USER MOD reduce.3.24.130724 H: found=0, std=0, add=653, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 655 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: B 111 GLN : amide:sc= 0.0742 K(o=1.8,f=-10!) USER MOD Set 1.2: B 114 LYS NZ :NH3+ -149:sc= 1.68 (180deg=0.274) USER MOD Set 2.1: A 79 TYR OH : rot 29:sc= 1.27 USER MOD Set 2.2: B 118 HIS : no HD1:sc= 0.0334 K(o=1.3,f=-2.8!) USER MOD Set 3.1: A 34 SER OG : rot -109:sc= 0.82 USER MOD Set 3.2: A 36 SER OG : rot 27:sc= 0.0291 USER MOD Set 4.1: A 35 GLN : amide:sc= 0.834 K(o=1.4,f=-14!) USER MOD Set 4.2: A 40 HIS : +bothHN:sc= 0.555 K(o=1.4,f=-14!) USER MOD Set 5.1: A 30 GLN : amide:sc= 1.02 K(o=-0.93,f=-10!) USER MOD Set 5.2: A 38 HIS : no HE2:sc= -1.95 K(o=-0.93,f=-1.5) USER MOD Single : A 15 ASN :FLIP amide:sc= -0.0945 F(o=-1.3!,f=-0.094) USER MOD Single : A 16 TYR OH : rot 80:sc= -0.174 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ -150:sc= 1.19 (180deg=0.707) USER MOD Single : A 23 THR OG1 : rot 123:sc= 1.36 USER MOD Single : A 24 MET CE :methyl -168:sc= -0.0233 (180deg=-0.231) USER MOD Single : A 25 SER OG : rot 143:sc= 0.814 USER MOD Single : A 42 TYR OH : rot -155:sc= 2.19 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 179:sc= 1.25 (180deg=1.23) USER MOD Single : A 49 ASN : amide:sc= -0.142 K(o=-0.14,f=-3.8!) USER MOD Single : A 50 LYS NZ :NH3+ -143:sc= 1.73 (180deg=1.44) USER MOD Single : A 51 ASN : amide:sc= -0.052 K(o=-0.052,f=-1.5) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 161:sc= -0.0775 (180deg=-0.495) USER MOD Single : A 55 ASN :FLIP amide:sc= -1.72! C(o=-3.4!,f=-1.7!) USER MOD Single : A 56 TYR OH : rot 165:sc= -0.35 USER MOD Single : A 59 ASN : amide:sc= 0.875 K(o=0.88,f=-9.8!) USER MOD Single : A 70 THR OG1 : rot -99:sc= -0.735 USER MOD Single : A 71 THR OG1 : rot -38:sc= 0.356 USER MOD Single : A 74 ASN :FLIP amide:sc= 0 F(o=-0.58,f=0) USER MOD Single : A 75 LYS NZ :NH3+ -173:sc= 1.16 (180deg=1.06) USER MOD Single : B 115 ASN : amide:sc= -2.86! C(o=-2.9!,f=-4.3!) USER MOD ----------------------------------------------------------------- ATOM 179 N GLY A 13 -3.191 10.127 3.899 1.00 0.00 N ATOM 180 CA GLY A 13 -3.716 9.706 2.627 1.00 0.00 C ATOM 181 C GLY A 13 -4.659 8.522 2.696 1.00 0.00 C ATOM 182 O GLY A 13 -5.002 7.956 1.668 1.00 0.00 O ATOM 0 HA2 GLY A 13 -4.240 10.545 2.169 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -2.883 9.453 1.970 1.00 0.00 H new ATOM 186 N GLU A 14 -5.086 8.148 3.880 1.00 0.00 N ATOM 187 CA GLU A 14 -6.099 7.094 4.016 1.00 0.00 C ATOM 188 C GLU A 14 -7.432 7.610 3.500 1.00 0.00 C ATOM 189 O GLU A 14 -8.312 6.844 3.088 1.00 0.00 O ATOM 190 CB GLU A 14 -6.274 6.642 5.464 1.00 0.00 C ATOM 191 CG GLU A 14 -5.072 5.970 6.077 1.00 0.00 C ATOM 192 CD GLU A 14 -5.377 5.436 7.446 1.00 0.00 C ATOM 193 OE1 GLU A 14 -5.936 4.306 7.569 1.00 0.00 O ATOM 194 OE2 GLU A 14 -5.096 6.131 8.430 1.00 0.00 O ATOM 0 H GLU A 14 -4.760 8.545 4.761 1.00 0.00 H new ATOM 0 HA GLU A 14 -5.759 6.237 3.435 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -6.533 7.510 6.070 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -7.119 5.955 5.514 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -4.742 5.155 5.433 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -4.248 6.681 6.138 1.00 0.00 H new ATOM 201 N ASN A 15 -7.580 8.924 3.516 1.00 0.00 N ATOM 202 CA ASN A 15 -8.790 9.553 3.044 1.00 0.00 C ATOM 203 C ASN A 15 -8.695 9.819 1.530 1.00 0.00 C ATOM 204 O ASN A 15 -9.575 10.421 0.937 1.00 0.00 O ATOM 205 CB ASN A 15 -9.057 10.848 3.824 1.00 0.00 C ATOM 206 CG ASN A 15 -10.455 11.367 3.669 1.00 0.00 C ATOM 207 OD1 ASN A 15 -11.401 10.491 3.674 1.00 0.00 O flip ATOM 208 ND2 ASN A 15 -10.678 12.578 3.622 1.00 0.00 N flip ATOM 0 H ASN A 15 -6.870 9.574 3.854 1.00 0.00 H new ATOM 0 HA ASN A 15 -9.631 8.881 3.215 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -8.859 10.672 4.881 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -8.356 11.613 3.491 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -9.902 13.240 3.620 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -11.639 12.919 3.585 1.00 0.00 H new ATOM 215 N TYR A 16 -7.615 9.353 0.928 1.00 0.00 N ATOM 216 CA TYR A 16 -7.424 9.439 -0.509 1.00 0.00 C ATOM 217 C TYR A 16 -8.058 8.223 -1.109 1.00 0.00 C ATOM 218 O TYR A 16 -7.804 7.116 -0.642 1.00 0.00 O ATOM 219 CB TYR A 16 -5.906 9.476 -0.859 1.00 0.00 C ATOM 220 CG TYR A 16 -5.576 9.384 -2.341 1.00 0.00 C ATOM 221 CD1 TYR A 16 -5.614 10.509 -3.144 1.00 0.00 C ATOM 222 CD2 TYR A 16 -5.228 8.159 -2.935 1.00 0.00 C ATOM 223 CE1 TYR A 16 -5.328 10.434 -4.486 1.00 0.00 C ATOM 224 CE2 TYR A 16 -4.932 8.075 -4.286 1.00 0.00 C ATOM 225 CZ TYR A 16 -4.992 9.229 -5.056 1.00 0.00 C ATOM 226 OH TYR A 16 -4.739 9.176 -6.401 1.00 0.00 O ATOM 0 H TYR A 16 -6.844 8.904 1.423 1.00 0.00 H new ATOM 0 HA TYR A 16 -7.875 10.351 -0.901 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -5.482 10.400 -0.466 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -5.411 8.654 -0.342 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -5.873 11.463 -2.709 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -5.191 7.267 -2.328 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -5.367 11.325 -5.095 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -4.660 7.130 -4.732 1.00 0.00 H new ATOM 0 HH TYR A 16 -3.828 9.492 -6.575 1.00 0.00 H new ATOM 236 N ASP A 17 -8.873 8.399 -2.108 1.00 0.00 N ATOM 237 CA ASP A 17 -9.513 7.253 -2.747 1.00 0.00 C ATOM 238 C ASP A 17 -9.369 7.348 -4.252 1.00 0.00 C ATOM 239 O ASP A 17 -10.086 6.698 -5.010 1.00 0.00 O ATOM 240 CB ASP A 17 -10.999 7.088 -2.320 1.00 0.00 C ATOM 241 CG ASP A 17 -11.973 8.069 -2.944 1.00 0.00 C ATOM 242 OD1 ASP A 17 -12.066 9.223 -2.498 1.00 0.00 O ATOM 243 OD2 ASP A 17 -12.712 7.674 -3.875 1.00 0.00 O ATOM 0 H ASP A 17 -9.117 9.307 -2.504 1.00 0.00 H new ATOM 0 HA ASP A 17 -9.001 6.353 -2.406 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -11.320 6.077 -2.569 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -11.060 7.183 -1.236 1.00 0.00 H new ATOM 248 N GLY A 18 -8.386 8.111 -4.670 1.00 0.00 N ATOM 249 CA GLY A 18 -8.107 8.287 -6.080 1.00 0.00 C ATOM 250 C GLY A 18 -7.585 7.024 -6.741 1.00 0.00 C ATOM 251 O GLY A 18 -7.101 6.095 -6.071 1.00 0.00 O ATOM 0 H GLY A 18 -7.760 8.625 -4.049 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -9.017 8.608 -6.588 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -7.375 9.085 -6.204 1.00 0.00 H new ATOM 255 N LYS A 19 -7.640 7.017 -8.045 1.00 0.00 N ATOM 256 CA LYS A 19 -7.344 5.856 -8.841 1.00 0.00 C ATOM 257 C LYS A 19 -5.923 5.874 -9.414 1.00 0.00 C ATOM 258 O LYS A 19 -5.678 5.236 -10.443 1.00 0.00 O ATOM 259 CB LYS A 19 -8.359 5.789 -9.982 1.00 0.00 C ATOM 260 CG LYS A 19 -9.805 5.775 -9.507 1.00 0.00 C ATOM 261 CD LYS A 19 -10.809 5.751 -10.664 1.00 0.00 C ATOM 262 CE LYS A 19 -10.683 4.515 -11.541 1.00 0.00 C ATOM 263 NZ LYS A 19 -11.652 4.527 -12.656 1.00 0.00 N ATOM 0 H LYS A 19 -7.897 7.836 -8.596 1.00 0.00 H new ATOM 0 HA LYS A 19 -7.409 4.978 -8.199 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -8.210 6.644 -10.641 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -8.170 4.893 -10.574 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -9.966 4.903 -8.874 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -9.989 6.655 -8.890 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -11.820 5.800 -10.260 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -10.667 6.640 -11.278 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -9.671 4.456 -11.941 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -10.839 3.623 -10.935 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -11.533 3.667 -13.229 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -12.619 4.558 -12.275 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -11.487 5.365 -13.250 1.00 0.00 H new ATOM 277 N ILE A 20 -4.986 6.571 -8.764 1.00 0.00 N ATOM 278 CA ILE A 20 -3.597 6.576 -9.232 1.00 0.00 C ATOM 279 C ILE A 20 -3.051 5.143 -9.132 1.00 0.00 C ATOM 280 O ILE A 20 -3.370 4.416 -8.185 1.00 0.00 O ATOM 281 CB ILE A 20 -2.695 7.561 -8.430 1.00 0.00 C ATOM 282 CG1 ILE A 20 -1.313 7.678 -9.084 1.00 0.00 C ATOM 283 CG2 ILE A 20 -2.555 7.101 -6.993 1.00 0.00 C ATOM 284 CD1 ILE A 20 -0.376 8.646 -8.390 1.00 0.00 C ATOM 0 H ILE A 20 -5.159 7.129 -7.928 1.00 0.00 H new ATOM 0 HA ILE A 20 -3.582 6.925 -10.265 1.00 0.00 H new ATOM 0 HB ILE A 20 -3.169 8.543 -8.438 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -0.849 6.692 -9.104 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -1.439 7.992 -10.120 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -1.922 7.800 -6.447 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -3.539 7.062 -6.526 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -2.103 6.109 -6.971 1.00 0.00 H new ATOM 0 HD11 ILE A 20 0.578 8.669 -8.916 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -0.816 9.643 -8.393 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -0.216 8.323 -7.361 1.00 0.00 H new ATOM 296 N SER A 21 -2.278 4.735 -10.092 1.00 0.00 N ATOM 297 CA SER A 21 -1.887 3.363 -10.156 1.00 0.00 C ATOM 298 C SER A 21 -0.371 3.166 -10.292 1.00 0.00 C ATOM 299 O SER A 21 0.106 2.039 -10.527 1.00 0.00 O ATOM 300 CB SER A 21 -2.618 2.769 -11.330 1.00 0.00 C ATOM 301 OG SER A 21 -2.380 3.533 -12.523 1.00 0.00 O ATOM 0 H SER A 21 -1.909 5.328 -10.835 1.00 0.00 H new ATOM 0 HA SER A 21 -2.146 2.866 -9.221 1.00 0.00 H new ATOM 0 HB2 SER A 21 -2.294 1.740 -11.482 1.00 0.00 H new ATOM 0 HB3 SER A 21 -3.687 2.739 -11.120 1.00 0.00 H new ATOM 0 HG SER A 21 -2.863 3.128 -13.273 1.00 0.00 H new ATOM 307 N LYS A 22 0.377 4.230 -10.115 1.00 0.00 N ATOM 308 CA LYS A 22 1.817 4.174 -10.267 1.00 0.00 C ATOM 309 C LYS A 22 2.488 4.739 -9.039 1.00 0.00 C ATOM 310 O LYS A 22 1.978 5.672 -8.436 1.00 0.00 O ATOM 311 CB LYS A 22 2.276 4.881 -11.547 1.00 0.00 C ATOM 312 CG LYS A 22 1.742 4.230 -12.813 1.00 0.00 C ATOM 313 CD LYS A 22 2.304 4.868 -14.065 1.00 0.00 C ATOM 314 CE LYS A 22 1.755 4.194 -15.316 1.00 0.00 C ATOM 315 NZ LYS A 22 2.058 2.741 -15.350 1.00 0.00 N ATOM 0 H LYS A 22 0.013 5.149 -9.865 1.00 0.00 H new ATOM 0 HA LYS A 22 2.115 3.130 -10.367 1.00 0.00 H new ATOM 0 HB2 LYS A 22 1.952 5.921 -11.516 1.00 0.00 H new ATOM 0 HB3 LYS A 22 3.365 4.887 -11.581 1.00 0.00 H new ATOM 0 HG2 LYS A 22 1.989 3.168 -12.806 1.00 0.00 H new ATOM 0 HG3 LYS A 22 0.655 4.304 -12.826 1.00 0.00 H new ATOM 0 HD2 LYS A 22 2.054 5.929 -14.080 1.00 0.00 H new ATOM 0 HD3 LYS A 22 3.392 4.797 -14.057 1.00 0.00 H new ATOM 0 HE2 LYS A 22 0.676 4.339 -15.361 1.00 0.00 H new ATOM 0 HE3 LYS A 22 2.178 4.672 -16.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 2.148 2.428 -16.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 2.950 2.561 -14.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 1.288 2.215 -14.889 1.00 0.00 H new ATOM 329 N THR A 23 3.643 4.204 -8.700 1.00 0.00 N ATOM 330 CA THR A 23 4.292 4.505 -7.432 1.00 0.00 C ATOM 331 C THR A 23 5.078 5.825 -7.453 1.00 0.00 C ATOM 332 O THR A 23 4.943 6.641 -8.372 1.00 0.00 O ATOM 333 CB THR A 23 5.246 3.362 -7.078 1.00 0.00 C ATOM 334 OG1 THR A 23 6.215 3.211 -8.136 1.00 0.00 O ATOM 335 CG2 THR A 23 4.478 2.057 -6.894 1.00 0.00 C ATOM 0 H THR A 23 4.159 3.551 -9.289 1.00 0.00 H new ATOM 0 HA THR A 23 3.505 4.613 -6.686 1.00 0.00 H new ATOM 0 HB THR A 23 5.751 3.599 -6.141 1.00 0.00 H new ATOM 0 HG1 THR A 23 7.119 3.297 -7.767 1.00 0.00 H new ATOM 0 HG21 THR A 23 5.175 1.257 -6.643 1.00 0.00 H new ATOM 0 HG22 THR A 23 3.752 2.172 -6.089 1.00 0.00 H new ATOM 0 HG23 THR A 23 3.957 1.808 -7.819 1.00 0.00 H new ATOM 343 N MET A 24 5.892 6.025 -6.415 1.00 0.00 N ATOM 344 CA MET A 24 6.784 7.166 -6.293 1.00 0.00 C ATOM 345 C MET A 24 7.818 7.175 -7.420 1.00 0.00 C ATOM 346 O MET A 24 8.310 8.225 -7.806 1.00 0.00 O ATOM 347 CB MET A 24 7.484 7.152 -4.920 1.00 0.00 C ATOM 348 CG MET A 24 8.325 5.918 -4.652 1.00 0.00 C ATOM 349 SD MET A 24 9.023 5.852 -2.989 1.00 0.00 S ATOM 350 CE MET A 24 10.109 7.281 -3.005 1.00 0.00 C ATOM 0 H MET A 24 5.946 5.383 -5.624 1.00 0.00 H new ATOM 0 HA MET A 24 6.188 8.075 -6.374 1.00 0.00 H new ATOM 0 HB2 MET A 24 8.121 8.033 -4.843 1.00 0.00 H new ATOM 0 HB3 MET A 24 6.727 7.236 -4.140 1.00 0.00 H new ATOM 0 HG2 MET A 24 7.712 5.031 -4.813 1.00 0.00 H new ATOM 0 HG3 MET A 24 9.137 5.880 -5.378 1.00 0.00 H new ATOM 0 HE1 MET A 24 10.763 7.250 -2.134 1.00 0.00 H new ATOM 0 HE2 MET A 24 10.712 7.269 -3.913 1.00 0.00 H new ATOM 0 HE3 MET A 24 9.512 8.192 -2.978 1.00 0.00 H new ATOM 360 N SER A 25 8.172 6.000 -7.918 1.00 0.00 N ATOM 361 CA SER A 25 9.072 5.898 -9.026 1.00 0.00 C ATOM 362 C SER A 25 8.289 5.909 -10.340 1.00 0.00 C ATOM 363 O SER A 25 8.843 6.136 -11.414 1.00 0.00 O ATOM 364 CB SER A 25 9.876 4.636 -8.894 1.00 0.00 C ATOM 365 OG SER A 25 10.533 4.579 -7.626 1.00 0.00 O ATOM 0 H SER A 25 7.839 5.105 -7.560 1.00 0.00 H new ATOM 0 HA SER A 25 9.750 6.751 -9.029 1.00 0.00 H new ATOM 0 HB2 SER A 25 9.223 3.771 -9.009 1.00 0.00 H new ATOM 0 HB3 SER A 25 10.615 4.586 -9.693 1.00 0.00 H new ATOM 0 HG SER A 25 10.535 3.655 -7.300 1.00 0.00 H new ATOM 371 N GLY A 26 6.990 5.704 -10.225 1.00 0.00 N ATOM 372 CA GLY A 26 6.133 5.654 -11.375 1.00 0.00 C ATOM 373 C GLY A 26 6.032 4.264 -11.922 1.00 0.00 C ATOM 374 O GLY A 26 5.721 4.061 -13.102 1.00 0.00 O ATOM 0 H GLY A 26 6.510 5.569 -9.335 1.00 0.00 H new ATOM 0 HA2 GLY A 26 5.140 6.014 -11.106 1.00 0.00 H new ATOM 0 HA3 GLY A 26 6.516 6.323 -12.146 1.00 0.00 H new ATOM 378 N LEU A 27 6.298 3.302 -11.073 1.00 0.00 N ATOM 379 CA LEU A 27 6.207 1.925 -11.441 1.00 0.00 C ATOM 380 C LEU A 27 4.778 1.510 -11.406 1.00 0.00 C ATOM 381 O LEU A 27 3.967 2.130 -10.724 1.00 0.00 O ATOM 382 CB LEU A 27 6.995 1.062 -10.486 1.00 0.00 C ATOM 383 CG LEU A 27 8.520 1.180 -10.548 1.00 0.00 C ATOM 384 CD1 LEU A 27 9.156 0.429 -9.400 1.00 0.00 C ATOM 385 CD2 LEU A 27 9.028 0.613 -11.856 1.00 0.00 C ATOM 0 H LEU A 27 6.584 3.460 -10.107 1.00 0.00 H new ATOM 0 HA LEU A 27 6.617 1.801 -12.443 1.00 0.00 H new ATOM 0 HB2 LEU A 27 6.677 1.300 -9.471 1.00 0.00 H new ATOM 0 HB3 LEU A 27 6.727 0.021 -10.668 1.00 0.00 H new ATOM 0 HG LEU A 27 8.787 2.234 -10.476 1.00 0.00 H new ATOM 0 HD11 LEU A 27 10.240 0.523 -9.460 1.00 0.00 H new ATOM 0 HD12 LEU A 27 8.807 0.845 -8.455 1.00 0.00 H new ATOM 0 HD13 LEU A 27 8.880 -0.624 -9.457 1.00 0.00 H new ATOM 0 HD21 LEU A 27 10.114 0.700 -11.893 1.00 0.00 H new ATOM 0 HD22 LEU A 27 8.746 -0.437 -11.931 1.00 0.00 H new ATOM 0 HD23 LEU A 27 8.591 1.167 -12.687 1.00 0.00 H new ATOM 397 N GLU A 28 4.481 0.472 -12.099 1.00 0.00 N ATOM 398 CA GLU A 28 3.136 -0.005 -12.183 1.00 0.00 C ATOM 399 C GLU A 28 2.834 -0.803 -10.936 1.00 0.00 C ATOM 400 O GLU A 28 3.624 -1.693 -10.537 1.00 0.00 O ATOM 401 CB GLU A 28 2.932 -0.865 -13.441 1.00 0.00 C ATOM 402 CG GLU A 28 1.477 -1.250 -13.710 1.00 0.00 C ATOM 403 CD GLU A 28 0.613 -0.077 -14.148 1.00 0.00 C ATOM 404 OE1 GLU A 28 0.842 1.065 -13.712 1.00 0.00 O ATOM 405 OE2 GLU A 28 -0.295 -0.270 -14.979 1.00 0.00 O ATOM 0 H GLU A 28 5.159 -0.077 -12.627 1.00 0.00 H new ATOM 0 HA GLU A 28 2.453 0.841 -12.257 1.00 0.00 H new ATOM 0 HB2 GLU A 28 3.318 -0.323 -14.304 1.00 0.00 H new ATOM 0 HB3 GLU A 28 3.525 -1.775 -13.345 1.00 0.00 H new ATOM 0 HG2 GLU A 28 1.449 -2.020 -14.481 1.00 0.00 H new ATOM 0 HG3 GLU A 28 1.052 -1.688 -12.807 1.00 0.00 H new ATOM 412 N CYS A 29 1.761 -0.471 -10.298 1.00 0.00 N ATOM 413 CA CYS A 29 1.380 -1.157 -9.107 1.00 0.00 C ATOM 414 C CYS A 29 0.783 -2.524 -9.396 1.00 0.00 C ATOM 415 O CYS A 29 0.200 -2.764 -10.454 1.00 0.00 O ATOM 416 CB CYS A 29 0.449 -0.304 -8.241 1.00 0.00 C ATOM 417 SG CYS A 29 -0.274 -1.164 -6.803 1.00 0.00 S ATOM 0 H CYS A 29 1.128 0.276 -10.583 1.00 0.00 H new ATOM 0 HA CYS A 29 2.292 -1.329 -8.536 1.00 0.00 H new ATOM 0 HB2 CYS A 29 1.004 0.564 -7.885 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -0.362 0.070 -8.866 1.00 0.00 H new ATOM 422 N GLN A 30 0.975 -3.403 -8.463 1.00 0.00 N ATOM 423 CA GLN A 30 0.433 -4.733 -8.489 1.00 0.00 C ATOM 424 C GLN A 30 -0.922 -4.676 -7.825 1.00 0.00 C ATOM 425 O GLN A 30 -1.040 -4.181 -6.707 1.00 0.00 O ATOM 426 CB GLN A 30 1.345 -5.713 -7.725 1.00 0.00 C ATOM 427 CG GLN A 30 0.753 -7.113 -7.553 1.00 0.00 C ATOM 428 CD GLN A 30 1.613 -8.031 -6.700 1.00 0.00 C ATOM 429 OE1 GLN A 30 2.844 -7.932 -6.682 1.00 0.00 O ATOM 430 NE2 GLN A 30 0.972 -8.919 -5.975 1.00 0.00 N ATOM 0 H GLN A 30 1.533 -3.211 -7.631 1.00 0.00 H new ATOM 0 HA GLN A 30 0.356 -5.087 -9.517 1.00 0.00 H new ATOM 0 HB2 GLN A 30 2.295 -5.794 -8.253 1.00 0.00 H new ATOM 0 HB3 GLN A 30 1.562 -5.298 -6.740 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -0.235 -7.029 -7.100 1.00 0.00 H new ATOM 0 HG3 GLN A 30 0.616 -7.565 -8.535 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -0.046 -8.972 -6.015 1.00 0.00 H new ATOM 0 HE22 GLN A 30 1.492 -9.556 -5.371 1.00 0.00 H new ATOM 439 N ALA A 31 -1.925 -5.155 -8.517 1.00 0.00 N ATOM 440 CA ALA A 31 -3.276 -5.150 -8.019 1.00 0.00 C ATOM 441 C ALA A 31 -3.391 -5.885 -6.699 1.00 0.00 C ATOM 442 O ALA A 31 -2.852 -6.980 -6.532 1.00 0.00 O ATOM 443 CB ALA A 31 -4.216 -5.770 -9.046 1.00 0.00 C ATOM 0 H ALA A 31 -1.826 -5.562 -9.447 1.00 0.00 H new ATOM 0 HA ALA A 31 -3.561 -4.112 -7.847 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -5.235 -5.761 -8.659 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -4.174 -5.195 -9.971 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -3.912 -6.798 -9.244 1.00 0.00 H new ATOM 449 N TRP A 32 -4.133 -5.281 -5.782 1.00 0.00 N ATOM 450 CA TRP A 32 -4.371 -5.799 -4.445 1.00 0.00 C ATOM 451 C TRP A 32 -5.085 -7.141 -4.512 1.00 0.00 C ATOM 452 O TRP A 32 -5.054 -7.927 -3.572 1.00 0.00 O ATOM 453 CB TRP A 32 -5.244 -4.826 -3.648 1.00 0.00 C ATOM 454 CG TRP A 32 -4.709 -3.433 -3.533 1.00 0.00 C ATOM 455 CD1 TRP A 32 -5.124 -2.343 -4.233 1.00 0.00 C ATOM 456 CD2 TRP A 32 -3.669 -2.975 -2.662 1.00 0.00 C ATOM 457 NE1 TRP A 32 -4.419 -1.244 -3.851 1.00 0.00 N ATOM 458 CE2 TRP A 32 -3.513 -1.600 -2.895 1.00 0.00 C ATOM 459 CE3 TRP A 32 -2.857 -3.589 -1.711 1.00 0.00 C ATOM 460 CZ2 TRP A 32 -2.577 -0.827 -2.213 1.00 0.00 C ATOM 461 CZ3 TRP A 32 -1.931 -2.820 -1.037 1.00 0.00 C ATOM 462 CH2 TRP A 32 -1.798 -1.452 -1.291 1.00 0.00 C ATOM 0 H TRP A 32 -4.599 -4.390 -5.954 1.00 0.00 H new ATOM 0 HA TRP A 32 -3.405 -5.920 -3.956 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -6.228 -4.782 -4.114 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -5.384 -5.228 -2.644 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -5.901 -2.349 -4.983 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -4.547 -0.302 -4.221 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -2.951 -4.645 -1.506 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -2.474 0.230 -2.409 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -1.296 -3.285 -0.298 1.00 0.00 H new ATOM 0 HH2 TRP A 32 -1.062 -0.881 -0.744 1.00 0.00 H new ATOM 473 N ASP A 33 -5.710 -7.387 -5.624 1.00 0.00 N ATOM 474 CA ASP A 33 -6.448 -8.605 -5.857 1.00 0.00 C ATOM 475 C ASP A 33 -5.496 -9.733 -6.246 1.00 0.00 C ATOM 476 O ASP A 33 -5.751 -10.904 -5.970 1.00 0.00 O ATOM 477 CB ASP A 33 -7.464 -8.360 -6.974 1.00 0.00 C ATOM 478 CG ASP A 33 -8.269 -9.582 -7.344 1.00 0.00 C ATOM 479 OD1 ASP A 33 -9.309 -9.844 -6.702 1.00 0.00 O ATOM 480 OD2 ASP A 33 -7.905 -10.276 -8.335 1.00 0.00 O ATOM 0 H ASP A 33 -5.725 -6.740 -6.412 1.00 0.00 H new ATOM 0 HA ASP A 33 -6.969 -8.898 -4.946 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -8.145 -7.567 -6.665 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -6.938 -8.001 -7.859 1.00 0.00 H new ATOM 485 N SER A 34 -4.370 -9.366 -6.809 1.00 0.00 N ATOM 486 CA SER A 34 -3.437 -10.322 -7.336 1.00 0.00 C ATOM 487 C SER A 34 -2.376 -10.685 -6.300 1.00 0.00 C ATOM 488 O SER A 34 -1.735 -9.815 -5.704 1.00 0.00 O ATOM 489 CB SER A 34 -2.781 -9.760 -8.595 1.00 0.00 C ATOM 490 OG SER A 34 -1.938 -10.723 -9.219 1.00 0.00 O ATOM 0 H SER A 34 -4.078 -8.394 -6.913 1.00 0.00 H new ATOM 0 HA SER A 34 -3.980 -11.233 -7.589 1.00 0.00 H new ATOM 0 HB2 SER A 34 -3.552 -9.441 -9.297 1.00 0.00 H new ATOM 0 HB3 SER A 34 -2.197 -8.876 -8.339 1.00 0.00 H new ATOM 0 HG SER A 34 -1.001 -10.463 -9.100 1.00 0.00 H new ATOM 496 N GLN A 35 -2.178 -11.967 -6.122 1.00 0.00 N ATOM 497 CA GLN A 35 -1.211 -12.513 -5.177 1.00 0.00 C ATOM 498 C GLN A 35 0.115 -12.793 -5.920 1.00 0.00 C ATOM 499 O GLN A 35 1.034 -13.430 -5.406 1.00 0.00 O ATOM 500 CB GLN A 35 -1.809 -13.812 -4.577 1.00 0.00 C ATOM 501 CG GLN A 35 -1.005 -14.503 -3.466 1.00 0.00 C ATOM 502 CD GLN A 35 -0.842 -13.672 -2.202 1.00 0.00 C ATOM 503 OE1 GLN A 35 -0.780 -12.445 -2.236 1.00 0.00 O ATOM 504 NE2 GLN A 35 -0.773 -14.328 -1.079 1.00 0.00 N ATOM 0 H GLN A 35 -2.691 -12.683 -6.636 1.00 0.00 H new ATOM 0 HA GLN A 35 -1.003 -11.811 -4.369 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -2.799 -13.579 -4.184 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -1.949 -14.527 -5.388 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -1.495 -15.442 -3.209 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -0.017 -14.755 -3.851 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -0.827 -15.347 -1.079 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -0.665 -13.823 -0.199 1.00 0.00 H new ATOM 513 N SER A 36 0.217 -12.261 -7.113 1.00 0.00 N ATOM 514 CA SER A 36 1.347 -12.501 -7.950 1.00 0.00 C ATOM 515 C SER A 36 1.749 -11.223 -8.686 1.00 0.00 C ATOM 516 O SER A 36 0.901 -10.550 -9.278 1.00 0.00 O ATOM 517 CB SER A 36 1.011 -13.637 -8.917 1.00 0.00 C ATOM 518 OG SER A 36 -0.267 -13.426 -9.538 1.00 0.00 O ATOM 0 H SER A 36 -0.488 -11.649 -7.524 1.00 0.00 H new ATOM 0 HA SER A 36 2.204 -12.800 -7.347 1.00 0.00 H new ATOM 0 HB2 SER A 36 1.784 -13.708 -9.683 1.00 0.00 H new ATOM 0 HB3 SER A 36 1.006 -14.586 -8.381 1.00 0.00 H new ATOM 0 HG SER A 36 -0.463 -12.466 -9.564 1.00 0.00 H new ATOM 524 N PRO A 37 3.034 -10.849 -8.627 1.00 0.00 N ATOM 525 CA PRO A 37 4.131 -11.803 -8.300 1.00 0.00 C ATOM 526 C PRO A 37 4.449 -11.810 -6.801 1.00 0.00 C ATOM 527 O PRO A 37 4.994 -12.772 -6.261 1.00 0.00 O ATOM 528 CB PRO A 37 5.314 -11.192 -9.050 1.00 0.00 C ATOM 529 CG PRO A 37 5.023 -9.745 -8.981 1.00 0.00 C ATOM 530 CD PRO A 37 3.577 -9.651 -9.296 1.00 0.00 C ATOM 0 HA PRO A 37 3.887 -12.831 -8.566 1.00 0.00 H new ATOM 0 HB2 PRO A 37 6.265 -11.438 -8.577 1.00 0.00 H new ATOM 0 HB3 PRO A 37 5.369 -11.546 -10.079 1.00 0.00 H new ATOM 0 HG2 PRO A 37 5.243 -9.341 -7.993 1.00 0.00 H new ATOM 0 HG3 PRO A 37 5.624 -9.183 -9.696 1.00 0.00 H new ATOM 0 HD2 PRO A 37 3.135 -8.733 -8.909 1.00 0.00 H new ATOM 0 HD3 PRO A 37 3.392 -9.666 -10.370 1.00 0.00 H new ATOM 538 N HIS A 38 4.126 -10.725 -6.154 1.00 0.00 N ATOM 539 CA HIS A 38 4.424 -10.555 -4.762 1.00 0.00 C ATOM 540 C HIS A 38 3.284 -11.009 -3.878 1.00 0.00 C ATOM 541 O HIS A 38 2.128 -10.606 -4.075 1.00 0.00 O ATOM 542 CB HIS A 38 4.792 -9.106 -4.482 1.00 0.00 C ATOM 543 CG HIS A 38 6.012 -8.672 -5.222 1.00 0.00 C ATOM 544 ND1 HIS A 38 5.986 -7.769 -6.256 1.00 0.00 N ATOM 545 CD2 HIS A 38 7.299 -9.062 -5.105 1.00 0.00 C ATOM 546 CE1 HIS A 38 7.198 -7.639 -6.743 1.00 0.00 C ATOM 547 NE2 HIS A 38 8.012 -8.407 -6.060 1.00 0.00 N ATOM 0 H HIS A 38 3.647 -9.932 -6.580 1.00 0.00 H new ATOM 0 HA HIS A 38 5.278 -11.188 -4.522 1.00 0.00 H new ATOM 0 HB2 HIS A 38 3.956 -8.463 -4.757 1.00 0.00 H new ATOM 0 HB3 HIS A 38 4.955 -8.976 -3.412 1.00 0.00 H new ATOM 0 HD1 HIS A 38 5.158 -7.278 -6.592 1.00 0.00 H new ATOM 0 HD2 HIS A 38 7.691 -9.765 -4.385 1.00 0.00 H new ATOM 0 HE1 HIS A 38 7.479 -7.004 -7.570 1.00 0.00 H new ATOM 556 N ALA A 39 3.614 -11.845 -2.917 1.00 0.00 N ATOM 557 CA ALA A 39 2.660 -12.370 -1.973 1.00 0.00 C ATOM 558 C ALA A 39 2.362 -11.321 -0.923 1.00 0.00 C ATOM 559 O ALA A 39 3.280 -10.728 -0.337 1.00 0.00 O ATOM 560 CB ALA A 39 3.206 -13.631 -1.321 1.00 0.00 C ATOM 0 H ALA A 39 4.566 -12.181 -2.770 1.00 0.00 H new ATOM 0 HA ALA A 39 1.738 -12.625 -2.496 1.00 0.00 H new ATOM 0 HB1 ALA A 39 2.476 -14.018 -0.610 1.00 0.00 H new ATOM 0 HB2 ALA A 39 3.400 -14.382 -2.087 1.00 0.00 H new ATOM 0 HB3 ALA A 39 4.134 -13.398 -0.798 1.00 0.00 H new ATOM 566 N HIS A 40 1.098 -11.069 -0.696 1.00 0.00 N ATOM 567 CA HIS A 40 0.688 -10.058 0.223 1.00 0.00 C ATOM 568 C HIS A 40 -0.577 -10.502 0.957 1.00 0.00 C ATOM 569 O HIS A 40 -1.346 -11.292 0.423 1.00 0.00 O ATOM 570 CB HIS A 40 0.438 -8.758 -0.563 1.00 0.00 C ATOM 571 CG HIS A 40 -0.773 -8.751 -1.489 1.00 0.00 C ATOM 572 ND1 HIS A 40 -1.283 -9.854 -2.134 1.00 0.00 N ATOM 573 CD2 HIS A 40 -1.599 -7.764 -1.786 1.00 0.00 C ATOM 574 CE1 HIS A 40 -2.366 -9.525 -2.767 1.00 0.00 C ATOM 575 NE2 HIS A 40 -2.581 -8.262 -2.574 1.00 0.00 N ATOM 0 H HIS A 40 0.329 -11.564 -1.148 1.00 0.00 H new ATOM 0 HA HIS A 40 1.465 -9.887 0.969 1.00 0.00 H new ATOM 0 HB2 HIS A 40 0.327 -7.942 0.151 1.00 0.00 H new ATOM 0 HB3 HIS A 40 1.325 -8.542 -1.158 1.00 0.00 H new ATOM 0 HD1 HIS A 40 -0.872 -10.787 -2.117 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -1.507 -6.739 -1.458 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -2.983 -10.190 -3.354 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -3.363 -7.729 -2.954 1.00 0.00 H new ATOM 584 N GLY A 41 -0.785 -10.004 2.154 1.00 0.00 N ATOM 585 CA GLY A 41 -1.991 -10.317 2.886 1.00 0.00 C ATOM 586 C GLY A 41 -3.032 -9.239 2.742 1.00 0.00 C ATOM 587 O GLY A 41 -4.048 -9.241 3.421 1.00 0.00 O ATOM 0 H GLY A 41 -0.138 -9.383 2.640 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -2.397 -11.263 2.529 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -1.751 -10.451 3.941 1.00 0.00 H new ATOM 591 N TYR A 42 -2.792 -8.330 1.833 1.00 0.00 N ATOM 592 CA TYR A 42 -3.689 -7.224 1.601 1.00 0.00 C ATOM 593 C TYR A 42 -4.692 -7.635 0.562 1.00 0.00 C ATOM 594 O TYR A 42 -4.588 -7.268 -0.606 1.00 0.00 O ATOM 595 CB TYR A 42 -2.944 -5.966 1.137 1.00 0.00 C ATOM 596 CG TYR A 42 -1.933 -5.404 2.109 1.00 0.00 C ATOM 597 CD1 TYR A 42 -0.739 -6.065 2.362 1.00 0.00 C ATOM 598 CD2 TYR A 42 -2.163 -4.199 2.758 1.00 0.00 C ATOM 599 CE1 TYR A 42 0.191 -5.547 3.224 1.00 0.00 C ATOM 600 CE2 TYR A 42 -1.227 -3.669 3.620 1.00 0.00 C ATOM 601 CZ TYR A 42 -0.054 -4.349 3.844 1.00 0.00 C ATOM 602 OH TYR A 42 0.879 -3.834 4.688 1.00 0.00 O ATOM 0 H TYR A 42 -1.969 -8.334 1.231 1.00 0.00 H new ATOM 0 HA TYR A 42 -4.184 -6.976 2.540 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -2.433 -6.194 0.202 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -3.679 -5.191 0.918 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -0.539 -7.005 1.870 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -3.088 -3.669 2.585 1.00 0.00 H new ATOM 0 HE1 TYR A 42 1.111 -6.079 3.414 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -1.414 -2.728 4.115 1.00 0.00 H new ATOM 0 HH TYR A 42 0.444 -3.237 5.332 1.00 0.00 H new ATOM 612 N ILE A 43 -5.559 -8.502 0.958 1.00 0.00 N ATOM 613 CA ILE A 43 -6.595 -8.984 0.091 1.00 0.00 C ATOM 614 C ILE A 43 -7.811 -8.053 0.238 1.00 0.00 C ATOM 615 O ILE A 43 -8.251 -7.794 1.353 1.00 0.00 O ATOM 616 CB ILE A 43 -6.991 -10.435 0.485 1.00 0.00 C ATOM 617 CG1 ILE A 43 -5.730 -11.303 0.720 1.00 0.00 C ATOM 618 CG2 ILE A 43 -7.879 -11.065 -0.583 1.00 0.00 C ATOM 619 CD1 ILE A 43 -4.822 -11.479 -0.486 1.00 0.00 C ATOM 0 H ILE A 43 -5.575 -8.903 1.896 1.00 0.00 H new ATOM 0 HA ILE A 43 -6.245 -8.993 -0.941 1.00 0.00 H new ATOM 0 HB ILE A 43 -7.556 -10.388 1.416 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -5.149 -10.858 1.528 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -6.047 -12.289 1.061 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -8.143 -12.080 -0.285 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -8.787 -10.473 -0.697 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -7.343 -11.093 -1.532 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -3.971 -12.102 -0.213 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -5.377 -11.957 -1.293 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -4.466 -10.504 -0.819 1.00 0.00 H new ATOM 631 N PRO A 44 -8.379 -7.543 -0.866 1.00 0.00 N ATOM 632 CA PRO A 44 -9.523 -6.599 -0.820 1.00 0.00 C ATOM 633 C PRO A 44 -10.802 -7.226 -0.253 1.00 0.00 C ATOM 634 O PRO A 44 -11.781 -6.528 0.028 1.00 0.00 O ATOM 635 CB PRO A 44 -9.743 -6.233 -2.285 1.00 0.00 C ATOM 636 CG PRO A 44 -8.480 -6.607 -2.973 1.00 0.00 C ATOM 637 CD PRO A 44 -7.960 -7.803 -2.249 1.00 0.00 C ATOM 0 HA PRO A 44 -9.305 -5.753 -0.168 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -10.593 -6.772 -2.702 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -9.953 -5.169 -2.398 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -8.660 -6.834 -4.024 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -7.761 -5.788 -2.942 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -8.387 -8.729 -2.635 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -6.877 -7.891 -2.335 1.00 0.00 H new ATOM 645 N SER A 45 -10.785 -8.529 -0.088 1.00 0.00 N ATOM 646 CA SER A 45 -11.901 -9.244 0.443 1.00 0.00 C ATOM 647 C SER A 45 -11.915 -9.052 1.958 1.00 0.00 C ATOM 648 O SER A 45 -12.965 -8.865 2.574 1.00 0.00 O ATOM 649 CB SER A 45 -11.732 -10.726 0.115 1.00 0.00 C ATOM 650 OG SER A 45 -11.337 -10.915 -1.249 1.00 0.00 O ATOM 0 H SER A 45 -9.986 -9.118 -0.323 1.00 0.00 H new ATOM 0 HA SER A 45 -12.835 -8.880 0.014 1.00 0.00 H new ATOM 0 HB2 SER A 45 -10.985 -11.164 0.776 1.00 0.00 H new ATOM 0 HB3 SER A 45 -12.669 -11.251 0.301 1.00 0.00 H new ATOM 0 HG SER A 45 -11.235 -11.873 -1.430 1.00 0.00 H new ATOM 656 N LYS A 46 -10.722 -9.043 2.536 1.00 0.00 N ATOM 657 CA LYS A 46 -10.562 -8.952 3.942 1.00 0.00 C ATOM 658 C LYS A 46 -10.357 -7.502 4.367 1.00 0.00 C ATOM 659 O LYS A 46 -10.548 -7.153 5.532 1.00 0.00 O ATOM 660 CB LYS A 46 -9.404 -9.837 4.375 1.00 0.00 C ATOM 661 CG LYS A 46 -8.031 -9.352 3.945 1.00 0.00 C ATOM 662 CD LYS A 46 -6.922 -10.303 4.358 1.00 0.00 C ATOM 663 CE LYS A 46 -6.792 -10.392 5.865 1.00 0.00 C ATOM 664 NZ LYS A 46 -5.686 -11.254 6.277 1.00 0.00 N ATOM 0 H LYS A 46 -9.844 -9.100 2.020 1.00 0.00 H new ATOM 0 HA LYS A 46 -11.467 -9.304 4.437 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -9.419 -9.923 5.461 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -9.561 -10.838 3.974 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -8.015 -9.229 2.862 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -7.844 -8.370 4.380 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -7.122 -11.294 3.951 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -5.977 -9.968 3.930 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -6.643 -9.393 6.274 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -7.723 -10.773 6.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -5.627 -11.270 7.315 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -5.848 -12.219 5.925 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -4.795 -10.887 5.885 1.00 0.00 H new ATOM 678 N PHE A 47 -9.966 -6.652 3.417 1.00 0.00 N ATOM 679 CA PHE A 47 -9.844 -5.226 3.691 1.00 0.00 C ATOM 680 C PHE A 47 -10.639 -4.413 2.667 1.00 0.00 C ATOM 681 O PHE A 47 -10.059 -3.737 1.805 1.00 0.00 O ATOM 682 CB PHE A 47 -8.384 -4.733 3.708 1.00 0.00 C ATOM 683 CG PHE A 47 -7.476 -5.479 4.642 1.00 0.00 C ATOM 684 CD1 PHE A 47 -7.699 -5.460 6.004 1.00 0.00 C ATOM 685 CD2 PHE A 47 -6.392 -6.185 4.155 1.00 0.00 C ATOM 686 CE1 PHE A 47 -6.863 -6.136 6.866 1.00 0.00 C ATOM 687 CE2 PHE A 47 -5.552 -6.864 5.012 1.00 0.00 C ATOM 688 CZ PHE A 47 -5.787 -6.840 6.370 1.00 0.00 C ATOM 0 H PHE A 47 -9.731 -6.925 2.463 1.00 0.00 H new ATOM 0 HA PHE A 47 -10.251 -5.075 4.691 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -7.980 -4.804 2.698 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -8.375 -3.678 3.981 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -8.539 -4.908 6.399 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -6.201 -6.205 3.092 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -7.051 -6.114 7.929 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -4.710 -7.415 4.619 1.00 0.00 H new ATOM 0 HZ PHE A 47 -5.130 -7.371 7.043 1.00 0.00 H new ATOM 698 N PRO A 48 -11.978 -4.512 2.684 1.00 0.00 N ATOM 699 CA PRO A 48 -12.820 -3.728 1.786 1.00 0.00 C ATOM 700 C PRO A 48 -12.967 -2.313 2.331 1.00 0.00 C ATOM 701 O PRO A 48 -13.149 -1.353 1.599 1.00 0.00 O ATOM 702 CB PRO A 48 -14.156 -4.464 1.865 1.00 0.00 C ATOM 703 CG PRO A 48 -14.189 -4.956 3.265 1.00 0.00 C ATOM 704 CD PRO A 48 -12.793 -5.393 3.560 1.00 0.00 C ATOM 0 HA PRO A 48 -12.430 -3.639 0.772 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -14.994 -3.801 1.651 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -14.207 -5.284 1.149 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -14.509 -4.171 3.951 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -14.892 -5.782 3.376 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -12.542 -5.260 4.612 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -12.642 -6.447 3.326 1.00 0.00 H new ATOM 712 N ASN A 49 -12.775 -2.226 3.627 1.00 0.00 N ATOM 713 CA ASN A 49 -12.956 -1.041 4.434 1.00 0.00 C ATOM 714 C ASN A 49 -12.046 0.107 4.026 1.00 0.00 C ATOM 715 O ASN A 49 -12.421 1.264 4.165 1.00 0.00 O ATOM 716 CB ASN A 49 -12.709 -1.391 5.923 1.00 0.00 C ATOM 717 CG ASN A 49 -11.280 -1.906 6.224 1.00 0.00 C ATOM 718 OD1 ASN A 49 -10.628 -2.532 5.388 1.00 0.00 O ATOM 719 ND2 ASN A 49 -10.789 -1.635 7.397 1.00 0.00 N ATOM 0 H ASN A 49 -12.470 -3.028 4.179 1.00 0.00 H new ATOM 0 HA ASN A 49 -13.981 -0.703 4.278 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -12.899 -0.506 6.529 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -13.429 -2.149 6.231 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -9.847 -1.942 7.639 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -11.346 -1.115 8.075 1.00 0.00 H new ATOM 726 N LYS A 50 -10.883 -0.189 3.500 1.00 0.00 N ATOM 727 CA LYS A 50 -9.971 0.846 3.093 1.00 0.00 C ATOM 728 C LYS A 50 -9.967 1.020 1.565 1.00 0.00 C ATOM 729 O LYS A 50 -9.119 1.722 0.996 1.00 0.00 O ATOM 730 CB LYS A 50 -8.580 0.557 3.651 1.00 0.00 C ATOM 731 CG LYS A 50 -8.474 0.629 5.193 1.00 0.00 C ATOM 732 CD LYS A 50 -8.797 2.031 5.732 1.00 0.00 C ATOM 733 CE LYS A 50 -8.698 2.105 7.263 1.00 0.00 C ATOM 734 NZ LYS A 50 -7.306 2.011 7.775 1.00 0.00 N ATOM 0 H LYS A 50 -10.547 -1.140 3.344 1.00 0.00 H new ATOM 0 HA LYS A 50 -10.306 1.798 3.506 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -8.272 -0.437 3.325 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -7.875 1.267 3.218 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -9.157 -0.095 5.637 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -7.467 0.347 5.500 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -8.111 2.754 5.291 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -9.803 2.314 5.421 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -9.138 3.043 7.602 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -9.291 1.299 7.696 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -7.298 1.465 8.660 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -6.708 1.536 7.069 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -6.937 2.967 7.954 1.00 0.00 H new ATOM 748 N ASN A 51 -10.948 0.387 0.929 1.00 0.00 N ATOM 749 CA ASN A 51 -11.204 0.461 -0.520 1.00 0.00 C ATOM 750 C ASN A 51 -9.982 0.032 -1.344 1.00 0.00 C ATOM 751 O ASN A 51 -9.394 0.833 -2.092 1.00 0.00 O ATOM 752 CB ASN A 51 -11.669 1.880 -0.936 1.00 0.00 C ATOM 753 CG ASN A 51 -12.371 1.911 -2.291 1.00 0.00 C ATOM 754 OD1 ASN A 51 -13.018 0.945 -2.683 1.00 0.00 O ATOM 755 ND2 ASN A 51 -12.271 3.019 -3.000 1.00 0.00 N ATOM 0 H ASN A 51 -11.613 -0.213 1.417 1.00 0.00 H new ATOM 0 HA ASN A 51 -12.009 -0.242 -0.734 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -12.345 2.271 -0.175 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -10.805 2.544 -0.967 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -12.740 3.091 -3.903 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -11.725 3.804 -2.645 1.00 0.00 H new ATOM 762 N LEU A 52 -9.546 -1.196 -1.151 1.00 0.00 N ATOM 763 CA LEU A 52 -8.442 -1.746 -1.919 1.00 0.00 C ATOM 764 C LEU A 52 -8.886 -2.144 -3.315 1.00 0.00 C ATOM 765 O LEU A 52 -9.273 -3.290 -3.562 1.00 0.00 O ATOM 766 CB LEU A 52 -7.754 -2.924 -1.200 1.00 0.00 C ATOM 767 CG LEU A 52 -6.713 -2.589 -0.109 1.00 0.00 C ATOM 768 CD1 LEU A 52 -7.299 -1.754 1.010 1.00 0.00 C ATOM 769 CD2 LEU A 52 -6.104 -3.865 0.446 1.00 0.00 C ATOM 0 H LEU A 52 -9.941 -1.838 -0.464 1.00 0.00 H new ATOM 0 HA LEU A 52 -7.700 -0.953 -2.011 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -8.530 -3.539 -0.745 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -7.263 -3.537 -1.955 1.00 0.00 H new ATOM 0 HG LEU A 52 -5.933 -1.991 -0.580 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -6.527 -1.546 1.751 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -7.676 -0.815 0.604 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -8.117 -2.299 1.481 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -5.372 -3.615 1.214 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -6.889 -4.484 0.881 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -5.613 -4.414 -0.358 1.00 0.00 H new ATOM 781 N LYS A 53 -8.906 -1.188 -4.212 1.00 0.00 N ATOM 782 CA LYS A 53 -9.311 -1.460 -5.567 1.00 0.00 C ATOM 783 C LYS A 53 -8.124 -1.487 -6.471 1.00 0.00 C ATOM 784 O LYS A 53 -7.166 -0.734 -6.277 1.00 0.00 O ATOM 785 CB LYS A 53 -10.300 -0.439 -6.110 1.00 0.00 C ATOM 786 CG LYS A 53 -11.578 -0.167 -5.299 1.00 0.00 C ATOM 787 CD LYS A 53 -12.608 -1.305 -5.347 1.00 0.00 C ATOM 788 CE LYS A 53 -12.295 -2.454 -4.399 1.00 0.00 C ATOM 789 NZ LYS A 53 -13.291 -3.538 -4.493 1.00 0.00 N ATOM 0 H LYS A 53 -8.647 -0.219 -4.028 1.00 0.00 H new ATOM 0 HA LYS A 53 -9.804 -2.432 -5.542 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -9.772 0.507 -6.228 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -10.600 -0.763 -7.107 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -11.304 0.016 -4.260 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -12.044 0.746 -5.671 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -13.592 -0.903 -5.104 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -12.663 -1.690 -6.365 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -11.305 -2.851 -4.625 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -12.262 -2.080 -3.376 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -13.039 -4.299 -3.831 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -14.232 -3.167 -4.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -13.305 -3.913 -5.463 1.00 0.00 H new ATOM 803 N LYS A 54 -8.238 -2.334 -7.465 1.00 0.00 N ATOM 804 CA LYS A 54 -7.244 -2.573 -8.493 1.00 0.00 C ATOM 805 C LYS A 54 -5.818 -2.521 -8.012 1.00 0.00 C ATOM 806 O LYS A 54 -5.423 -3.301 -7.169 1.00 0.00 O ATOM 807 CB LYS A 54 -7.476 -1.726 -9.747 1.00 0.00 C ATOM 808 CG LYS A 54 -8.642 -2.175 -10.608 1.00 0.00 C ATOM 809 CD LYS A 54 -8.372 -3.549 -11.218 1.00 0.00 C ATOM 810 CE LYS A 54 -9.416 -3.926 -12.252 1.00 0.00 C ATOM 811 NZ LYS A 54 -9.448 -2.965 -13.380 1.00 0.00 N ATOM 0 H LYS A 54 -9.072 -2.909 -7.589 1.00 0.00 H new ATOM 0 HA LYS A 54 -7.396 -3.613 -8.782 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -7.642 -0.692 -9.445 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -6.569 -1.740 -10.351 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -9.550 -2.212 -10.007 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -8.814 -1.448 -11.402 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -7.385 -3.553 -11.681 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -8.356 -4.300 -10.428 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -9.206 -4.926 -12.632 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -10.398 -3.964 -11.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -9.918 -3.404 -14.197 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -9.973 -2.113 -13.096 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -8.476 -2.702 -13.640 1.00 0.00 H new ATOM 825 N ASN A 55 -5.092 -1.576 -8.512 1.00 0.00 N ATOM 826 CA ASN A 55 -3.702 -1.390 -8.206 1.00 0.00 C ATOM 827 C ASN A 55 -3.514 0.084 -7.948 1.00 0.00 C ATOM 828 O ASN A 55 -2.562 0.723 -8.383 1.00 0.00 O ATOM 829 CB ASN A 55 -2.829 -1.945 -9.375 1.00 0.00 C ATOM 830 CG ASN A 55 -3.060 -1.299 -10.737 1.00 0.00 C ATOM 831 OD1 ASN A 55 -2.254 -0.347 -11.101 1.00 0.00 O flip ATOM 832 ND2 ASN A 55 -3.951 -1.701 -11.476 1.00 0.00 N flip ATOM 0 H ASN A 55 -5.458 -0.886 -9.168 1.00 0.00 H new ATOM 0 HA ASN A 55 -3.384 -1.941 -7.321 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -1.779 -1.824 -9.109 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -3.013 -3.016 -9.465 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -4.571 -2.450 -11.167 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -4.073 -1.287 -12.400 1.00 0.00 H new ATOM 839 N TYR A 56 -4.492 0.604 -7.240 1.00 0.00 N ATOM 840 CA TYR A 56 -4.568 1.994 -6.852 1.00 0.00 C ATOM 841 C TYR A 56 -3.759 2.219 -5.596 1.00 0.00 C ATOM 842 O TYR A 56 -3.713 1.337 -4.739 1.00 0.00 O ATOM 843 CB TYR A 56 -6.041 2.351 -6.601 1.00 0.00 C ATOM 844 CG TYR A 56 -6.942 2.214 -7.819 1.00 0.00 C ATOM 845 CD1 TYR A 56 -6.424 2.136 -9.123 1.00 0.00 C ATOM 846 CD2 TYR A 56 -8.309 2.127 -7.664 1.00 0.00 C ATOM 847 CE1 TYR A 56 -7.256 1.971 -10.208 1.00 0.00 C ATOM 848 CE2 TYR A 56 -9.143 1.970 -8.747 1.00 0.00 C ATOM 849 CZ TYR A 56 -8.614 1.890 -10.013 1.00 0.00 C ATOM 850 OH TYR A 56 -9.450 1.706 -11.090 1.00 0.00 O ATOM 0 H TYR A 56 -5.283 0.052 -6.908 1.00 0.00 H new ATOM 0 HA TYR A 56 -4.164 2.626 -7.643 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -6.426 1.711 -5.807 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -6.096 3.377 -6.238 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -5.357 2.207 -9.277 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -8.734 2.183 -6.673 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -6.844 1.906 -11.204 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -10.212 1.910 -8.603 1.00 0.00 H new ATOM 0 HH TYR A 56 -10.336 1.432 -10.773 1.00 0.00 H new ATOM 860 N CYS A 57 -3.160 3.389 -5.457 1.00 0.00 N ATOM 861 CA CYS A 57 -2.359 3.673 -4.278 1.00 0.00 C ATOM 862 C CYS A 57 -3.276 3.875 -3.105 1.00 0.00 C ATOM 863 O CYS A 57 -4.082 4.826 -3.066 1.00 0.00 O ATOM 864 CB CYS A 57 -1.460 4.895 -4.452 1.00 0.00 C ATOM 865 SG CYS A 57 -0.252 4.787 -5.822 1.00 0.00 S ATOM 0 H CYS A 57 -3.211 4.149 -6.136 1.00 0.00 H new ATOM 0 HA CYS A 57 -1.699 2.821 -4.112 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -2.090 5.769 -4.613 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -0.916 5.061 -3.522 1.00 0.00 H new ATOM 870 N ARG A 58 -3.200 2.989 -2.170 1.00 0.00 N ATOM 871 CA ARG A 58 -4.090 3.018 -1.055 1.00 0.00 C ATOM 872 C ARG A 58 -3.274 3.153 0.207 1.00 0.00 C ATOM 873 O ARG A 58 -2.058 2.950 0.182 1.00 0.00 O ATOM 874 CB ARG A 58 -4.938 1.716 -1.006 1.00 0.00 C ATOM 875 CG ARG A 58 -5.608 1.310 -2.324 1.00 0.00 C ATOM 876 CD ARG A 58 -6.400 2.436 -2.969 1.00 0.00 C ATOM 877 NE ARG A 58 -7.514 2.859 -2.159 1.00 0.00 N ATOM 878 CZ ARG A 58 -7.642 4.057 -1.614 1.00 0.00 C ATOM 879 NH1 ARG A 58 -6.768 5.022 -1.899 1.00 0.00 N ATOM 880 NH2 ARG A 58 -8.639 4.295 -0.772 1.00 0.00 N ATOM 0 H ARG A 58 -2.523 2.226 -2.155 1.00 0.00 H new ATOM 0 HA ARG A 58 -4.771 3.864 -1.150 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -4.296 0.898 -0.679 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -5.712 1.836 -0.248 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -4.844 0.967 -3.021 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -6.273 0.466 -2.140 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -5.740 3.285 -3.146 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -6.766 2.108 -3.942 1.00 0.00 H new ATOM 0 HE ARG A 58 -8.260 2.183 -1.994 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -5.996 4.838 -2.540 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -6.871 5.944 -1.476 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -9.304 3.555 -0.547 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -8.741 5.218 -0.350 1.00 0.00 H new ATOM 894 N ASN A 59 -3.910 3.535 1.271 1.00 0.00 N ATOM 895 CA ASN A 59 -3.264 3.564 2.573 1.00 0.00 C ATOM 896 C ASN A 59 -4.210 2.917 3.561 1.00 0.00 C ATOM 897 O ASN A 59 -5.099 3.563 4.082 1.00 0.00 O ATOM 898 CB ASN A 59 -2.899 4.999 3.058 1.00 0.00 C ATOM 899 CG ASN A 59 -2.050 5.008 4.358 1.00 0.00 C ATOM 900 OD1 ASN A 59 -2.084 4.077 5.172 1.00 0.00 O ATOM 901 ND2 ASN A 59 -1.322 6.073 4.578 1.00 0.00 N ATOM 0 H ASN A 59 -4.885 3.836 1.276 1.00 0.00 H new ATOM 0 HA ASN A 59 -2.318 3.028 2.495 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -2.350 5.513 2.269 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -3.816 5.563 3.227 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -0.770 6.146 5.432 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -1.307 6.830 3.895 1.00 0.00 H new ATOM 908 N PRO A 60 -4.136 1.606 3.710 1.00 0.00 N ATOM 909 CA PRO A 60 -4.938 0.902 4.694 1.00 0.00 C ATOM 910 C PRO A 60 -4.220 0.780 6.057 1.00 0.00 C ATOM 911 O PRO A 60 -4.845 0.821 7.122 1.00 0.00 O ATOM 912 CB PRO A 60 -5.114 -0.467 4.041 1.00 0.00 C ATOM 913 CG PRO A 60 -3.856 -0.685 3.259 1.00 0.00 C ATOM 914 CD PRO A 60 -3.345 0.676 2.860 1.00 0.00 C ATOM 0 HA PRO A 60 -5.874 1.411 4.926 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -5.254 -1.247 4.790 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -5.990 -0.486 3.393 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -3.116 -1.214 3.859 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -4.050 -1.298 2.379 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -2.275 0.774 3.046 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -3.503 0.869 1.799 1.00 0.00 H new ATOM 922 N ASP A 61 -2.929 0.644 5.964 1.00 0.00 N ATOM 923 CA ASP A 61 -1.965 0.422 7.050 1.00 0.00 C ATOM 924 C ASP A 61 -1.907 1.513 8.097 1.00 0.00 C ATOM 925 O ASP A 61 -1.502 1.247 9.241 1.00 0.00 O ATOM 926 CB ASP A 61 -0.587 0.417 6.442 1.00 0.00 C ATOM 927 CG ASP A 61 -0.356 -0.614 5.431 1.00 0.00 C ATOM 928 OD1 ASP A 61 -0.892 -0.473 4.341 1.00 0.00 O ATOM 929 OD2 ASP A 61 0.416 -1.541 5.696 1.00 0.00 O ATOM 0 H ASP A 61 -2.465 0.686 5.057 1.00 0.00 H new ATOM 0 HA ASP A 61 -2.281 -0.504 7.531 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -0.402 1.392 5.992 1.00 0.00 H new ATOM 0 HB3 ASP A 61 0.144 0.291 7.240 1.00 0.00 H new ATOM 934 N ARG A 62 -2.300 2.725 7.721 1.00 0.00 N ATOM 935 CA ARG A 62 -2.011 3.953 8.491 1.00 0.00 C ATOM 936 C ARG A 62 -0.512 4.162 8.421 1.00 0.00 C ATOM 937 O ARG A 62 0.176 4.336 9.435 1.00 0.00 O ATOM 938 CB ARG A 62 -2.468 3.975 9.985 1.00 0.00 C ATOM 939 CG ARG A 62 -3.964 3.887 10.259 1.00 0.00 C ATOM 940 CD ARG A 62 -4.489 2.489 10.077 1.00 0.00 C ATOM 941 NE ARG A 62 -3.710 1.551 10.883 1.00 0.00 N ATOM 942 CZ ARG A 62 -4.013 1.144 12.106 1.00 0.00 C ATOM 943 NH1 ARG A 62 -5.116 1.591 12.717 1.00 0.00 N ATOM 944 NH2 ARG A 62 -3.198 0.313 12.727 1.00 0.00 N ATOM 0 H ARG A 62 -2.833 2.896 6.868 1.00 0.00 H new ATOM 0 HA ARG A 62 -2.599 4.749 8.035 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -1.982 3.146 10.499 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -2.095 4.894 10.438 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -4.166 4.221 11.277 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -4.496 4.564 9.590 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -5.539 2.446 10.368 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -4.438 2.207 9.025 1.00 0.00 H new ATOM 0 HE ARG A 62 -2.857 1.177 10.466 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -5.731 2.251 12.241 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -5.342 1.272 13.659 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -2.347 -0.008 12.265 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -3.419 -0.009 13.669 1.00 0.00 H new ATOM 958 N ASP A 63 0.000 4.012 7.219 1.00 0.00 N ATOM 959 CA ASP A 63 1.397 4.208 6.929 1.00 0.00 C ATOM 960 C ASP A 63 1.609 5.713 6.721 1.00 0.00 C ATOM 961 O ASP A 63 0.639 6.490 6.795 1.00 0.00 O ATOM 962 CB ASP A 63 1.792 3.371 5.677 1.00 0.00 C ATOM 963 CG ASP A 63 3.276 3.048 5.585 1.00 0.00 C ATOM 964 OD1 ASP A 63 4.112 3.955 5.583 1.00 0.00 O ATOM 965 OD2 ASP A 63 3.619 1.849 5.513 1.00 0.00 O ATOM 0 H ASP A 63 -0.554 3.746 6.405 1.00 0.00 H new ATOM 0 HA ASP A 63 2.036 3.868 7.745 1.00 0.00 H new ATOM 0 HB2 ASP A 63 1.228 2.438 5.685 1.00 0.00 H new ATOM 0 HB3 ASP A 63 1.494 3.916 4.781 1.00 0.00 H new ATOM 970 N LEU A 64 2.815 6.121 6.434 1.00 0.00 N ATOM 971 CA LEU A 64 3.157 7.542 6.347 1.00 0.00 C ATOM 972 C LEU A 64 2.484 8.235 5.165 1.00 0.00 C ATOM 973 O LEU A 64 2.283 9.453 5.176 1.00 0.00 O ATOM 974 CB LEU A 64 4.685 7.774 6.332 1.00 0.00 C ATOM 975 CG LEU A 64 5.461 7.471 7.642 1.00 0.00 C ATOM 976 CD1 LEU A 64 5.491 5.986 7.981 1.00 0.00 C ATOM 977 CD2 LEU A 64 6.865 8.028 7.569 1.00 0.00 C ATOM 0 H LEU A 64 3.597 5.492 6.252 1.00 0.00 H new ATOM 0 HA LEU A 64 2.764 8.001 7.254 1.00 0.00 H new ATOM 0 HB2 LEU A 64 5.112 7.162 5.537 1.00 0.00 H new ATOM 0 HB3 LEU A 64 4.866 8.815 6.065 1.00 0.00 H new ATOM 0 HG LEU A 64 4.921 7.966 8.449 1.00 0.00 H new ATOM 0 HD11 LEU A 64 6.047 5.835 8.906 1.00 0.00 H new ATOM 0 HD12 LEU A 64 4.472 5.621 8.106 1.00 0.00 H new ATOM 0 HD13 LEU A 64 5.976 5.438 7.173 1.00 0.00 H new ATOM 0 HD21 LEU A 64 7.393 7.806 8.496 1.00 0.00 H new ATOM 0 HD22 LEU A 64 7.394 7.573 6.732 1.00 0.00 H new ATOM 0 HD23 LEU A 64 6.821 9.108 7.426 1.00 0.00 H new ATOM 989 N ARG A 65 2.126 7.464 4.174 1.00 0.00 N ATOM 990 CA ARG A 65 1.440 7.945 2.997 1.00 0.00 C ATOM 991 C ARG A 65 0.969 6.729 2.235 1.00 0.00 C ATOM 992 O ARG A 65 1.417 5.621 2.555 1.00 0.00 O ATOM 993 CB ARG A 65 2.378 8.790 2.118 1.00 0.00 C ATOM 994 CG ARG A 65 3.585 8.038 1.612 1.00 0.00 C ATOM 995 CD ARG A 65 4.434 8.900 0.726 1.00 0.00 C ATOM 996 NE ARG A 65 4.882 10.105 1.413 1.00 0.00 N ATOM 997 CZ ARG A 65 5.249 11.226 0.807 1.00 0.00 C ATOM 998 NH1 ARG A 65 5.294 11.261 -0.511 1.00 0.00 N ATOM 999 NH2 ARG A 65 5.618 12.272 1.521 1.00 0.00 N ATOM 0 H ARG A 65 2.306 6.460 4.159 1.00 0.00 H new ATOM 0 HA ARG A 65 0.603 8.583 3.280 1.00 0.00 H new ATOM 0 HB2 ARG A 65 1.816 9.171 1.265 1.00 0.00 H new ATOM 0 HB3 ARG A 65 2.714 9.655 2.690 1.00 0.00 H new ATOM 0 HG2 ARG A 65 4.178 7.687 2.457 1.00 0.00 H new ATOM 0 HG3 ARG A 65 3.261 7.155 1.061 1.00 0.00 H new ATOM 0 HD2 ARG A 65 5.300 8.331 0.387 1.00 0.00 H new ATOM 0 HD3 ARG A 65 3.867 9.177 -0.163 1.00 0.00 H new ATOM 0 HE ARG A 65 4.916 10.085 2.432 1.00 0.00 H new ATOM 0 HH11 ARG A 65 5.048 10.432 -1.052 1.00 0.00 H new ATOM 0 HH12 ARG A 65 5.575 12.117 -0.989 1.00 0.00 H new ATOM 0 HH21 ARG A 65 5.621 12.219 2.540 1.00 0.00 H new ATOM 0 HH22 ARG A 65 5.900 13.134 1.054 1.00 0.00 H new ATOM 1013 N PRO A 66 0.041 6.875 1.259 1.00 0.00 N ATOM 1014 CA PRO A 66 -0.393 5.761 0.438 1.00 0.00 C ATOM 1015 C PRO A 66 0.749 5.199 -0.349 1.00 0.00 C ATOM 1016 O PRO A 66 1.729 5.894 -0.673 1.00 0.00 O ATOM 1017 CB PRO A 66 -1.445 6.375 -0.485 1.00 0.00 C ATOM 1018 CG PRO A 66 -1.936 7.509 0.304 1.00 0.00 C ATOM 1019 CD PRO A 66 -0.697 8.094 0.899 1.00 0.00 C ATOM 0 HA PRO A 66 -0.784 4.931 1.027 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -1.015 6.697 -1.433 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -2.241 5.669 -0.719 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -2.460 8.233 -0.320 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -2.636 7.187 1.075 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -0.150 8.713 0.188 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -0.911 8.718 1.766 1.00 0.00 H new ATOM 1027 N TRP A 67 0.627 3.988 -0.666 1.00 0.00 N ATOM 1028 CA TRP A 67 1.650 3.262 -1.306 1.00 0.00 C ATOM 1029 C TRP A 67 0.991 2.233 -2.179 1.00 0.00 C ATOM 1030 O TRP A 67 -0.251 2.205 -2.262 1.00 0.00 O ATOM 1031 CB TRP A 67 2.568 2.615 -0.237 1.00 0.00 C ATOM 1032 CG TRP A 67 1.834 1.714 0.701 1.00 0.00 C ATOM 1033 CD1 TRP A 67 1.175 2.067 1.848 1.00 0.00 C ATOM 1034 CD2 TRP A 67 1.676 0.311 0.565 1.00 0.00 C ATOM 1035 NE1 TRP A 67 0.606 0.961 2.406 1.00 0.00 N ATOM 1036 CE2 TRP A 67 0.901 -0.126 1.637 1.00 0.00 C ATOM 1037 CE3 TRP A 67 2.115 -0.618 -0.369 1.00 0.00 C ATOM 1038 CZ2 TRP A 67 0.551 -1.448 1.797 1.00 0.00 C ATOM 1039 CZ3 TRP A 67 1.769 -1.928 -0.207 1.00 0.00 C ATOM 1040 CH2 TRP A 67 0.991 -2.331 0.870 1.00 0.00 C ATOM 0 H TRP A 67 -0.216 3.443 -0.485 1.00 0.00 H new ATOM 0 HA TRP A 67 2.278 3.905 -1.922 1.00 0.00 H new ATOM 0 HB2 TRP A 67 3.353 2.047 -0.737 1.00 0.00 H new ATOM 0 HB3 TRP A 67 3.059 3.402 0.335 1.00 0.00 H new ATOM 0 HD1 TRP A 67 1.115 3.068 2.249 1.00 0.00 H new ATOM 0 HE1 TRP A 67 0.049 0.948 3.261 1.00 0.00 H new ATOM 0 HE3 TRP A 67 2.720 -0.309 -1.209 1.00 0.00 H new ATOM 0 HZ2 TRP A 67 -0.053 -1.769 2.633 1.00 0.00 H new ATOM 0 HZ3 TRP A 67 2.105 -2.661 -0.926 1.00 0.00 H new ATOM 0 HH2 TRP A 67 0.731 -3.374 0.971 1.00 0.00 H new ATOM 1051 N CYS A 68 1.768 1.411 -2.821 1.00 0.00 N ATOM 1052 CA CYS A 68 1.220 0.390 -3.645 1.00 0.00 C ATOM 1053 C CYS A 68 2.290 -0.664 -3.872 1.00 0.00 C ATOM 1054 O CYS A 68 3.493 -0.364 -3.751 1.00 0.00 O ATOM 1055 CB CYS A 68 0.755 0.989 -4.974 1.00 0.00 C ATOM 1056 SG CYS A 68 -0.814 0.314 -5.562 1.00 0.00 S ATOM 0 H CYS A 68 2.787 1.433 -2.785 1.00 0.00 H new ATOM 0 HA CYS A 68 0.356 -0.067 -3.163 1.00 0.00 H new ATOM 0 HB2 CYS A 68 0.657 2.069 -4.862 1.00 0.00 H new ATOM 0 HB3 CYS A 68 1.522 0.815 -5.729 1.00 0.00 H new ATOM 1061 N PHE A 69 1.887 -1.889 -4.136 1.00 0.00 N ATOM 1062 CA PHE A 69 2.835 -2.930 -4.429 1.00 0.00 C ATOM 1063 C PHE A 69 3.325 -2.758 -5.832 1.00 0.00 C ATOM 1064 O PHE A 69 2.614 -2.263 -6.669 1.00 0.00 O ATOM 1065 CB PHE A 69 2.229 -4.323 -4.256 1.00 0.00 C ATOM 1066 CG PHE A 69 2.080 -4.765 -2.835 1.00 0.00 C ATOM 1067 CD1 PHE A 69 3.188 -5.182 -2.115 1.00 0.00 C ATOM 1068 CD2 PHE A 69 0.846 -4.783 -2.221 1.00 0.00 C ATOM 1069 CE1 PHE A 69 3.071 -5.600 -0.811 1.00 0.00 C ATOM 1070 CE2 PHE A 69 0.721 -5.200 -0.913 1.00 0.00 C ATOM 1071 CZ PHE A 69 1.837 -5.611 -0.208 1.00 0.00 C ATOM 0 H PHE A 69 0.910 -2.183 -4.153 1.00 0.00 H new ATOM 0 HA PHE A 69 3.662 -2.848 -3.724 1.00 0.00 H new ATOM 0 HB2 PHE A 69 1.249 -4.340 -4.733 1.00 0.00 H new ATOM 0 HB3 PHE A 69 2.853 -5.044 -4.784 1.00 0.00 H new ATOM 0 HD1 PHE A 69 4.160 -5.178 -2.586 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -0.030 -4.468 -2.769 1.00 0.00 H new ATOM 0 HE1 PHE A 69 3.945 -5.918 -0.263 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -0.249 -5.206 -0.439 1.00 0.00 H new ATOM 0 HZ PHE A 69 1.739 -5.940 0.816 1.00 0.00 H new ATOM 1081 N THR A 70 4.507 -3.128 -6.089 1.00 0.00 N ATOM 1082 CA THR A 70 5.033 -3.015 -7.400 1.00 0.00 C ATOM 1083 C THR A 70 4.915 -4.330 -8.131 1.00 0.00 C ATOM 1084 O THR A 70 5.053 -5.403 -7.533 1.00 0.00 O ATOM 1085 CB THR A 70 6.486 -2.584 -7.318 1.00 0.00 C ATOM 1086 OG1 THR A 70 7.002 -3.018 -6.069 1.00 0.00 O ATOM 1087 CG2 THR A 70 6.632 -1.087 -7.450 1.00 0.00 C ATOM 0 H THR A 70 5.150 -3.521 -5.402 1.00 0.00 H new ATOM 0 HA THR A 70 4.464 -2.268 -7.954 1.00 0.00 H new ATOM 0 HB THR A 70 7.041 -3.032 -8.142 1.00 0.00 H new ATOM 0 HG1 THR A 70 6.995 -2.271 -5.435 1.00 0.00 H new ATOM 0 HG21 THR A 70 7.686 -0.817 -7.386 1.00 0.00 H new ATOM 0 HG22 THR A 70 6.233 -0.766 -8.412 1.00 0.00 H new ATOM 0 HG23 THR A 70 6.083 -0.596 -6.647 1.00 0.00 H new ATOM 1095 N THR A 71 4.623 -4.271 -9.403 1.00 0.00 N ATOM 1096 CA THR A 71 4.604 -5.472 -10.185 1.00 0.00 C ATOM 1097 C THR A 71 6.004 -5.699 -10.780 1.00 0.00 C ATOM 1098 O THR A 71 6.247 -6.659 -11.517 1.00 0.00 O ATOM 1099 CB THR A 71 3.489 -5.459 -11.281 1.00 0.00 C ATOM 1100 OG1 THR A 71 3.407 -6.739 -11.922 1.00 0.00 O ATOM 1101 CG2 THR A 71 3.734 -4.382 -12.327 1.00 0.00 C ATOM 0 H THR A 71 4.398 -3.416 -9.912 1.00 0.00 H new ATOM 0 HA THR A 71 4.352 -6.310 -9.535 1.00 0.00 H new ATOM 0 HB THR A 71 2.547 -5.236 -10.781 1.00 0.00 H new ATOM 0 HG1 THR A 71 4.308 -7.111 -12.027 1.00 0.00 H new ATOM 0 HG21 THR A 71 2.936 -4.408 -13.069 1.00 0.00 H new ATOM 0 HG22 THR A 71 3.750 -3.404 -11.846 1.00 0.00 H new ATOM 0 HG23 THR A 71 4.691 -4.561 -12.817 1.00 0.00 H new ATOM 1109 N ASP A 72 6.918 -4.802 -10.434 1.00 0.00 N ATOM 1110 CA ASP A 72 8.305 -4.913 -10.818 1.00 0.00 C ATOM 1111 C ASP A 72 8.942 -5.952 -9.910 1.00 0.00 C ATOM 1112 O ASP A 72 8.744 -5.895 -8.713 1.00 0.00 O ATOM 1113 CB ASP A 72 9.004 -3.558 -10.641 1.00 0.00 C ATOM 1114 CG ASP A 72 10.477 -3.614 -10.969 1.00 0.00 C ATOM 1115 OD1 ASP A 72 10.849 -3.426 -12.150 1.00 0.00 O ATOM 1116 OD2 ASP A 72 11.286 -3.842 -10.060 1.00 0.00 O ATOM 0 H ASP A 72 6.709 -3.974 -9.875 1.00 0.00 H new ATOM 0 HA ASP A 72 8.397 -5.208 -11.863 1.00 0.00 H new ATOM 0 HB2 ASP A 72 8.522 -2.819 -11.281 1.00 0.00 H new ATOM 0 HB3 ASP A 72 8.878 -3.220 -9.612 1.00 0.00 H new ATOM 1121 N PRO A 73 9.689 -6.925 -10.446 1.00 0.00 N ATOM 1122 CA PRO A 73 10.245 -8.024 -9.641 1.00 0.00 C ATOM 1123 C PRO A 73 11.351 -7.611 -8.659 1.00 0.00 C ATOM 1124 O PRO A 73 11.751 -8.403 -7.797 1.00 0.00 O ATOM 1125 CB PRO A 73 10.795 -9.013 -10.671 1.00 0.00 C ATOM 1126 CG PRO A 73 10.367 -8.518 -11.999 1.00 0.00 C ATOM 1127 CD PRO A 73 10.044 -7.063 -11.861 1.00 0.00 C ATOM 0 HA PRO A 73 9.467 -8.434 -8.997 1.00 0.00 H new ATOM 0 HB2 PRO A 73 11.882 -9.072 -10.611 1.00 0.00 H new ATOM 0 HB3 PRO A 73 10.411 -10.017 -10.489 1.00 0.00 H new ATOM 0 HG2 PRO A 73 11.157 -8.666 -12.735 1.00 0.00 H new ATOM 0 HG3 PRO A 73 9.496 -9.071 -12.351 1.00 0.00 H new ATOM 0 HD2 PRO A 73 10.896 -6.436 -12.124 1.00 0.00 H new ATOM 0 HD3 PRO A 73 9.220 -6.771 -12.512 1.00 0.00 H new ATOM 1135 N ASN A 74 11.847 -6.400 -8.777 1.00 0.00 N ATOM 1136 CA ASN A 74 12.895 -5.938 -7.891 1.00 0.00 C ATOM 1137 C ASN A 74 12.270 -5.355 -6.633 1.00 0.00 C ATOM 1138 O ASN A 74 12.692 -5.645 -5.515 1.00 0.00 O ATOM 1139 CB ASN A 74 13.764 -4.891 -8.595 1.00 0.00 C ATOM 1140 CG ASN A 74 14.927 -4.374 -7.763 1.00 0.00 C ATOM 1141 OD1 ASN A 74 15.521 -5.215 -6.963 1.00 0.00 O flip ATOM 1142 ND2 ASN A 74 15.309 -3.216 -7.877 1.00 0.00 N flip ATOM 0 H ASN A 74 11.545 -5.719 -9.474 1.00 0.00 H new ATOM 0 HA ASN A 74 13.533 -6.778 -7.617 1.00 0.00 H new ATOM 0 HB2 ASN A 74 14.156 -5.323 -9.516 1.00 0.00 H new ATOM 0 HB3 ASN A 74 13.135 -4.048 -8.881 1.00 0.00 H new ATOM 0 HD21 ASN A 74 14.825 -2.579 -8.511 1.00 0.00 H new ATOM 0 HD22 ASN A 74 16.111 -2.888 -7.338 1.00 0.00 H new ATOM 1149 N LYS A 75 11.238 -4.576 -6.815 1.00 0.00 N ATOM 1150 CA LYS A 75 10.551 -3.946 -5.707 1.00 0.00 C ATOM 1151 C LYS A 75 9.372 -4.742 -5.249 1.00 0.00 C ATOM 1152 O LYS A 75 8.590 -5.202 -6.045 1.00 0.00 O ATOM 1153 CB LYS A 75 10.089 -2.538 -6.035 1.00 0.00 C ATOM 1154 CG LYS A 75 11.043 -1.438 -5.640 1.00 0.00 C ATOM 1155 CD LYS A 75 12.339 -1.466 -6.417 1.00 0.00 C ATOM 1156 CE LYS A 75 13.222 -0.287 -6.044 1.00 0.00 C ATOM 1157 NZ LYS A 75 12.705 1.008 -6.542 1.00 0.00 N ATOM 0 H LYS A 75 10.846 -4.357 -7.731 1.00 0.00 H new ATOM 0 HA LYS A 75 11.287 -3.898 -4.904 1.00 0.00 H new ATOM 0 HB2 LYS A 75 9.910 -2.473 -7.108 1.00 0.00 H new ATOM 0 HB3 LYS A 75 9.133 -2.362 -5.541 1.00 0.00 H new ATOM 0 HG2 LYS A 75 10.558 -0.474 -5.790 1.00 0.00 H new ATOM 0 HG3 LYS A 75 11.263 -1.522 -4.576 1.00 0.00 H new ATOM 0 HD2 LYS A 75 12.867 -2.398 -6.217 1.00 0.00 H new ATOM 0 HD3 LYS A 75 12.127 -1.443 -7.486 1.00 0.00 H new ATOM 0 HE2 LYS A 75 13.316 -0.241 -4.959 1.00 0.00 H new ATOM 0 HE3 LYS A 75 14.223 -0.450 -6.444 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 13.406 1.755 -6.360 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 12.528 0.941 -7.565 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 11.818 1.239 -6.051 1.00 0.00 H new ATOM 1171 N ARG A 76 9.233 -4.871 -3.967 1.00 0.00 N ATOM 1172 CA ARG A 76 8.078 -5.561 -3.394 1.00 0.00 C ATOM 1173 C ARG A 76 6.932 -4.581 -3.384 1.00 0.00 C ATOM 1174 O ARG A 76 5.839 -4.848 -3.884 1.00 0.00 O ATOM 1175 CB ARG A 76 8.374 -6.023 -1.968 1.00 0.00 C ATOM 1176 CG ARG A 76 7.185 -6.673 -1.257 1.00 0.00 C ATOM 1177 CD ARG A 76 7.540 -7.118 0.161 1.00 0.00 C ATOM 1178 NE ARG A 76 8.351 -8.346 0.196 1.00 0.00 N ATOM 1179 CZ ARG A 76 9.685 -8.428 0.362 1.00 0.00 C ATOM 1180 NH1 ARG A 76 10.460 -7.351 0.281 1.00 0.00 N ATOM 1181 NH2 ARG A 76 10.253 -9.593 0.575 1.00 0.00 N ATOM 0 H ARG A 76 9.897 -4.513 -3.280 1.00 0.00 H new ATOM 0 HA ARG A 76 7.837 -6.445 -3.985 1.00 0.00 H new ATOM 0 HB2 ARG A 76 9.200 -6.734 -1.993 1.00 0.00 H new ATOM 0 HB3 ARG A 76 8.708 -5.166 -1.383 1.00 0.00 H new ATOM 0 HG2 ARG A 76 6.355 -5.967 -1.218 1.00 0.00 H new ATOM 0 HG3 ARG A 76 6.845 -7.534 -1.833 1.00 0.00 H new ATOM 0 HD2 ARG A 76 8.084 -6.317 0.661 1.00 0.00 H new ATOM 0 HD3 ARG A 76 6.621 -7.280 0.725 1.00 0.00 H new ATOM 0 HE ARG A 76 7.850 -9.227 0.083 1.00 0.00 H new ATOM 0 HH11 ARG A 76 10.047 -6.438 0.090 1.00 0.00 H new ATOM 0 HH12 ARG A 76 11.468 -7.437 0.410 1.00 0.00 H new ATOM 0 HH21 ARG A 76 9.684 -10.438 0.615 1.00 0.00 H new ATOM 0 HH22 ARG A 76 11.264 -9.652 0.700 1.00 0.00 H new ATOM 1195 N TRP A 77 7.224 -3.440 -2.838 1.00 0.00 N ATOM 1196 CA TRP A 77 6.321 -2.327 -2.788 1.00 0.00 C ATOM 1197 C TRP A 77 7.105 -1.048 -2.829 1.00 0.00 C ATOM 1198 O TRP A 77 8.342 -1.043 -2.625 1.00 0.00 O ATOM 1199 CB TRP A 77 5.424 -2.336 -1.512 1.00 0.00 C ATOM 1200 CG TRP A 77 6.176 -2.322 -0.186 1.00 0.00 C ATOM 1201 CD1 TRP A 77 6.523 -3.399 0.575 1.00 0.00 C ATOM 1202 CD2 TRP A 77 6.654 -1.166 0.533 1.00 0.00 C ATOM 1203 NE1 TRP A 77 7.213 -2.990 1.692 1.00 0.00 N ATOM 1204 CE2 TRP A 77 7.300 -1.630 1.689 1.00 0.00 C ATOM 1205 CE3 TRP A 77 6.606 0.211 0.302 1.00 0.00 C ATOM 1206 CZ2 TRP A 77 7.891 -0.771 2.606 1.00 0.00 C ATOM 1207 CZ3 TRP A 77 7.191 1.059 1.213 1.00 0.00 C ATOM 1208 CH2 TRP A 77 7.826 0.568 2.351 1.00 0.00 C ATOM 0 H TRP A 77 8.126 -3.250 -2.401 1.00 0.00 H new ATOM 0 HA TRP A 77 5.661 -2.407 -3.652 1.00 0.00 H new ATOM 0 HB2 TRP A 77 4.764 -1.469 -1.546 1.00 0.00 H new ATOM 0 HB3 TRP A 77 4.789 -3.221 -1.541 1.00 0.00 H new ATOM 0 HD1 TRP A 77 6.289 -4.426 0.335 1.00 0.00 H new ATOM 0 HE1 TRP A 77 7.598 -3.606 2.408 1.00 0.00 H new ATOM 0 HE3 TRP A 77 6.117 0.603 -0.578 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 8.384 -1.149 3.489 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 7.157 2.125 1.043 1.00 0.00 H new ATOM 0 HH2 TRP A 77 8.276 1.261 3.046 1.00 0.00 H new ATOM 1219 N GLU A 78 6.403 0.008 -3.062 1.00 0.00 N ATOM 1220 CA GLU A 78 6.941 1.343 -3.010 1.00 0.00 C ATOM 1221 C GLU A 78 5.888 2.270 -2.497 1.00 0.00 C ATOM 1222 O GLU A 78 4.692 1.943 -2.511 1.00 0.00 O ATOM 1223 CB GLU A 78 7.419 1.887 -4.360 1.00 0.00 C ATOM 1224 CG GLU A 78 8.674 1.275 -4.934 1.00 0.00 C ATOM 1225 CD GLU A 78 9.194 2.091 -6.083 1.00 0.00 C ATOM 1226 OE1 GLU A 78 8.396 2.603 -6.888 1.00 0.00 O ATOM 1227 OE2 GLU A 78 10.417 2.292 -6.162 1.00 0.00 O ATOM 0 H GLU A 78 5.412 -0.024 -3.301 1.00 0.00 H new ATOM 0 HA GLU A 78 7.812 1.288 -2.358 1.00 0.00 H new ATOM 0 HB2 GLU A 78 6.615 1.755 -5.084 1.00 0.00 H new ATOM 0 HB3 GLU A 78 7.581 2.960 -4.256 1.00 0.00 H new ATOM 0 HG2 GLU A 78 9.437 1.205 -4.158 1.00 0.00 H new ATOM 0 HG3 GLU A 78 8.467 0.259 -5.269 1.00 0.00 H new ATOM 1234 N TYR A 79 6.314 3.408 -2.042 1.00 0.00 N ATOM 1235 CA TYR A 79 5.420 4.436 -1.639 1.00 0.00 C ATOM 1236 C TYR A 79 4.839 5.096 -2.858 1.00 0.00 C ATOM 1237 O TYR A 79 5.371 4.968 -3.960 1.00 0.00 O ATOM 1238 CB TYR A 79 6.109 5.475 -0.763 1.00 0.00 C ATOM 1239 CG TYR A 79 6.260 5.086 0.686 1.00 0.00 C ATOM 1240 CD1 TYR A 79 5.162 5.117 1.519 1.00 0.00 C ATOM 1241 CD2 TYR A 79 7.487 4.738 1.231 1.00 0.00 C ATOM 1242 CE1 TYR A 79 5.264 4.819 2.848 1.00 0.00 C ATOM 1243 CE2 TYR A 79 7.600 4.423 2.573 1.00 0.00 C ATOM 1244 CZ TYR A 79 6.477 4.475 3.376 1.00 0.00 C ATOM 1245 OH TYR A 79 6.570 4.182 4.716 1.00 0.00 O ATOM 0 H TYR A 79 7.301 3.646 -1.941 1.00 0.00 H new ATOM 0 HA TYR A 79 4.626 3.982 -1.045 1.00 0.00 H new ATOM 0 HB2 TYR A 79 7.098 5.677 -1.174 1.00 0.00 H new ATOM 0 HB3 TYR A 79 5.545 6.406 -0.817 1.00 0.00 H new ATOM 0 HD1 TYR A 79 4.198 5.383 1.111 1.00 0.00 H new ATOM 0 HD2 TYR A 79 8.364 4.713 0.601 1.00 0.00 H new ATOM 0 HE1 TYR A 79 4.389 4.855 3.480 1.00 0.00 H new ATOM 0 HE2 TYR A 79 8.556 4.139 2.989 1.00 0.00 H new ATOM 0 HH TYR A 79 5.716 3.819 5.031 1.00 0.00 H new ATOM 1255 N CYS A 80 3.746 5.728 -2.692 1.00 0.00 N ATOM 1256 CA CYS A 80 3.149 6.462 -3.754 1.00 0.00 C ATOM 1257 C CYS A 80 3.246 7.902 -3.336 1.00 0.00 C ATOM 1258 O CYS A 80 3.038 8.222 -2.154 1.00 0.00 O ATOM 1259 CB CYS A 80 1.696 6.068 -3.898 1.00 0.00 C ATOM 1260 SG CYS A 80 0.956 6.405 -5.518 1.00 0.00 S ATOM 0 H CYS A 80 3.229 5.757 -1.813 1.00 0.00 H new ATOM 0 HA CYS A 80 3.639 6.275 -4.710 1.00 0.00 H new ATOM 0 HB2 CYS A 80 1.604 5.002 -3.690 1.00 0.00 H new ATOM 0 HB3 CYS A 80 1.118 6.592 -3.137 1.00 0.00 H new ATOM 1265 N ASP A 81 3.564 8.767 -4.230 1.00 0.00 N ATOM 1266 CA ASP A 81 3.736 10.142 -3.835 1.00 0.00 C ATOM 1267 C ASP A 81 2.483 10.912 -4.107 1.00 0.00 C ATOM 1268 O ASP A 81 2.259 11.431 -5.204 1.00 0.00 O ATOM 1269 CB ASP A 81 4.946 10.814 -4.475 1.00 0.00 C ATOM 1270 CG ASP A 81 5.278 12.148 -3.808 1.00 0.00 C ATOM 1271 OD1 ASP A 81 4.693 13.185 -4.166 1.00 0.00 O ATOM 1272 OD2 ASP A 81 6.117 12.167 -2.884 1.00 0.00 O ATOM 0 H ASP A 81 3.710 8.568 -5.220 1.00 0.00 H new ATOM 0 HA ASP A 81 3.936 10.140 -2.764 1.00 0.00 H new ATOM 0 HB2 ASP A 81 5.808 10.150 -4.407 1.00 0.00 H new ATOM 0 HB3 ASP A 81 4.752 10.977 -5.535 1.00 0.00 H new ATOM 1277 N ILE A 82 1.626 10.884 -3.141 1.00 0.00 N ATOM 1278 CA ILE A 82 0.391 11.584 -3.188 1.00 0.00 C ATOM 1279 C ILE A 82 0.617 12.965 -2.614 1.00 0.00 C ATOM 1280 O ILE A 82 1.180 13.080 -1.523 1.00 0.00 O ATOM 1281 CB ILE A 82 -0.659 10.844 -2.328 1.00 0.00 C ATOM 1282 CG1 ILE A 82 -0.766 9.375 -2.770 1.00 0.00 C ATOM 1283 CG2 ILE A 82 -2.024 11.539 -2.384 1.00 0.00 C ATOM 1284 CD1 ILE A 82 -1.257 9.167 -4.190 1.00 0.00 C ATOM 0 H ILE A 82 1.771 10.361 -2.278 1.00 0.00 H new ATOM 0 HA ILE A 82 0.031 11.646 -4.215 1.00 0.00 H new ATOM 0 HB ILE A 82 -0.328 10.871 -1.290 1.00 0.00 H new ATOM 0 HG12 ILE A 82 0.214 8.908 -2.668 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -1.439 8.854 -2.089 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -2.737 10.991 -1.768 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -1.929 12.558 -2.010 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -2.378 11.563 -3.415 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -1.299 8.100 -4.408 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -2.252 9.598 -4.298 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -0.574 9.653 -4.886 1.00 0.00 H new ATOM 1494 N ALA B 108 -5.636 -3.413 12.932 1.00 0.00 N ATOM 1495 CA ALA B 108 -4.544 -3.964 13.738 1.00 0.00 C ATOM 1496 C ALA B 108 -3.786 -5.035 12.964 1.00 0.00 C ATOM 1497 O ALA B 108 -2.583 -5.215 13.140 1.00 0.00 O ATOM 1498 CB ALA B 108 -5.056 -4.517 15.042 1.00 0.00 C ATOM 0 HA ALA B 108 -3.855 -3.150 13.964 1.00 0.00 H new ATOM 0 HB1 ALA B 108 -4.223 -4.919 15.619 1.00 0.00 H new ATOM 0 HB2 ALA B 108 -5.540 -3.722 15.609 1.00 0.00 H new ATOM 0 HB3 ALA B 108 -5.776 -5.311 14.843 1.00 0.00 H new ATOM 1504 N GLU B 109 -4.494 -5.746 12.111 1.00 0.00 N ATOM 1505 CA GLU B 109 -3.878 -6.732 11.250 1.00 0.00 C ATOM 1506 C GLU B 109 -3.020 -5.994 10.222 1.00 0.00 C ATOM 1507 O GLU B 109 -1.865 -6.356 9.968 1.00 0.00 O ATOM 1508 CB GLU B 109 -4.956 -7.583 10.583 1.00 0.00 C ATOM 1509 CG GLU B 109 -4.426 -8.675 9.675 1.00 0.00 C ATOM 1510 CD GLU B 109 -5.524 -9.546 9.128 1.00 0.00 C ATOM 1511 OE1 GLU B 109 -6.623 -9.040 8.857 1.00 0.00 O ATOM 1512 OE2 GLU B 109 -5.295 -10.768 8.934 1.00 0.00 O ATOM 0 H GLU B 109 -5.504 -5.658 11.996 1.00 0.00 H new ATOM 0 HA GLU B 109 -3.243 -7.408 11.822 1.00 0.00 H new ATOM 0 HB2 GLU B 109 -5.571 -8.040 11.358 1.00 0.00 H new ATOM 0 HB3 GLU B 109 -5.608 -6.930 10.002 1.00 0.00 H new ATOM 0 HG2 GLU B 109 -3.878 -8.223 8.848 1.00 0.00 H new ATOM 0 HG3 GLU B 109 -3.717 -9.292 10.228 1.00 0.00 H new ATOM 1519 N LEU B 110 -3.590 -4.918 9.701 1.00 0.00 N ATOM 1520 CA LEU B 110 -2.924 -3.999 8.786 1.00 0.00 C ATOM 1521 C LEU B 110 -1.679 -3.398 9.420 1.00 0.00 C ATOM 1522 O LEU B 110 -0.692 -3.176 8.755 1.00 0.00 O ATOM 1523 CB LEU B 110 -3.908 -2.896 8.379 1.00 0.00 C ATOM 1524 CG LEU B 110 -4.948 -3.285 7.334 1.00 0.00 C ATOM 1525 CD1 LEU B 110 -6.014 -2.212 7.205 1.00 0.00 C ATOM 1526 CD2 LEU B 110 -4.273 -3.521 5.990 1.00 0.00 C ATOM 0 H LEU B 110 -4.553 -4.652 9.907 1.00 0.00 H new ATOM 0 HA LEU B 110 -2.606 -4.549 7.901 1.00 0.00 H new ATOM 0 HB2 LEU B 110 -4.429 -2.553 9.273 1.00 0.00 H new ATOM 0 HB3 LEU B 110 -3.337 -2.049 7.998 1.00 0.00 H new ATOM 0 HG LEU B 110 -5.432 -4.207 7.657 1.00 0.00 H new ATOM 0 HD11 LEU B 110 -6.744 -2.513 6.454 1.00 0.00 H new ATOM 0 HD12 LEU B 110 -6.514 -2.079 8.164 1.00 0.00 H new ATOM 0 HD13 LEU B 110 -5.550 -1.273 6.904 1.00 0.00 H new ATOM 0 HD21 LEU B 110 -5.023 -3.798 5.250 1.00 0.00 H new ATOM 0 HD22 LEU B 110 -3.768 -2.609 5.671 1.00 0.00 H new ATOM 0 HD23 LEU B 110 -3.543 -4.325 6.086 1.00 0.00 H new ATOM 1538 N GLN B 111 -1.740 -3.165 10.715 1.00 0.00 N ATOM 1539 CA GLN B 111 -0.627 -2.617 11.465 1.00 0.00 C ATOM 1540 C GLN B 111 0.571 -3.542 11.417 1.00 0.00 C ATOM 1541 O GLN B 111 1.719 -3.094 11.267 1.00 0.00 O ATOM 1542 CB GLN B 111 -1.024 -2.411 12.900 1.00 0.00 C ATOM 1543 CG GLN B 111 -0.019 -1.631 13.699 1.00 0.00 C ATOM 1544 CD GLN B 111 0.057 -0.158 13.328 1.00 0.00 C ATOM 1545 OE1 GLN B 111 -0.183 0.249 12.184 1.00 0.00 O ATOM 1546 NE2 GLN B 111 0.355 0.650 14.292 1.00 0.00 N ATOM 0 H GLN B 111 -2.568 -3.351 11.281 1.00 0.00 H new ATOM 0 HA GLN B 111 -0.357 -1.663 11.011 1.00 0.00 H new ATOM 0 HB2 GLN B 111 -1.982 -1.892 12.932 1.00 0.00 H new ATOM 0 HB3 GLN B 111 -1.173 -3.383 13.370 1.00 0.00 H new ATOM 0 HG2 GLN B 111 -0.266 -1.716 14.757 1.00 0.00 H new ATOM 0 HG3 GLN B 111 0.965 -2.080 13.564 1.00 0.00 H new ATOM 0 HE21 GLN B 111 0.548 0.283 15.224 1.00 0.00 H new ATOM 0 HE22 GLN B 111 0.398 1.655 14.121 1.00 0.00 H new ATOM 1555 N ARG B 112 0.314 -4.827 11.532 1.00 0.00 N ATOM 1556 CA ARG B 112 1.381 -5.794 11.508 1.00 0.00 C ATOM 1557 C ARG B 112 1.861 -5.921 10.100 1.00 0.00 C ATOM 1558 O ARG B 112 3.030 -5.957 9.870 1.00 0.00 O ATOM 1559 CB ARG B 112 0.912 -7.145 12.042 1.00 0.00 C ATOM 1560 CG ARG B 112 2.020 -8.028 12.612 1.00 0.00 C ATOM 1561 CD ARG B 112 2.959 -8.565 11.557 1.00 0.00 C ATOM 1562 NE ARG B 112 4.123 -9.238 12.147 1.00 0.00 N ATOM 1563 CZ ARG B 112 5.032 -9.990 11.493 1.00 0.00 C ATOM 1564 NH1 ARG B 112 4.902 -10.268 10.190 1.00 0.00 N ATOM 1565 NH2 ARG B 112 6.068 -10.479 12.162 1.00 0.00 N ATOM 0 H ARG B 112 -0.620 -5.221 11.642 1.00 0.00 H new ATOM 0 HA ARG B 112 2.194 -5.460 12.153 1.00 0.00 H new ATOM 0 HB2 ARG B 112 0.167 -6.974 12.819 1.00 0.00 H new ATOM 0 HB3 ARG B 112 0.414 -7.685 11.237 1.00 0.00 H new ATOM 0 HG2 ARG B 112 2.593 -7.455 13.341 1.00 0.00 H new ATOM 0 HG3 ARG B 112 1.570 -8.864 13.147 1.00 0.00 H new ATOM 0 HD2 ARG B 112 2.422 -9.265 10.916 1.00 0.00 H new ATOM 0 HD3 ARG B 112 3.297 -7.746 10.922 1.00 0.00 H new ATOM 0 HE ARG B 112 4.258 -9.126 13.152 1.00 0.00 H new ATOM 0 HH11 ARG B 112 4.102 -9.909 9.669 1.00 0.00 H new ATOM 0 HH12 ARG B 112 5.603 -10.839 9.718 1.00 0.00 H new ATOM 0 HH21 ARG B 112 6.169 -10.285 13.158 1.00 0.00 H new ATOM 0 HH22 ARG B 112 6.763 -11.049 11.680 1.00 0.00 H new ATOM 1579 N LEU B 113 0.943 -5.960 9.168 1.00 0.00 N ATOM 1580 CA LEU B 113 1.303 -6.046 7.754 1.00 0.00 C ATOM 1581 C LEU B 113 2.177 -4.854 7.341 1.00 0.00 C ATOM 1582 O LEU B 113 3.148 -5.014 6.590 1.00 0.00 O ATOM 1583 CB LEU B 113 0.057 -6.144 6.873 1.00 0.00 C ATOM 1584 CG LEU B 113 -0.828 -7.380 7.072 1.00 0.00 C ATOM 1585 CD1 LEU B 113 -2.030 -7.320 6.150 1.00 0.00 C ATOM 1586 CD2 LEU B 113 -0.037 -8.658 6.826 1.00 0.00 C ATOM 0 H LEU B 113 -0.060 -5.934 9.350 1.00 0.00 H new ATOM 0 HA LEU B 113 1.884 -6.957 7.610 1.00 0.00 H new ATOM 0 HB2 LEU B 113 -0.553 -5.257 7.045 1.00 0.00 H new ATOM 0 HB3 LEU B 113 0.374 -6.116 5.830 1.00 0.00 H new ATOM 0 HG LEU B 113 -1.177 -7.388 8.105 1.00 0.00 H new ATOM 0 HD11 LEU B 113 -2.650 -8.204 6.302 1.00 0.00 H new ATOM 0 HD12 LEU B 113 -2.613 -6.426 6.370 1.00 0.00 H new ATOM 0 HD13 LEU B 113 -1.693 -7.287 5.114 1.00 0.00 H new ATOM 0 HD21 LEU B 113 -0.686 -9.521 6.973 1.00 0.00 H new ATOM 0 HD22 LEU B 113 0.343 -8.660 5.804 1.00 0.00 H new ATOM 0 HD23 LEU B 113 0.799 -8.709 7.524 1.00 0.00 H new ATOM 1598 N LYS B 114 1.855 -3.683 7.886 1.00 0.00 N ATOM 1599 CA LYS B 114 2.606 -2.466 7.658 1.00 0.00 C ATOM 1600 C LYS B 114 4.036 -2.671 8.114 1.00 0.00 C ATOM 1601 O LYS B 114 4.989 -2.520 7.342 1.00 0.00 O ATOM 1602 CB LYS B 114 1.969 -1.316 8.471 1.00 0.00 C ATOM 1603 CG LYS B 114 2.462 0.083 8.113 1.00 0.00 C ATOM 1604 CD LYS B 114 1.748 1.168 8.924 1.00 0.00 C ATOM 1605 CE LYS B 114 2.302 1.336 10.318 1.00 0.00 C ATOM 1606 NZ LYS B 114 1.493 2.285 11.122 1.00 0.00 N ATOM 0 H LYS B 114 1.054 -3.559 8.505 1.00 0.00 H new ATOM 0 HA LYS B 114 2.592 -2.216 6.597 1.00 0.00 H new ATOM 0 HB2 LYS B 114 0.888 -1.350 8.332 1.00 0.00 H new ATOM 0 HB3 LYS B 114 2.160 -1.491 9.530 1.00 0.00 H new ATOM 0 HG2 LYS B 114 3.536 0.145 8.290 1.00 0.00 H new ATOM 0 HG3 LYS B 114 2.304 0.262 7.050 1.00 0.00 H new ATOM 0 HD2 LYS B 114 1.825 2.117 8.394 1.00 0.00 H new ATOM 0 HD3 LYS B 114 0.688 0.924 8.989 1.00 0.00 H new ATOM 0 HE2 LYS B 114 2.329 0.368 10.818 1.00 0.00 H new ATOM 0 HE3 LYS B 114 3.330 1.693 10.260 1.00 0.00 H new ATOM 0 HZ1 LYS B 114 2.108 2.775 11.803 1.00 0.00 H new ATOM 0 HZ2 LYS B 114 1.049 2.983 10.492 1.00 0.00 H new ATOM 0 HZ3 LYS B 114 0.754 1.763 11.635 1.00 0.00 H new ATOM 1620 N ASN B 115 4.160 -3.089 9.348 1.00 0.00 N ATOM 1621 CA ASN B 115 5.446 -3.261 10.007 1.00 0.00 C ATOM 1622 C ASN B 115 6.205 -4.447 9.416 1.00 0.00 C ATOM 1623 O ASN B 115 7.429 -4.437 9.333 1.00 0.00 O ATOM 1624 CB ASN B 115 5.208 -3.323 11.549 1.00 0.00 C ATOM 1625 CG ASN B 115 4.752 -4.633 12.208 1.00 0.00 C ATOM 1626 OD1 ASN B 115 5.166 -5.736 11.864 1.00 0.00 O ATOM 1627 ND2 ASN B 115 3.842 -4.496 13.159 1.00 0.00 N ATOM 0 H ASN B 115 3.363 -3.325 9.939 1.00 0.00 H new ATOM 0 HA ASN B 115 6.103 -2.410 9.827 1.00 0.00 H new ATOM 0 HB2 ASN B 115 6.139 -3.025 12.032 1.00 0.00 H new ATOM 0 HB3 ASN B 115 4.465 -2.563 11.792 1.00 0.00 H new ATOM 0 HD21 ASN B 115 3.466 -5.320 13.627 1.00 0.00 H new ATOM 0 HD22 ASN B 115 3.517 -3.566 13.424 1.00 0.00 H new ATOM 1634 N GLU B 116 5.454 -5.408 8.950 1.00 0.00 N ATOM 1635 CA GLU B 116 5.960 -6.596 8.255 1.00 0.00 C ATOM 1636 C GLU B 116 6.667 -6.179 6.991 1.00 0.00 C ATOM 1637 O GLU B 116 7.851 -6.465 6.806 1.00 0.00 O ATOM 1638 CB GLU B 116 4.805 -7.525 7.895 1.00 0.00 C ATOM 1639 CG GLU B 116 5.228 -8.728 7.099 1.00 0.00 C ATOM 1640 CD GLU B 116 4.095 -9.666 6.806 1.00 0.00 C ATOM 1641 OE1 GLU B 116 3.536 -10.252 7.765 1.00 0.00 O ATOM 1642 OE2 GLU B 116 3.737 -9.836 5.611 1.00 0.00 O ATOM 0 H GLU B 116 4.438 -5.400 9.039 1.00 0.00 H new ATOM 0 HA GLU B 116 6.654 -7.119 8.913 1.00 0.00 H new ATOM 0 HB2 GLU B 116 4.318 -7.859 8.812 1.00 0.00 H new ATOM 0 HB3 GLU B 116 4.063 -6.965 7.326 1.00 0.00 H new ATOM 0 HG2 GLU B 116 5.671 -8.397 6.159 1.00 0.00 H new ATOM 0 HG3 GLU B 116 6.004 -9.264 7.646 1.00 0.00 H new ATOM 1649 N ARG B 117 5.924 -5.506 6.125 1.00 0.00 N ATOM 1650 CA ARG B 117 6.459 -4.947 4.882 1.00 0.00 C ATOM 1651 C ARG B 117 7.655 -4.091 5.145 1.00 0.00 C ATOM 1652 O ARG B 117 8.559 -4.018 4.321 1.00 0.00 O ATOM 1653 CB ARG B 117 5.487 -4.041 4.188 1.00 0.00 C ATOM 1654 CG ARG B 117 4.308 -4.660 3.526 1.00 0.00 C ATOM 1655 CD ARG B 117 3.574 -3.560 2.792 1.00 0.00 C ATOM 1656 NE ARG B 117 3.059 -2.555 3.726 1.00 0.00 N ATOM 1657 CZ ARG B 117 3.351 -1.252 3.797 1.00 0.00 C ATOM 1658 NH1 ARG B 117 4.255 -0.699 2.991 1.00 0.00 N ATOM 1659 NH2 ARG B 117 2.700 -0.502 4.655 1.00 0.00 N ATOM 0 H ARG B 117 4.929 -5.329 6.261 1.00 0.00 H new ATOM 0 HA ARG B 117 6.692 -5.817 4.268 1.00 0.00 H new ATOM 0 HB2 ARG B 117 5.120 -3.321 4.920 1.00 0.00 H new ATOM 0 HB3 ARG B 117 6.036 -3.477 3.434 1.00 0.00 H new ATOM 0 HG2 ARG B 117 4.622 -5.441 2.833 1.00 0.00 H new ATOM 0 HG3 ARG B 117 3.657 -5.131 4.263 1.00 0.00 H new ATOM 0 HD2 ARG B 117 4.245 -3.086 2.076 1.00 0.00 H new ATOM 0 HD3 ARG B 117 2.749 -3.987 2.221 1.00 0.00 H new ATOM 0 HE ARG B 117 2.388 -2.895 4.414 1.00 0.00 H new ATOM 0 HH11 ARG B 117 4.741 -1.272 2.301 1.00 0.00 H new ATOM 0 HH12 ARG B 117 4.461 0.297 3.063 1.00 0.00 H new ATOM 0 HH21 ARG B 117 1.985 -0.915 5.254 1.00 0.00 H new ATOM 0 HH22 ARG B 117 2.909 0.494 4.723 1.00 0.00 H new ATOM 1673 N HIS B 118 7.619 -3.393 6.256 1.00 0.00 N ATOM 1674 CA HIS B 118 8.686 -2.534 6.646 1.00 0.00 C ATOM 1675 C HIS B 118 9.934 -3.316 6.956 1.00 0.00 C ATOM 1676 O HIS B 118 11.001 -2.993 6.451 1.00 0.00 O ATOM 1677 CB HIS B 118 8.250 -1.555 7.742 1.00 0.00 C ATOM 1678 CG HIS B 118 7.374 -0.463 7.198 1.00 0.00 C ATOM 1679 ND1 HIS B 118 7.529 0.031 5.926 1.00 0.00 N ATOM 1680 CD2 HIS B 118 6.265 0.137 7.686 1.00 0.00 C ATOM 1681 CE1 HIS B 118 6.556 0.857 5.653 1.00 0.00 C ATOM 1682 NE2 HIS B 118 5.785 0.951 6.692 1.00 0.00 N ATOM 0 H HIS B 118 6.838 -3.413 6.912 1.00 0.00 H new ATOM 0 HA HIS B 118 8.953 -1.901 5.800 1.00 0.00 H new ATOM 0 HB2 HIS B 118 7.714 -2.097 8.521 1.00 0.00 H new ATOM 0 HB3 HIS B 118 9.132 -1.115 8.208 1.00 0.00 H new ATOM 0 HD2 HIS B 118 5.839 0.001 8.669 1.00 0.00 H new ATOM 0 HE1 HIS B 118 6.416 1.377 4.717 1.00 0.00 H new ATOM 0 HE2 HIS B 118 4.953 1.538 6.759 1.00 0.00 H new ATOM 1691 N GLU B 119 9.788 -4.376 7.715 1.00 0.00 N ATOM 1692 CA GLU B 119 10.881 -5.280 7.952 1.00 0.00 C ATOM 1693 C GLU B 119 11.375 -5.893 6.658 1.00 0.00 C ATOM 1694 O GLU B 119 12.553 -5.879 6.396 1.00 0.00 O ATOM 1695 CB GLU B 119 10.521 -6.358 8.963 1.00 0.00 C ATOM 1696 CG GLU B 119 10.982 -6.038 10.368 1.00 0.00 C ATOM 1697 CD GLU B 119 10.382 -4.787 10.952 1.00 0.00 C ATOM 1698 OE1 GLU B 119 10.962 -3.689 10.773 1.00 0.00 O ATOM 1699 OE2 GLU B 119 9.344 -4.878 11.638 1.00 0.00 O ATOM 0 H GLU B 119 8.917 -4.632 8.180 1.00 0.00 H new ATOM 0 HA GLU B 119 11.693 -4.693 8.381 1.00 0.00 H new ATOM 0 HB2 GLU B 119 9.440 -6.498 8.966 1.00 0.00 H new ATOM 0 HB3 GLU B 119 10.964 -7.303 8.649 1.00 0.00 H new ATOM 0 HG2 GLU B 119 10.739 -6.879 11.017 1.00 0.00 H new ATOM 0 HG3 GLU B 119 12.067 -5.939 10.367 1.00 0.00 H new ATOM 1706 N GLU B 120 10.460 -6.369 5.836 1.00 0.00 N ATOM 1707 CA GLU B 120 10.798 -6.986 4.550 1.00 0.00 C ATOM 1708 C GLU B 120 11.572 -6.042 3.644 1.00 0.00 C ATOM 1709 O GLU B 120 12.540 -6.443 3.025 1.00 0.00 O ATOM 1710 CB GLU B 120 9.544 -7.474 3.828 1.00 0.00 C ATOM 1711 CG GLU B 120 8.832 -8.620 4.515 1.00 0.00 C ATOM 1712 CD GLU B 120 9.714 -9.830 4.653 1.00 0.00 C ATOM 1713 OE1 GLU B 120 9.741 -10.675 3.729 1.00 0.00 O ATOM 1714 OE2 GLU B 120 10.403 -9.954 5.674 1.00 0.00 O ATOM 0 H GLU B 120 9.459 -6.343 6.033 1.00 0.00 H new ATOM 0 HA GLU B 120 11.438 -7.839 4.776 1.00 0.00 H new ATOM 0 HB2 GLU B 120 8.850 -6.640 3.727 1.00 0.00 H new ATOM 0 HB3 GLU B 120 9.818 -7.785 2.820 1.00 0.00 H new ATOM 0 HG2 GLU B 120 8.499 -8.300 5.502 1.00 0.00 H new ATOM 0 HG3 GLU B 120 7.940 -8.885 3.948 1.00 0.00 H new ATOM 1721 N ALA B 121 11.145 -4.802 3.580 1.00 0.00 N ATOM 1722 CA ALA B 121 11.793 -3.809 2.739 1.00 0.00 C ATOM 1723 C ALA B 121 13.178 -3.473 3.256 1.00 0.00 C ATOM 1724 O ALA B 121 14.139 -3.375 2.485 1.00 0.00 O ATOM 1725 CB ALA B 121 10.950 -2.553 2.645 1.00 0.00 C ATOM 0 H ALA B 121 10.344 -4.450 4.104 1.00 0.00 H new ATOM 0 HA ALA B 121 11.896 -4.236 1.741 1.00 0.00 H new ATOM 0 HB1 ALA B 121 11.454 -1.823 2.011 1.00 0.00 H new ATOM 0 HB2 ALA B 121 9.979 -2.798 2.215 1.00 0.00 H new ATOM 0 HB3 ALA B 121 10.810 -2.133 3.641 1.00 0.00 H new