 0.00 H new ATOM 0 HB VAL A 85 -5.841 -3.988 9.460 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -6.035 -5.403 11.475 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -7.177 -5.895 10.202 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -5.699 -6.844 10.487 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -3.865 -4.374 10.888 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -3.407 -5.758 9.867 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -3.417 -4.115 9.185 1.00 0.00 H new