USER MOD reduce.3.24.130724 H: found=0, std=0, add=754, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 748 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 46 MET CE :methyl -140:sc= 0 (180deg=-0.0737) USER MOD Set 1.2: A 74 MET CE :methyl -147:sc= -1.18 (180deg=-2.25) USER MOD Set 2.1: A 18 CYS SG : rot 70:sc= 1.02 USER MOD Set 2.2: A 21 CYS SG : rot -51:sc= -2.14 USER MOD Set 2.3: A 34 HIS :FLIP no HE2:sc= -0.297 F(o=-5.4,f=-3.9) USER MOD Set 2.4: A 35 CYS SG : rot 63:sc= 0.269 USER MOD Set 2.5: A 39 HIS : no HD1:sc= -2.73! C(o=-3.9!,f=-4.9!) USER MOD Single : A 14 GLN : amide:sc= -2.48! C(o=-2.5!,f=-2.5!) USER MOD Single : A 15 HIS : no HD1:sc= -1.33 K(o=-1.3,f=-3.3!) USER MOD Single : A 16 THR OG1 : rot 130:sc= -0.0145 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot -71:sc= 0.908 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 147:sc= -0.544 (180deg=-1.03) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 ASN : amide:sc= -0.558 K(o=-0.56,f=-1.9) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 48 HIS : no HD1:sc= -0.0683 X(o=-0.068,f=0.0015) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 HIS : no HE2:sc= -2.28 X(o=-2.3,f=-2.3!) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 TYR OH : rot 172:sc= 0.991 USER MOD Single : A 59 LYS NZ :NH3+ 170:sc= -0.103 (180deg=-0.202) USER MOD Single : A 62 ASN : amide:sc= -2.5 K(o=-2.5,f=-6!) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 ASN : amide:sc= -0.0219 K(o=-0.022,f=-0.74) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 TYR OH : rot 30:sc= -0.0222 USER MOD Single : A 75 ASN : amide:sc= -0.448 K(o=-0.45,f=-1.1) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 ASN :FLIP amide:sc= -3.66! C(o=-5.3!,f=-3.7!) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ 157:sc= -0.0986 (180deg=-0.59) USER MOD Single : A 100 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD ----------------------------------------------------------------- ATOM 153 N GLN A 14 2.846 9.564 16.695 1.00 0.00 N ATOM 154 CA GLN A 14 2.393 9.782 15.326 1.00 0.00 C ATOM 155 C GLN A 14 1.662 8.554 14.793 1.00 0.00 C ATOM 156 O GLN A 14 2.219 7.457 14.749 1.00 0.00 O ATOM 157 CB GLN A 14 3.580 10.116 14.420 1.00 0.00 C ATOM 158 CG GLN A 14 4.652 9.038 14.399 1.00 0.00 C ATOM 159 CD GLN A 14 5.203 8.736 15.778 1.00 0.00 C ATOM 160 OE1 GLN A 14 5.762 9.610 16.441 1.00 0.00 O ATOM 161 NE2 GLN A 14 5.049 7.492 16.219 1.00 0.00 N ATOM 0 HA GLN A 14 1.700 10.623 15.329 1.00 0.00 H new ATOM 0 HB2 GLN A 14 3.218 10.276 13.405 1.00 0.00 H new ATOM 0 HB3 GLN A 14 4.026 11.054 14.751 1.00 0.00 H new ATOM 0 HG2 GLN A 14 4.236 8.126 13.970 1.00 0.00 H new ATOM 0 HG3 GLN A 14 5.467 9.354 13.748 1.00 0.00 H new ATOM 0 HE21 GLN A 14 4.579 6.799 15.636 1.00 0.00 H new ATOM 0 HE22 GLN A 14 5.400 7.230 17.140 1.00 0.00 H new ATOM 170 N HIS A 15 0.410 8.746 14.390 1.00 0.00 N ATOM 171 CA HIS A 15 -0.398 7.654 13.859 1.00 0.00 C ATOM 172 C HIS A 15 -0.935 7.998 12.473 1.00 0.00 C ATOM 173 O HIS A 15 -1.276 9.148 12.195 1.00 0.00 O ATOM 174 CB HIS A 15 -1.558 7.344 14.806 1.00 0.00 C ATOM 175 CG HIS A 15 -1.119 6.919 16.173 1.00 0.00 C ATOM 176 ND1 HIS A 15 -0.209 7.631 16.926 1.00 0.00 N ATOM 177 CD2 HIS A 15 -1.472 5.850 16.924 1.00 0.00 C ATOM 178 CE1 HIS A 15 -0.019 7.017 18.080 1.00 0.00 C ATOM 179 NE2 HIS A 15 -0.774 5.933 18.104 1.00 0.00 N ATOM 0 H HIS A 15 -0.067 9.647 14.421 1.00 0.00 H new ATOM 0 HA HIS A 15 0.238 6.773 13.773 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -2.190 8.228 14.895 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -2.172 6.556 14.369 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -2.172 5.076 16.647 1.00 0.00 H new ATOM 0 HE1 HIS A 15 0.641 7.345 18.869 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -0.829 5.266 18.874 1.00 0.00 H new ATOM 187 N THR A 16 -1.007 6.994 11.605 1.00 0.00 N ATOM 188 CA THR A 16 -1.499 7.190 10.248 1.00 0.00 C ATOM 189 C THR A 16 -2.789 6.413 10.013 1.00 0.00 C ATOM 190 O THR A 16 -2.862 5.203 10.232 1.00 0.00 O ATOM 191 CB THR A 16 -0.455 6.756 9.202 1.00 0.00 C ATOM 192 OG1 THR A 16 -1.028 6.798 7.891 1.00 0.00 O ATOM 193 CG2 THR A 16 0.054 5.353 9.495 1.00 0.00 C ATOM 0 H THR A 16 -0.730 6.036 11.819 1.00 0.00 H new ATOM 0 HA THR A 16 -1.694 8.256 10.135 1.00 0.00 H new ATOM 0 HB THR A 16 0.386 7.448 9.252 1.00 0.00 H new ATOM 0 HG1 THR A 16 -0.435 7.297 7.291 1.00 0.00 H new ATOM 0 HG21 THR A 16 0.790 5.069 8.743 1.00 0.00 H new ATOM 0 HG22 THR A 16 0.517 5.333 10.482 1.00 0.00 H new ATOM 0 HG23 THR A 16 -0.780 4.651 9.471 1.00 0.00 H new ATOM 201 N PRO A 17 -3.833 7.120 9.556 1.00 0.00 N ATOM 202 CA PRO A 17 -5.140 6.516 9.281 1.00 0.00 C ATOM 203 C PRO A 17 -5.107 5.594 8.066 1.00 0.00 C ATOM 204 O PRO A 17 -4.150 5.604 7.292 1.00 0.00 O ATOM 205 CB PRO A 17 -6.040 7.724 9.011 1.00 0.00 C ATOM 206 CG PRO A 17 -5.112 8.791 8.541 1.00 0.00 C ATOM 207 CD PRO A 17 -3.818 8.565 9.273 1.00 0.00 C ATOM 0 HA PRO A 17 -5.481 5.889 10.105 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -6.794 7.495 8.258 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -6.572 8.031 9.912 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -4.966 8.734 7.462 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -5.514 9.781 8.756 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -2.958 8.846 8.665 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -3.767 9.153 10.189 1.00 0.00 H new ATOM 215 N CYS A 18 -6.159 4.798 7.905 1.00 0.00 N ATOM 216 CA CYS A 18 -6.252 3.870 6.785 1.00 0.00 C ATOM 217 C CYS A 18 -6.731 4.585 5.524 1.00 0.00 C ATOM 218 O CYS A 18 -7.274 5.688 5.591 1.00 0.00 O ATOM 219 CB CYS A 18 -7.203 2.720 7.125 1.00 0.00 C ATOM 220 SG CYS A 18 -7.210 1.374 5.898 1.00 0.00 S ATOM 0 H CYS A 18 -6.959 4.777 8.537 1.00 0.00 H new ATOM 0 HA CYS A 18 -5.257 3.466 6.597 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -6.928 2.310 8.097 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -8.214 3.115 7.221 1.00 0.00 H new ATOM 0 HG CYS A 18 -6.077 0.738 5.946 1.00 0.00 H new ATOM 225 N LEU A 19 -6.528 3.948 4.377 1.00 0.00 N ATOM 226 CA LEU A 19 -6.939 4.522 3.100 1.00 0.00 C ATOM 227 C LEU A 19 -8.400 4.198 2.803 1.00 0.00 C ATOM 228 O LEU A 19 -9.163 5.064 2.374 1.00 0.00 O ATOM 229 CB LEU A 19 -6.049 3.996 1.972 1.00 0.00 C ATOM 230 CG LEU A 19 -4.541 4.082 2.211 1.00 0.00 C ATOM 231 CD1 LEU A 19 -4.204 5.296 3.062 1.00 0.00 C ATOM 232 CD2 LEU A 19 -4.033 2.808 2.871 1.00 0.00 C ATOM 0 H LEU A 19 -6.081 3.034 4.304 1.00 0.00 H new ATOM 0 HA LEU A 19 -6.832 5.605 3.165 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -6.309 2.954 1.788 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -6.285 4.549 1.063 1.00 0.00 H new ATOM 0 HG LEU A 19 -4.045 4.191 1.247 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -3.127 5.341 3.222 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -4.533 6.201 2.551 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -4.710 5.218 4.024 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -2.958 2.886 3.034 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -4.536 2.669 3.828 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -4.241 1.955 2.224 1.00 0.00 H new ATOM 244 N PHE A 20 -8.783 2.947 3.036 1.00 0.00 N ATOM 245 CA PHE A 20 -10.153 2.510 2.795 1.00 0.00 C ATOM 246 C PHE A 20 -11.059 2.889 3.963 1.00 0.00 C ATOM 247 O PHE A 20 -12.156 3.413 3.769 1.00 0.00 O ATOM 248 CB PHE A 20 -10.196 0.997 2.573 1.00 0.00 C ATOM 249 CG PHE A 20 -9.329 0.533 1.437 1.00 0.00 C ATOM 250 CD1 PHE A 20 -9.791 0.582 0.131 1.00 0.00 C ATOM 251 CD2 PHE A 20 -8.053 0.049 1.674 1.00 0.00 C ATOM 252 CE1 PHE A 20 -8.996 0.155 -0.916 1.00 0.00 C ATOM 253 CE2 PHE A 20 -7.253 -0.378 0.631 1.00 0.00 C ATOM 254 CZ PHE A 20 -7.725 -0.324 -0.666 1.00 0.00 C ATOM 0 H PHE A 20 -8.164 2.218 3.391 1.00 0.00 H new ATOM 0 HA PHE A 20 -10.516 3.013 1.899 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -9.882 0.494 3.488 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -11.226 0.695 2.381 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -10.783 0.958 -0.071 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -7.679 0.005 2.686 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -9.369 0.196 -1.929 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -6.260 -0.753 0.830 1.00 0.00 H new ATOM 0 HZ PHE A 20 -7.101 -0.656 -1.483 1.00 0.00 H new ATOM 264 N CYS A 21 -10.591 2.620 5.178 1.00 0.00 N ATOM 265 CA CYS A 21 -11.357 2.931 6.379 1.00 0.00 C ATOM 266 C CYS A 21 -10.728 4.095 7.140 1.00 0.00 C ATOM 267 O CYS A 21 -9.749 4.689 6.687 1.00 0.00 O ATOM 268 CB CYS A 21 -11.445 1.702 7.286 1.00 0.00 C ATOM 269 SG CYS A 21 -9.860 1.224 8.045 1.00 0.00 S ATOM 0 H CYS A 21 -9.685 2.187 5.356 1.00 0.00 H new ATOM 0 HA CYS A 21 -12.362 3.221 6.073 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -12.170 1.898 8.076 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -11.826 0.862 6.706 1.00 0.00 H new ATOM 0 HG CYS A 21 -8.950 1.124 7.122 1.00 0.00 H new ATOM 274 N ASP A 22 -11.296 4.414 8.297 1.00 0.00 N ATOM 275 CA ASP A 22 -10.790 5.505 9.122 1.00 0.00 C ATOM 276 C ASP A 22 -10.133 4.968 10.390 1.00 0.00 C ATOM 277 O ASP A 22 -10.344 5.496 11.481 1.00 0.00 O ATOM 278 CB ASP A 22 -11.924 6.464 9.487 1.00 0.00 C ATOM 279 CG ASP A 22 -11.431 7.877 9.733 1.00 0.00 C ATOM 280 OD1 ASP A 22 -10.285 8.031 10.206 1.00 0.00 O ATOM 281 OD2 ASP A 22 -12.190 8.828 9.454 1.00 0.00 O ATOM 0 H ASP A 22 -12.107 3.933 8.685 1.00 0.00 H new ATOM 0 HA ASP A 22 -10.039 6.045 8.546 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -12.660 6.474 8.683 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -12.432 6.099 10.380 1.00 0.00 H new ATOM 286 N ARG A 23 -9.337 3.914 10.237 1.00 0.00 N ATOM 287 CA ARG A 23 -8.651 3.305 11.370 1.00 0.00 C ATOM 288 C ARG A 23 -7.235 3.854 11.507 1.00 0.00 C ATOM 289 O ARG A 23 -6.441 3.796 10.567 1.00 0.00 O ATOM 290 CB ARG A 23 -8.607 1.784 11.208 1.00 0.00 C ATOM 291 CG ARG A 23 -9.917 1.096 11.554 1.00 0.00 C ATOM 292 CD ARG A 23 -9.848 -0.400 11.288 1.00 0.00 C ATOM 293 NE ARG A 23 -10.662 -1.162 12.231 1.00 0.00 N ATOM 294 CZ ARG A 23 -11.263 -2.306 11.925 1.00 0.00 C ATOM 295 NH1 ARG A 23 -11.142 -2.819 10.708 1.00 0.00 N ATOM 296 NH2 ARG A 23 -11.987 -2.941 12.838 1.00 0.00 N ATOM 0 H ARG A 23 -9.152 3.465 9.340 1.00 0.00 H new ATOM 0 HA ARG A 23 -9.206 3.552 12.275 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -8.342 1.544 10.178 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -7.817 1.382 11.842 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -10.154 1.269 12.604 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -10.725 1.534 10.968 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -10.185 -0.603 10.272 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -8.812 -0.732 11.353 1.00 0.00 H new ATOM 0 HE ARG A 23 -10.775 -0.796 13.176 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -10.586 -2.335 10.003 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -11.605 -3.698 10.477 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -12.082 -2.550 13.775 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -12.448 -3.820 12.602 1.00 0.00 H new ATOM 310 N LEU A 24 -6.924 4.387 12.684 1.00 0.00 N ATOM 311 CA LEU A 24 -5.603 4.948 12.945 1.00 0.00 C ATOM 312 C LEU A 24 -4.625 3.859 13.376 1.00 0.00 C ATOM 313 O LEU A 24 -4.994 2.925 14.088 1.00 0.00 O ATOM 314 CB LEU A 24 -5.690 6.027 14.025 1.00 0.00 C ATOM 315 CG LEU A 24 -6.294 7.363 13.591 1.00 0.00 C ATOM 316 CD1 LEU A 24 -6.676 8.196 14.805 1.00 0.00 C ATOM 317 CD2 LEU A 24 -5.322 8.126 12.703 1.00 0.00 C ATOM 0 H LEU A 24 -7.569 4.442 13.472 1.00 0.00 H new ATOM 0 HA LEU A 24 -5.236 5.396 12.021 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -6.280 5.636 14.854 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -4.686 6.212 14.408 1.00 0.00 H new ATOM 0 HG LEU A 24 -7.197 7.161 13.016 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -7.104 9.143 14.476 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -7.409 7.654 15.402 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -5.789 8.389 15.408 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -5.769 9.074 12.404 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -4.400 8.317 13.253 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -5.099 7.534 11.815 1.00 0.00 H new ATOM 329 N PHE A 25 -3.376 3.987 12.940 1.00 0.00 N ATOM 330 CA PHE A 25 -2.344 3.015 13.282 1.00 0.00 C ATOM 331 C PHE A 25 -1.077 3.714 13.766 1.00 0.00 C ATOM 332 O PHE A 25 -0.877 4.902 13.516 1.00 0.00 O ATOM 333 CB PHE A 25 -2.023 2.134 12.073 1.00 0.00 C ATOM 334 CG PHE A 25 -3.197 1.334 11.586 1.00 0.00 C ATOM 335 CD1 PHE A 25 -4.210 1.938 10.859 1.00 0.00 C ATOM 336 CD2 PHE A 25 -3.288 -0.022 11.855 1.00 0.00 C ATOM 337 CE1 PHE A 25 -5.292 1.204 10.411 1.00 0.00 C ATOM 338 CE2 PHE A 25 -4.367 -0.762 11.409 1.00 0.00 C ATOM 339 CZ PHE A 25 -5.370 -0.148 10.685 1.00 0.00 C ATOM 0 H PHE A 25 -3.054 4.754 12.349 1.00 0.00 H new ATOM 0 HA PHE A 25 -2.723 2.389 14.089 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -1.661 2.764 11.261 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -1.213 1.453 12.334 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -4.154 2.994 10.640 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -2.506 -0.507 12.420 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -6.076 1.687 9.847 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -4.426 -1.818 11.626 1.00 0.00 H new ATOM 0 HZ PHE A 25 -6.214 -0.723 10.334 1.00 0.00 H new ATOM 349 N ALA A 26 -0.225 2.968 14.462 1.00 0.00 N ATOM 350 CA ALA A 26 1.022 3.515 14.980 1.00 0.00 C ATOM 351 C ALA A 26 2.088 3.580 13.891 1.00 0.00 C ATOM 352 O ALA A 26 2.739 4.608 13.707 1.00 0.00 O ATOM 353 CB ALA A 26 1.516 2.682 16.154 1.00 0.00 C ATOM 0 H ALA A 26 -0.376 1.983 14.680 1.00 0.00 H new ATOM 0 HA ALA A 26 0.829 4.531 15.324 1.00 0.00 H new ATOM 0 HB1 ALA A 26 2.448 3.102 16.531 1.00 0.00 H new ATOM 0 HB2 ALA A 26 0.768 2.690 16.946 1.00 0.00 H new ATOM 0 HB3 ALA A 26 1.686 1.656 15.826 1.00 0.00 H new ATOM 359 N SER A 27 2.260 2.475 13.172 1.00 0.00 N ATOM 360 CA SER A 27 3.251 2.406 12.103 1.00 0.00 C ATOM 361 C SER A 27 2.581 2.139 10.759 1.00 0.00 C ATOM 362 O SER A 27 1.480 1.593 10.699 1.00 0.00 O ATOM 363 CB SER A 27 4.277 1.312 12.401 1.00 0.00 C ATOM 364 OG SER A 27 3.639 0.094 12.744 1.00 0.00 O ATOM 0 H SER A 27 1.727 1.616 13.310 1.00 0.00 H new ATOM 0 HA SER A 27 3.761 3.368 12.050 1.00 0.00 H new ATOM 0 HB2 SER A 27 4.914 1.160 11.530 1.00 0.00 H new ATOM 0 HB3 SER A 27 4.925 1.629 13.218 1.00 0.00 H new ATOM 0 HG SER A 27 4.317 -0.590 12.928 1.00 0.00 H new ATOM 370 N ALA A 28 3.255 2.529 9.682 1.00 0.00 N ATOM 371 CA ALA A 28 2.727 2.331 8.337 1.00 0.00 C ATOM 372 C ALA A 28 2.574 0.847 8.021 1.00 0.00 C ATOM 373 O ALA A 28 1.681 0.452 7.273 1.00 0.00 O ATOM 374 CB ALA A 28 3.630 3.001 7.312 1.00 0.00 C ATOM 0 H ALA A 28 4.167 2.984 9.714 1.00 0.00 H new ATOM 0 HA ALA A 28 1.739 2.790 8.289 1.00 0.00 H new ATOM 0 HB1 ALA A 28 3.224 2.845 6.312 1.00 0.00 H new ATOM 0 HB2 ALA A 28 3.685 4.070 7.519 1.00 0.00 H new ATOM 0 HB3 ALA A 28 4.629 2.569 7.369 1.00 0.00 H new ATOM 380 N GLU A 29 3.453 0.031 8.594 1.00 0.00 N ATOM 381 CA GLU A 29 3.416 -1.410 8.371 1.00 0.00 C ATOM 382 C GLU A 29 2.165 -2.024 8.993 1.00 0.00 C ATOM 383 O GLU A 29 1.555 -2.926 8.421 1.00 0.00 O ATOM 384 CB GLU A 29 4.666 -2.071 8.953 1.00 0.00 C ATOM 385 CG GLU A 29 5.901 -1.914 8.081 1.00 0.00 C ATOM 386 CD GLU A 29 7.188 -2.173 8.839 1.00 0.00 C ATOM 387 OE1 GLU A 29 7.453 -3.346 9.176 1.00 0.00 O ATOM 388 OE2 GLU A 29 7.930 -1.202 9.096 1.00 0.00 O ATOM 0 H GLU A 29 4.199 0.343 9.216 1.00 0.00 H new ATOM 0 HA GLU A 29 3.390 -1.585 7.295 1.00 0.00 H new ATOM 0 HB2 GLU A 29 4.869 -1.644 9.935 1.00 0.00 H new ATOM 0 HB3 GLU A 29 4.469 -3.133 9.102 1.00 0.00 H new ATOM 0 HG2 GLU A 29 5.836 -2.602 7.238 1.00 0.00 H new ATOM 0 HG3 GLU A 29 5.924 -0.905 7.668 1.00 0.00 H new ATOM 395 N GLU A 30 1.792 -1.529 10.169 1.00 0.00 N ATOM 396 CA GLU A 30 0.615 -2.030 10.869 1.00 0.00 C ATOM 397 C GLU A 30 -0.636 -1.881 10.008 1.00 0.00 C ATOM 398 O GLU A 30 -1.510 -2.749 10.006 1.00 0.00 O ATOM 399 CB GLU A 30 0.427 -1.287 12.194 1.00 0.00 C ATOM 400 CG GLU A 30 1.182 -1.912 13.355 1.00 0.00 C ATOM 401 CD GLU A 30 0.493 -3.147 13.902 1.00 0.00 C ATOM 402 OE1 GLU A 30 0.221 -4.074 13.111 1.00 0.00 O ATOM 403 OE2 GLU A 30 0.227 -3.185 15.121 1.00 0.00 O ATOM 0 H GLU A 30 2.287 -0.782 10.656 1.00 0.00 H new ATOM 0 HA GLU A 30 0.770 -3.089 11.073 1.00 0.00 H new ATOM 0 HB2 GLU A 30 0.755 -0.255 12.072 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -0.635 -1.257 12.436 1.00 0.00 H new ATOM 0 HG2 GLU A 30 2.188 -2.176 13.029 1.00 0.00 H new ATOM 0 HG3 GLU A 30 1.288 -1.177 14.152 1.00 0.00 H new ATOM 410 N THR A 31 -0.715 -0.774 9.276 1.00 0.00 N ATOM 411 CA THR A 31 -1.858 -0.510 8.412 1.00 0.00 C ATOM 412 C THR A 31 -1.872 -1.453 7.214 1.00 0.00 C ATOM 413 O THR A 31 -2.777 -2.275 7.070 1.00 0.00 O ATOM 414 CB THR A 31 -1.854 0.945 7.904 1.00 0.00 C ATOM 415 OG1 THR A 31 -1.541 1.838 8.979 1.00 0.00 O ATOM 416 CG2 THR A 31 -3.204 1.314 7.309 1.00 0.00 C ATOM 0 H THR A 31 -0.001 -0.046 9.265 1.00 0.00 H new ATOM 0 HA THR A 31 -2.752 -0.676 9.013 1.00 0.00 H new ATOM 0 HB THR A 31 -1.096 1.033 7.126 1.00 0.00 H new ATOM 0 HG1 THR A 31 -2.294 1.872 9.606 1.00 0.00 H new ATOM 0 HG21 THR A 31 -3.177 2.345 6.957 1.00 0.00 H new ATOM 0 HG22 THR A 31 -3.426 0.651 6.473 1.00 0.00 H new ATOM 0 HG23 THR A 31 -3.978 1.210 8.070 1.00 0.00 H new ATOM 424 N PHE A 32 -0.863 -1.330 6.358 1.00 0.00 N ATOM 425 CA PHE A 32 -0.760 -2.173 5.172 1.00 0.00 C ATOM 426 C PHE A 32 -1.210 -3.599 5.477 1.00 0.00 C ATOM 427 O PHE A 32 -2.128 -4.120 4.846 1.00 0.00 O ATOM 428 CB PHE A 32 0.677 -2.180 4.649 1.00 0.00 C ATOM 429 CG PHE A 32 1.071 -0.904 3.961 1.00 0.00 C ATOM 430 CD1 PHE A 32 0.244 -0.332 3.008 1.00 0.00 C ATOM 431 CD2 PHE A 32 2.269 -0.278 4.267 1.00 0.00 C ATOM 432 CE1 PHE A 32 0.605 0.842 2.373 1.00 0.00 C ATOM 433 CE2 PHE A 32 2.634 0.896 3.636 1.00 0.00 C ATOM 434 CZ PHE A 32 1.801 1.457 2.688 1.00 0.00 C ATOM 0 H PHE A 32 -0.105 -0.655 6.463 1.00 0.00 H new ATOM 0 HA PHE A 32 -1.416 -1.760 4.405 1.00 0.00 H new ATOM 0 HB2 PHE A 32 1.357 -2.359 5.482 1.00 0.00 H new ATOM 0 HB3 PHE A 32 0.798 -3.011 3.954 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -0.693 -0.808 2.758 1.00 0.00 H new ATOM 0 HD2 PHE A 32 2.925 -0.713 5.007 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -0.048 1.278 1.631 1.00 0.00 H new ATOM 0 HE2 PHE A 32 3.570 1.374 3.884 1.00 0.00 H new ATOM 0 HZ PHE A 32 2.084 2.375 2.194 1.00 0.00 H new ATOM 444 N SER A 33 -0.554 -4.224 6.450 1.00 0.00 N ATOM 445 CA SER A 33 -0.882 -5.591 6.837 1.00 0.00 C ATOM 446 C SER A 33 -2.372 -5.728 7.137 1.00 0.00 C ATOM 447 O SER A 33 -3.016 -6.689 6.715 1.00 0.00 O ATOM 448 CB SER A 33 -0.064 -6.007 8.061 1.00 0.00 C ATOM 449 OG SER A 33 -0.107 -7.411 8.250 1.00 0.00 O ATOM 0 H SER A 33 0.207 -3.805 6.984 1.00 0.00 H new ATOM 0 HA SER A 33 -0.635 -6.248 6.003 1.00 0.00 H new ATOM 0 HB2 SER A 33 0.970 -5.685 7.938 1.00 0.00 H new ATOM 0 HB3 SER A 33 -0.451 -5.505 8.948 1.00 0.00 H new ATOM 0 HG SER A 33 0.425 -7.652 9.037 1.00 0.00 H new ATOM 455 N HIS A 34 -2.914 -4.760 7.868 1.00 0.00 N ATOM 456 CA HIS A 34 -4.328 -4.771 8.225 1.00 0.00 C ATOM 457 C HIS A 34 -5.203 -4.819 6.976 1.00 0.00 C ATOM 458 O HIS A 34 -6.188 -5.556 6.924 1.00 0.00 O ATOM 459 CB HIS A 34 -4.675 -3.537 9.058 1.00 0.00 C ATOM 460 CG HIS A 34 -6.042 -2.991 8.779 1.00 0.00 C ATOM 461 ND1 HIS A 34 -6.431 -1.857 8.151 1.00 0.00 N flip ATOM 462 CD2 HIS A 34 -7.201 -3.632 9.163 1.00 0.00 C flip ATOM 463 CE1 HIS A 34 -7.804 -1.834 8.166 1.00 0.00 C flip ATOM 464 NE2 HIS A 34 -8.244 -2.916 8.782 1.00 0.00 N flip ATOM 0 H HIS A 34 -2.395 -3.958 8.225 1.00 0.00 H new ATOM 0 HA HIS A 34 -4.521 -5.666 8.817 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -4.603 -3.791 10.116 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -3.936 -2.759 8.866 1.00 0.00 H new ATOM 0 HD1 HIS A 34 -5.818 -1.151 7.743 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -7.249 -4.572 9.692 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -8.423 -1.057 7.743 1.00 0.00 H new ATOM 472 N CYS A 35 -4.837 -4.028 5.973 1.00 0.00 N ATOM 473 CA CYS A 35 -5.590 -3.979 4.724 1.00 0.00 C ATOM 474 C CYS A 35 -5.481 -5.301 3.972 1.00 0.00 C ATOM 475 O CYS A 35 -6.424 -5.729 3.306 1.00 0.00 O ATOM 476 CB CYS A 35 -5.085 -2.834 3.845 1.00 0.00 C ATOM 477 SG CYS A 35 -5.091 -1.220 4.659 1.00 0.00 S ATOM 0 H CYS A 35 -4.024 -3.412 6.000 1.00 0.00 H new ATOM 0 HA CYS A 35 -6.638 -3.806 4.966 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -4.070 -3.061 3.519 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -5.703 -2.779 2.948 1.00 0.00 H new ATOM 0 HG CYS A 35 -4.284 -1.245 5.678 1.00 0.00 H new ATOM 483 N LYS A 36 -4.323 -5.943 4.080 1.00 0.00 N ATOM 484 CA LYS A 36 -4.089 -7.217 3.409 1.00 0.00 C ATOM 485 C LYS A 36 -4.928 -8.325 4.038 1.00 0.00 C ATOM 486 O LYS A 36 -5.166 -9.364 3.420 1.00 0.00 O ATOM 487 CB LYS A 36 -2.605 -7.586 3.476 1.00 0.00 C ATOM 488 CG LYS A 36 -1.704 -6.623 2.722 1.00 0.00 C ATOM 489 CD LYS A 36 -0.297 -6.613 3.295 1.00 0.00 C ATOM 490 CE LYS A 36 0.735 -6.267 2.231 1.00 0.00 C ATOM 491 NZ LYS A 36 1.280 -7.486 1.571 1.00 0.00 N ATOM 0 H LYS A 36 -3.531 -5.602 4.626 1.00 0.00 H new ATOM 0 HA LYS A 36 -4.384 -7.110 2.365 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -2.294 -7.619 4.520 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -2.470 -8.589 3.071 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -1.668 -6.905 1.670 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -2.124 -5.618 2.768 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -0.239 -5.890 4.108 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -0.069 -7.590 3.721 1.00 0.00 H new ATOM 0 HE2 LYS A 36 0.280 -5.620 1.481 1.00 0.00 H new ATOM 0 HE3 LYS A 36 1.551 -5.704 2.685 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 1.500 -7.274 0.577 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 2.146 -7.788 2.061 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 0.574 -8.249 1.614 1.00 0.00 H new ATOM 505 N LEU A 37 -5.375 -8.097 5.268 1.00 0.00 N ATOM 506 CA LEU A 37 -6.189 -9.076 5.980 1.00 0.00 C ATOM 507 C LEU A 37 -7.675 -8.789 5.790 1.00 0.00 C ATOM 508 O LEU A 37 -8.435 -9.659 5.366 1.00 0.00 O ATOM 509 CB LEU A 37 -5.843 -9.069 7.470 1.00 0.00 C ATOM 510 CG LEU A 37 -4.371 -9.293 7.818 1.00 0.00 C ATOM 511 CD1 LEU A 37 -4.068 -8.772 9.214 1.00 0.00 C ATOM 512 CD2 LEU A 37 -4.016 -10.769 7.709 1.00 0.00 C ATOM 0 H LEU A 37 -5.188 -7.243 5.793 1.00 0.00 H new ATOM 0 HA LEU A 37 -5.972 -10.061 5.568 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -6.154 -8.112 7.890 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -6.434 -9.841 7.963 1.00 0.00 H new ATOM 0 HG LEU A 37 -3.760 -8.739 7.105 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -3.016 -8.940 9.445 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -4.283 -7.704 9.259 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -4.687 -9.298 9.941 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -2.965 -10.910 7.960 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -4.634 -11.344 8.399 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -4.195 -11.112 6.690 1.00 0.00 H new ATOM 524 N GLU A 38 -8.081 -7.562 6.104 1.00 0.00 N ATOM 525 CA GLU A 38 -9.476 -7.161 5.966 1.00 0.00 C ATOM 526 C GLU A 38 -9.790 -6.771 4.524 1.00 0.00 C ATOM 527 O GLU A 38 -10.591 -7.423 3.854 1.00 0.00 O ATOM 528 CB GLU A 38 -9.788 -5.991 6.901 1.00 0.00 C ATOM 529 CG GLU A 38 -9.688 -6.347 8.375 1.00 0.00 C ATOM 530 CD GLU A 38 -10.939 -7.027 8.898 1.00 0.00 C ATOM 531 OE1 GLU A 38 -12.049 -6.594 8.525 1.00 0.00 O ATOM 532 OE2 GLU A 38 -10.807 -7.992 9.679 1.00 0.00 O ATOM 0 H GLU A 38 -7.464 -6.830 6.455 1.00 0.00 H new ATOM 0 HA GLU A 38 -10.101 -8.012 6.239 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -9.101 -5.172 6.686 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -10.794 -5.627 6.691 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -8.831 -7.003 8.529 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -9.503 -5.441 8.952 1.00 0.00 H new ATOM 539 N HIS A 39 -9.153 -5.703 4.054 1.00 0.00 N ATOM 540 CA HIS A 39 -9.364 -5.226 2.692 1.00 0.00 C ATOM 541 C HIS A 39 -8.671 -6.137 1.683 1.00 0.00 C ATOM 542 O HIS A 39 -8.696 -5.878 0.480 1.00 0.00 O ATOM 543 CB HIS A 39 -8.846 -3.795 2.545 1.00 0.00 C ATOM 544 CG HIS A 39 -9.444 -2.837 3.529 1.00 0.00 C ATOM 545 ND1 HIS A 39 -10.756 -2.910 3.948 1.00 0.00 N ATOM 546 CD2 HIS A 39 -8.900 -1.782 4.180 1.00 0.00 C ATOM 547 CE1 HIS A 39 -10.994 -1.939 4.813 1.00 0.00 C ATOM 548 NE2 HIS A 39 -9.884 -1.241 4.971 1.00 0.00 N ATOM 0 H HIS A 39 -8.487 -5.152 4.596 1.00 0.00 H new ATOM 0 HA HIS A 39 -10.435 -5.240 2.490 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -7.762 -3.796 2.664 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -9.056 -3.443 1.535 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -7.882 -1.431 4.094 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -11.936 -1.749 5.306 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -9.775 -0.431 5.582 1.00 0.00 H new ATOM 556 N GLN A 40 -8.051 -7.202 2.183 1.00 0.00 N ATOM 557 CA GLN A 40 -7.350 -8.149 1.325 1.00 0.00 C ATOM 558 C GLN A 40 -6.605 -7.424 0.208 1.00 0.00 C ATOM 559 O GLN A 40 -6.554 -7.898 -0.927 1.00 0.00 O ATOM 560 CB GLN A 40 -8.335 -9.155 0.728 1.00 0.00 C ATOM 561 CG GLN A 40 -9.447 -8.510 -0.084 1.00 0.00 C ATOM 562 CD GLN A 40 -10.483 -9.511 -0.554 1.00 0.00 C ATOM 563 OE1 GLN A 40 -10.628 -9.755 -1.752 1.00 0.00 O ATOM 564 NE2 GLN A 40 -11.211 -10.097 0.389 1.00 0.00 N ATOM 0 H GLN A 40 -8.020 -7.430 3.177 1.00 0.00 H new ATOM 0 HA GLN A 40 -6.622 -8.683 1.935 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -7.789 -9.852 0.092 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -8.778 -9.740 1.534 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -9.935 -7.744 0.519 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -9.015 -8.007 -0.949 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -11.057 -9.865 1.370 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -11.924 -10.780 0.132 1.00 0.00 H new ATOM 573 N PHE A 41 -6.030 -6.272 0.538 1.00 0.00 N ATOM 574 CA PHE A 41 -5.290 -5.481 -0.438 1.00 0.00 C ATOM 575 C PHE A 41 -3.870 -5.206 0.050 1.00 0.00 C ATOM 576 O PHE A 41 -3.663 -4.802 1.193 1.00 0.00 O ATOM 577 CB PHE A 41 -6.012 -4.160 -0.709 1.00 0.00 C ATOM 578 CG PHE A 41 -5.104 -3.069 -1.198 1.00 0.00 C ATOM 579 CD1 PHE A 41 -4.383 -2.296 -0.301 1.00 0.00 C ATOM 580 CD2 PHE A 41 -4.970 -2.815 -2.553 1.00 0.00 C ATOM 581 CE1 PHE A 41 -3.546 -1.291 -0.748 1.00 0.00 C ATOM 582 CE2 PHE A 41 -4.134 -1.812 -3.005 1.00 0.00 C ATOM 583 CZ PHE A 41 -3.421 -1.048 -2.102 1.00 0.00 C ATOM 0 H PHE A 41 -6.062 -5.866 1.473 1.00 0.00 H new ATOM 0 HA PHE A 41 -5.234 -6.053 -1.364 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -6.795 -4.328 -1.448 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -6.503 -3.830 0.206 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -4.476 -2.481 0.759 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -5.525 -3.408 -3.265 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -2.990 -0.696 -0.039 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -4.038 -1.625 -4.064 1.00 0.00 H new ATOM 0 HZ PHE A 41 -2.768 -0.263 -2.453 1.00 0.00 H new ATOM 593 N ASN A 42 -2.896 -5.430 -0.826 1.00 0.00 N ATOM 594 CA ASN A 42 -1.495 -5.207 -0.485 1.00 0.00 C ATOM 595 C ASN A 42 -0.968 -3.939 -1.150 1.00 0.00 C ATOM 596 O ASN A 42 -1.450 -3.536 -2.209 1.00 0.00 O ATOM 597 CB ASN A 42 -0.649 -6.409 -0.909 1.00 0.00 C ATOM 598 CG ASN A 42 -1.264 -7.170 -2.067 1.00 0.00 C ATOM 599 OD1 ASN A 42 -1.566 -6.594 -3.112 1.00 0.00 O ATOM 600 ND2 ASN A 42 -1.454 -8.472 -1.885 1.00 0.00 N ATOM 0 H ASN A 42 -3.051 -5.766 -1.777 1.00 0.00 H new ATOM 0 HA ASN A 42 -1.424 -5.084 0.596 1.00 0.00 H new ATOM 0 HB2 ASN A 42 0.347 -6.067 -1.191 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -0.527 -7.081 -0.060 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -1.865 -9.036 -2.628 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -1.188 -8.908 -1.002 1.00 0.00 H new ATOM 607 N ILE A 43 0.024 -3.317 -0.522 1.00 0.00 N ATOM 608 CA ILE A 43 0.618 -2.097 -1.054 1.00 0.00 C ATOM 609 C ILE A 43 1.918 -2.395 -1.793 1.00 0.00 C ATOM 610 O ILE A 43 2.207 -1.795 -2.829 1.00 0.00 O ATOM 611 CB ILE A 43 0.898 -1.074 0.063 1.00 0.00 C ATOM 612 CG1 ILE A 43 1.435 0.229 -0.532 1.00 0.00 C ATOM 613 CG2 ILE A 43 1.881 -1.648 1.071 1.00 0.00 C ATOM 614 CD1 ILE A 43 0.432 0.956 -1.400 1.00 0.00 C ATOM 0 H ILE A 43 0.433 -3.638 0.356 1.00 0.00 H new ATOM 0 HA ILE A 43 -0.104 -1.673 -1.752 1.00 0.00 H new ATOM 0 HB ILE A 43 -0.037 -0.856 0.580 1.00 0.00 H new ATOM 0 HG12 ILE A 43 1.747 0.888 0.279 1.00 0.00 H new ATOM 0 HG13 ILE A 43 2.324 0.010 -1.124 1.00 0.00 H new ATOM 0 HG21 ILE A 43 2.069 -0.914 1.854 1.00 0.00 H new ATOM 0 HG22 ILE A 43 1.462 -2.552 1.514 1.00 0.00 H new ATOM 0 HG23 ILE A 43 2.817 -1.891 0.569 1.00 0.00 H new ATOM 0 HD11 ILE A 43 0.881 1.870 -1.788 1.00 0.00 H new ATOM 0 HD12 ILE A 43 0.138 0.315 -2.231 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -0.448 1.207 -0.807 1.00 0.00 H new ATOM 626 N ASP A 44 2.698 -3.326 -1.255 1.00 0.00 N ATOM 627 CA ASP A 44 3.967 -3.706 -1.864 1.00 0.00 C ATOM 628 C ASP A 44 3.750 -4.259 -3.270 1.00 0.00 C ATOM 629 O ASP A 44 4.339 -3.773 -4.236 1.00 0.00 O ATOM 630 CB ASP A 44 4.681 -4.745 -0.999 1.00 0.00 C ATOM 631 CG ASP A 44 6.151 -4.878 -1.349 1.00 0.00 C ATOM 632 OD1 ASP A 44 6.514 -4.587 -2.508 1.00 0.00 O ATOM 633 OD2 ASP A 44 6.937 -5.273 -0.463 1.00 0.00 O ATOM 0 H ASP A 44 2.474 -3.832 -0.398 1.00 0.00 H new ATOM 0 HA ASP A 44 4.590 -2.814 -1.935 1.00 0.00 H new ATOM 0 HB2 ASP A 44 4.584 -4.468 0.051 1.00 0.00 H new ATOM 0 HB3 ASP A 44 4.193 -5.712 -1.120 1.00 0.00 H new ATOM 638 N SER A 45 2.904 -5.278 -3.376 1.00 0.00 N ATOM 639 CA SER A 45 2.614 -5.900 -4.662 1.00 0.00 C ATOM 640 C SER A 45 2.311 -4.843 -5.720 1.00 0.00 C ATOM 641 O SER A 45 2.781 -4.932 -6.854 1.00 0.00 O ATOM 642 CB SER A 45 1.431 -6.861 -4.532 1.00 0.00 C ATOM 643 OG SER A 45 1.870 -8.168 -4.205 1.00 0.00 O ATOM 0 H SER A 45 2.407 -5.691 -2.586 1.00 0.00 H new ATOM 0 HA SER A 45 3.495 -6.460 -4.974 1.00 0.00 H new ATOM 0 HB2 SER A 45 0.748 -6.500 -3.763 1.00 0.00 H new ATOM 0 HB3 SER A 45 0.873 -6.885 -5.468 1.00 0.00 H new ATOM 0 HG SER A 45 1.095 -8.763 -4.126 1.00 0.00 H new ATOM 649 N MET A 46 1.522 -3.843 -5.341 1.00 0.00 N ATOM 650 CA MET A 46 1.157 -2.768 -6.256 1.00 0.00 C ATOM 651 C MET A 46 2.400 -2.071 -6.798 1.00 0.00 C ATOM 652 O MET A 46 2.497 -1.794 -7.994 1.00 0.00 O ATOM 653 CB MET A 46 0.255 -1.754 -5.551 1.00 0.00 C ATOM 654 CG MET A 46 -1.001 -2.368 -4.954 1.00 0.00 C ATOM 655 SD MET A 46 -2.096 -3.065 -6.206 1.00 0.00 S ATOM 656 CE MET A 46 -2.809 -1.575 -6.899 1.00 0.00 C ATOM 0 H MET A 46 1.123 -3.755 -4.406 1.00 0.00 H new ATOM 0 HA MET A 46 0.613 -3.205 -7.093 1.00 0.00 H new ATOM 0 HB2 MET A 46 0.822 -1.265 -4.759 1.00 0.00 H new ATOM 0 HB3 MET A 46 -0.032 -0.980 -6.262 1.00 0.00 H new ATOM 0 HG2 MET A 46 -0.719 -3.149 -4.248 1.00 0.00 H new ATOM 0 HG3 MET A 46 -1.539 -1.607 -4.389 1.00 0.00 H new ATOM 0 HE1 MET A 46 -3.869 -1.736 -7.094 1.00 0.00 H new ATOM 0 HE2 MET A 46 -2.691 -0.753 -6.193 1.00 0.00 H new ATOM 0 HE3 MET A 46 -2.301 -1.328 -7.832 1.00 0.00 H new ATOM 666 N VAL A 47 3.349 -1.788 -5.912 1.00 0.00 N ATOM 667 CA VAL A 47 4.586 -1.123 -6.302 1.00 0.00 C ATOM 668 C VAL A 47 5.310 -1.904 -7.393 1.00 0.00 C ATOM 669 O VAL A 47 5.929 -1.321 -8.283 1.00 0.00 O ATOM 670 CB VAL A 47 5.532 -0.946 -5.099 1.00 0.00 C ATOM 671 CG1 VAL A 47 6.888 -0.429 -5.557 1.00 0.00 C ATOM 672 CG2 VAL A 47 4.916 -0.011 -4.070 1.00 0.00 C ATOM 0 H VAL A 47 3.285 -2.009 -4.918 1.00 0.00 H new ATOM 0 HA VAL A 47 4.310 -0.141 -6.685 1.00 0.00 H new ATOM 0 HB VAL A 47 5.680 -1.919 -4.630 1.00 0.00 H new ATOM 0 HG11 VAL A 47 7.543 -0.310 -4.694 1.00 0.00 H new ATOM 0 HG12 VAL A 47 7.332 -1.140 -6.254 1.00 0.00 H new ATOM 0 HG13 VAL A 47 6.762 0.534 -6.052 1.00 0.00 H new ATOM 0 HG21 VAL A 47 5.598 0.102 -3.227 1.00 0.00 H new ATOM 0 HG22 VAL A 47 4.736 0.963 -4.525 1.00 0.00 H new ATOM 0 HG23 VAL A 47 3.972 -0.427 -3.719 1.00 0.00 H new ATOM 682 N HIS A 48 5.227 -3.229 -7.318 1.00 0.00 N ATOM 683 CA HIS A 48 5.873 -4.092 -8.301 1.00 0.00 C ATOM 684 C HIS A 48 5.058 -4.155 -9.589 1.00 0.00 C ATOM 685 O HIS A 48 5.613 -4.172 -10.688 1.00 0.00 O ATOM 686 CB HIS A 48 6.058 -5.499 -7.732 1.00 0.00 C ATOM 687 CG HIS A 48 7.123 -5.585 -6.682 1.00 0.00 C ATOM 688 ND1 HIS A 48 8.287 -6.305 -6.848 1.00 0.00 N ATOM 689 CD2 HIS A 48 7.195 -5.035 -5.447 1.00 0.00 C ATOM 690 CE1 HIS A 48 9.029 -6.196 -5.761 1.00 0.00 C ATOM 691 NE2 HIS A 48 8.389 -5.430 -4.895 1.00 0.00 N ATOM 0 H HIS A 48 4.719 -3.728 -6.587 1.00 0.00 H new ATOM 0 HA HIS A 48 6.851 -3.669 -8.531 1.00 0.00 H new ATOM 0 HB2 HIS A 48 5.113 -5.838 -7.308 1.00 0.00 H new ATOM 0 HB3 HIS A 48 6.305 -6.181 -8.545 1.00 0.00 H new ATOM 0 HD2 HIS A 48 6.452 -4.403 -4.983 1.00 0.00 H new ATOM 0 HE1 HIS A 48 9.994 -6.655 -5.606 1.00 0.00 H new ATOM 0 HE2 HIS A 48 8.727 -5.174 -3.967 1.00 0.00 H new ATOM 699 N LYS A 49 3.737 -4.190 -9.446 1.00 0.00 N ATOM 700 CA LYS A 49 2.844 -4.250 -10.597 1.00 0.00 C ATOM 701 C LYS A 49 2.984 -3.001 -11.460 1.00 0.00 C ATOM 702 O LYS A 49 3.540 -3.051 -12.558 1.00 0.00 O ATOM 703 CB LYS A 49 1.393 -4.404 -10.135 1.00 0.00 C ATOM 704 CG LYS A 49 0.892 -5.837 -10.172 1.00 0.00 C ATOM 705 CD LYS A 49 -0.606 -5.898 -10.419 1.00 0.00 C ATOM 706 CE LYS A 49 -0.949 -5.546 -11.858 1.00 0.00 C ATOM 707 NZ LYS A 49 -0.763 -6.706 -12.772 1.00 0.00 N ATOM 0 H LYS A 49 3.261 -4.178 -8.544 1.00 0.00 H new ATOM 0 HA LYS A 49 3.122 -5.117 -11.196 1.00 0.00 H new ATOM 0 HB2 LYS A 49 1.302 -4.022 -9.118 1.00 0.00 H new ATOM 0 HB3 LYS A 49 0.752 -3.788 -10.766 1.00 0.00 H new ATOM 0 HG2 LYS A 49 1.414 -6.386 -10.956 1.00 0.00 H new ATOM 0 HG3 LYS A 49 1.126 -6.330 -9.228 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -0.973 -6.899 -10.191 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -1.115 -5.210 -9.744 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -1.982 -5.203 -11.912 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -0.321 -4.719 -12.189 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -1.007 -6.425 -13.743 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 0.229 -7.017 -12.740 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -1.381 -7.487 -12.472 1.00 0.00 H new ATOM 721 N HIS A 50 2.477 -1.879 -10.957 1.00 0.00 N ATOM 722 CA HIS A 50 2.548 -0.616 -11.682 1.00 0.00 C ATOM 723 C HIS A 50 3.934 0.008 -11.553 1.00 0.00 C ATOM 724 O HIS A 50 4.130 1.182 -11.866 1.00 0.00 O ATOM 725 CB HIS A 50 1.489 0.356 -11.161 1.00 0.00 C ATOM 726 CG HIS A 50 0.086 -0.144 -11.323 1.00 0.00 C ATOM 727 ND1 HIS A 50 -0.570 -0.165 -12.536 1.00 0.00 N ATOM 728 CD2 HIS A 50 -0.786 -0.645 -10.417 1.00 0.00 C ATOM 729 CE1 HIS A 50 -1.785 -0.656 -12.369 1.00 0.00 C ATOM 730 NE2 HIS A 50 -1.941 -0.955 -11.092 1.00 0.00 N ATOM 0 H HIS A 50 2.013 -1.820 -10.051 1.00 0.00 H new ATOM 0 HA HIS A 50 2.357 -0.820 -12.736 1.00 0.00 H new ATOM 0 HB2 HIS A 50 1.676 0.553 -10.105 1.00 0.00 H new ATOM 0 HB3 HIS A 50 1.590 1.306 -11.685 1.00 0.00 H new ATOM 0 HD1 HIS A 50 -0.178 0.150 -13.424 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -0.607 -0.776 -9.360 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -2.525 -0.790 -13.144 1.00 0.00 H new ATOM 738 N GLY A 51 4.895 -0.786 -11.089 1.00 0.00 N ATOM 739 CA GLY A 51 6.250 -0.294 -10.926 1.00 0.00 C ATOM 740 C GLY A 51 6.293 1.107 -10.351 1.00 0.00 C ATOM 741 O GLY A 51 7.017 1.970 -10.850 1.00 0.00 O ATOM 0 H GLY A 51 4.759 -1.761 -10.823 1.00 0.00 H new ATOM 0 HA2 GLY A 51 6.802 -0.969 -10.272 1.00 0.00 H new ATOM 0 HA3 GLY A 51 6.755 -0.303 -11.892 1.00 0.00 H new ATOM 745 N LEU A 52 5.515 1.337 -9.299 1.00 0.00 N ATOM 746 CA LEU A 52 5.465 2.646 -8.655 1.00 0.00 C ATOM 747 C LEU A 52 6.865 3.125 -8.287 1.00 0.00 C ATOM 748 O LEU A 52 7.607 2.429 -7.595 1.00 0.00 O ATOM 749 CB LEU A 52 4.588 2.587 -7.404 1.00 0.00 C ATOM 750 CG LEU A 52 3.133 2.171 -7.622 1.00 0.00 C ATOM 751 CD1 LEU A 52 2.451 1.892 -6.291 1.00 0.00 C ATOM 752 CD2 LEU A 52 2.381 3.246 -8.393 1.00 0.00 C ATOM 0 H LEU A 52 4.910 0.635 -8.874 1.00 0.00 H new ATOM 0 HA LEU A 52 5.033 3.355 -9.361 1.00 0.00 H new ATOM 0 HB2 LEU A 52 5.042 1.891 -6.699 1.00 0.00 H new ATOM 0 HB3 LEU A 52 4.597 3.569 -6.932 1.00 0.00 H new ATOM 0 HG LEU A 52 3.122 1.254 -8.211 1.00 0.00 H new ATOM 0 HD11 LEU A 52 1.416 1.597 -6.467 1.00 0.00 H new ATOM 0 HD12 LEU A 52 2.975 1.087 -5.775 1.00 0.00 H new ATOM 0 HD13 LEU A 52 2.472 2.791 -5.676 1.00 0.00 H new ATOM 0 HD21 LEU A 52 1.347 2.933 -8.539 1.00 0.00 H new ATOM 0 HD22 LEU A 52 2.402 4.179 -7.830 1.00 0.00 H new ATOM 0 HD23 LEU A 52 2.855 3.397 -9.363 1.00 0.00 H new ATOM 764 N GLU A 53 7.218 4.319 -8.754 1.00 0.00 N ATOM 765 CA GLU A 53 8.529 4.891 -8.472 1.00 0.00 C ATOM 766 C GLU A 53 8.497 5.720 -7.190 1.00 0.00 C ATOM 767 O GLU A 53 7.446 5.886 -6.572 1.00 0.00 O ATOM 768 CB GLU A 53 8.994 5.760 -9.642 1.00 0.00 C ATOM 769 CG GLU A 53 9.433 4.960 -10.857 1.00 0.00 C ATOM 770 CD GLU A 53 10.805 4.338 -10.681 1.00 0.00 C ATOM 771 OE1 GLU A 53 11.213 4.118 -9.522 1.00 0.00 O ATOM 772 OE2 GLU A 53 11.470 4.071 -11.704 1.00 0.00 O ATOM 0 H GLU A 53 6.615 4.908 -9.328 1.00 0.00 H new ATOM 0 HA GLU A 53 9.233 4.070 -8.336 1.00 0.00 H new ATOM 0 HB2 GLU A 53 8.184 6.429 -9.931 1.00 0.00 H new ATOM 0 HB3 GLU A 53 9.822 6.387 -9.311 1.00 0.00 H new ATOM 0 HG2 GLU A 53 8.704 4.174 -11.052 1.00 0.00 H new ATOM 0 HG3 GLU A 53 9.442 5.610 -11.732 1.00 0.00 H new ATOM 779 N PHE A 54 9.657 6.236 -6.798 1.00 0.00 N ATOM 780 CA PHE A 54 9.763 7.046 -5.590 1.00 0.00 C ATOM 781 C PHE A 54 8.502 7.879 -5.381 1.00 0.00 C ATOM 782 O PHE A 54 7.878 7.826 -4.320 1.00 0.00 O ATOM 783 CB PHE A 54 10.985 7.963 -5.670 1.00 0.00 C ATOM 784 CG PHE A 54 10.978 9.064 -4.648 1.00 0.00 C ATOM 785 CD1 PHE A 54 11.426 8.832 -3.358 1.00 0.00 C ATOM 786 CD2 PHE A 54 10.521 10.330 -4.978 1.00 0.00 C ATOM 787 CE1 PHE A 54 11.421 9.843 -2.415 1.00 0.00 C ATOM 788 CE2 PHE A 54 10.514 11.344 -4.039 1.00 0.00 C ATOM 789 CZ PHE A 54 10.964 11.100 -2.756 1.00 0.00 C ATOM 0 H PHE A 54 10.536 6.108 -7.299 1.00 0.00 H new ATOM 0 HA PHE A 54 9.878 6.372 -4.741 1.00 0.00 H new ATOM 0 HB2 PHE A 54 11.887 7.365 -5.541 1.00 0.00 H new ATOM 0 HB3 PHE A 54 11.034 8.403 -6.666 1.00 0.00 H new ATOM 0 HD1 PHE A 54 11.783 7.850 -3.086 1.00 0.00 H new ATOM 0 HD2 PHE A 54 10.167 10.526 -5.979 1.00 0.00 H new ATOM 0 HE1 PHE A 54 11.774 9.649 -1.413 1.00 0.00 H new ATOM 0 HE2 PHE A 54 10.157 12.327 -4.308 1.00 0.00 H new ATOM 0 HZ PHE A 54 10.958 11.891 -2.021 1.00 0.00 H new ATOM 799 N TYR A 55 8.132 8.648 -6.399 1.00 0.00 N ATOM 800 CA TYR A 55 6.948 9.495 -6.327 1.00 0.00 C ATOM 801 C TYR A 55 5.679 8.677 -6.549 1.00 0.00 C ATOM 802 O TYR A 55 4.662 8.897 -5.892 1.00 0.00 O ATOM 803 CB TYR A 55 7.033 10.617 -7.363 1.00 0.00 C ATOM 804 CG TYR A 55 7.881 11.788 -6.920 1.00 0.00 C ATOM 805 CD1 TYR A 55 7.483 12.599 -5.865 1.00 0.00 C ATOM 806 CD2 TYR A 55 9.081 12.081 -7.556 1.00 0.00 C ATOM 807 CE1 TYR A 55 8.255 13.670 -5.457 1.00 0.00 C ATOM 808 CE2 TYR A 55 9.860 13.149 -7.154 1.00 0.00 C ATOM 809 CZ TYR A 55 9.442 13.941 -6.105 1.00 0.00 C ATOM 810 OH TYR A 55 10.214 15.006 -5.701 1.00 0.00 O ATOM 0 H TYR A 55 8.636 8.702 -7.284 1.00 0.00 H new ATOM 0 HA TYR A 55 6.906 9.933 -5.330 1.00 0.00 H new ATOM 0 HB2 TYR A 55 7.441 10.214 -8.290 1.00 0.00 H new ATOM 0 HB3 TYR A 55 6.027 10.972 -7.585 1.00 0.00 H new ATOM 0 HD1 TYR A 55 6.554 12.389 -5.355 1.00 0.00 H new ATOM 0 HD2 TYR A 55 9.410 11.464 -8.379 1.00 0.00 H new ATOM 0 HE1 TYR A 55 7.931 14.291 -4.635 1.00 0.00 H new ATOM 0 HE2 TYR A 55 10.791 13.362 -7.658 1.00 0.00 H new ATOM 0 HH TYR A 55 11.017 15.058 -6.260 1.00 0.00 H new ATOM 820 N GLY A 56 5.748 7.732 -7.481 1.00 0.00 N ATOM 821 CA GLY A 56 4.600 6.894 -7.775 1.00 0.00 C ATOM 822 C GLY A 56 3.896 6.416 -6.520 1.00 0.00 C ATOM 823 O GLY A 56 2.710 6.686 -6.324 1.00 0.00 O ATOM 0 H GLY A 56 6.579 7.531 -8.038 1.00 0.00 H new ATOM 0 HA2 GLY A 56 3.896 7.451 -8.393 1.00 0.00 H new ATOM 0 HA3 GLY A 56 4.923 6.031 -8.358 1.00 0.00 H new ATOM 827 N TYR A 57 4.625 5.702 -5.670 1.00 0.00 N ATOM 828 CA TYR A 57 4.062 5.182 -4.430 1.00 0.00 C ATOM 829 C TYR A 57 3.254 6.254 -3.706 1.00 0.00 C ATOM 830 O TYR A 57 2.129 6.009 -3.268 1.00 0.00 O ATOM 831 CB TYR A 57 5.175 4.663 -3.518 1.00 0.00 C ATOM 832 CG TYR A 57 4.748 4.496 -2.077 1.00 0.00 C ATOM 833 CD1 TYR A 57 3.938 3.435 -1.691 1.00 0.00 C ATOM 834 CD2 TYR A 57 5.154 5.398 -1.102 1.00 0.00 C ATOM 835 CE1 TYR A 57 3.544 3.278 -0.376 1.00 0.00 C ATOM 836 CE2 TYR A 57 4.767 5.248 0.216 1.00 0.00 C ATOM 837 CZ TYR A 57 3.962 4.187 0.574 1.00 0.00 C ATOM 838 OH TYR A 57 3.573 4.035 1.885 1.00 0.00 O ATOM 0 H TYR A 57 5.607 5.470 -5.817 1.00 0.00 H new ATOM 0 HA TYR A 57 3.394 4.358 -4.682 1.00 0.00 H new ATOM 0 HB2 TYR A 57 5.527 3.704 -3.898 1.00 0.00 H new ATOM 0 HB3 TYR A 57 6.019 5.351 -3.561 1.00 0.00 H new ATOM 0 HD1 TYR A 57 3.611 2.721 -2.432 1.00 0.00 H new ATOM 0 HD2 TYR A 57 5.783 6.231 -1.379 1.00 0.00 H new ATOM 0 HE1 TYR A 57 2.913 2.449 -0.093 1.00 0.00 H new ATOM 0 HE2 TYR A 57 5.093 5.958 0.962 1.00 0.00 H new ATOM 0 HH TYR A 57 4.053 4.680 2.445 1.00 0.00 H new ATOM 848 N ILE A 58 3.835 7.443 -3.586 1.00 0.00 N ATOM 849 CA ILE A 58 3.169 8.554 -2.917 1.00 0.00 C ATOM 850 C ILE A 58 1.784 8.800 -3.506 1.00 0.00 C ATOM 851 O ILE A 58 0.788 8.842 -2.784 1.00 0.00 O ATOM 852 CB ILE A 58 3.995 9.849 -3.019 1.00 0.00 C ATOM 853 CG1 ILE A 58 5.405 9.625 -2.468 1.00 0.00 C ATOM 854 CG2 ILE A 58 3.303 10.980 -2.272 1.00 0.00 C ATOM 855 CD1 ILE A 58 6.357 10.764 -2.762 1.00 0.00 C ATOM 0 H ILE A 58 4.765 7.662 -3.943 1.00 0.00 H new ATOM 0 HA ILE A 58 3.071 8.277 -1.867 1.00 0.00 H new ATOM 0 HB ILE A 58 4.075 10.129 -4.069 1.00 0.00 H new ATOM 0 HG12 ILE A 58 5.346 9.481 -1.389 1.00 0.00 H new ATOM 0 HG13 ILE A 58 5.810 8.706 -2.891 1.00 0.00 H new ATOM 0 HG21 ILE A 58 3.900 11.889 -2.354 1.00 0.00 H new ATOM 0 HG22 ILE A 58 2.318 11.153 -2.705 1.00 0.00 H new ATOM 0 HG23 ILE A 58 3.195 10.710 -1.222 1.00 0.00 H new ATOM 0 HD11 ILE A 58 7.337 10.537 -2.342 1.00 0.00 H new ATOM 0 HD12 ILE A 58 6.446 10.895 -3.840 1.00 0.00 H new ATOM 0 HD13 ILE A 58 5.975 11.682 -2.315 1.00 0.00 H new ATOM 867 N LYS A 59 1.728 8.960 -4.824 1.00 0.00 N ATOM 868 CA LYS A 59 0.466 9.199 -5.514 1.00 0.00 C ATOM 869 C LYS A 59 -0.555 8.119 -5.168 1.00 0.00 C ATOM 870 O LYS A 59 -1.727 8.413 -4.925 1.00 0.00 O ATOM 871 CB LYS A 59 0.687 9.241 -7.027 1.00 0.00 C ATOM 872 CG LYS A 59 1.623 10.351 -7.474 1.00 0.00 C ATOM 873 CD LYS A 59 1.534 10.585 -8.973 1.00 0.00 C ATOM 874 CE LYS A 59 2.769 11.299 -9.500 1.00 0.00 C ATOM 875 NZ LYS A 59 3.966 10.414 -9.497 1.00 0.00 N ATOM 0 H LYS A 59 2.543 8.928 -5.436 1.00 0.00 H new ATOM 0 HA LYS A 59 0.077 10.162 -5.184 1.00 0.00 H new ATOM 0 HB2 LYS A 59 1.091 8.283 -7.354 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -0.275 9.367 -7.523 1.00 0.00 H new ATOM 0 HG2 LYS A 59 1.376 11.272 -6.946 1.00 0.00 H new ATOM 0 HG3 LYS A 59 2.648 10.095 -7.205 1.00 0.00 H new ATOM 0 HD2 LYS A 59 1.418 9.630 -9.485 1.00 0.00 H new ATOM 0 HD3 LYS A 59 0.647 11.177 -9.198 1.00 0.00 H new ATOM 0 HE2 LYS A 59 2.580 11.650 -10.514 1.00 0.00 H new ATOM 0 HE3 LYS A 59 2.967 12.180 -8.889 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 4.740 10.876 -10.016 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 4.264 10.236 -8.517 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 3.731 9.511 -9.957 1.00 0.00 H new ATOM 889 N LEU A 60 -0.104 6.870 -5.148 1.00 0.00 N ATOM 890 CA LEU A 60 -0.979 5.746 -4.830 1.00 0.00 C ATOM 891 C LEU A 60 -1.669 5.956 -3.486 1.00 0.00 C ATOM 892 O LEU A 60 -2.887 5.815 -3.375 1.00 0.00 O ATOM 893 CB LEU A 60 -0.178 4.443 -4.808 1.00 0.00 C ATOM 894 CG LEU A 60 -0.991 3.159 -4.632 1.00 0.00 C ATOM 895 CD1 LEU A 60 -1.358 2.956 -3.170 1.00 0.00 C ATOM 896 CD2 LEU A 60 -2.242 3.198 -5.498 1.00 0.00 C ATOM 0 H LEU A 60 0.862 6.609 -5.348 1.00 0.00 H new ATOM 0 HA LEU A 60 -1.745 5.682 -5.603 1.00 0.00 H new ATOM 0 HB2 LEU A 60 0.384 4.369 -5.739 1.00 0.00 H new ATOM 0 HB3 LEU A 60 0.551 4.501 -4.000 1.00 0.00 H new ATOM 0 HG LEU A 60 -0.378 2.316 -4.951 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -1.936 2.038 -3.064 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -0.449 2.883 -2.573 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -1.953 3.801 -2.823 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -2.809 2.277 -5.361 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -2.858 4.050 -5.209 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -1.957 3.295 -6.545 1.00 0.00 H new ATOM 908 N ILE A 61 -0.883 6.295 -2.470 1.00 0.00 N ATOM 909 CA ILE A 61 -1.420 6.528 -1.135 1.00 0.00 C ATOM 910 C ILE A 61 -2.428 7.671 -1.139 1.00 0.00 C ATOM 911 O ILE A 61 -3.619 7.463 -0.912 1.00 0.00 O ATOM 912 CB ILE A 61 -0.300 6.848 -0.127 1.00 0.00 C ATOM 913 CG1 ILE A 61 0.663 5.666 -0.007 1.00 0.00 C ATOM 914 CG2 ILE A 61 -0.894 7.194 1.231 1.00 0.00 C ATOM 915 CD1 ILE A 61 -0.028 4.350 0.276 1.00 0.00 C ATOM 0 H ILE A 61 0.127 6.414 -2.546 1.00 0.00 H new ATOM 0 HA ILE A 61 -1.920 5.609 -0.831 1.00 0.00 H new ATOM 0 HB ILE A 61 0.259 7.711 -0.489 1.00 0.00 H new ATOM 0 HG12 ILE A 61 1.233 5.576 -0.932 1.00 0.00 H new ATOM 0 HG13 ILE A 61 1.379 5.870 0.790 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -0.091 7.418 1.933 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -1.543 8.064 1.133 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -1.474 6.348 1.601 1.00 0.00 H new ATOM 0 HD11 ILE A 61 0.716 3.557 0.348 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -0.575 4.421 1.216 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -0.723 4.123 -0.532 1.00 0.00 H new ATOM 927 N ASN A 62 -1.942 8.880 -1.401 1.00 0.00 N ATOM 928 CA ASN A 62 -2.801 10.058 -1.436 1.00 0.00 C ATOM 929 C ASN A 62 -3.982 9.842 -2.378 1.00 0.00 C ATOM 930 O ASN A 62 -5.070 10.375 -2.159 1.00 0.00 O ATOM 931 CB ASN A 62 -2.001 11.286 -1.877 1.00 0.00 C ATOM 932 CG ASN A 62 -1.034 11.759 -0.809 1.00 0.00 C ATOM 933 OD1 ASN A 62 -1.365 11.787 0.376 1.00 0.00 O ATOM 934 ND2 ASN A 62 0.170 12.134 -1.226 1.00 0.00 N ATOM 0 H ASN A 62 -0.958 9.070 -1.592 1.00 0.00 H new ATOM 0 HA ASN A 62 -3.186 10.226 -0.430 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -1.447 11.049 -2.785 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -2.689 12.095 -2.125 1.00 0.00 H new ATOM 0 HD21 ASN A 62 0.863 12.462 -0.554 1.00 0.00 H new ATOM 0 HD22 ASN A 62 0.401 12.094 -2.219 1.00 0.00 H new ATOM 941 N PHE A 63 -3.759 9.057 -3.427 1.00 0.00 N ATOM 942 CA PHE A 63 -4.804 8.770 -4.403 1.00 0.00 C ATOM 943 C PHE A 63 -6.046 8.205 -3.720 1.00 0.00 C ATOM 944 O PHE A 63 -7.165 8.650 -3.977 1.00 0.00 O ATOM 945 CB PHE A 63 -4.292 7.783 -5.454 1.00 0.00 C ATOM 946 CG PHE A 63 -5.371 6.915 -6.036 1.00 0.00 C ATOM 947 CD1 PHE A 63 -6.417 7.473 -6.753 1.00 0.00 C ATOM 948 CD2 PHE A 63 -5.339 5.540 -5.866 1.00 0.00 C ATOM 949 CE1 PHE A 63 -7.411 6.677 -7.290 1.00 0.00 C ATOM 950 CE2 PHE A 63 -6.329 4.739 -6.402 1.00 0.00 C ATOM 951 CZ PHE A 63 -7.367 5.308 -7.113 1.00 0.00 C ATOM 0 H PHE A 63 -2.864 8.608 -3.623 1.00 0.00 H new ATOM 0 HA PHE A 63 -5.075 9.705 -4.894 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -3.810 8.339 -6.258 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -3.529 7.148 -5.004 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -6.456 8.543 -6.894 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -4.531 5.090 -5.308 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -8.221 7.125 -7.847 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -6.291 3.668 -6.265 1.00 0.00 H new ATOM 0 HZ PHE A 63 -8.143 4.683 -7.530 1.00 0.00 H new ATOM 961 N ILE A 64 -5.840 7.222 -2.850 1.00 0.00 N ATOM 962 CA ILE A 64 -6.942 6.596 -2.130 1.00 0.00 C ATOM 963 C ILE A 64 -7.466 7.509 -1.027 1.00 0.00 C ATOM 964 O ILE A 64 -8.609 7.376 -0.588 1.00 0.00 O ATOM 965 CB ILE A 64 -6.518 5.252 -1.510 1.00 0.00 C ATOM 966 CG1 ILE A 64 -5.759 4.408 -2.537 1.00 0.00 C ATOM 967 CG2 ILE A 64 -7.735 4.499 -0.994 1.00 0.00 C ATOM 968 CD1 ILE A 64 -5.052 3.214 -1.935 1.00 0.00 C ATOM 0 H ILE A 64 -4.920 6.842 -2.627 1.00 0.00 H new ATOM 0 HA ILE A 64 -7.734 6.417 -2.858 1.00 0.00 H new ATOM 0 HB ILE A 64 -5.854 5.451 -0.669 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -6.458 4.060 -3.297 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -5.026 5.037 -3.042 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -7.419 3.551 -0.559 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -8.238 5.097 -0.234 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -8.422 4.308 -1.819 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -4.536 2.663 -2.721 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -4.328 3.555 -1.195 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -5.782 2.563 -1.455 1.00 0.00 H new ATOM 980 N ARG A 65 -6.625 8.437 -0.584 1.00 0.00 N ATOM 981 CA ARG A 65 -7.003 9.373 0.467 1.00 0.00 C ATOM 982 C ARG A 65 -7.984 10.416 -0.061 1.00 0.00 C ATOM 983 O ARG A 65 -8.841 10.908 0.676 1.00 0.00 O ATOM 984 CB ARG A 65 -5.763 10.065 1.035 1.00 0.00 C ATOM 985 CG ARG A 65 -4.757 9.105 1.649 1.00 0.00 C ATOM 986 CD ARG A 65 -5.244 8.568 2.985 1.00 0.00 C ATOM 987 NE ARG A 65 -4.137 8.252 3.884 1.00 0.00 N ATOM 988 CZ ARG A 65 -4.302 7.766 5.110 1.00 0.00 C ATOM 989 NH1 ARG A 65 -5.521 7.540 5.579 1.00 0.00 N ATOM 990 NH2 ARG A 65 -3.245 7.504 5.868 1.00 0.00 N ATOM 0 H ARG A 65 -5.676 8.561 -0.937 1.00 0.00 H new ATOM 0 HA ARG A 65 -7.491 8.809 1.262 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -5.276 10.629 0.240 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -6.074 10.785 1.792 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -4.580 8.275 0.965 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -3.803 9.614 1.786 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -5.895 9.305 3.456 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -5.843 7.673 2.819 1.00 0.00 H new ATOM 0 HE ARG A 65 -3.186 8.413 3.553 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -6.336 7.739 4.999 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -5.644 7.167 6.520 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -2.305 7.676 5.510 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -3.372 7.131 6.809 1.00 0.00 H new ATOM 1004 N LEU A 66 -7.852 10.750 -1.340 1.00 0.00 N ATOM 1005 CA LEU A 66 -8.726 11.736 -1.967 1.00 0.00 C ATOM 1006 C LEU A 66 -9.921 11.059 -2.632 1.00 0.00 C ATOM 1007 O LEU A 66 -11.073 11.365 -2.324 1.00 0.00 O ATOM 1008 CB LEU A 66 -7.948 12.553 -3.000 1.00 0.00 C ATOM 1009 CG LEU A 66 -8.629 13.828 -3.497 1.00 0.00 C ATOM 1010 CD1 LEU A 66 -7.592 14.880 -3.861 1.00 0.00 C ATOM 1011 CD2 LEU A 66 -9.524 13.525 -4.690 1.00 0.00 C ATOM 0 H LEU A 66 -7.149 10.353 -1.963 1.00 0.00 H new ATOM 0 HA LEU A 66 -9.096 12.404 -1.189 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -6.984 12.824 -2.569 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -7.744 11.915 -3.860 1.00 0.00 H new ATOM 0 HG LEU A 66 -9.250 14.222 -2.693 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -8.095 15.781 -4.213 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -6.992 15.119 -2.983 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -6.944 14.495 -4.649 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -10.000 14.444 -5.030 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -8.924 13.107 -5.498 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -10.290 12.806 -4.397 1.00 0.00 H new ATOM 1023 N LYS A 67 -9.638 10.136 -3.545 1.00 0.00 N ATOM 1024 CA LYS A 67 -10.688 9.412 -4.252 1.00 0.00 C ATOM 1025 C LYS A 67 -11.473 8.520 -3.296 1.00 0.00 C ATOM 1026 O LYS A 67 -12.703 8.513 -3.308 1.00 0.00 O ATOM 1027 CB LYS A 67 -10.085 8.567 -5.376 1.00 0.00 C ATOM 1028 CG LYS A 67 -9.901 9.327 -6.678 1.00 0.00 C ATOM 1029 CD LYS A 67 -11.214 9.471 -7.430 1.00 0.00 C ATOM 1030 CE LYS A 67 -10.999 10.045 -8.822 1.00 0.00 C ATOM 1031 NZ LYS A 67 -12.287 10.383 -9.487 1.00 0.00 N ATOM 0 H LYS A 67 -8.690 9.872 -3.813 1.00 0.00 H new ATOM 0 HA LYS A 67 -11.372 10.143 -4.682 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -9.119 8.181 -5.051 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -10.728 7.705 -5.556 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -9.490 10.315 -6.469 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -9.177 8.807 -7.305 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -11.699 8.498 -7.507 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -11.887 10.119 -6.868 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -10.379 10.939 -8.754 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -10.454 9.325 -9.432 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -12.098 10.771 -10.433 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -12.868 9.525 -9.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -12.796 11.089 -8.919 1.00 0.00 H new ATOM 1045 N ASN A 68 -10.753 7.770 -2.468 1.00 0.00 N ATOM 1046 CA ASN A 68 -11.383 6.875 -1.504 1.00 0.00 C ATOM 1047 C ASN A 68 -12.179 5.784 -2.215 1.00 0.00 C ATOM 1048 O ASN A 68 -13.333 5.508 -1.885 1.00 0.00 O ATOM 1049 CB ASN A 68 -12.300 7.664 -0.568 1.00 0.00 C ATOM 1050 CG ASN A 68 -11.539 8.667 0.277 1.00 0.00 C ATOM 1051 OD1 ASN A 68 -11.186 8.389 1.423 1.00 0.00 O ATOM 1052 ND2 ASN A 68 -11.284 9.842 -0.286 1.00 0.00 N ATOM 0 H ASN A 68 -9.733 7.764 -2.445 1.00 0.00 H new ATOM 0 HA ASN A 68 -10.596 6.402 -0.916 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -13.053 8.187 -1.157 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -12.831 6.971 0.085 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -10.776 10.557 0.234 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -11.596 10.029 -1.239 1.00 0.00 H new ATOM 1059 N PRO A 69 -11.550 5.147 -3.214 1.00 0.00 N ATOM 1060 CA PRO A 69 -12.180 4.076 -3.991 1.00 0.00 C ATOM 1061 C PRO A 69 -12.375 2.804 -3.172 1.00 0.00 C ATOM 1062 O PRO A 69 -12.218 2.809 -1.951 1.00 0.00 O ATOM 1063 CB PRO A 69 -11.186 3.832 -5.129 1.00 0.00 C ATOM 1064 CG PRO A 69 -9.872 4.279 -4.587 1.00 0.00 C ATOM 1065 CD PRO A 69 -10.174 5.424 -3.661 1.00 0.00 C ATOM 0 HA PRO A 69 -13.178 4.351 -4.331 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -11.160 2.780 -5.413 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -11.459 4.396 -6.021 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -9.373 3.469 -4.056 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -9.205 4.592 -5.390 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -9.478 5.457 -2.823 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -10.103 6.384 -4.172 1.00 0.00 H new ATOM 1073 N THR A 70 -12.718 1.715 -3.853 1.00 0.00 N ATOM 1074 CA THR A 70 -12.935 0.436 -3.189 1.00 0.00 C ATOM 1075 C THR A 70 -11.978 -0.627 -3.715 1.00 0.00 C ATOM 1076 O THR A 70 -11.575 -0.593 -4.878 1.00 0.00 O ATOM 1077 CB THR A 70 -14.383 -0.056 -3.376 1.00 0.00 C ATOM 1078 OG1 THR A 70 -14.600 -1.245 -2.608 1.00 0.00 O ATOM 1079 CG2 THR A 70 -14.674 -0.333 -4.843 1.00 0.00 C ATOM 0 H THR A 70 -12.851 1.693 -4.864 1.00 0.00 H new ATOM 0 HA THR A 70 -12.747 0.596 -2.127 1.00 0.00 H new ATOM 0 HB THR A 70 -15.057 0.727 -3.029 1.00 0.00 H new ATOM 0 HG1 THR A 70 -15.523 -1.550 -2.731 1.00 0.00 H new ATOM 0 HG21 THR A 70 -15.702 -0.679 -4.951 1.00 0.00 H new ATOM 0 HG22 THR A 70 -14.537 0.581 -5.420 1.00 0.00 H new ATOM 0 HG23 THR A 70 -13.992 -1.100 -5.211 1.00 0.00 H new ATOM 1087 N VAL A 71 -11.616 -1.571 -2.852 1.00 0.00 N ATOM 1088 CA VAL A 71 -10.706 -2.646 -3.231 1.00 0.00 C ATOM 1089 C VAL A 71 -11.060 -3.206 -4.604 1.00 0.00 C ATOM 1090 O VAL A 71 -10.225 -3.236 -5.507 1.00 0.00 O ATOM 1091 CB VAL A 71 -10.729 -3.790 -2.200 1.00 0.00 C ATOM 1092 CG1 VAL A 71 -9.756 -4.889 -2.601 1.00 0.00 C ATOM 1093 CG2 VAL A 71 -10.405 -3.261 -0.811 1.00 0.00 C ATOM 0 H VAL A 71 -11.939 -1.613 -1.885 1.00 0.00 H new ATOM 0 HA VAL A 71 -9.704 -2.217 -3.264 1.00 0.00 H new ATOM 0 HB VAL A 71 -11.732 -4.216 -2.177 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -9.786 -5.689 -1.861 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -10.037 -5.286 -3.576 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -8.747 -4.480 -2.653 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -10.426 -4.082 -0.095 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -9.413 -2.809 -0.816 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -11.144 -2.512 -0.525 1.00 0.00 H new ATOM 1103 N GLU A 72 -12.305 -3.649 -4.754 1.00 0.00 N ATOM 1104 CA GLU A 72 -12.769 -4.210 -6.017 1.00 0.00 C ATOM 1105 C GLU A 72 -12.174 -3.451 -7.200 1.00 0.00 C ATOM 1106 O GLU A 72 -11.871 -4.037 -8.239 1.00 0.00 O ATOM 1107 CB GLU A 72 -14.297 -4.170 -6.088 1.00 0.00 C ATOM 1108 CG GLU A 72 -14.964 -5.417 -5.534 1.00 0.00 C ATOM 1109 CD GLU A 72 -14.622 -6.664 -6.327 1.00 0.00 C ATOM 1110 OE1 GLU A 72 -13.564 -7.269 -6.055 1.00 0.00 O ATOM 1111 OE2 GLU A 72 -15.413 -7.034 -7.219 1.00 0.00 O ATOM 0 H GLU A 72 -13.009 -3.630 -4.017 1.00 0.00 H new ATOM 0 HA GLU A 72 -12.437 -5.247 -6.068 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -14.655 -3.301 -5.536 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -14.601 -4.036 -7.126 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -14.660 -5.556 -4.496 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -16.045 -5.276 -5.534 1.00 0.00 H new ATOM 1118 N TYR A 73 -12.011 -2.143 -7.034 1.00 0.00 N ATOM 1119 CA TYR A 73 -11.455 -1.302 -8.088 1.00 0.00 C ATOM 1120 C TYR A 73 -9.948 -1.502 -8.207 1.00 0.00 C ATOM 1121 O TYR A 73 -9.432 -1.788 -9.287 1.00 0.00 O ATOM 1122 CB TYR A 73 -11.765 0.170 -7.811 1.00 0.00 C ATOM 1123 CG TYR A 73 -11.141 1.118 -8.809 1.00 0.00 C ATOM 1124 CD1 TYR A 73 -11.589 1.169 -10.124 1.00 0.00 C ATOM 1125 CD2 TYR A 73 -10.104 1.965 -8.438 1.00 0.00 C ATOM 1126 CE1 TYR A 73 -11.020 2.033 -11.039 1.00 0.00 C ATOM 1127 CE2 TYR A 73 -9.530 2.834 -9.346 1.00 0.00 C ATOM 1128 CZ TYR A 73 -9.992 2.864 -10.646 1.00 0.00 C ATOM 1129 OH TYR A 73 -9.424 3.727 -11.554 1.00 0.00 O ATOM 0 H TYR A 73 -12.256 -1.642 -6.180 1.00 0.00 H new ATOM 0 HA TYR A 73 -11.917 -1.593 -9.031 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -12.846 0.312 -7.814 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -11.413 0.425 -6.811 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -12.396 0.522 -10.435 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -9.740 1.944 -7.421 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -11.378 2.058 -12.057 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -8.725 3.486 -9.040 1.00 0.00 H new ATOM 0 HH TYR A 73 -10.094 3.988 -12.220 1.00 0.00 H new ATOM 1139 N MET A 74 -9.247 -1.350 -7.088 1.00 0.00 N ATOM 1140 CA MET A 74 -7.798 -1.516 -7.065 1.00 0.00 C ATOM 1141 C MET A 74 -7.390 -2.826 -7.732 1.00 0.00 C ATOM 1142 O MET A 74 -6.293 -2.940 -8.276 1.00 0.00 O ATOM 1143 CB MET A 74 -7.282 -1.480 -5.625 1.00 0.00 C ATOM 1144 CG MET A 74 -7.553 -0.163 -4.915 1.00 0.00 C ATOM 1145 SD MET A 74 -6.249 0.278 -3.750 1.00 0.00 S ATOM 1146 CE MET A 74 -5.074 1.075 -4.842 1.00 0.00 C ATOM 0 H MET A 74 -9.659 -1.112 -6.186 1.00 0.00 H new ATOM 0 HA MET A 74 -7.354 -0.692 -7.623 1.00 0.00 H new ATOM 0 HB2 MET A 74 -7.746 -2.289 -5.061 1.00 0.00 H new ATOM 0 HB3 MET A 74 -6.208 -1.668 -5.628 1.00 0.00 H new ATOM 0 HG2 MET A 74 -7.657 0.630 -5.656 1.00 0.00 H new ATOM 0 HG3 MET A 74 -8.502 -0.230 -4.384 1.00 0.00 H new ATOM 0 HE1 MET A 74 -4.061 0.885 -4.488 1.00 0.00 H new ATOM 0 HE2 MET A 74 -5.186 0.677 -5.850 1.00 0.00 H new ATOM 0 HE3 MET A 74 -5.259 2.149 -4.853 1.00 0.00 H new ATOM 1156 N ASN A 75 -8.281 -3.811 -7.684 1.00 0.00 N ATOM 1157 CA ASN A 75 -8.013 -5.114 -8.283 1.00 0.00 C ATOM 1158 C ASN A 75 -7.810 -4.988 -9.790 1.00 0.00 C ATOM 1159 O ASN A 75 -7.036 -5.735 -10.387 1.00 0.00 O ATOM 1160 CB ASN A 75 -9.162 -6.080 -7.990 1.00 0.00 C ATOM 1161 CG ASN A 75 -9.185 -6.529 -6.541 1.00 0.00 C ATOM 1162 OD1 ASN A 75 -8.141 -6.645 -5.900 1.00 0.00 O ATOM 1163 ND2 ASN A 75 -10.379 -6.784 -6.020 1.00 0.00 N ATOM 0 H ASN A 75 -9.194 -3.732 -7.237 1.00 0.00 H new ATOM 0 HA ASN A 75 -7.097 -5.507 -7.843 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -10.109 -5.598 -8.233 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -9.073 -6.953 -8.637 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -10.457 -7.090 -5.050 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -11.218 -6.674 -6.590 1.00 0.00 H new ATOM 1170 N SER A 76 -8.513 -4.038 -10.398 1.00 0.00 N ATOM 1171 CA SER A 76 -8.413 -3.816 -11.836 1.00 0.00 C ATOM 1172 C SER A 76 -7.964 -2.389 -12.136 1.00 0.00 C ATOM 1173 O SER A 76 -8.787 -1.503 -12.365 1.00 0.00 O ATOM 1174 CB SER A 76 -9.759 -4.091 -12.510 1.00 0.00 C ATOM 1175 OG SER A 76 -10.063 -5.475 -12.496 1.00 0.00 O ATOM 0 H SER A 76 -9.158 -3.410 -9.918 1.00 0.00 H new ATOM 0 HA SER A 76 -7.667 -4.504 -12.234 1.00 0.00 H new ATOM 0 HB2 SER A 76 -10.546 -3.537 -11.997 1.00 0.00 H new ATOM 0 HB3 SER A 76 -9.734 -3.731 -13.539 1.00 0.00 H new ATOM 0 HG SER A 76 -10.928 -5.624 -12.931 1.00 0.00 H new ATOM 1181 N ILE A 77 -6.652 -2.176 -12.133 1.00 0.00 N ATOM 1182 CA ILE A 77 -6.092 -0.858 -12.406 1.00 0.00 C ATOM 1183 C ILE A 77 -5.197 -0.886 -13.640 1.00 0.00 C ATOM 1184 O ILE A 77 -4.389 -1.799 -13.813 1.00 0.00 O ATOM 1185 CB ILE A 77 -5.280 -0.333 -11.207 1.00 0.00 C ATOM 1186 CG1 ILE A 77 -6.187 -0.152 -9.989 1.00 0.00 C ATOM 1187 CG2 ILE A 77 -4.597 0.978 -11.565 1.00 0.00 C ATOM 1188 CD1 ILE A 77 -7.356 0.775 -10.238 1.00 0.00 C ATOM 0 H ILE A 77 -5.957 -2.899 -11.945 1.00 0.00 H new ATOM 0 HA ILE A 77 -6.933 -0.188 -12.586 1.00 0.00 H new ATOM 0 HB ILE A 77 -4.512 -1.065 -10.958 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -6.566 -1.126 -9.680 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -5.595 0.237 -9.160 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -4.027 1.337 -10.708 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -3.924 0.819 -12.408 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -5.350 1.718 -11.836 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -7.956 0.856 -9.331 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -6.985 1.761 -10.517 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -7.971 0.377 -11.045 1.00 0.00 H new ATOM 1200 N TYR A 78 -5.344 0.121 -14.494 1.00 0.00 N ATOM 1201 CA TYR A 78 -4.549 0.212 -15.712 1.00 0.00 C ATOM 1202 C TYR A 78 -4.075 1.643 -15.947 1.00 0.00 C ATOM 1203 O TYR A 78 -4.428 2.556 -15.202 1.00 0.00 O ATOM 1204 CB TYR A 78 -5.363 -0.271 -16.914 1.00 0.00 C ATOM 1205 CG TYR A 78 -6.508 0.646 -17.278 1.00 0.00 C ATOM 1206 CD1 TYR A 78 -7.616 0.770 -16.449 1.00 0.00 C ATOM 1207 CD2 TYR A 78 -6.482 1.389 -18.452 1.00 0.00 C ATOM 1208 CE1 TYR A 78 -8.665 1.606 -16.778 1.00 0.00 C ATOM 1209 CE2 TYR A 78 -7.526 2.229 -18.789 1.00 0.00 C ATOM 1210 CZ TYR A 78 -8.616 2.333 -17.949 1.00 0.00 C ATOM 1211 OH TYR A 78 -9.658 3.168 -18.280 1.00 0.00 O ATOM 0 H TYR A 78 -6.007 0.886 -14.365 1.00 0.00 H new ATOM 0 HA TYR A 78 -3.674 -0.427 -15.593 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -4.701 -0.371 -17.774 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -5.758 -1.264 -16.699 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -7.658 0.203 -15.531 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -5.631 1.308 -19.112 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -9.519 1.690 -16.122 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -7.489 2.801 -19.704 1.00 0.00 H new ATOM 0 HH TYR A 78 -9.466 3.607 -19.135 1.00 0.00 H new ATOM 1221 N ASN A 79 -3.272 1.830 -16.990 1.00 0.00 N ATOM 1222 CA ASN A 79 -2.749 3.149 -17.325 1.00 0.00 C ATOM 1223 C ASN A 79 -3.611 3.823 -18.388 1.00 0.00 C ATOM 1224 O ASN A 79 -4.122 3.182 -19.307 1.00 0.00 O ATOM 1225 CB ASN A 79 -1.305 3.037 -17.820 1.00 0.00 C ATOM 1226 CG ASN A 79 -0.800 4.331 -18.428 1.00 0.00 C ATOM 1227 OD1 ASN A 79 -1.295 4.660 -19.615 1.00 0.00 O flip ATOM 1228 ND2 ASN A 79 0.025 5.028 -17.835 1.00 0.00 N flip ATOM 0 H ASN A 79 -2.970 1.085 -17.617 1.00 0.00 H new ATOM 0 HA ASN A 79 -2.771 3.761 -16.423 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -0.660 2.753 -16.988 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -1.239 2.240 -18.561 1.00 0.00 H new ATOM 0 HD21 ASN A 79 0.378 4.736 -16.924 1.00 0.00 H new ATOM 0 HD22 ASN A 79 0.354 5.897 -18.255 1.00 0.00 H new ATOM 1235 N PRO A 80 -3.779 5.148 -18.261 1.00 0.00 N ATOM 1236 CA PRO A 80 -3.177 5.921 -17.171 1.00 0.00 C ATOM 1237 C PRO A 80 -3.814 5.612 -15.821 1.00 0.00 C ATOM 1238 O PRO A 80 -5.038 5.619 -15.684 1.00 0.00 O ATOM 1239 CB PRO A 80 -3.450 7.372 -17.572 1.00 0.00 C ATOM 1240 CG PRO A 80 -4.658 7.304 -18.441 1.00 0.00 C ATOM 1241 CD PRO A 80 -4.569 5.993 -19.172 1.00 0.00 C ATOM 0 HA PRO A 80 -2.119 5.692 -17.045 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -3.626 7.998 -16.697 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -2.602 7.801 -18.106 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -5.570 7.358 -17.846 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -4.683 8.140 -19.140 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -5.556 5.569 -19.359 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -4.081 6.105 -20.140 1.00 0.00 H new ATOM 1249 N VAL A 81 -2.977 5.343 -14.824 1.00 0.00 N ATOM 1250 CA VAL A 81 -3.459 5.033 -13.483 1.00 0.00 C ATOM 1251 C VAL A 81 -4.293 6.179 -12.921 1.00 0.00 C ATOM 1252 O VAL A 81 -4.104 7.346 -13.266 1.00 0.00 O ATOM 1253 CB VAL A 81 -2.293 4.741 -12.520 1.00 0.00 C ATOM 1254 CG1 VAL A 81 -1.421 3.619 -13.063 1.00 0.00 C ATOM 1255 CG2 VAL A 81 -1.471 5.999 -12.284 1.00 0.00 C ATOM 0 H VAL A 81 -1.962 5.333 -14.920 1.00 0.00 H new ATOM 0 HA VAL A 81 -4.081 4.142 -13.568 1.00 0.00 H new ATOM 0 HB VAL A 81 -2.705 4.418 -11.564 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -0.602 3.426 -12.370 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -2.020 2.716 -13.177 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -1.015 3.910 -14.032 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -0.651 5.775 -11.601 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -1.067 6.353 -13.232 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -2.105 6.772 -11.849 1.00 0.00 H new ATOM 1265 N PRO A 82 -5.240 5.842 -12.032 1.00 0.00 N ATOM 1266 CA PRO A 82 -6.121 6.828 -11.402 1.00 0.00 C ATOM 1267 C PRO A 82 -5.378 7.725 -10.417 1.00 0.00 C ATOM 1268 O PRO A 82 -5.976 8.591 -9.779 1.00 0.00 O ATOM 1269 CB PRO A 82 -7.151 5.966 -10.667 1.00 0.00 C ATOM 1270 CG PRO A 82 -6.451 4.677 -10.410 1.00 0.00 C ATOM 1271 CD PRO A 82 -5.521 4.471 -11.574 1.00 0.00 C ATOM 0 HA PRO A 82 -6.558 7.509 -12.133 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -7.469 6.436 -9.737 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -8.046 5.817 -11.271 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -5.899 4.713 -9.471 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -7.163 3.856 -10.329 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -4.610 3.953 -11.274 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -5.985 3.872 -12.358 1.00 0.00 H new ATOM 1279 N TRP A 83 -4.073 7.511 -10.299 1.00 0.00 N ATOM 1280 CA TRP A 83 -3.248 8.301 -9.392 1.00 0.00 C ATOM 1281 C TRP A 83 -2.115 8.988 -10.146 1.00 0.00 C ATOM 1282 O TRP A 83 -1.078 9.309 -9.566 1.00 0.00 O ATOM 1283 CB TRP A 83 -2.676 7.413 -8.286 1.00 0.00 C ATOM 1284 CG TRP A 83 -1.780 6.327 -8.799 1.00 0.00 C ATOM 1285 CD1 TRP A 83 -0.489 6.462 -9.223 1.00 0.00 C ATOM 1286 CD2 TRP A 83 -2.109 4.941 -8.944 1.00 0.00 C ATOM 1287 NE1 TRP A 83 0.004 5.244 -9.623 1.00 0.00 N ATOM 1288 CE2 TRP A 83 -0.969 4.294 -9.461 1.00 0.00 C ATOM 1289 CE3 TRP A 83 -3.254 4.183 -8.686 1.00 0.00 C ATOM 1290 CZ2 TRP A 83 -0.945 2.927 -9.725 1.00 0.00 C ATOM 1291 CZ3 TRP A 83 -3.229 2.827 -8.948 1.00 0.00 C ATOM 1292 CH2 TRP A 83 -2.081 2.210 -9.462 1.00 0.00 C ATOM 0 H TRP A 83 -3.563 6.797 -10.820 1.00 0.00 H new ATOM 0 HA TRP A 83 -3.878 9.068 -8.943 1.00 0.00 H new ATOM 0 HB2 TRP A 83 -2.118 8.033 -7.584 1.00 0.00 H new ATOM 0 HB3 TRP A 83 -3.498 6.963 -7.730 1.00 0.00 H new ATOM 0 HD1 TRP A 83 0.063 7.390 -9.241 1.00 0.00 H new ATOM 0 HE1 TRP A 83 0.943 5.074 -9.983 1.00 0.00 H new ATOM 0 HE3 TRP A 83 -4.143 4.649 -8.289 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 -0.062 2.450 -10.123 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 -4.109 2.232 -8.753 1.00 0.00 H new ATOM 0 HH2 TRP A 83 -2.093 1.147 -9.655 1.00 0.00 H new ATOM 1303 N GLU A 84 -2.320 9.211 -11.440 1.00 0.00 N ATOM 1304 CA GLU A 84 -1.313 9.860 -12.272 1.00 0.00 C ATOM 1305 C GLU A 84 -1.535 11.369 -12.316 1.00 0.00 C ATOM 1306 O GLU A 84 -1.439 11.992 -13.374 1.00 0.00 O ATOM 1307 CB GLU A 84 -1.345 9.287 -13.690 1.00 0.00 C ATOM 1308 CG GLU A 84 -0.173 8.372 -14.003 1.00 0.00 C ATOM 1309 CD GLU A 84 1.124 9.132 -14.199 1.00 0.00 C ATOM 1310 OE1 GLU A 84 1.070 10.293 -14.656 1.00 0.00 O ATOM 1311 OE2 GLU A 84 2.195 8.565 -13.895 1.00 0.00 O ATOM 0 H GLU A 84 -3.173 8.952 -11.935 1.00 0.00 H new ATOM 0 HA GLU A 84 -0.335 9.667 -11.832 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -2.274 8.734 -13.828 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -1.354 10.110 -14.405 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -0.050 7.654 -13.192 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -0.394 7.800 -14.904 1.00 0.00 H new ATOM 1318 N LYS A 85 -1.833 11.952 -11.159 1.00 0.00 N ATOM 1319 CA LYS A 85 -2.068 13.388 -11.063 1.00 0.00 C ATOM 1320 C LYS A 85 -1.156 14.020 -10.016 1.00 0.00 C ATOM 1321 O LYS A 85 -1.152 13.610 -8.855 1.00 0.00 O ATOM 1322 CB LYS A 85 -3.532 13.663 -10.713 1.00 0.00 C ATOM 1323 CG LYS A 85 -4.516 13.094 -11.721 1.00 0.00 C ATOM 1324 CD LYS A 85 -4.557 13.927 -12.991 1.00 0.00 C ATOM 1325 CE LYS A 85 -5.005 13.099 -14.186 1.00 0.00 C ATOM 1326 NZ LYS A 85 -5.486 13.955 -15.305 1.00 0.00 N ATOM 0 H LYS A 85 -1.917 11.451 -10.274 1.00 0.00 H new ATOM 0 HA LYS A 85 -1.842 13.834 -12.032 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -3.747 13.242 -9.731 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -3.683 14.740 -10.639 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -4.236 12.069 -11.966 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -5.511 13.055 -11.278 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -5.237 14.768 -12.854 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -3.569 14.344 -13.186 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -4.176 12.482 -14.532 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -5.801 12.421 -13.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -5.782 13.353 -16.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -6.294 14.526 -14.983 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -4.719 14.585 -15.615 1.00 0.00 H new ATOM 1340 N ASP A 86 -0.387 15.019 -10.434 1.00 0.00 N ATOM 1341 CA ASP A 86 0.527 15.709 -9.531 1.00 0.00 C ATOM 1342 C ASP A 86 -0.157 16.028 -8.205 1.00 0.00 C ATOM 1343 O ASP A 86 0.352 15.691 -7.137 1.00 0.00 O ATOM 1344 CB ASP A 86 1.041 16.996 -10.177 1.00 0.00 C ATOM 1345 CG ASP A 86 1.386 16.811 -11.642 1.00 0.00 C ATOM 1346 OD1 ASP A 86 2.055 15.809 -11.971 1.00 0.00 O ATOM 1347 OD2 ASP A 86 0.988 17.668 -12.459 1.00 0.00 O ATOM 0 H ASP A 86 -0.378 15.369 -11.392 1.00 0.00 H new ATOM 0 HA ASP A 86 1.372 15.049 -9.334 1.00 0.00 H new ATOM 0 HB2 ASP A 86 0.284 17.775 -10.080 1.00 0.00 H new ATOM 0 HB3 ASP A 86 1.924 17.341 -9.640 1.00 0.00 H new ATOM 1352 N GLU A 87 -1.312 16.682 -8.283 1.00 0.00 N ATOM 1353 CA GLU A 87 -2.064 17.048 -7.089 1.00 0.00 C ATOM 1354 C GLU A 87 -1.923 15.980 -6.008 1.00 0.00 C ATOM 1355 O GLU A 87 -1.729 16.293 -4.833 1.00 0.00 O ATOM 1356 CB GLU A 87 -3.541 17.251 -7.431 1.00 0.00 C ATOM 1357 CG GLU A 87 -3.790 18.390 -8.406 1.00 0.00 C ATOM 1358 CD GLU A 87 -3.861 19.740 -7.718 1.00 0.00 C ATOM 1359 OE1 GLU A 87 -4.807 19.958 -6.933 1.00 0.00 O ATOM 1360 OE2 GLU A 87 -2.970 20.579 -7.967 1.00 0.00 O ATOM 0 H GLU A 87 -1.747 16.969 -9.160 1.00 0.00 H new ATOM 0 HA GLU A 87 -1.655 17.983 -6.707 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -3.937 16.328 -7.855 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -4.095 17.443 -6.512 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -2.994 18.407 -9.151 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -4.723 18.209 -8.940 1.00 0.00 H new ATOM 1367 N TYR A 88 -2.022 14.720 -6.415 1.00 0.00 N ATOM 1368 CA TYR A 88 -1.909 13.605 -5.482 1.00 0.00 C ATOM 1369 C TYR A 88 -0.590 13.666 -4.717 1.00 0.00 C ATOM 1370 O TYR A 88 -0.556 13.492 -3.498 1.00 0.00 O ATOM 1371 CB TYR A 88 -2.017 12.274 -6.228 1.00 0.00 C ATOM 1372 CG TYR A 88 -3.419 11.953 -6.694 1.00 0.00 C ATOM 1373 CD1 TYR A 88 -4.488 11.969 -5.805 1.00 0.00 C ATOM 1374 CD2 TYR A 88 -3.676 11.634 -8.021 1.00 0.00 C ATOM 1375 CE1 TYR A 88 -5.771 11.676 -6.225 1.00 0.00 C ATOM 1376 CE2 TYR A 88 -4.956 11.341 -8.450 1.00 0.00 C ATOM 1377 CZ TYR A 88 -6.000 11.363 -7.549 1.00 0.00 C ATOM 1378 OH TYR A 88 -7.276 11.070 -7.972 1.00 0.00 O ATOM 0 H TYR A 88 -2.180 14.445 -7.384 1.00 0.00 H new ATOM 0 HA TYR A 88 -2.728 13.680 -4.766 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -1.352 12.296 -7.092 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -1.667 11.473 -5.577 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -4.312 12.215 -4.768 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -2.861 11.615 -8.730 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -6.590 11.692 -5.521 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -5.138 11.096 -9.486 1.00 0.00 H new ATOM 0 HH TYR A 88 -7.265 10.872 -8.932 1.00 0.00 H new ATOM 1388 N LEU A 89 0.495 13.914 -5.442 1.00 0.00 N ATOM 1389 CA LEU A 89 1.818 14.000 -4.834 1.00 0.00 C ATOM 1390 C LEU A 89 1.742 14.635 -3.449 1.00 0.00 C ATOM 1391 O LEU A 89 2.442 14.222 -2.525 1.00 0.00 O ATOM 1392 CB LEU A 89 2.761 14.809 -5.727 1.00 0.00 C ATOM 1393 CG LEU A 89 3.246 14.110 -6.998 1.00 0.00 C ATOM 1394 CD1 LEU A 89 3.833 15.120 -7.971 1.00 0.00 C ATOM 1395 CD2 LEU A 89 4.269 13.036 -6.659 1.00 0.00 C ATOM 0 H LEU A 89 0.485 14.059 -6.452 1.00 0.00 H new ATOM 0 HA LEU A 89 2.207 12.987 -4.728 1.00 0.00 H new ATOM 0 HB2 LEU A 89 2.256 15.731 -6.014 1.00 0.00 H new ATOM 0 HB3 LEU A 89 3.633 15.093 -5.137 1.00 0.00 H new ATOM 0 HG LEU A 89 2.391 13.631 -7.475 1.00 0.00 H new ATOM 0 HD11 LEU A 89 4.173 14.605 -8.869 1.00 0.00 H new ATOM 0 HD12 LEU A 89 3.071 15.852 -8.239 1.00 0.00 H new ATOM 0 HD13 LEU A 89 4.676 15.628 -7.503 1.00 0.00 H new ATOM 0 HD21 LEU A 89 4.603 12.549 -7.575 1.00 0.00 H new ATOM 0 HD22 LEU A 89 5.123 13.492 -6.158 1.00 0.00 H new ATOM 0 HD23 LEU A 89 3.815 12.296 -6.000 1.00 0.00 H new ATOM 1407 N LYS A 90 0.885 15.641 -3.312 1.00 0.00 N ATOM 1408 CA LYS A 90 0.712 16.332 -2.040 1.00 0.00 C ATOM 1409 C LYS A 90 0.094 15.406 -0.997 1.00 0.00 C ATOM 1410 O LYS A 90 -0.790 14.602 -1.293 1.00 0.00 O ATOM 1411 CB LYS A 90 -0.168 17.570 -2.224 1.00 0.00 C ATOM 1412 CG LYS A 90 0.609 18.818 -2.606 1.00 0.00 C ATOM 1413 CD LYS A 90 1.075 18.764 -4.051 1.00 0.00 C ATOM 1414 CE LYS A 90 -0.039 19.152 -5.011 1.00 0.00 C ATOM 1415 NZ LYS A 90 -0.474 20.563 -4.815 1.00 0.00 N ATOM 0 H LYS A 90 0.299 15.996 -4.067 1.00 0.00 H new ATOM 0 HA LYS A 90 1.696 16.642 -1.687 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -0.912 17.365 -2.994 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -0.712 17.760 -1.298 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -0.018 19.697 -2.457 1.00 0.00 H new ATOM 0 HG3 LYS A 90 1.472 18.926 -1.948 1.00 0.00 H new ATOM 0 HD2 LYS A 90 1.923 19.435 -4.186 1.00 0.00 H new ATOM 0 HD3 LYS A 90 1.424 17.758 -4.284 1.00 0.00 H new ATOM 0 HE2 LYS A 90 0.302 19.016 -6.037 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -0.890 18.486 -4.868 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -0.921 20.913 -5.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -1.157 20.610 -4.032 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 0.352 21.153 -4.589 1.00 0.00 H new ATOM 1429 N PRO A 91 0.567 15.521 0.252 1.00 0.00 N ATOM 1430 CA PRO A 91 0.073 14.704 1.364 1.00 0.00 C ATOM 1431 C PRO A 91 -1.352 15.070 1.765 1.00 0.00 C ATOM 1432 O PRO A 91 -1.567 15.974 2.573 1.00 0.00 O ATOM 1433 CB PRO A 91 1.047 15.024 2.500 1.00 0.00 C ATOM 1434 CG PRO A 91 1.573 16.380 2.177 1.00 0.00 C ATOM 1435 CD PRO A 91 1.620 16.459 0.676 1.00 0.00 C ATOM 0 HA PRO A 91 0.032 13.646 1.105 1.00 0.00 H new ATOM 0 HB2 PRO A 91 0.544 15.014 3.467 1.00 0.00 H new ATOM 0 HB3 PRO A 91 1.851 14.289 2.551 1.00 0.00 H new ATOM 0 HG2 PRO A 91 0.929 17.157 2.589 1.00 0.00 H new ATOM 0 HG3 PRO A 91 2.564 16.527 2.607 1.00 0.00 H new ATOM 0 HD2 PRO A 91 1.424 17.471 0.321 1.00 0.00 H new ATOM 0 HD3 PRO A 91 2.597 16.169 0.289 1.00 0.00 H new ATOM 1443 N VAL A 92 -2.323 14.363 1.196 1.00 0.00 N ATOM 1444 CA VAL A 92 -3.728 14.613 1.495 1.00 0.00 C ATOM 1445 C VAL A 92 -3.936 14.863 2.984 1.00 0.00 C ATOM 1446 O VAL A 92 -4.771 15.679 3.377 1.00 0.00 O ATOM 1447 CB VAL A 92 -4.614 13.433 1.055 1.00 0.00 C ATOM 1448 CG1 VAL A 92 -6.077 13.725 1.350 1.00 0.00 C ATOM 1449 CG2 VAL A 92 -4.409 13.135 -0.422 1.00 0.00 C ATOM 0 H VAL A 92 -2.162 13.612 0.525 1.00 0.00 H new ATOM 0 HA VAL A 92 -4.017 15.503 0.936 1.00 0.00 H new ATOM 0 HB VAL A 92 -4.322 12.550 1.624 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -6.688 12.880 1.032 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -6.207 13.885 2.420 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -6.386 14.620 0.809 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -5.043 12.298 -0.716 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -4.672 14.014 -1.010 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -3.365 12.879 -0.600 1.00 0.00 H new ATOM 1459 N LEU A 93 -3.171 14.157 3.810 1.00 0.00 N ATOM 1460 CA LEU A 93 -3.271 14.303 5.258 1.00 0.00 C ATOM 1461 C LEU A 93 -2.026 14.979 5.824 1.00 0.00 C ATOM 1462 O LEU A 93 -1.117 15.348 5.082 1.00 0.00 O ATOM 1463 CB LEU A 93 -3.466 12.936 5.916 1.00 0.00 C ATOM 1464 CG LEU A 93 -4.371 11.955 5.169 1.00 0.00 C ATOM 1465 CD1 LEU A 93 -3.554 11.092 4.220 1.00 0.00 C ATOM 1466 CD2 LEU A 93 -5.142 11.087 6.152 1.00 0.00 C ATOM 0 H LEU A 93 -2.475 13.478 3.502 1.00 0.00 H new ATOM 0 HA LEU A 93 -4.135 14.931 5.476 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -2.487 12.473 6.042 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -3.877 13.090 6.914 1.00 0.00 H new ATOM 0 HG LEU A 93 -5.088 12.527 4.581 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -4.215 10.400 3.697 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -3.047 11.728 3.494 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -2.814 10.528 4.787 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -5.781 10.395 5.603 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -4.441 10.523 6.767 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -5.758 11.720 6.791 1.00 0.00 H new ATOM 1478 N GLU A 94 -1.993 15.136 7.144 1.00 0.00 N ATOM 1479 CA GLU A 94 -0.859 15.767 7.809 1.00 0.00 C ATOM 1480 C GLU A 94 0.072 14.717 8.410 1.00 0.00 C ATOM 1481 O GLU A 94 -0.381 13.706 8.948 1.00 0.00 O ATOM 1482 CB GLU A 94 -1.346 16.719 8.903 1.00 0.00 C ATOM 1483 CG GLU A 94 -0.224 17.298 9.750 1.00 0.00 C ATOM 1484 CD GLU A 94 -0.738 18.086 10.939 1.00 0.00 C ATOM 1485 OE1 GLU A 94 -1.579 17.549 11.689 1.00 0.00 O ATOM 1486 OE2 GLU A 94 -0.299 19.241 11.118 1.00 0.00 O ATOM 0 H GLU A 94 -2.738 14.835 7.773 1.00 0.00 H new ATOM 0 HA GLU A 94 -0.304 16.336 7.063 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -1.900 17.536 8.441 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -2.043 16.188 9.552 1.00 0.00 H new ATOM 0 HG2 GLU A 94 0.414 16.488 10.104 1.00 0.00 H new ATOM 0 HG3 GLU A 94 0.397 17.945 9.131 1.00 0.00 H new ATOM 1493 N ASP A 95 1.373 14.964 8.314 1.00 0.00 N ATOM 1494 CA ASP A 95 2.368 14.042 8.848 1.00 0.00 C ATOM 1495 C ASP A 95 2.043 12.604 8.455 1.00 0.00 C ATOM 1496 O ASP A 95 2.062 11.702 9.293 1.00 0.00 O ATOM 1497 CB ASP A 95 2.442 14.163 10.371 1.00 0.00 C ATOM 1498 CG ASP A 95 3.746 13.633 10.932 1.00 0.00 C ATOM 1499 OD1 ASP A 95 4.745 14.384 10.925 1.00 0.00 O ATOM 1500 OD2 ASP A 95 3.769 12.467 11.378 1.00 0.00 O ATOM 0 H ASP A 95 1.764 15.796 7.871 1.00 0.00 H new ATOM 0 HA ASP A 95 3.336 14.306 8.423 1.00 0.00 H new ATOM 0 HB2 ASP A 95 2.326 15.209 10.655 1.00 0.00 H new ATOM 0 HB3 ASP A 95 1.610 13.618 10.817 1.00 0.00 H new ATOM 1505 N ASP A 96 1.744 12.399 7.178 1.00 0.00 N ATOM 1506 CA ASP A 96 1.414 11.071 6.673 1.00 0.00 C ATOM 1507 C ASP A 96 2.602 10.125 6.816 1.00 0.00 C ATOM 1508 O ASP A 96 3.629 10.298 6.158 1.00 0.00 O ATOM 1509 CB ASP A 96 0.983 11.151 5.208 1.00 0.00 C ATOM 1510 CG ASP A 96 0.029 10.037 4.823 1.00 0.00 C ATOM 1511 OD1 ASP A 96 0.328 8.865 5.137 1.00 0.00 O ATOM 1512 OD2 ASP A 96 -1.016 10.336 4.209 1.00 0.00 O ATOM 0 H ASP A 96 1.723 13.135 6.473 1.00 0.00 H new ATOM 0 HA ASP A 96 0.587 10.679 7.265 1.00 0.00 H new ATOM 0 HB2 ASP A 96 0.506 12.114 5.025 1.00 0.00 H new ATOM 0 HB3 ASP A 96 1.865 11.106 4.570 1.00 0.00 H new ATOM 1517 N LEU A 97 2.456 9.126 7.679 1.00 0.00 N ATOM 1518 CA LEU A 97 3.517 8.152 7.909 1.00 0.00 C ATOM 1519 C LEU A 97 3.769 7.315 6.659 1.00 0.00 C ATOM 1520 O LEU A 97 4.911 7.158 6.224 1.00 0.00 O ATOM 1521 CB LEU A 97 3.154 7.240 9.082 1.00 0.00 C ATOM 1522 CG LEU A 97 2.956 7.930 10.432 1.00 0.00 C ATOM 1523 CD1 LEU A 97 2.377 6.958 11.449 1.00 0.00 C ATOM 1524 CD2 LEU A 97 4.272 8.507 10.934 1.00 0.00 C ATOM 0 H LEU A 97 1.613 8.969 8.231 1.00 0.00 H new ATOM 0 HA LEU A 97 4.430 8.697 8.149 1.00 0.00 H new ATOM 0 HB2 LEU A 97 2.237 6.706 8.831 1.00 0.00 H new ATOM 0 HB3 LEU A 97 3.939 6.491 9.191 1.00 0.00 H new ATOM 0 HG LEU A 97 2.249 8.749 10.299 1.00 0.00 H new ATOM 0 HD11 LEU A 97 2.243 7.467 12.404 1.00 0.00 H new ATOM 0 HD12 LEU A 97 1.413 6.592 11.095 1.00 0.00 H new ATOM 0 HD13 LEU A 97 3.059 6.118 11.578 1.00 0.00 H new ATOM 0 HD21 LEU A 97 4.112 8.994 11.896 1.00 0.00 H new ATOM 0 HD22 LEU A 97 5.000 7.704 11.050 1.00 0.00 H new ATOM 0 HD23 LEU A 97 4.647 9.236 10.216 1.00 0.00 H new ATOM 1536 N LEU A 98 2.697 6.783 6.084 1.00 0.00 N ATOM 1537 CA LEU A 98 2.801 5.963 4.881 1.00 0.00 C ATOM 1538 C LEU A 98 3.749 6.599 3.870 1.00 0.00 C ATOM 1539 O LEU A 98 4.589 5.920 3.278 1.00 0.00 O ATOM 1540 CB LEU A 98 1.420 5.770 4.252 1.00 0.00 C ATOM 1541 CG LEU A 98 0.377 5.070 5.124 1.00 0.00 C ATOM 1542 CD1 LEU A 98 -0.965 5.013 4.409 1.00 0.00 C ATOM 1543 CD2 LEU A 98 0.844 3.671 5.496 1.00 0.00 C ATOM 0 H LEU A 98 1.745 6.904 6.431 1.00 0.00 H new ATOM 0 HA LEU A 98 3.203 4.991 5.166 1.00 0.00 H new ATOM 0 HB2 LEU A 98 1.031 6.749 3.970 1.00 0.00 H new ATOM 0 HB3 LEU A 98 1.539 5.197 3.332 1.00 0.00 H new ATOM 0 HG LEU A 98 0.253 5.646 6.041 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -1.695 4.511 5.045 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -1.306 6.026 4.194 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -0.857 4.461 3.475 1.00 0.00 H new ATOM 0 HD21 LEU A 98 0.089 3.188 6.117 1.00 0.00 H new ATOM 0 HD22 LEU A 98 0.997 3.085 4.589 1.00 0.00 H new ATOM 0 HD23 LEU A 98 1.781 3.735 6.049 1.00 0.00 H new ATOM 1555 N LEU A 99 3.610 7.906 3.677 1.00 0.00 N ATOM 1556 CA LEU A 99 4.456 8.635 2.738 1.00 0.00 C ATOM 1557 C LEU A 99 5.925 8.527 3.132 1.00 0.00 C ATOM 1558 O LEU A 99 6.808 8.526 2.274 1.00 0.00 O ATOM 1559 CB LEU A 99 4.039 10.106 2.682 1.00 0.00 C ATOM 1560 CG LEU A 99 2.949 10.456 1.668 1.00 0.00 C ATOM 1561 CD1 LEU A 99 1.654 9.733 2.005 1.00 0.00 C ATOM 1562 CD2 LEU A 99 2.725 11.961 1.624 1.00 0.00 C ATOM 0 H LEU A 99 2.920 8.483 4.158 1.00 0.00 H new ATOM 0 HA LEU A 99 4.329 8.189 1.751 1.00 0.00 H new ATOM 0 HB2 LEU A 99 3.695 10.403 3.673 1.00 0.00 H new ATOM 0 HB3 LEU A 99 4.922 10.705 2.458 1.00 0.00 H new ATOM 0 HG LEU A 99 3.278 10.128 0.682 1.00 0.00 H new ATOM 0 HD11 LEU A 99 0.890 9.994 1.273 1.00 0.00 H new ATOM 0 HD12 LEU A 99 1.823 8.656 1.985 1.00 0.00 H new ATOM 0 HD13 LEU A 99 1.320 10.029 2.999 1.00 0.00 H new ATOM 0 HD21 LEU A 99 1.946 12.192 0.897 1.00 0.00 H new ATOM 0 HD22 LEU A 99 2.418 12.312 2.609 1.00 0.00 H new ATOM 0 HD23 LEU A 99 3.651 12.458 1.334 1.00 0.00 H new ATOM 1574 N GLN A 100 6.179 8.432 4.433 1.00 0.00 N ATOM 1575 CA GLN A 100 7.542 8.321 4.939 1.00 0.00 C ATOM 1576 C GLN A 100 8.186 7.014 4.486 1.00 0.00 C ATOM 1577 O GLN A 100 9.362 6.983 4.125 1.00 0.00 O ATOM 1578 CB GLN A 100 7.549 8.404 6.466 1.00 0.00 C ATOM 1579 CG GLN A 100 6.722 9.555 7.017 1.00 0.00 C ATOM 1580 CD GLN A 100 7.532 10.825 7.189 1.00 0.00 C ATOM 1581 OE1 GLN A 100 8.442 11.106 6.409 1.00 0.00 O ATOM 1582 NE2 GLN A 100 7.203 11.602 8.215 1.00 0.00 N ATOM 0 H GLN A 100 5.459 8.430 5.156 1.00 0.00 H new ATOM 0 HA GLN A 100 8.122 9.150 4.534 1.00 0.00 H new ATOM 0 HB2 GLN A 100 7.170 7.467 6.874 1.00 0.00 H new ATOM 0 HB3 GLN A 100 8.578 8.509 6.811 1.00 0.00 H new ATOM 0 HG2 GLN A 100 5.885 9.750 6.346 1.00 0.00 H new ATOM 0 HG3 GLN A 100 6.299 9.265 7.979 1.00 0.00 H new ATOM 0 HE21 GLN A 100 6.441 11.330 8.837 1.00 0.00 H new ATOM 0 HE22 GLN A 100 7.712 12.470 8.381 1.00 0.00 H new ATOM 1591 N PHE A 101 7.407 5.938 4.509 1.00 0.00 N ATOM 1592 CA PHE A 101 7.902 4.628 4.102 1.00 0.00 C ATOM 1593 C PHE A 101 8.846 4.749 2.909 1.00 0.00 C ATOM 1594 O PHE A 101 8.504 5.354 1.893 1.00 0.00 O ATOM 1595 CB PHE A 101 6.733 3.705 3.750 1.00 0.00 C ATOM 1596 CG PHE A 101 7.158 2.307 3.400 1.00 0.00 C ATOM 1597 CD1 PHE A 101 7.845 2.051 2.224 1.00 0.00 C ATOM 1598 CD2 PHE A 101 6.871 1.249 4.247 1.00 0.00 C ATOM 1599 CE1 PHE A 101 8.236 0.766 1.899 1.00 0.00 C ATOM 1600 CE2 PHE A 101 7.260 -0.038 3.928 1.00 0.00 C ATOM 1601 CZ PHE A 101 7.944 -0.280 2.753 1.00 0.00 C ATOM 0 H PHE A 101 6.431 5.947 4.805 1.00 0.00 H new ATOM 0 HA PHE A 101 8.455 4.201 4.938 1.00 0.00 H new ATOM 0 HB2 PHE A 101 6.044 3.666 4.594 1.00 0.00 H new ATOM 0 HB3 PHE A 101 6.184 4.131 2.910 1.00 0.00 H new ATOM 0 HD1 PHE A 101 8.078 2.865 1.554 1.00 0.00 H new ATOM 0 HD2 PHE A 101 6.337 1.432 5.168 1.00 0.00 H new ATOM 0 HE1 PHE A 101 8.769 0.580 0.978 1.00 0.00 H new ATOM 0 HE2 PHE A 101 7.029 -0.854 4.597 1.00 0.00 H new ATOM 0 HZ PHE A 101 8.250 -1.285 2.502 1.00 0.00 H new ATOM 1611 N ASP A 102 10.034 4.171 3.042 1.00 0.00 N ATOM 1612 CA ASP A 102 11.029 4.214 1.976 1.00 0.00 C ATOM 1613 C ASP A 102 10.727 3.166 0.910 1.00 0.00 C ATOM 1614 O ASP A 102 11.330 2.092 0.891 1.00 0.00 O ATOM 1615 CB ASP A 102 12.430 3.989 2.548 1.00 0.00 C ATOM 1616 CG ASP A 102 12.851 5.093 3.497 1.00 0.00 C ATOM 1617 OD1 ASP A 102 12.443 5.049 4.676 1.00 0.00 O ATOM 1618 OD2 ASP A 102 13.589 6.002 3.061 1.00 0.00 O ATOM 0 H ASP A 102 10.332 3.667 3.877 1.00 0.00 H new ATOM 0 HA ASP A 102 10.988 5.200 1.513 1.00 0.00 H new ATOM 0 HB2 ASP A 102 12.456 3.034 3.072 1.00 0.00 H new ATOM 0 HB3 ASP A 102 13.147 3.924 1.730 1.00 0.00 H new ATOM 1623 N VAL A 103 9.789 3.484 0.023 1.00 0.00 N ATOM 1624 CA VAL A 103 9.407 2.570 -1.047 1.00 0.00 C ATOM 1625 C VAL A 103 10.634 1.944 -1.699 1.00 0.00 C ATOM 1626 O VAL A 103 10.589 0.806 -2.165 1.00 0.00 O ATOM 1627 CB VAL A 103 8.575 3.287 -2.126 1.00 0.00 C ATOM 1628 CG1 VAL A 103 9.381 4.406 -2.767 1.00 0.00 C ATOM 1629 CG2 VAL A 103 8.097 2.295 -3.176 1.00 0.00 C ATOM 0 H VAL A 103 9.280 4.368 0.024 1.00 0.00 H new ATOM 0 HA VAL A 103 8.801 1.786 -0.593 1.00 0.00 H new ATOM 0 HB VAL A 103 7.700 3.729 -1.650 1.00 0.00 H new ATOM 0 HG11 VAL A 103 8.776 4.901 -3.527 1.00 0.00 H new ATOM 0 HG12 VAL A 103 9.669 5.130 -2.005 1.00 0.00 H new ATOM 0 HG13 VAL A 103 10.276 3.991 -3.230 1.00 0.00 H new ATOM 0 HG21 VAL A 103 7.511 2.819 -3.931 1.00 0.00 H new ATOM 0 HG22 VAL A 103 8.958 1.822 -3.649 1.00 0.00 H new ATOM 0 HG23 VAL A 103 7.480 1.532 -2.702 1.00 0.00 H new ATOM 1639 N GLU A 104 11.731 2.696 -1.728 1.00 0.00 N ATOM 1640 CA GLU A 104 12.971 2.214 -2.325 1.00 0.00 C ATOM 1641 C GLU A 104 13.301 0.807 -1.833 1.00 0.00 C ATOM 1642 O GLU A 104 13.610 -0.083 -2.625 1.00 0.00 O ATOM 1643 CB GLU A 104 14.124 3.164 -1.996 1.00 0.00 C ATOM 1644 CG GLU A 104 13.886 4.592 -2.458 1.00 0.00 C ATOM 1645 CD GLU A 104 14.392 4.841 -3.866 1.00 0.00 C ATOM 1646 OE1 GLU A 104 14.403 3.887 -4.671 1.00 0.00 O ATOM 1647 OE2 GLU A 104 14.777 5.992 -4.162 1.00 0.00 O ATOM 0 H GLU A 104 11.786 3.640 -1.345 1.00 0.00 H new ATOM 0 HA GLU A 104 12.835 2.180 -3.406 1.00 0.00 H new ATOM 0 HB2 GLU A 104 14.289 3.162 -0.919 1.00 0.00 H new ATOM 0 HB3 GLU A 104 15.037 2.788 -2.459 1.00 0.00 H new ATOM 0 HG2 GLU A 104 12.819 4.811 -2.415 1.00 0.00 H new ATOM 0 HG3 GLU A 104 14.380 5.279 -1.771 1.00 0.00 H new ATOM 1654 N ASP A 105 13.233 0.615 -0.520 1.00 0.00 N ATOM 1655 CA ASP A 105 13.523 -0.682 0.079 1.00 0.00 C ATOM 1656 C ASP A 105 12.819 -1.802 -0.681 1.00 0.00 C ATOM 1657 O ASP A 105 13.329 -2.919 -0.775 1.00 0.00 O ATOM 1658 CB ASP A 105 13.094 -0.697 1.547 1.00 0.00 C ATOM 1659 CG ASP A 105 14.101 -0.014 2.452 1.00 0.00 C ATOM 1660 OD1 ASP A 105 15.283 0.080 2.059 1.00 0.00 O ATOM 1661 OD2 ASP A 105 13.708 0.425 3.553 1.00 0.00 O ATOM 0 H ASP A 105 12.979 1.341 0.150 1.00 0.00 H new ATOM 0 HA ASP A 105 14.599 -0.849 0.021 1.00 0.00 H new ATOM 0 HB2 ASP A 105 12.128 -0.202 1.645 1.00 0.00 H new ATOM 0 HB3 ASP A 105 12.959 -1.728 1.872 1.00 0.00 H new ATOM 1666 N LEU A 106 11.644 -1.495 -1.220 1.00 0.00 N ATOM 1667 CA LEU A 106 10.868 -2.476 -1.971 1.00 0.00 C ATOM 1668 C LEU A 106 11.620 -2.924 -3.220 1.00 0.00 C ATOM 1669 O LEU A 106 11.593 -4.100 -3.585 1.00 0.00 O ATOM 1670 CB LEU A 106 9.511 -1.890 -2.363 1.00 0.00 C ATOM 1671 CG LEU A 106 8.697 -1.265 -1.229 1.00 0.00 C ATOM 1672 CD1 LEU A 106 7.355 -0.769 -1.745 1.00 0.00 C ATOM 1673 CD2 LEU A 106 8.499 -2.266 -0.100 1.00 0.00 C ATOM 0 H LEU A 106 11.208 -0.575 -1.151 1.00 0.00 H new ATOM 0 HA LEU A 106 10.711 -3.345 -1.332 1.00 0.00 H new ATOM 0 HB2 LEU A 106 9.673 -1.131 -3.128 1.00 0.00 H new ATOM 0 HB3 LEU A 106 8.914 -2.680 -2.819 1.00 0.00 H new ATOM 0 HG LEU A 106 9.251 -0.411 -0.838 1.00 0.00 H new ATOM 0 HD11 LEU A 106 6.790 -0.328 -0.924 1.00 0.00 H new ATOM 0 HD12 LEU A 106 7.517 -0.018 -2.518 1.00 0.00 H new ATOM 0 HD13 LEU A 106 6.794 -1.605 -2.163 1.00 0.00 H new ATOM 0 HD21 LEU A 106 7.918 -1.804 0.698 1.00 0.00 H new ATOM 0 HD22 LEU A 106 7.967 -3.139 -0.477 1.00 0.00 H new ATOM 0 HD23 LEU A 106 9.470 -2.572 0.289 1.00 0.00 H new