USER MOD reduce.3.24.130724 H: found=0, std=0, add=653, rem=0, adj=23 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: A 49 ASN : amide:sc=-0.00598 K(o=-0.54,f=-4.6!) USER MOD Set 1.2: A 50 LYS NZ :NH3+ -123:sc= -0.531 (180deg=-0.15) USER MOD Set 2.1: A 30 GLN : amide:sc= 0.652! C(o=-0.52!,f=-12!) USER MOD Set 2.2: A 38 HIS : no HE2:sc= -1.17 K(o=-0.52,f=-1.4!) USER MOD Set 3.1: A 23 THR OG1 : rot 118:sc= 1.62 USER MOD Set 3.2: A 25 SER OG : rot -152:sc= 2.37 USER MOD Single : A 15 ASN :FLIP amide:sc= -0.0747 F(o=-1.1,f=-0.075) USER MOD Single : A 16 TYR OH : rot 90:sc= -0.315 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 MET CE :methyl 168:sc= 0 (180deg=-0.195) USER MOD Single : A 34 SER OG : rot -105:sc= 0.928 USER MOD Single : A 35 GLN :FLIP amide:sc= 0.692 F(o=-2.2!,f=0.69) USER MOD Single : A 36 SER OG : rot 180:sc= -0.0882 USER MOD Single : A 40 HIS :FLIP no HD1:sc= -1.55! C(o=-4.8!,f=-1.5!) USER MOD Single : A 42 TYR OH : rot 167:sc= 2.21 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 171:sc= 1.11 (180deg=0.853) USER MOD Single : A 51 ASN : amide:sc= -0.452 X(o=-0.45,f=-0.028) USER MOD Single : A 53 LYS NZ :NH3+ 163:sc= 1.23 (180deg=0.802) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 ASN : amide:sc= -1.21! C(o=-1.2!,f=-4.8!) USER MOD Single : A 56 TYR OH : rot 180:sc= -0.171 USER MOD Single : A 59 ASN : amide:sc= -0.581 K(o=-0.58,f=-11!) USER MOD Single : A 70 THR OG1 : rot 106:sc= -0.119 USER MOD Single : A 71 THR OG1 : rot -92:sc= 1.26 USER MOD Single : A 74 ASN : amide:sc= 0 X(o=0,f=-0.059) USER MOD Single : A 75 LYS NZ :NH3+ 179:sc= 1.2 (180deg=1.16) USER MOD Single : A 79 TYR OH : rot 40:sc= 0.488 USER MOD Single : B 111 GLN : amide:sc= 0 X(o=0,f=-0.32) USER MOD Single : B 114 LYS NZ :NH3+ 175:sc= 1.35 (180deg=1.32) USER MOD Single : B 115 ASN : amide:sc= -3.27! C(o=-3.3!,f=-4.7!) USER MOD Single : B 118 HIS : no HE2:sc= -2.65! C(o=-2.6!,f=-5.7!) USER MOD ----------------------------------------------------------------- ATOM 179 N GLY A 13 -3.888 10.006 3.632 1.00 0.00 N ATOM 180 CA GLY A 13 -4.135 9.173 2.470 1.00 0.00 C ATOM 181 C GLY A 13 -4.813 7.875 2.826 1.00 0.00 C ATOM 182 O GLY A 13 -5.062 7.030 1.967 1.00 0.00 O ATOM 0 HA2 GLY A 13 -4.755 9.720 1.759 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -3.189 8.961 1.971 1.00 0.00 H new ATOM 186 N GLU A 14 -5.110 7.735 4.091 1.00 0.00 N ATOM 187 CA GLU A 14 -5.778 6.567 4.654 1.00 0.00 C ATOM 188 C GLU A 14 -7.218 6.401 4.150 1.00 0.00 C ATOM 189 O GLU A 14 -7.788 5.314 4.225 1.00 0.00 O ATOM 190 CB GLU A 14 -5.740 6.660 6.174 1.00 0.00 C ATOM 191 CG GLU A 14 -4.332 6.553 6.745 1.00 0.00 C ATOM 192 CD GLU A 14 -4.250 6.891 8.212 1.00 0.00 C ATOM 193 OE1 GLU A 14 -5.247 6.712 8.946 1.00 0.00 O ATOM 194 OE2 GLU A 14 -3.185 7.377 8.662 1.00 0.00 O ATOM 0 H GLU A 14 -4.891 8.447 4.788 1.00 0.00 H new ATOM 0 HA GLU A 14 -5.241 5.679 4.320 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -6.181 7.607 6.485 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -6.358 5.867 6.596 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -3.963 5.539 6.593 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -3.672 7.219 6.189 1.00 0.00 H new ATOM 201 N ASN A 15 -7.805 7.467 3.646 1.00 0.00 N ATOM 202 CA ASN A 15 -9.177 7.396 3.152 1.00 0.00 C ATOM 203 C ASN A 15 -9.204 7.726 1.646 1.00 0.00 C ATOM 204 O ASN A 15 -10.261 8.028 1.059 1.00 0.00 O ATOM 205 CB ASN A 15 -10.071 8.369 3.949 1.00 0.00 C ATOM 206 CG ASN A 15 -11.548 8.121 3.799 1.00 0.00 C ATOM 207 OD1 ASN A 15 -11.934 6.889 3.791 1.00 0.00 O flip ATOM 208 ND2 ASN A 15 -12.353 9.054 3.771 1.00 0.00 N flip ATOM 0 H ASN A 15 -7.366 8.384 3.565 1.00 0.00 H new ATOM 0 HA ASN A 15 -9.565 6.387 3.290 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -9.809 8.302 5.005 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -9.852 9.388 3.631 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -12.018 10.017 3.778 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -13.354 8.863 3.741 1.00 0.00 H new ATOM 215 N TYR A 16 -8.038 7.636 1.022 1.00 0.00 N ATOM 216 CA TYR A 16 -7.871 7.955 -0.397 1.00 0.00 C ATOM 217 C TYR A 16 -8.447 6.854 -1.297 1.00 0.00 C ATOM 218 O TYR A 16 -8.071 5.691 -1.192 1.00 0.00 O ATOM 219 CB TYR A 16 -6.384 8.205 -0.698 1.00 0.00 C ATOM 220 CG TYR A 16 -6.030 8.418 -2.160 1.00 0.00 C ATOM 221 CD1 TYR A 16 -6.283 9.625 -2.801 1.00 0.00 C ATOM 222 CD2 TYR A 16 -5.413 7.412 -2.882 1.00 0.00 C ATOM 223 CE1 TYR A 16 -5.933 9.813 -4.126 1.00 0.00 C ATOM 224 CE2 TYR A 16 -5.062 7.585 -4.200 1.00 0.00 C ATOM 225 CZ TYR A 16 -5.322 8.789 -4.821 1.00 0.00 C ATOM 226 OH TYR A 16 -4.981 8.957 -6.142 1.00 0.00 O ATOM 0 H TYR A 16 -7.177 7.340 1.482 1.00 0.00 H new ATOM 0 HA TYR A 16 -8.432 8.863 -0.617 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -6.061 9.081 -0.135 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -5.810 7.357 -0.325 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -6.759 10.427 -2.257 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -5.202 6.469 -2.399 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -6.137 10.755 -4.614 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -4.586 6.784 -4.745 1.00 0.00 H new ATOM 0 HH TYR A 16 -4.072 9.319 -6.202 1.00 0.00 H new ATOM 236 N ASP A 17 -9.340 7.243 -2.184 1.00 0.00 N ATOM 237 CA ASP A 17 -10.030 6.319 -3.092 1.00 0.00 C ATOM 238 C ASP A 17 -9.647 6.603 -4.545 1.00 0.00 C ATOM 239 O ASP A 17 -10.241 6.043 -5.472 1.00 0.00 O ATOM 240 CB ASP A 17 -11.555 6.488 -2.958 1.00 0.00 C ATOM 241 CG ASP A 17 -12.068 7.806 -3.539 1.00 0.00 C ATOM 242 OD1 ASP A 17 -11.835 8.875 -2.929 1.00 0.00 O ATOM 243 OD2 ASP A 17 -12.704 7.791 -4.622 1.00 0.00 O ATOM 0 H ASP A 17 -9.617 8.217 -2.304 1.00 0.00 H new ATOM 0 HA ASP A 17 -9.734 5.305 -2.824 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -12.052 5.659 -3.462 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -11.829 6.432 -1.905 1.00 0.00 H new ATOM 248 N GLY A 18 -8.621 7.401 -4.731 1.00 0.00 N ATOM 249 CA GLY A 18 -8.232 7.850 -6.061 1.00 0.00 C ATOM 250 C GLY A 18 -7.684 6.752 -6.967 1.00 0.00 C ATOM 251 O GLY A 18 -7.423 5.619 -6.519 1.00 0.00 O ATOM 0 H GLY A 18 -8.034 7.758 -3.977 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -9.097 8.304 -6.544 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -7.477 8.630 -5.961 1.00 0.00 H new ATOM 255 N LYS A 19 -7.470 7.106 -8.220 1.00 0.00 N ATOM 256 CA LYS A 19 -7.123 6.156 -9.268 1.00 0.00 C ATOM 257 C LYS A 19 -5.627 6.118 -9.602 1.00 0.00 C ATOM 258 O LYS A 19 -5.250 5.563 -10.642 1.00 0.00 O ATOM 259 CB LYS A 19 -7.898 6.502 -10.541 1.00 0.00 C ATOM 260 CG LYS A 19 -9.401 6.574 -10.365 1.00 0.00 C ATOM 261 CD LYS A 19 -10.101 6.829 -11.695 1.00 0.00 C ATOM 262 CE LYS A 19 -11.608 6.964 -11.516 1.00 0.00 C ATOM 263 NZ LYS A 19 -12.298 7.294 -12.790 1.00 0.00 N ATOM 0 H LYS A 19 -7.532 8.071 -8.546 1.00 0.00 H new ATOM 0 HA LYS A 19 -7.390 5.170 -8.887 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -7.543 7.462 -10.917 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -7.670 5.757 -11.303 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -9.764 5.641 -9.933 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -9.650 7.369 -9.662 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -9.704 7.738 -12.148 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -9.887 6.011 -12.383 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -12.010 6.032 -11.118 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -11.817 7.741 -10.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -13.321 7.376 -12.620 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -11.935 8.196 -13.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -12.122 6.541 -13.485 1.00 0.00 H new ATOM 277 N ILE A 20 -4.772 6.682 -8.767 1.00 0.00 N ATOM 278 CA ILE A 20 -3.351 6.635 -9.069 1.00 0.00 C ATOM 279 C ILE A 20 -2.847 5.195 -8.894 1.00 0.00 C ATOM 280 O ILE A 20 -3.260 4.495 -7.961 1.00 0.00 O ATOM 281 CB ILE A 20 -2.515 7.629 -8.211 1.00 0.00 C ATOM 282 CG1 ILE A 20 -1.101 7.784 -8.787 1.00 0.00 C ATOM 283 CG2 ILE A 20 -2.457 7.180 -6.767 1.00 0.00 C ATOM 284 CD1 ILE A 20 -0.240 8.817 -8.083 1.00 0.00 C ATOM 0 H ILE A 20 -5.023 7.162 -7.903 1.00 0.00 H new ATOM 0 HA ILE A 20 -3.218 6.951 -10.104 1.00 0.00 H new ATOM 0 HB ILE A 20 -3.007 8.601 -8.243 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -0.597 6.819 -8.742 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -1.180 8.053 -9.840 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -1.867 7.891 -6.188 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -3.467 7.131 -6.360 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -1.995 6.195 -6.711 1.00 0.00 H new ATOM 0 HD11 ILE A 20 0.741 8.858 -8.557 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -0.717 9.795 -8.150 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -0.125 8.541 -7.035 1.00 0.00 H new ATOM 296 N SER A 21 -2.019 4.751 -9.793 1.00 0.00 N ATOM 297 CA SER A 21 -1.567 3.387 -9.768 1.00 0.00 C ATOM 298 C SER A 21 -0.067 3.267 -10.021 1.00 0.00 C ATOM 299 O SER A 21 0.458 2.164 -10.253 1.00 0.00 O ATOM 300 CB SER A 21 -2.363 2.609 -10.796 1.00 0.00 C ATOM 301 OG SER A 21 -2.384 3.295 -12.048 1.00 0.00 O ATOM 0 H SER A 21 -1.641 5.313 -10.555 1.00 0.00 H new ATOM 0 HA SER A 21 -1.732 2.975 -8.773 1.00 0.00 H new ATOM 0 HB2 SER A 21 -1.927 1.619 -10.926 1.00 0.00 H new ATOM 0 HB3 SER A 21 -3.383 2.464 -10.439 1.00 0.00 H new ATOM 0 HG SER A 21 -2.902 2.775 -12.697 1.00 0.00 H new ATOM 307 N LYS A 22 0.622 4.383 -9.978 1.00 0.00 N ATOM 308 CA LYS A 22 2.050 4.390 -10.192 1.00 0.00 C ATOM 309 C LYS A 22 2.738 5.092 -9.049 1.00 0.00 C ATOM 310 O LYS A 22 2.280 6.142 -8.593 1.00 0.00 O ATOM 311 CB LYS A 22 2.425 4.933 -11.579 1.00 0.00 C ATOM 312 CG LYS A 22 1.836 4.061 -12.682 1.00 0.00 C ATOM 313 CD LYS A 22 2.313 4.409 -14.064 1.00 0.00 C ATOM 314 CE LYS A 22 1.682 3.453 -15.072 1.00 0.00 C ATOM 315 NZ LYS A 22 2.161 3.671 -16.442 1.00 0.00 N ATOM 0 H LYS A 22 0.215 5.301 -9.796 1.00 0.00 H new ATOM 0 HA LYS A 22 2.414 3.363 -10.196 1.00 0.00 H new ATOM 0 HB2 LYS A 22 2.061 5.955 -11.684 1.00 0.00 H new ATOM 0 HB3 LYS A 22 3.510 4.969 -11.679 1.00 0.00 H new ATOM 0 HG2 LYS A 22 2.082 3.019 -12.476 1.00 0.00 H new ATOM 0 HG3 LYS A 22 0.749 4.143 -12.653 1.00 0.00 H new ATOM 0 HD2 LYS A 22 2.046 5.438 -14.305 1.00 0.00 H new ATOM 0 HD3 LYS A 22 3.400 4.342 -14.113 1.00 0.00 H new ATOM 0 HE2 LYS A 22 1.898 2.426 -14.776 1.00 0.00 H new ATOM 0 HE3 LYS A 22 0.599 3.571 -15.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 1.699 2.995 -17.083 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 1.933 4.641 -16.739 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 3.191 3.532 -16.476 1.00 0.00 H new ATOM 329 N THR A 23 3.852 4.537 -8.616 1.00 0.00 N ATOM 330 CA THR A 23 4.451 4.895 -7.351 1.00 0.00 C ATOM 331 C THR A 23 5.229 6.199 -7.429 1.00 0.00 C ATOM 332 O THR A 23 5.214 6.876 -8.449 1.00 0.00 O ATOM 333 CB THR A 23 5.366 3.747 -6.898 1.00 0.00 C ATOM 334 OG1 THR A 23 6.380 3.533 -7.896 1.00 0.00 O ATOM 335 CG2 THR A 23 4.546 2.467 -6.728 1.00 0.00 C ATOM 0 H THR A 23 4.366 3.824 -9.134 1.00 0.00 H new ATOM 0 HA THR A 23 3.654 5.053 -6.624 1.00 0.00 H new ATOM 0 HB THR A 23 5.829 4.006 -5.946 1.00 0.00 H new ATOM 0 HG1 THR A 23 7.263 3.708 -7.508 1.00 0.00 H new ATOM 0 HG21 THR A 23 5.200 1.656 -6.407 1.00 0.00 H new ATOM 0 HG22 THR A 23 3.772 2.628 -5.978 1.00 0.00 H new ATOM 0 HG23 THR A 23 4.081 2.204 -7.678 1.00 0.00 H new ATOM 343 N MET A 24 5.922 6.550 -6.357 1.00 0.00 N ATOM 344 CA MET A 24 6.731 7.737 -6.333 1.00 0.00 C ATOM 345 C MET A 24 7.905 7.585 -7.292 1.00 0.00 C ATOM 346 O MET A 24 8.384 8.554 -7.861 1.00 0.00 O ATOM 347 CB MET A 24 7.160 8.093 -4.882 1.00 0.00 C ATOM 348 CG MET A 24 8.115 7.142 -4.169 1.00 0.00 C ATOM 349 SD MET A 24 9.812 7.281 -4.738 1.00 0.00 S ATOM 350 CE MET A 24 10.602 6.122 -3.643 1.00 0.00 C ATOM 0 H MET A 24 5.933 6.016 -5.488 1.00 0.00 H new ATOM 0 HA MET A 24 6.143 8.585 -6.683 1.00 0.00 H new ATOM 0 HB2 MET A 24 7.623 9.080 -4.902 1.00 0.00 H new ATOM 0 HB3 MET A 24 6.257 8.177 -4.277 1.00 0.00 H new ATOM 0 HG2 MET A 24 8.081 7.340 -3.098 1.00 0.00 H new ATOM 0 HG3 MET A 24 7.773 6.117 -4.315 1.00 0.00 H new ATOM 0 HE1 MET A 24 11.615 5.923 -3.993 1.00 0.00 H new ATOM 0 HE2 MET A 24 10.641 6.540 -2.637 1.00 0.00 H new ATOM 0 HE3 MET A 24 10.034 5.192 -3.627 1.00 0.00 H new ATOM 360 N SER A 25 8.306 6.343 -7.508 1.00 0.00 N ATOM 361 CA SER A 25 9.340 5.999 -8.432 1.00 0.00 C ATOM 362 C SER A 25 8.748 5.785 -9.838 1.00 0.00 C ATOM 363 O SER A 25 9.464 5.541 -10.809 1.00 0.00 O ATOM 364 CB SER A 25 10.019 4.752 -7.901 1.00 0.00 C ATOM 365 OG SER A 25 9.040 3.892 -7.295 1.00 0.00 O ATOM 0 H SER A 25 7.904 5.538 -7.028 1.00 0.00 H new ATOM 0 HA SER A 25 10.073 6.800 -8.526 1.00 0.00 H new ATOM 0 HB2 SER A 25 10.526 4.228 -8.712 1.00 0.00 H new ATOM 0 HB3 SER A 25 10.781 5.024 -7.171 1.00 0.00 H new ATOM 0 HG SER A 25 9.467 3.351 -6.598 1.00 0.00 H new ATOM 371 N GLY A 26 7.425 5.895 -9.916 1.00 0.00 N ATOM 372 CA GLY A 26 6.699 5.761 -11.157 1.00 0.00 C ATOM 373 C GLY A 26 6.570 4.344 -11.608 1.00 0.00 C ATOM 374 O GLY A 26 6.371 4.071 -12.795 1.00 0.00 O ATOM 0 H GLY A 26 6.830 6.081 -9.109 1.00 0.00 H new ATOM 0 HA2 GLY A 26 5.704 6.190 -11.038 1.00 0.00 H new ATOM 0 HA3 GLY A 26 7.204 6.338 -11.931 1.00 0.00 H new ATOM 378 N LEU A 27 6.676 3.439 -10.687 1.00 0.00 N ATOM 379 CA LEU A 27 6.522 2.063 -10.986 1.00 0.00 C ATOM 380 C LEU A 27 5.080 1.732 -10.972 1.00 0.00 C ATOM 381 O LEU A 27 4.296 2.382 -10.299 1.00 0.00 O ATOM 382 CB LEU A 27 7.251 1.203 -9.988 1.00 0.00 C ATOM 383 CG LEU A 27 8.782 1.256 -10.041 1.00 0.00 C ATOM 384 CD1 LEU A 27 9.391 0.517 -8.866 1.00 0.00 C ATOM 385 CD2 LEU A 27 9.269 0.634 -11.332 1.00 0.00 C ATOM 0 H LEU A 27 6.872 3.641 -9.707 1.00 0.00 H new ATOM 0 HA LEU A 27 6.947 1.866 -11.970 1.00 0.00 H new ATOM 0 HB2 LEU A 27 6.932 1.494 -8.987 1.00 0.00 H new ATOM 0 HB3 LEU A 27 6.939 0.169 -10.134 1.00 0.00 H new ATOM 0 HG LEU A 27 9.090 2.300 -9.993 1.00 0.00 H new ATOM 0 HD11 LEU A 27 10.478 0.569 -8.927 1.00 0.00 H new ATOM 0 HD12 LEU A 27 9.057 0.976 -7.935 1.00 0.00 H new ATOM 0 HD13 LEU A 27 9.076 -0.526 -8.890 1.00 0.00 H new ATOM 0 HD21 LEU A 27 10.358 0.673 -11.367 1.00 0.00 H new ATOM 0 HD22 LEU A 27 8.941 -0.404 -11.382 1.00 0.00 H new ATOM 0 HD23 LEU A 27 8.859 1.185 -12.179 1.00 0.00 H new ATOM 397 N GLU A 28 4.738 0.732 -11.678 1.00 0.00 N ATOM 398 CA GLU A 28 3.369 0.349 -11.813 1.00 0.00 C ATOM 399 C GLU A 28 2.997 -0.537 -10.640 1.00 0.00 C ATOM 400 O GLU A 28 3.713 -1.509 -10.326 1.00 0.00 O ATOM 401 CB GLU A 28 3.164 -0.364 -13.137 1.00 0.00 C ATOM 402 CG GLU A 28 1.721 -0.644 -13.490 1.00 0.00 C ATOM 403 CD GLU A 28 1.616 -1.394 -14.780 1.00 0.00 C ATOM 404 OE1 GLU A 28 1.883 -2.600 -14.777 1.00 0.00 O ATOM 405 OE2 GLU A 28 1.258 -0.801 -15.827 1.00 0.00 O ATOM 0 H GLU A 28 5.395 0.142 -12.189 1.00 0.00 H new ATOM 0 HA GLU A 28 2.723 1.227 -11.808 1.00 0.00 H new ATOM 0 HB2 GLU A 28 3.607 0.238 -13.930 1.00 0.00 H new ATOM 0 HB3 GLU A 28 3.707 -1.309 -13.113 1.00 0.00 H new ATOM 0 HG2 GLU A 28 1.254 -1.221 -12.692 1.00 0.00 H new ATOM 0 HG3 GLU A 28 1.174 0.295 -13.567 1.00 0.00 H new ATOM 412 N CYS A 29 1.938 -0.188 -9.977 1.00 0.00 N ATOM 413 CA CYS A 29 1.495 -0.913 -8.821 1.00 0.00 C ATOM 414 C CYS A 29 0.854 -2.235 -9.166 1.00 0.00 C ATOM 415 O CYS A 29 0.250 -2.412 -10.248 1.00 0.00 O ATOM 416 CB CYS A 29 0.558 -0.064 -7.960 1.00 0.00 C ATOM 417 SG CYS A 29 -0.201 -0.947 -6.557 1.00 0.00 S ATOM 0 H CYS A 29 1.353 0.611 -10.221 1.00 0.00 H new ATOM 0 HA CYS A 29 2.390 -1.140 -8.242 1.00 0.00 H new ATOM 0 HB2 CYS A 29 1.115 0.790 -7.575 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -0.235 0.332 -8.594 1.00 0.00 H new ATOM 422 N GLN A 30 1.009 -3.147 -8.252 1.00 0.00 N ATOM 423 CA GLN A 30 0.430 -4.455 -8.294 1.00 0.00 C ATOM 424 C GLN A 30 -0.909 -4.392 -7.611 1.00 0.00 C ATOM 425 O GLN A 30 -1.019 -3.847 -6.517 1.00 0.00 O ATOM 426 CB GLN A 30 1.307 -5.457 -7.550 1.00 0.00 C ATOM 427 CG GLN A 30 0.664 -6.828 -7.414 1.00 0.00 C ATOM 428 CD GLN A 30 1.445 -7.771 -6.546 1.00 0.00 C ATOM 429 OE1 GLN A 30 2.668 -7.701 -6.466 1.00 0.00 O ATOM 430 NE2 GLN A 30 0.750 -8.669 -5.887 1.00 0.00 N ATOM 0 H GLN A 30 1.571 -2.989 -7.416 1.00 0.00 H new ATOM 0 HA GLN A 30 0.334 -4.775 -9.332 1.00 0.00 H new ATOM 0 HB2 GLN A 30 2.257 -5.559 -8.074 1.00 0.00 H new ATOM 0 HB3 GLN A 30 1.531 -5.067 -6.557 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -0.338 -6.711 -7.001 1.00 0.00 H new ATOM 0 HG3 GLN A 30 0.551 -7.268 -8.405 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -0.265 -8.696 -5.979 1.00 0.00 H new ATOM 0 HE22 GLN A 30 1.226 -9.340 -5.283 1.00 0.00 H new ATOM 439 N ALA A 31 -1.906 -4.938 -8.246 1.00 0.00 N ATOM 440 CA ALA A 31 -3.229 -4.962 -7.704 1.00 0.00 C ATOM 441 C ALA A 31 -3.264 -5.668 -6.363 1.00 0.00 C ATOM 442 O ALA A 31 -2.684 -6.745 -6.194 1.00 0.00 O ATOM 443 CB ALA A 31 -4.182 -5.631 -8.674 1.00 0.00 C ATOM 0 H ALA A 31 -1.820 -5.381 -9.161 1.00 0.00 H new ATOM 0 HA ALA A 31 -3.546 -3.931 -7.548 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -5.186 -5.642 -8.249 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -4.192 -5.078 -9.613 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -3.855 -6.654 -8.859 1.00 0.00 H new ATOM 449 N TRP A 32 -3.959 -5.059 -5.417 1.00 0.00 N ATOM 450 CA TRP A 32 -4.161 -5.610 -4.084 1.00 0.00 C ATOM 451 C TRP A 32 -4.954 -6.895 -4.219 1.00 0.00 C ATOM 452 O TRP A 32 -4.820 -7.838 -3.434 1.00 0.00 O ATOM 453 CB TRP A 32 -5.001 -4.642 -3.252 1.00 0.00 C ATOM 454 CG TRP A 32 -4.495 -3.233 -3.191 1.00 0.00 C ATOM 455 CD1 TRP A 32 -4.997 -2.154 -3.855 1.00 0.00 C ATOM 456 CD2 TRP A 32 -3.409 -2.748 -2.416 1.00 0.00 C ATOM 457 NE1 TRP A 32 -4.286 -1.036 -3.530 1.00 0.00 N ATOM 458 CE2 TRP A 32 -3.308 -1.368 -2.662 1.00 0.00 C ATOM 459 CE3 TRP A 32 -2.514 -3.337 -1.542 1.00 0.00 C ATOM 460 CZ2 TRP A 32 -2.348 -0.572 -2.066 1.00 0.00 C ATOM 461 CZ3 TRP A 32 -1.565 -2.544 -0.952 1.00 0.00 C ATOM 462 CH2 TRP A 32 -1.488 -1.175 -1.215 1.00 0.00 C ATOM 0 H TRP A 32 -4.407 -4.153 -5.554 1.00 0.00 H new ATOM 0 HA TRP A 32 -3.195 -5.780 -3.609 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -6.013 -4.628 -3.656 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -5.068 -5.029 -2.235 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -5.834 -2.180 -4.537 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -4.465 -0.097 -3.887 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -2.562 -4.395 -1.330 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -2.288 0.487 -2.271 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -0.859 -2.989 -0.266 1.00 0.00 H new ATOM 0 HH2 TRP A 32 -0.725 -0.585 -0.728 1.00 0.00 H new ATOM 473 N ASP A 33 -5.719 -6.904 -5.286 1.00 0.00 N ATOM 474 CA ASP A 33 -6.680 -7.916 -5.662 1.00 0.00 C ATOM 475 C ASP A 33 -5.954 -9.081 -6.376 1.00 0.00 C ATOM 476 O ASP A 33 -6.547 -10.111 -6.703 1.00 0.00 O ATOM 477 CB ASP A 33 -7.651 -7.200 -6.619 1.00 0.00 C ATOM 478 CG ASP A 33 -8.981 -7.867 -6.867 1.00 0.00 C ATOM 479 OD1 ASP A 33 -9.096 -8.651 -7.827 1.00 0.00 O ATOM 480 OD2 ASP A 33 -9.976 -7.487 -6.185 1.00 0.00 O ATOM 0 H ASP A 33 -5.683 -6.145 -5.967 1.00 0.00 H new ATOM 0 HA ASP A 33 -7.203 -8.344 -4.807 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -7.841 -6.201 -6.225 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -7.150 -7.074 -7.579 1.00 0.00 H new ATOM 485 N SER A 34 -4.655 -8.906 -6.583 1.00 0.00 N ATOM 486 CA SER A 34 -3.825 -9.866 -7.265 1.00 0.00 C ATOM 487 C SER A 34 -2.714 -10.339 -6.331 1.00 0.00 C ATOM 488 O SER A 34 -2.020 -9.531 -5.716 1.00 0.00 O ATOM 489 CB SER A 34 -3.217 -9.204 -8.504 1.00 0.00 C ATOM 490 OG SER A 34 -2.371 -10.094 -9.222 1.00 0.00 O ATOM 0 H SER A 34 -4.149 -8.076 -6.273 1.00 0.00 H new ATOM 0 HA SER A 34 -4.423 -10.726 -7.566 1.00 0.00 H new ATOM 0 HB2 SER A 34 -4.016 -8.856 -9.158 1.00 0.00 H new ATOM 0 HB3 SER A 34 -2.647 -8.325 -8.203 1.00 0.00 H new ATOM 0 HG SER A 34 -1.434 -9.853 -9.064 1.00 0.00 H new ATOM 496 N GLN A 35 -2.516 -11.630 -6.248 1.00 0.00 N ATOM 497 CA GLN A 35 -1.498 -12.201 -5.377 1.00 0.00 C ATOM 498 C GLN A 35 -0.191 -12.412 -6.172 1.00 0.00 C ATOM 499 O GLN A 35 0.744 -13.065 -5.712 1.00 0.00 O ATOM 500 CB GLN A 35 -1.998 -13.543 -4.808 1.00 0.00 C ATOM 501 CG GLN A 35 -1.219 -14.069 -3.629 1.00 0.00 C ATOM 502 CD GLN A 35 -1.592 -13.321 -2.383 1.00 0.00 C ATOM 503 OE1 GLN A 35 -0.971 -12.216 -2.155 1.00 0.00 O flip ATOM 504 NE2 GLN A 35 -2.487 -13.718 -1.657 1.00 0.00 N flip ATOM 0 H GLN A 35 -3.049 -12.320 -6.777 1.00 0.00 H new ATOM 0 HA GLN A 35 -1.301 -11.517 -4.551 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -3.041 -13.428 -4.512 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -1.972 -14.289 -5.603 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -1.420 -15.132 -3.497 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -0.150 -13.967 -3.816 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -2.960 -14.598 -1.865 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -2.763 -13.171 -0.842 1.00 0.00 H new ATOM 513 N SER A 36 -0.119 -11.803 -7.319 1.00 0.00 N ATOM 514 CA SER A 36 0.981 -11.954 -8.198 1.00 0.00 C ATOM 515 C SER A 36 1.331 -10.570 -8.724 1.00 0.00 C ATOM 516 O SER A 36 0.433 -9.794 -9.072 1.00 0.00 O ATOM 517 CB SER A 36 0.602 -12.917 -9.345 1.00 0.00 C ATOM 518 OG SER A 36 1.705 -13.183 -10.211 1.00 0.00 O ATOM 0 H SER A 36 -0.844 -11.176 -7.668 1.00 0.00 H new ATOM 0 HA SER A 36 1.844 -12.382 -7.689 1.00 0.00 H new ATOM 0 HB2 SER A 36 0.238 -13.854 -8.925 1.00 0.00 H new ATOM 0 HB3 SER A 36 -0.216 -12.487 -9.923 1.00 0.00 H new ATOM 0 HG SER A 36 1.423 -13.797 -10.921 1.00 0.00 H new ATOM 524 N PRO A 37 2.620 -10.210 -8.722 1.00 0.00 N ATOM 525 CA PRO A 37 3.712 -11.172 -8.447 1.00 0.00 C ATOM 526 C PRO A 37 3.945 -11.369 -6.946 1.00 0.00 C ATOM 527 O PRO A 37 4.250 -12.467 -6.490 1.00 0.00 O ATOM 528 CB PRO A 37 4.937 -10.477 -9.060 1.00 0.00 C ATOM 529 CG PRO A 37 4.573 -9.046 -8.977 1.00 0.00 C ATOM 530 CD PRO A 37 3.153 -9.015 -9.399 1.00 0.00 C ATOM 0 HA PRO A 37 3.496 -12.162 -8.849 1.00 0.00 H new ATOM 0 HB2 PRO A 37 5.848 -10.696 -8.503 1.00 0.00 H new ATOM 0 HB3 PRO A 37 5.109 -10.792 -10.089 1.00 0.00 H new ATOM 0 HG2 PRO A 37 4.698 -8.660 -7.965 1.00 0.00 H new ATOM 0 HG3 PRO A 37 5.197 -8.436 -9.630 1.00 0.00 H new ATOM 0 HD2 PRO A 37 2.649 -8.103 -9.078 1.00 0.00 H new ATOM 0 HD3 PRO A 37 3.045 -9.075 -10.482 1.00 0.00 H new ATOM 538 N HIS A 38 3.756 -10.313 -6.192 1.00 0.00 N ATOM 539 CA HIS A 38 4.074 -10.305 -4.773 1.00 0.00 C ATOM 540 C HIS A 38 3.015 -10.927 -3.905 1.00 0.00 C ATOM 541 O HIS A 38 1.803 -10.564 -3.983 1.00 0.00 O ATOM 542 CB HIS A 38 4.365 -8.896 -4.274 1.00 0.00 C ATOM 543 CG HIS A 38 5.665 -8.352 -4.721 1.00 0.00 C ATOM 544 ND1 HIS A 38 5.807 -7.516 -5.801 1.00 0.00 N ATOM 545 CD2 HIS A 38 6.904 -8.539 -4.228 1.00 0.00 C ATOM 546 CE1 HIS A 38 7.077 -7.228 -5.952 1.00 0.00 C ATOM 547 NE2 HIS A 38 7.759 -7.833 -5.010 1.00 0.00 N ATOM 0 H HIS A 38 3.378 -9.432 -6.539 1.00 0.00 H new ATOM 0 HA HIS A 38 4.968 -10.923 -4.686 1.00 0.00 H new ATOM 0 HB2 HIS A 38 3.570 -8.231 -4.612 1.00 0.00 H new ATOM 0 HB3 HIS A 38 4.339 -8.896 -3.184 1.00 0.00 H new ATOM 0 HD1 HIS A 38 5.048 -7.174 -6.390 1.00 0.00 H new ATOM 0 HD2 HIS A 38 7.168 -9.139 -3.370 1.00 0.00 H new ATOM 0 HE1 HIS A 38 7.492 -6.597 -6.724 1.00 0.00 H new ATOM 556 N ALA A 39 3.465 -11.806 -3.040 1.00 0.00 N ATOM 557 CA ALA A 39 2.623 -12.439 -2.071 1.00 0.00 C ATOM 558 C ALA A 39 2.402 -11.430 -0.979 1.00 0.00 C ATOM 559 O ALA A 39 3.347 -10.772 -0.541 1.00 0.00 O ATOM 560 CB ALA A 39 3.287 -13.697 -1.524 1.00 0.00 C ATOM 0 H ALA A 39 4.441 -12.101 -2.995 1.00 0.00 H new ATOM 0 HA ALA A 39 1.676 -12.750 -2.512 1.00 0.00 H new ATOM 0 HB1 ALA A 39 2.632 -14.164 -0.789 1.00 0.00 H new ATOM 0 HB2 ALA A 39 3.472 -14.395 -2.340 1.00 0.00 H new ATOM 0 HB3 ALA A 39 4.233 -13.433 -1.051 1.00 0.00 H new ATOM 566 N HIS A 40 1.181 -11.256 -0.573 1.00 0.00 N ATOM 567 CA HIS A 40 0.871 -10.227 0.392 1.00 0.00 C ATOM 568 C HIS A 40 -0.485 -10.500 1.003 1.00 0.00 C ATOM 569 O HIS A 40 -1.395 -10.937 0.295 1.00 0.00 O ATOM 570 CB HIS A 40 0.898 -8.819 -0.281 1.00 0.00 C ATOM 571 CG HIS A 40 -0.254 -8.527 -1.212 1.00 0.00 C ATOM 572 ND1 HIS A 40 -1.407 -7.888 -0.973 1.00 0.00 N flip ATOM 573 CD2 HIS A 40 -0.331 -8.957 -2.505 1.00 0.00 C flip ATOM 574 CE1 HIS A 40 -2.163 -7.943 -2.090 1.00 0.00 C flip ATOM 575 NE2 HIS A 40 -1.502 -8.590 -2.999 1.00 0.00 N flip ATOM 0 H HIS A 40 0.382 -11.806 -0.888 1.00 0.00 H new ATOM 0 HA HIS A 40 1.624 -10.237 1.180 1.00 0.00 H new ATOM 0 HB2 HIS A 40 0.912 -8.061 0.502 1.00 0.00 H new ATOM 0 HB3 HIS A 40 1.829 -8.719 -0.839 1.00 0.00 H new ATOM 0 HD2 HIS A 40 0.434 -9.504 -3.035 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -3.150 -7.520 -2.207 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -1.832 -8.785 -3.944 1.00 0.00 H new ATOM 584 N GLY A 41 -0.644 -10.175 2.257 1.00 0.00 N ATOM 585 CA GLY A 41 -1.881 -10.452 2.936 1.00 0.00 C ATOM 586 C GLY A 41 -2.854 -9.299 2.912 1.00 0.00 C ATOM 587 O GLY A 41 -3.676 -9.163 3.803 1.00 0.00 O ATOM 0 H GLY A 41 0.066 -9.719 2.829 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -2.350 -11.322 2.478 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -1.666 -10.714 3.972 1.00 0.00 H new ATOM 591 N TYR A 42 -2.800 -8.482 1.897 1.00 0.00 N ATOM 592 CA TYR A 42 -3.732 -7.387 1.823 1.00 0.00 C ATOM 593 C TYR A 42 -4.782 -7.776 0.846 1.00 0.00 C ATOM 594 O TYR A 42 -4.695 -7.461 -0.339 1.00 0.00 O ATOM 595 CB TYR A 42 -3.097 -6.023 1.445 1.00 0.00 C ATOM 596 CG TYR A 42 -2.067 -5.473 2.414 1.00 0.00 C ATOM 597 CD1 TYR A 42 -0.856 -6.116 2.638 1.00 0.00 C ATOM 598 CD2 TYR A 42 -2.312 -4.289 3.094 1.00 0.00 C ATOM 599 CE1 TYR A 42 0.075 -5.593 3.508 1.00 0.00 C ATOM 600 CE2 TYR A 42 -1.384 -3.759 3.959 1.00 0.00 C ATOM 601 CZ TYR A 42 -0.194 -4.411 4.162 1.00 0.00 C ATOM 602 OH TYR A 42 0.734 -3.882 5.017 1.00 0.00 O ATOM 0 H TYR A 42 -2.137 -8.548 1.125 1.00 0.00 H new ATOM 0 HA TYR A 42 -4.142 -7.219 2.819 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -2.628 -6.123 0.466 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -3.897 -5.289 1.342 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -0.641 -7.040 2.122 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -3.249 -3.774 2.941 1.00 0.00 H new ATOM 0 HE1 TYR A 42 1.010 -6.107 3.676 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -1.591 -2.834 4.476 1.00 0.00 H new ATOM 0 HH TYR A 42 0.494 -2.956 5.228 1.00 0.00 H new ATOM 612 N ILE A 43 -5.659 -8.617 1.309 1.00 0.00 N ATOM 613 CA ILE A 43 -6.756 -9.091 0.513 1.00 0.00 C ATOM 614 C ILE A 43 -7.898 -8.074 0.608 1.00 0.00 C ATOM 615 O ILE A 43 -8.340 -7.751 1.708 1.00 0.00 O ATOM 616 CB ILE A 43 -7.247 -10.466 1.043 1.00 0.00 C ATOM 617 CG1 ILE A 43 -6.059 -11.438 1.247 1.00 0.00 C ATOM 618 CG2 ILE A 43 -8.287 -11.079 0.100 1.00 0.00 C ATOM 619 CD1 ILE A 43 -5.284 -11.796 -0.016 1.00 0.00 C ATOM 0 H ILE A 43 -5.635 -8.997 2.255 1.00 0.00 H new ATOM 0 HA ILE A 43 -6.435 -9.208 -0.522 1.00 0.00 H new ATOM 0 HB ILE A 43 -7.721 -10.299 2.010 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -5.368 -10.995 1.964 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -6.436 -12.357 1.694 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -8.614 -12.041 0.495 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -9.144 -10.410 0.019 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -7.844 -11.223 -0.886 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -4.474 -12.481 0.236 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -5.954 -12.274 -0.731 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -4.869 -10.890 -0.457 1.00 0.00 H new ATOM 631 N PRO A 44 -8.400 -7.570 -0.532 1.00 0.00 N ATOM 632 CA PRO A 44 -9.473 -6.550 -0.561 1.00 0.00 C ATOM 633 C PRO A 44 -10.766 -7.015 0.099 1.00 0.00 C ATOM 634 O PRO A 44 -11.521 -6.214 0.637 1.00 0.00 O ATOM 635 CB PRO A 44 -9.718 -6.323 -2.044 1.00 0.00 C ATOM 636 CG PRO A 44 -8.489 -6.795 -2.725 1.00 0.00 C ATOM 637 CD PRO A 44 -7.951 -7.917 -1.893 1.00 0.00 C ATOM 0 HA PRO A 44 -9.173 -5.659 -0.009 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -10.593 -6.875 -2.386 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -9.903 -5.270 -2.254 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -8.711 -7.133 -3.737 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -7.759 -5.990 -2.811 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -8.345 -8.881 -2.214 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -6.865 -7.980 -1.955 1.00 0.00 H new ATOM 645 N SER A 45 -11.005 -8.300 0.049 1.00 0.00 N ATOM 646 CA SER A 45 -12.188 -8.883 0.629 1.00 0.00 C ATOM 647 C SER A 45 -12.082 -8.934 2.158 1.00 0.00 C ATOM 648 O SER A 45 -13.092 -8.849 2.862 1.00 0.00 O ATOM 649 CB SER A 45 -12.377 -10.280 0.057 1.00 0.00 C ATOM 650 OG SER A 45 -12.330 -10.236 -1.365 1.00 0.00 O ATOM 0 H SER A 45 -10.383 -8.974 -0.397 1.00 0.00 H new ATOM 0 HA SER A 45 -13.052 -8.266 0.382 1.00 0.00 H new ATOM 0 HB2 SER A 45 -11.599 -10.944 0.434 1.00 0.00 H new ATOM 0 HB3 SER A 45 -13.333 -10.690 0.385 1.00 0.00 H new ATOM 0 HG SER A 45 -12.451 -11.140 -1.724 1.00 0.00 H new ATOM 656 N LYS A 46 -10.854 -9.038 2.664 1.00 0.00 N ATOM 657 CA LYS A 46 -10.561 -9.131 4.001 1.00 0.00 C ATOM 658 C LYS A 46 -10.555 -7.719 4.618 1.00 0.00 C ATOM 659 O LYS A 46 -10.748 -7.553 5.826 1.00 0.00 O ATOM 660 CB LYS A 46 -9.200 -9.729 3.957 1.00 0.00 C ATOM 661 CG LYS A 46 -8.557 -10.032 5.205 1.00 0.00 C ATOM 662 CD LYS A 46 -9.248 -11.171 5.953 1.00 0.00 C ATOM 663 CE LYS A 46 -8.397 -11.710 7.110 1.00 0.00 C ATOM 664 NZ LYS A 46 -8.046 -10.683 8.109 1.00 0.00 N ATOM 0 H LYS A 46 -10.022 -9.056 2.074 1.00 0.00 H new ATOM 0 HA LYS A 46 -11.263 -9.710 4.602 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -9.259 -10.651 3.379 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -8.553 -9.047 3.405 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -7.517 -10.301 5.019 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -8.549 -9.141 5.832 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -10.204 -10.820 6.341 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -9.465 -11.981 5.257 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -8.939 -12.516 7.604 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -7.481 -12.142 6.707 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -7.605 -11.138 8.934 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -7.378 -10.005 7.690 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -8.907 -10.182 8.408 1.00 0.00 H new ATOM 678 N PHE A 47 -10.346 -6.713 3.766 1.00 0.00 N ATOM 679 CA PHE A 47 -10.345 -5.308 4.185 1.00 0.00 C ATOM 680 C PHE A 47 -11.239 -4.479 3.233 1.00 0.00 C ATOM 681 O PHE A 47 -10.737 -3.686 2.426 1.00 0.00 O ATOM 682 CB PHE A 47 -8.915 -4.730 4.176 1.00 0.00 C ATOM 683 CG PHE A 47 -7.912 -5.564 4.914 1.00 0.00 C ATOM 684 CD1 PHE A 47 -7.918 -5.624 6.292 1.00 0.00 C ATOM 685 CD2 PHE A 47 -6.974 -6.311 4.222 1.00 0.00 C ATOM 686 CE1 PHE A 47 -7.005 -6.406 6.963 1.00 0.00 C ATOM 687 CE2 PHE A 47 -6.064 -7.093 4.891 1.00 0.00 C ATOM 688 CZ PHE A 47 -6.080 -7.137 6.260 1.00 0.00 C ATOM 0 H PHE A 47 -10.173 -6.847 2.770 1.00 0.00 H new ATOM 0 HA PHE A 47 -10.735 -5.255 5.201 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -8.587 -4.617 3.143 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -8.935 -3.733 4.615 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -8.645 -5.052 6.849 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -6.957 -6.279 3.143 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -7.017 -6.444 8.042 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -5.338 -7.672 4.339 1.00 0.00 H new ATOM 0 HZ PHE A 47 -5.363 -7.748 6.788 1.00 0.00 H new ATOM 698 N PRO A 48 -12.575 -4.660 3.300 1.00 0.00 N ATOM 699 CA PRO A 48 -13.521 -3.997 2.372 1.00 0.00 C ATOM 700 C PRO A 48 -13.608 -2.491 2.619 1.00 0.00 C ATOM 701 O PRO A 48 -13.718 -1.679 1.694 1.00 0.00 O ATOM 702 CB PRO A 48 -14.858 -4.658 2.727 1.00 0.00 C ATOM 703 CG PRO A 48 -14.696 -5.040 4.154 1.00 0.00 C ATOM 704 CD PRO A 48 -13.287 -5.514 4.276 1.00 0.00 C ATOM 0 HA PRO A 48 -13.224 -4.106 1.329 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -15.693 -3.971 2.589 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -15.053 -5.528 2.100 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -14.884 -4.192 4.812 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -15.400 -5.823 4.434 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -12.901 -5.383 5.287 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -13.193 -6.572 4.033 1.00 0.00 H new ATOM 712 N ASN A 49 -13.494 -2.145 3.872 1.00 0.00 N ATOM 713 CA ASN A 49 -13.613 -0.788 4.373 1.00 0.00 C ATOM 714 C ASN A 49 -12.440 0.113 4.009 1.00 0.00 C ATOM 715 O ASN A 49 -12.404 1.267 4.420 1.00 0.00 O ATOM 716 CB ASN A 49 -13.783 -0.792 5.901 1.00 0.00 C ATOM 717 CG ASN A 49 -12.657 -1.508 6.664 1.00 0.00 C ATOM 718 OD1 ASN A 49 -12.104 -2.510 6.204 1.00 0.00 O ATOM 719 ND2 ASN A 49 -12.276 -0.982 7.803 1.00 0.00 N ATOM 0 H ASN A 49 -13.308 -2.824 4.610 1.00 0.00 H new ATOM 0 HA ASN A 49 -14.496 -0.376 3.885 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -13.843 0.239 6.250 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -14.732 -1.268 6.147 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -11.508 -1.402 8.327 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -12.747 -0.153 8.165 1.00 0.00 H new ATOM 726 N LYS A 50 -11.477 -0.387 3.277 1.00 0.00 N ATOM 727 CA LYS A 50 -10.354 0.425 2.914 1.00 0.00 C ATOM 728 C LYS A 50 -10.371 0.826 1.443 1.00 0.00 C ATOM 729 O LYS A 50 -9.545 1.642 1.018 1.00 0.00 O ATOM 730 CB LYS A 50 -9.056 -0.280 3.273 1.00 0.00 C ATOM 731 CG LYS A 50 -8.806 -0.431 4.775 1.00 0.00 C ATOM 732 CD LYS A 50 -8.839 0.926 5.487 1.00 0.00 C ATOM 733 CE LYS A 50 -8.482 0.813 6.961 1.00 0.00 C ATOM 734 NZ LYS A 50 -9.341 -0.138 7.669 1.00 0.00 N ATOM 0 H LYS A 50 -11.451 -1.344 2.925 1.00 0.00 H new ATOM 0 HA LYS A 50 -10.425 1.350 3.487 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -9.058 -1.270 2.817 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -8.225 0.272 2.834 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -9.561 -1.088 5.207 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -7.839 -0.906 4.938 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -8.143 1.607 4.998 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -9.833 1.361 5.389 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -7.442 0.502 7.058 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -8.566 1.794 7.429 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -9.808 0.342 8.464 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -10.061 -0.508 7.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -8.764 -0.925 8.030 1.00 0.00 H new ATOM 748 N ASN A 51 -11.334 0.274 0.684 1.00 0.00 N ATOM 749 CA ASN A 51 -11.448 0.492 -0.788 1.00 0.00 C ATOM 750 C ASN A 51 -10.137 0.048 -1.428 1.00 0.00 C ATOM 751 O ASN A 51 -9.553 0.724 -2.310 1.00 0.00 O ATOM 752 CB ASN A 51 -11.725 1.970 -1.136 1.00 0.00 C ATOM 753 CG ASN A 51 -12.312 2.158 -2.541 1.00 0.00 C ATOM 754 OD1 ASN A 51 -13.528 2.170 -2.732 1.00 0.00 O ATOM 755 ND2 ASN A 51 -11.468 2.262 -3.524 1.00 0.00 N ATOM 0 H ASN A 51 -12.059 -0.336 1.063 1.00 0.00 H new ATOM 0 HA ASN A 51 -12.290 -0.087 -1.168 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -12.415 2.387 -0.402 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -10.796 2.536 -1.058 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -11.809 2.356 -4.481 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -10.465 2.249 -3.339 1.00 0.00 H new ATOM 762 N LEU A 52 -9.674 -1.070 -0.962 1.00 0.00 N ATOM 763 CA LEU A 52 -8.435 -1.660 -1.371 1.00 0.00 C ATOM 764 C LEU A 52 -8.642 -2.329 -2.736 1.00 0.00 C ATOM 765 O LEU A 52 -8.681 -3.541 -2.846 1.00 0.00 O ATOM 766 CB LEU A 52 -8.034 -2.689 -0.310 1.00 0.00 C ATOM 767 CG LEU A 52 -6.590 -3.138 -0.293 1.00 0.00 C ATOM 768 CD1 LEU A 52 -5.691 -2.011 0.203 1.00 0.00 C ATOM 769 CD2 LEU A 52 -6.434 -4.371 0.566 1.00 0.00 C ATOM 0 H LEU A 52 -10.168 -1.619 -0.258 1.00 0.00 H new ATOM 0 HA LEU A 52 -7.645 -0.915 -1.466 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -8.270 -2.273 0.670 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -8.660 -3.571 -0.441 1.00 0.00 H new ATOM 0 HG LEU A 52 -6.288 -3.391 -1.309 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -4.655 -2.349 0.210 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -5.788 -1.150 -0.459 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -5.987 -1.727 1.213 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -5.390 -4.683 0.569 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -6.748 -4.147 1.585 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -7.051 -5.175 0.165 1.00 0.00 H new ATOM 781 N LYS A 53 -8.832 -1.542 -3.761 1.00 0.00 N ATOM 782 CA LYS A 53 -9.178 -2.089 -5.044 1.00 0.00 C ATOM 783 C LYS A 53 -8.165 -1.791 -6.093 1.00 0.00 C ATOM 784 O LYS A 53 -7.455 -0.778 -6.028 1.00 0.00 O ATOM 785 CB LYS A 53 -10.559 -1.621 -5.495 1.00 0.00 C ATOM 786 CG LYS A 53 -11.716 -2.001 -4.544 1.00 0.00 C ATOM 787 CD LYS A 53 -12.329 -3.395 -4.829 1.00 0.00 C ATOM 788 CE LYS A 53 -11.316 -4.547 -4.785 1.00 0.00 C ATOM 789 NZ LYS A 53 -11.932 -5.872 -5.064 1.00 0.00 N ATOM 0 H LYS A 53 -8.753 -0.525 -3.733 1.00 0.00 H new ATOM 0 HA LYS A 53 -9.198 -3.171 -4.913 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -10.541 -0.537 -5.607 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -10.765 -2.040 -6.480 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -11.352 -1.978 -3.517 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -12.500 -1.247 -4.621 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -13.116 -3.590 -4.100 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -12.801 -3.378 -5.811 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -10.527 -4.358 -5.513 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -10.844 -4.571 -3.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -11.188 -6.557 -5.305 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -12.445 -6.201 -4.221 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -12.595 -5.786 -5.861 1.00 0.00 H new ATOM 803 N LYS A 54 -8.164 -2.669 -7.090 1.00 0.00 N ATOM 804 CA LYS A 54 -7.252 -2.657 -8.203 1.00 0.00 C ATOM 805 C LYS A 54 -5.816 -2.473 -7.733 1.00 0.00 C ATOM 806 O LYS A 54 -5.411 -3.060 -6.736 1.00 0.00 O ATOM 807 CB LYS A 54 -7.669 -1.617 -9.251 1.00 0.00 C ATOM 808 CG LYS A 54 -9.101 -1.800 -9.746 1.00 0.00 C ATOM 809 CD LYS A 54 -9.302 -1.223 -11.136 1.00 0.00 C ATOM 810 CE LYS A 54 -8.596 -2.081 -12.178 1.00 0.00 C ATOM 811 NZ LYS A 54 -8.708 -1.539 -13.549 1.00 0.00 N ATOM 0 H LYS A 54 -8.832 -3.438 -7.136 1.00 0.00 H new ATOM 0 HA LYS A 54 -7.299 -3.629 -8.694 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -7.564 -0.619 -8.825 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -6.988 -1.674 -10.100 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -9.348 -2.862 -9.755 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -9.789 -1.319 -9.051 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -10.367 -1.168 -11.363 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -8.915 -0.205 -11.173 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -7.542 -2.169 -11.914 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -9.015 -3.087 -12.156 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -8.209 -2.166 -14.212 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -9.711 -1.479 -13.818 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -8.283 -0.590 -13.583 1.00 0.00 H new ATOM 825 N ASN A 55 -5.067 -1.708 -8.457 1.00 0.00 N ATOM 826 CA ASN A 55 -3.680 -1.440 -8.160 1.00 0.00 C ATOM 827 C ASN A 55 -3.530 0.038 -7.822 1.00 0.00 C ATOM 828 O ASN A 55 -2.530 0.678 -8.135 1.00 0.00 O ATOM 829 CB ASN A 55 -2.831 -1.798 -9.388 1.00 0.00 C ATOM 830 CG ASN A 55 -3.104 -0.914 -10.606 1.00 0.00 C ATOM 831 OD1 ASN A 55 -4.243 -0.472 -10.863 1.00 0.00 O ATOM 832 ND2 ASN A 55 -2.080 -0.630 -11.347 1.00 0.00 N ATOM 0 H ASN A 55 -5.403 -1.235 -9.296 1.00 0.00 H new ATOM 0 HA ASN A 55 -3.345 -2.037 -7.312 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -1.776 -1.721 -9.124 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -3.017 -2.838 -9.656 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -2.193 -0.031 -12.165 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -1.161 -1.006 -11.113 1.00 0.00 H new ATOM 839 N TYR A 56 -4.528 0.558 -7.170 1.00 0.00 N ATOM 840 CA TYR A 56 -4.572 1.944 -6.822 1.00 0.00 C ATOM 841 C TYR A 56 -3.878 2.186 -5.506 1.00 0.00 C ATOM 842 O TYR A 56 -4.070 1.421 -4.568 1.00 0.00 O ATOM 843 CB TYR A 56 -6.015 2.395 -6.766 1.00 0.00 C ATOM 844 CG TYR A 56 -6.755 2.309 -8.087 1.00 0.00 C ATOM 845 CD1 TYR A 56 -6.082 2.405 -9.316 1.00 0.00 C ATOM 846 CD2 TYR A 56 -8.134 2.159 -8.111 1.00 0.00 C ATOM 847 CE1 TYR A 56 -6.765 2.353 -10.499 1.00 0.00 C ATOM 848 CE2 TYR A 56 -8.818 2.102 -9.305 1.00 0.00 C ATOM 849 CZ TYR A 56 -8.127 2.202 -10.494 1.00 0.00 C ATOM 850 OH TYR A 56 -8.806 2.150 -11.690 1.00 0.00 O ATOM 0 H TYR A 56 -5.341 0.025 -6.863 1.00 0.00 H new ATOM 0 HA TYR A 56 -4.046 2.525 -7.580 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -6.543 1.790 -6.029 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -6.046 3.426 -6.413 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -5.008 2.522 -9.327 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -8.678 2.086 -7.181 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -6.232 2.431 -11.435 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -9.891 1.980 -9.310 1.00 0.00 H new ATOM 0 HH TYR A 56 -9.764 2.039 -11.518 1.00 0.00 H new ATOM 860 N CYS A 57 -3.101 3.268 -5.420 1.00 0.00 N ATOM 861 CA CYS A 57 -2.324 3.532 -4.210 1.00 0.00 C ATOM 862 C CYS A 57 -3.247 3.773 -3.038 1.00 0.00 C ATOM 863 O CYS A 57 -4.187 4.579 -3.116 1.00 0.00 O ATOM 864 CB CYS A 57 -1.377 4.721 -4.374 1.00 0.00 C ATOM 865 SG CYS A 57 -0.202 4.594 -5.773 1.00 0.00 S ATOM 0 H CYS A 57 -2.994 3.963 -6.159 1.00 0.00 H new ATOM 0 HA CYS A 57 -1.713 2.648 -4.024 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -1.973 5.625 -4.502 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -0.808 4.842 -3.452 1.00 0.00 H new ATOM 870 N ARG A 58 -3.007 3.075 -1.972 1.00 0.00 N ATOM 871 CA ARG A 58 -3.838 3.152 -0.804 1.00 0.00 C ATOM 872 C ARG A 58 -2.967 3.295 0.423 1.00 0.00 C ATOM 873 O ARG A 58 -1.747 3.157 0.342 1.00 0.00 O ATOM 874 CB ARG A 58 -4.718 1.881 -0.688 1.00 0.00 C ATOM 875 CG ARG A 58 -5.752 1.702 -1.794 1.00 0.00 C ATOM 876 CD ARG A 58 -6.756 2.841 -1.794 1.00 0.00 C ATOM 877 NE ARG A 58 -7.740 2.726 -2.874 1.00 0.00 N ATOM 878 CZ ARG A 58 -7.767 3.525 -3.947 1.00 0.00 C ATOM 879 NH1 ARG A 58 -6.782 4.394 -4.160 1.00 0.00 N ATOM 880 NH2 ARG A 58 -8.752 3.429 -4.844 1.00 0.00 N ATOM 0 H ARG A 58 -2.223 2.429 -1.884 1.00 0.00 H new ATOM 0 HA ARG A 58 -4.493 4.020 -0.885 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -4.066 1.007 -0.678 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -5.236 1.904 0.271 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -5.251 1.655 -2.761 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -6.273 0.754 -1.659 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -7.275 2.863 -0.836 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -6.225 3.788 -1.891 1.00 0.00 H new ATOM 0 HE ARG A 58 -8.446 1.993 -2.804 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -6.003 4.453 -3.504 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -6.806 5.001 -4.979 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -9.494 2.741 -4.715 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -8.762 4.043 -5.658 1.00 0.00 H new ATOM 894 N ASN A 59 -3.580 3.609 1.519 1.00 0.00 N ATOM 895 CA ASN A 59 -2.918 3.668 2.810 1.00 0.00 C ATOM 896 C ASN A 59 -3.897 3.051 3.804 1.00 0.00 C ATOM 897 O ASN A 59 -4.647 3.748 4.462 1.00 0.00 O ATOM 898 CB ASN A 59 -2.568 5.131 3.227 1.00 0.00 C ATOM 899 CG ASN A 59 -1.673 5.209 4.464 1.00 0.00 C ATOM 900 OD1 ASN A 59 -1.647 4.309 5.283 1.00 0.00 O ATOM 901 ND2 ASN A 59 -0.961 6.309 4.624 1.00 0.00 N ATOM 0 H ASN A 59 -4.573 3.838 1.557 1.00 0.00 H new ATOM 0 HA ASN A 59 -1.969 3.133 2.778 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -2.071 5.630 2.395 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -3.491 5.677 3.420 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -0.371 6.419 5.449 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -1.000 7.049 3.923 1.00 0.00 H new ATOM 908 N PRO A 60 -3.992 1.722 3.828 1.00 0.00 N ATOM 909 CA PRO A 60 -4.984 1.030 4.649 1.00 0.00 C ATOM 910 C PRO A 60 -4.522 0.780 6.086 1.00 0.00 C ATOM 911 O PRO A 60 -5.301 0.855 7.032 1.00 0.00 O ATOM 912 CB PRO A 60 -5.129 -0.300 3.901 1.00 0.00 C ATOM 913 CG PRO A 60 -3.758 -0.571 3.360 1.00 0.00 C ATOM 914 CD PRO A 60 -3.156 0.772 3.041 1.00 0.00 C ATOM 0 HA PRO A 60 -5.901 1.607 4.763 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -5.459 -1.097 4.567 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -5.866 -0.228 3.101 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -3.151 -1.106 4.090 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -3.808 -1.196 2.468 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -2.107 0.822 3.334 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -3.199 0.988 1.974 1.00 0.00 H new ATOM 922 N ASP A 61 -3.271 0.509 6.208 1.00 0.00 N ATOM 923 CA ASP A 61 -2.629 0.090 7.426 1.00 0.00 C ATOM 924 C ASP A 61 -1.995 1.220 8.190 1.00 0.00 C ATOM 925 O ASP A 61 -1.543 1.022 9.319 1.00 0.00 O ATOM 926 CB ASP A 61 -1.570 -0.946 7.091 1.00 0.00 C ATOM 927 CG ASP A 61 -0.579 -0.531 5.999 1.00 0.00 C ATOM 928 OD1 ASP A 61 -0.738 0.554 5.360 1.00 0.00 O ATOM 929 OD2 ASP A 61 0.348 -1.313 5.744 1.00 0.00 O ATOM 0 H ASP A 61 -2.623 0.574 5.423 1.00 0.00 H new ATOM 0 HA ASP A 61 -3.404 -0.325 8.070 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -1.012 -1.179 7.998 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -2.068 -1.864 6.779 1.00 0.00 H new ATOM 934 N ARG A 62 -1.970 2.382 7.589 1.00 0.00 N ATOM 935 CA ARG A 62 -1.373 3.593 8.150 1.00 0.00 C ATOM 936 C ARG A 62 0.139 3.603 8.011 1.00 0.00 C ATOM 937 O ARG A 62 0.872 3.567 9.010 1.00 0.00 O ATOM 938 CB ARG A 62 -1.753 3.922 9.605 1.00 0.00 C ATOM 939 CG ARG A 62 -3.226 3.982 9.918 1.00 0.00 C ATOM 940 CD ARG A 62 -3.422 4.690 11.238 1.00 0.00 C ATOM 941 NE ARG A 62 -3.025 6.102 11.112 1.00 0.00 N ATOM 942 CZ ARG A 62 -2.482 6.867 12.055 1.00 0.00 C ATOM 943 NH1 ARG A 62 -2.210 6.384 13.261 1.00 0.00 N ATOM 944 NH2 ARG A 62 -2.201 8.131 11.772 1.00 0.00 N ATOM 0 H ARG A 62 -2.375 2.529 6.664 1.00 0.00 H new ATOM 0 HA ARG A 62 -1.815 4.381 7.541 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -1.296 3.175 10.254 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -1.310 4.883 9.864 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -3.758 4.509 9.126 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -3.642 2.976 9.966 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -4.466 4.622 11.546 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -2.829 4.204 12.013 1.00 0.00 H new ATOM 0 HE ARG A 62 -3.183 6.541 10.205 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -2.417 5.409 13.479 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -1.794 6.987 13.970 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -2.401 8.502 10.843 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -1.784 8.732 12.483 1.00 0.00 H new ATOM 958 N ASP A 63 0.611 3.563 6.798 1.00 0.00 N ATOM 959 CA ASP A 63 2.029 3.745 6.525 1.00 0.00 C ATOM 960 C ASP A 63 2.266 5.274 6.584 1.00 0.00 C ATOM 961 O ASP A 63 1.317 6.041 6.900 1.00 0.00 O ATOM 962 CB ASP A 63 2.374 3.203 5.124 1.00 0.00 C ATOM 963 CG ASP A 63 3.848 2.830 4.984 1.00 0.00 C ATOM 964 OD1 ASP A 63 4.713 3.654 5.234 1.00 0.00 O ATOM 965 OD2 ASP A 63 4.154 1.656 4.711 1.00 0.00 O ATOM 0 H ASP A 63 0.039 3.405 5.969 1.00 0.00 H new ATOM 0 HA ASP A 63 2.654 3.210 7.240 1.00 0.00 H new ATOM 0 HB2 ASP A 63 1.760 2.326 4.917 1.00 0.00 H new ATOM 0 HB3 ASP A 63 2.121 3.954 4.376 1.00 0.00 H new ATOM 970 N LEU A 64 3.453 5.730 6.276 1.00 0.00 N ATOM 971 CA LEU A 64 3.791 7.162 6.369 1.00 0.00 C ATOM 972 C LEU A 64 2.963 8.011 5.386 1.00 0.00 C ATOM 973 O LEU A 64 2.554 9.147 5.698 1.00 0.00 O ATOM 974 CB LEU A 64 5.309 7.410 6.171 1.00 0.00 C ATOM 975 CG LEU A 64 6.278 6.993 7.319 1.00 0.00 C ATOM 976 CD1 LEU A 64 5.940 7.704 8.617 1.00 0.00 C ATOM 977 CD2 LEU A 64 6.326 5.481 7.531 1.00 0.00 C ATOM 0 H LEU A 64 4.220 5.140 5.954 1.00 0.00 H new ATOM 0 HA LEU A 64 3.533 7.479 7.379 1.00 0.00 H new ATOM 0 HB2 LEU A 64 5.617 6.884 5.267 1.00 0.00 H new ATOM 0 HB3 LEU A 64 5.451 8.475 5.985 1.00 0.00 H new ATOM 0 HG LEU A 64 7.274 7.304 7.004 1.00 0.00 H new ATOM 0 HD11 LEU A 64 6.635 7.390 9.396 1.00 0.00 H new ATOM 0 HD12 LEU A 64 6.019 8.782 8.473 1.00 0.00 H new ATOM 0 HD13 LEU A 64 4.923 7.452 8.916 1.00 0.00 H new ATOM 0 HD21 LEU A 64 7.016 5.249 8.342 1.00 0.00 H new ATOM 0 HD22 LEU A 64 5.331 5.118 7.787 1.00 0.00 H new ATOM 0 HD23 LEU A 64 6.665 4.996 6.616 1.00 0.00 H new ATOM 989 N ARG A 65 2.718 7.449 4.230 1.00 0.00 N ATOM 990 CA ARG A 65 1.906 8.036 3.186 1.00 0.00 C ATOM 991 C ARG A 65 1.433 6.880 2.330 1.00 0.00 C ATOM 992 O ARG A 65 1.976 5.784 2.487 1.00 0.00 O ATOM 993 CB ARG A 65 2.693 9.070 2.336 1.00 0.00 C ATOM 994 CG ARG A 65 3.981 8.553 1.709 1.00 0.00 C ATOM 995 CD ARG A 65 4.534 9.519 0.663 1.00 0.00 C ATOM 996 NE ARG A 65 4.632 10.899 1.158 1.00 0.00 N ATOM 997 CZ ARG A 65 5.556 11.800 0.796 1.00 0.00 C ATOM 998 NH1 ARG A 65 6.619 11.442 0.078 1.00 0.00 N ATOM 999 NH2 ARG A 65 5.437 13.053 1.207 1.00 0.00 N ATOM 0 H ARG A 65 3.092 6.534 3.977 1.00 0.00 H new ATOM 0 HA ARG A 65 1.073 8.591 3.617 1.00 0.00 H new ATOM 0 HB2 ARG A 65 2.042 9.433 1.541 1.00 0.00 H new ATOM 0 HB3 ARG A 65 2.934 9.926 2.967 1.00 0.00 H new ATOM 0 HG2 ARG A 65 4.727 8.396 2.488 1.00 0.00 H new ATOM 0 HG3 ARG A 65 3.796 7.584 1.246 1.00 0.00 H new ATOM 0 HD2 ARG A 65 5.521 9.180 0.348 1.00 0.00 H new ATOM 0 HD3 ARG A 65 3.893 9.499 -0.219 1.00 0.00 H new ATOM 0 HE ARG A 65 3.934 11.198 1.839 1.00 0.00 H new ATOM 0 HH11 ARG A 65 6.739 10.469 -0.205 1.00 0.00 H new ATOM 0 HH12 ARG A 65 7.313 12.140 -0.189 1.00 0.00 H new ATOM 0 HH21 ARG A 65 4.648 13.325 1.793 1.00 0.00 H new ATOM 0 HH22 ARG A 65 6.135 13.747 0.937 1.00 0.00 H new ATOM 1013 N PRO A 66 0.403 7.058 1.460 1.00 0.00 N ATOM 1014 CA PRO A 66 -0.079 5.980 0.593 1.00 0.00 C ATOM 1015 C PRO A 66 1.017 5.359 -0.224 1.00 0.00 C ATOM 1016 O PRO A 66 1.964 6.027 -0.680 1.00 0.00 O ATOM 1017 CB PRO A 66 -1.109 6.655 -0.289 1.00 0.00 C ATOM 1018 CG PRO A 66 -1.620 7.719 0.587 1.00 0.00 C ATOM 1019 CD PRO A 66 -0.400 8.277 1.258 1.00 0.00 C ATOM 0 HA PRO A 66 -0.488 5.151 1.170 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -0.665 7.056 -1.200 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -1.897 5.966 -0.595 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -2.143 8.486 0.015 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -2.328 7.326 1.316 1.00 0.00 H new ATOM 0 HD2 PRO A 66 0.114 9.009 0.634 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -0.639 8.772 2.199 1.00 0.00 H new ATOM 1027 N TRP A 67 0.860 4.124 -0.442 1.00 0.00 N ATOM 1028 CA TRP A 67 1.841 3.311 -1.028 1.00 0.00 C ATOM 1029 C TRP A 67 1.144 2.306 -1.896 1.00 0.00 C ATOM 1030 O TRP A 67 -0.096 2.344 -2.010 1.00 0.00 O ATOM 1031 CB TRP A 67 2.659 2.623 0.090 1.00 0.00 C ATOM 1032 CG TRP A 67 1.809 1.825 1.050 1.00 0.00 C ATOM 1033 CD1 TRP A 67 1.123 2.294 2.138 1.00 0.00 C ATOM 1034 CD2 TRP A 67 1.556 0.426 0.999 1.00 0.00 C ATOM 1035 NE1 TRP A 67 0.462 1.268 2.758 1.00 0.00 N ATOM 1036 CE2 TRP A 67 0.707 0.114 2.074 1.00 0.00 C ATOM 1037 CE3 TRP A 67 1.966 -0.595 0.143 1.00 0.00 C ATOM 1038 CZ2 TRP A 67 0.260 -1.170 2.311 1.00 0.00 C ATOM 1039 CZ3 TRP A 67 1.524 -1.867 0.384 1.00 0.00 C ATOM 1040 CH2 TRP A 67 0.676 -2.146 1.459 1.00 0.00 C ATOM 0 H TRP A 67 0.003 3.623 -0.207 1.00 0.00 H new ATOM 0 HA TRP A 67 2.532 3.893 -1.639 1.00 0.00 H new ATOM 0 HB2 TRP A 67 3.398 1.963 -0.364 1.00 0.00 H new ATOM 0 HB3 TRP A 67 3.209 3.382 0.647 1.00 0.00 H new ATOM 0 HD1 TRP A 67 1.106 3.325 2.461 1.00 0.00 H new ATOM 0 HE1 TRP A 67 -0.118 1.353 3.593 1.00 0.00 H new ATOM 0 HE3 TRP A 67 2.618 -0.386 -0.692 1.00 0.00 H new ATOM 0 HZ2 TRP A 67 -0.395 -1.392 3.141 1.00 0.00 H new ATOM 0 HZ3 TRP A 67 1.836 -2.670 -0.268 1.00 0.00 H new ATOM 0 HH2 TRP A 67 0.343 -3.161 1.617 1.00 0.00 H new ATOM 1051 N CYS A 68 1.889 1.438 -2.502 1.00 0.00 N ATOM 1052 CA CYS A 68 1.324 0.436 -3.336 1.00 0.00 C ATOM 1053 C CYS A 68 2.376 -0.639 -3.556 1.00 0.00 C ATOM 1054 O CYS A 68 3.580 -0.364 -3.399 1.00 0.00 O ATOM 1055 CB CYS A 68 0.904 1.069 -4.661 1.00 0.00 C ATOM 1056 SG CYS A 68 -0.695 0.497 -5.268 1.00 0.00 S ATOM 0 H CYS A 68 2.906 1.407 -2.430 1.00 0.00 H new ATOM 0 HA CYS A 68 0.442 -0.010 -2.876 1.00 0.00 H new ATOM 0 HB2 CYS A 68 0.870 2.152 -4.541 1.00 0.00 H new ATOM 0 HB3 CYS A 68 1.665 0.855 -5.412 1.00 0.00 H new ATOM 1061 N PHE A 69 1.958 -1.852 -3.867 1.00 0.00 N ATOM 1062 CA PHE A 69 2.904 -2.911 -4.138 1.00 0.00 C ATOM 1063 C PHE A 69 3.433 -2.763 -5.534 1.00 0.00 C ATOM 1064 O PHE A 69 2.750 -2.246 -6.404 1.00 0.00 O ATOM 1065 CB PHE A 69 2.285 -4.295 -3.949 1.00 0.00 C ATOM 1066 CG PHE A 69 2.154 -4.730 -2.518 1.00 0.00 C ATOM 1067 CD1 PHE A 69 3.271 -5.158 -1.815 1.00 0.00 C ATOM 1068 CD2 PHE A 69 0.932 -4.732 -1.885 1.00 0.00 C ATOM 1069 CE1 PHE A 69 3.167 -5.574 -0.505 1.00 0.00 C ATOM 1070 CE2 PHE A 69 0.820 -5.146 -0.570 1.00 0.00 C ATOM 1071 CZ PHE A 69 1.939 -5.568 0.121 1.00 0.00 C ATOM 0 H PHE A 69 0.977 -2.124 -3.937 1.00 0.00 H new ATOM 0 HA PHE A 69 3.721 -2.825 -3.422 1.00 0.00 H new ATOM 0 HB2 PHE A 69 1.297 -4.303 -4.409 1.00 0.00 H new ATOM 0 HB3 PHE A 69 2.892 -5.026 -4.483 1.00 0.00 H new ATOM 0 HD1 PHE A 69 4.235 -5.165 -2.301 1.00 0.00 H new ATOM 0 HD2 PHE A 69 0.052 -4.407 -2.420 1.00 0.00 H new ATOM 0 HE1 PHE A 69 4.046 -5.904 0.030 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -0.144 -5.139 -0.083 1.00 0.00 H new ATOM 0 HZ PHE A 69 1.852 -5.892 1.148 1.00 0.00 H new ATOM 1081 N THR A 70 4.628 -3.175 -5.757 1.00 0.00 N ATOM 1082 CA THR A 70 5.203 -3.042 -7.049 1.00 0.00 C ATOM 1083 C THR A 70 5.036 -4.294 -7.900 1.00 0.00 C ATOM 1084 O THR A 70 4.985 -5.413 -7.387 1.00 0.00 O ATOM 1085 CB THR A 70 6.665 -2.677 -6.898 1.00 0.00 C ATOM 1086 OG1 THR A 70 7.111 -3.161 -5.636 1.00 0.00 O ATOM 1087 CG2 THR A 70 6.857 -1.180 -6.982 1.00 0.00 C ATOM 0 H THR A 70 5.231 -3.610 -5.059 1.00 0.00 H new ATOM 0 HA THR A 70 4.673 -2.250 -7.578 1.00 0.00 H new ATOM 0 HB THR A 70 7.244 -3.128 -7.704 1.00 0.00 H new ATOM 0 HG1 THR A 70 7.681 -3.947 -5.770 1.00 0.00 H new ATOM 0 HG21 THR A 70 7.915 -0.942 -6.871 1.00 0.00 H new ATOM 0 HG22 THR A 70 6.504 -0.822 -7.949 1.00 0.00 H new ATOM 0 HG23 THR A 70 6.291 -0.695 -6.187 1.00 0.00 H new ATOM 1095 N THR A 71 4.894 -4.092 -9.194 1.00 0.00 N ATOM 1096 CA THR A 71 4.868 -5.181 -10.140 1.00 0.00 C ATOM 1097 C THR A 71 6.299 -5.626 -10.414 1.00 0.00 C ATOM 1098 O THR A 71 6.557 -6.734 -10.898 1.00 0.00 O ATOM 1099 CB THR A 71 4.220 -4.720 -11.458 1.00 0.00 C ATOM 1100 OG1 THR A 71 4.781 -3.447 -11.848 1.00 0.00 O ATOM 1101 CG2 THR A 71 2.713 -4.599 -11.321 1.00 0.00 C ATOM 0 H THR A 71 4.794 -3.169 -9.616 1.00 0.00 H new ATOM 0 HA THR A 71 4.287 -6.006 -9.728 1.00 0.00 H new ATOM 0 HB THR A 71 4.428 -5.468 -12.223 1.00 0.00 H new ATOM 0 HG1 THR A 71 4.226 -2.722 -11.491 1.00 0.00 H new ATOM 0 HG21 THR A 71 2.287 -4.272 -12.269 1.00 0.00 H new ATOM 0 HG22 THR A 71 2.293 -5.568 -11.050 1.00 0.00 H new ATOM 0 HG23 THR A 71 2.475 -3.871 -10.546 1.00 0.00 H new ATOM 1109 N ASP A 72 7.219 -4.737 -10.067 1.00 0.00 N ATOM 1110 CA ASP A 72 8.626 -4.932 -10.267 1.00 0.00 C ATOM 1111 C ASP A 72 9.122 -5.971 -9.286 1.00 0.00 C ATOM 1112 O ASP A 72 8.788 -5.895 -8.111 1.00 0.00 O ATOM 1113 CB ASP A 72 9.353 -3.614 -10.039 1.00 0.00 C ATOM 1114 CG ASP A 72 10.803 -3.709 -10.380 1.00 0.00 C ATOM 1115 OD1 ASP A 72 11.122 -3.712 -11.577 1.00 0.00 O ATOM 1116 OD2 ASP A 72 11.650 -3.765 -9.467 1.00 0.00 O ATOM 0 H ASP A 72 6.991 -3.844 -9.630 1.00 0.00 H new ATOM 0 HA ASP A 72 8.816 -5.274 -11.284 1.00 0.00 H new ATOM 0 HB2 ASP A 72 8.889 -2.835 -10.643 1.00 0.00 H new ATOM 0 HB3 ASP A 72 9.245 -3.316 -8.996 1.00 0.00 H new ATOM 1121 N PRO A 73 9.903 -6.965 -9.737 1.00 0.00 N ATOM 1122 CA PRO A 73 10.361 -8.045 -8.867 1.00 0.00 C ATOM 1123 C PRO A 73 11.370 -7.601 -7.809 1.00 0.00 C ATOM 1124 O PRO A 73 11.477 -8.223 -6.737 1.00 0.00 O ATOM 1125 CB PRO A 73 10.989 -9.072 -9.819 1.00 0.00 C ATOM 1126 CG PRO A 73 10.738 -8.591 -11.199 1.00 0.00 C ATOM 1127 CD PRO A 73 10.386 -7.134 -11.118 1.00 0.00 C ATOM 0 HA PRO A 73 9.527 -8.443 -8.289 1.00 0.00 H new ATOM 0 HB2 PRO A 73 12.059 -9.168 -9.632 1.00 0.00 H new ATOM 0 HB3 PRO A 73 10.549 -10.058 -9.668 1.00 0.00 H new ATOM 0 HG2 PRO A 73 11.621 -8.737 -11.821 1.00 0.00 H new ATOM 0 HG3 PRO A 73 9.927 -9.155 -11.659 1.00 0.00 H new ATOM 0 HD2 PRO A 73 11.251 -6.502 -11.319 1.00 0.00 H new ATOM 0 HD3 PRO A 73 9.619 -6.867 -11.845 1.00 0.00 H new ATOM 1135 N ASN A 74 12.095 -6.541 -8.091 1.00 0.00 N ATOM 1136 CA ASN A 74 13.096 -6.044 -7.175 1.00 0.00 C ATOM 1137 C ASN A 74 12.447 -5.309 -6.033 1.00 0.00 C ATOM 1138 O ASN A 74 12.761 -5.542 -4.867 1.00 0.00 O ATOM 1139 CB ASN A 74 14.059 -5.116 -7.901 1.00 0.00 C ATOM 1140 CG ASN A 74 15.111 -4.527 -6.991 1.00 0.00 C ATOM 1141 OD1 ASN A 74 14.945 -3.442 -6.416 1.00 0.00 O ATOM 1142 ND2 ASN A 74 16.187 -5.221 -6.851 1.00 0.00 N ATOM 0 H ASN A 74 12.008 -6.004 -8.954 1.00 0.00 H new ATOM 0 HA ASN A 74 13.650 -6.895 -6.778 1.00 0.00 H new ATOM 0 HB2 ASN A 74 14.549 -5.666 -8.705 1.00 0.00 H new ATOM 0 HB3 ASN A 74 13.495 -4.308 -8.366 1.00 0.00 H new ATOM 0 HD21 ASN A 74 16.938 -4.881 -6.250 1.00 0.00 H new ATOM 0 HD22 ASN A 74 16.288 -6.110 -7.341 1.00 0.00 H new ATOM 1149 N LYS A 75 11.519 -4.457 -6.364 1.00 0.00 N ATOM 1150 CA LYS A 75 10.863 -3.637 -5.378 1.00 0.00 C ATOM 1151 C LYS A 75 9.775 -4.414 -4.700 1.00 0.00 C ATOM 1152 O LYS A 75 9.026 -5.116 -5.352 1.00 0.00 O ATOM 1153 CB LYS A 75 10.288 -2.380 -6.007 1.00 0.00 C ATOM 1154 CG LYS A 75 10.894 -1.087 -5.481 1.00 0.00 C ATOM 1155 CD LYS A 75 12.389 -0.994 -5.751 1.00 0.00 C ATOM 1156 CE LYS A 75 12.965 0.364 -5.349 1.00 0.00 C ATOM 1157 NZ LYS A 75 12.753 0.697 -3.919 1.00 0.00 N ATOM 0 H LYS A 75 11.195 -4.309 -7.320 1.00 0.00 H new ATOM 0 HA LYS A 75 11.606 -3.339 -4.638 1.00 0.00 H new ATOM 0 HB2 LYS A 75 10.437 -2.426 -7.086 1.00 0.00 H new ATOM 0 HB3 LYS A 75 9.212 -2.360 -5.835 1.00 0.00 H new ATOM 0 HG2 LYS A 75 10.391 -0.238 -5.944 1.00 0.00 H new ATOM 0 HG3 LYS A 75 10.716 -1.016 -4.408 1.00 0.00 H new ATOM 0 HD2 LYS A 75 12.905 -1.782 -5.203 1.00 0.00 H new ATOM 0 HD3 LYS A 75 12.577 -1.167 -6.811 1.00 0.00 H new ATOM 0 HE2 LYS A 75 14.034 0.374 -5.561 1.00 0.00 H new ATOM 0 HE3 LYS A 75 12.511 1.139 -5.966 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 13.182 1.621 -3.710 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 11.733 0.736 -3.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 13.195 -0.032 -3.324 1.00 0.00 H new ATOM 1171 N ARG A 76 9.693 -4.299 -3.408 1.00 0.00 N ATOM 1172 CA ARG A 76 8.688 -5.027 -2.644 1.00 0.00 C ATOM 1173 C ARG A 76 7.388 -4.237 -2.722 1.00 0.00 C ATOM 1174 O ARG A 76 6.334 -4.747 -3.133 1.00 0.00 O ATOM 1175 CB ARG A 76 9.144 -5.146 -1.183 1.00 0.00 C ATOM 1176 CG ARG A 76 8.612 -6.359 -0.442 1.00 0.00 C ATOM 1177 CD ARG A 76 9.277 -7.621 -0.967 1.00 0.00 C ATOM 1178 NE ARG A 76 8.888 -8.821 -0.231 1.00 0.00 N ATOM 1179 CZ ARG A 76 9.671 -9.906 -0.078 1.00 0.00 C ATOM 1180 NH1 ARG A 76 10.871 -9.967 -0.649 1.00 0.00 N ATOM 1181 NH2 ARG A 76 9.267 -10.909 0.672 1.00 0.00 N ATOM 0 H ARG A 76 10.307 -3.709 -2.846 1.00 0.00 H new ATOM 0 HA ARG A 76 8.546 -6.030 -3.045 1.00 0.00 H new ATOM 0 HB2 ARG A 76 10.233 -5.173 -1.159 1.00 0.00 H new ATOM 0 HB3 ARG A 76 8.836 -4.248 -0.648 1.00 0.00 H new ATOM 0 HG2 ARG A 76 8.802 -6.255 0.626 1.00 0.00 H new ATOM 0 HG3 ARG A 76 7.532 -6.428 -0.568 1.00 0.00 H new ATOM 0 HD2 ARG A 76 9.022 -7.748 -2.019 1.00 0.00 H new ATOM 0 HD3 ARG A 76 10.359 -7.504 -0.913 1.00 0.00 H new ATOM 0 HE ARG A 76 7.962 -8.838 0.196 1.00 0.00 H new ATOM 0 HH11 ARG A 76 11.209 -9.186 -1.211 1.00 0.00 H new ATOM 0 HH12 ARG A 76 11.453 -10.795 -0.525 1.00 0.00 H new ATOM 0 HH21 ARG A 76 8.361 -10.865 1.138 1.00 0.00 H new ATOM 0 HH22 ARG A 76 9.860 -11.731 0.788 1.00 0.00 H new ATOM 1195 N TRP A 77 7.501 -2.998 -2.353 1.00 0.00 N ATOM 1196 CA TRP A 77 6.462 -2.024 -2.419 1.00 0.00 C ATOM 1197 C TRP A 77 7.132 -0.698 -2.512 1.00 0.00 C ATOM 1198 O TRP A 77 8.343 -0.596 -2.248 1.00 0.00 O ATOM 1199 CB TRP A 77 5.514 -2.061 -1.189 1.00 0.00 C ATOM 1200 CG TRP A 77 6.203 -1.944 0.151 1.00 0.00 C ATOM 1201 CD1 TRP A 77 6.616 -2.965 0.942 1.00 0.00 C ATOM 1202 CD2 TRP A 77 6.543 -0.736 0.853 1.00 0.00 C ATOM 1203 NE1 TRP A 77 7.220 -2.477 2.072 1.00 0.00 N ATOM 1204 CE2 TRP A 77 7.186 -1.115 2.042 1.00 0.00 C ATOM 1205 CE3 TRP A 77 6.376 0.624 0.584 1.00 0.00 C ATOM 1206 CZ2 TRP A 77 7.660 -0.186 2.962 1.00 0.00 C ATOM 1207 CZ3 TRP A 77 6.845 1.541 1.497 1.00 0.00 C ATOM 1208 CH2 TRP A 77 7.482 1.133 2.672 1.00 0.00 C ATOM 0 H TRP A 77 8.371 -2.621 -1.977 1.00 0.00 H new ATOM 0 HA TRP A 77 5.829 -2.229 -3.282 1.00 0.00 H new ATOM 0 HB2 TRP A 77 4.791 -1.250 -1.281 1.00 0.00 H new ATOM 0 HB3 TRP A 77 4.951 -2.994 -1.211 1.00 0.00 H new ATOM 0 HD1 TRP A 77 6.488 -4.013 0.714 1.00 0.00 H new ATOM 0 HE1 TRP A 77 7.629 -3.043 2.816 1.00 0.00 H new ATOM 0 HE3 TRP A 77 5.888 0.950 -0.323 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 8.151 -0.499 3.872 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 6.718 2.596 1.302 1.00 0.00 H new ATOM 0 HH2 TRP A 77 7.841 1.879 3.365 1.00 0.00 H new ATOM 1219 N GLU A 78 6.384 0.285 -2.848 1.00 0.00 N ATOM 1220 CA GLU A 78 6.881 1.635 -2.965 1.00 0.00 C ATOM 1221 C GLU A 78 5.845 2.586 -2.491 1.00 0.00 C ATOM 1222 O GLU A 78 4.640 2.279 -2.513 1.00 0.00 O ATOM 1223 CB GLU A 78 7.213 1.989 -4.412 1.00 0.00 C ATOM 1224 CG GLU A 78 8.487 1.410 -4.954 1.00 0.00 C ATOM 1225 CD GLU A 78 9.717 2.104 -4.438 1.00 0.00 C ATOM 1226 OE1 GLU A 78 10.150 3.077 -5.065 1.00 0.00 O ATOM 1227 OE2 GLU A 78 10.295 1.680 -3.419 1.00 0.00 O ATOM 0 H GLU A 78 5.390 0.190 -3.056 1.00 0.00 H new ATOM 0 HA GLU A 78 7.787 1.704 -2.363 1.00 0.00 H new ATOM 0 HB2 GLU A 78 6.389 1.659 -5.044 1.00 0.00 H new ATOM 0 HB3 GLU A 78 7.265 3.074 -4.497 1.00 0.00 H new ATOM 0 HG2 GLU A 78 8.538 0.353 -4.694 1.00 0.00 H new ATOM 0 HG3 GLU A 78 8.473 1.471 -6.042 1.00 0.00 H new ATOM 1234 N TYR A 79 6.292 3.721 -2.056 1.00 0.00 N ATOM 1235 CA TYR A 79 5.415 4.783 -1.710 1.00 0.00 C ATOM 1236 C TYR A 79 4.847 5.375 -2.966 1.00 0.00 C ATOM 1237 O TYR A 79 5.441 5.256 -4.045 1.00 0.00 O ATOM 1238 CB TYR A 79 6.136 5.859 -0.918 1.00 0.00 C ATOM 1239 CG TYR A 79 6.420 5.479 0.500 1.00 0.00 C ATOM 1240 CD1 TYR A 79 5.391 5.432 1.415 1.00 0.00 C ATOM 1241 CD2 TYR A 79 7.700 5.172 0.930 1.00 0.00 C ATOM 1242 CE1 TYR A 79 5.614 5.096 2.716 1.00 0.00 C ATOM 1243 CE2 TYR A 79 7.937 4.829 2.244 1.00 0.00 C ATOM 1244 CZ TYR A 79 6.882 4.795 3.132 1.00 0.00 C ATOM 1245 OH TYR A 79 7.097 4.462 4.446 1.00 0.00 O ATOM 0 H TYR A 79 7.282 3.934 -1.932 1.00 0.00 H new ATOM 0 HA TYR A 79 4.616 4.385 -1.084 1.00 0.00 H new ATOM 0 HB2 TYR A 79 7.076 6.095 -1.416 1.00 0.00 H new ATOM 0 HB3 TYR A 79 5.534 6.768 -0.927 1.00 0.00 H new ATOM 0 HD1 TYR A 79 4.387 5.666 1.094 1.00 0.00 H new ATOM 0 HD2 TYR A 79 8.521 5.202 0.229 1.00 0.00 H new ATOM 0 HE1 TYR A 79 4.793 5.067 3.417 1.00 0.00 H new ATOM 0 HE2 TYR A 79 8.937 4.590 2.574 1.00 0.00 H new ATOM 0 HH TYR A 79 6.368 3.889 4.762 1.00 0.00 H new ATOM 1255 N CYS A 80 3.731 5.986 -2.853 1.00 0.00 N ATOM 1256 CA CYS A 80 3.114 6.604 -3.977 1.00 0.00 C ATOM 1257 C CYS A 80 3.287 8.095 -3.794 1.00 0.00 C ATOM 1258 O CYS A 80 3.194 8.597 -2.666 1.00 0.00 O ATOM 1259 CB CYS A 80 1.641 6.240 -4.014 1.00 0.00 C ATOM 1260 SG CYS A 80 0.874 6.324 -5.657 1.00 0.00 S ATOM 0 H CYS A 80 3.212 6.076 -1.979 1.00 0.00 H new ATOM 0 HA CYS A 80 3.561 6.274 -4.915 1.00 0.00 H new ATOM 0 HB2 CYS A 80 1.522 5.229 -3.625 1.00 0.00 H new ATOM 0 HB3 CYS A 80 1.100 6.906 -3.342 1.00 0.00 H new ATOM 1265 N ASP A 81 3.554 8.798 -4.854 1.00 0.00 N ATOM 1266 CA ASP A 81 3.821 10.221 -4.737 1.00 0.00 C ATOM 1267 C ASP A 81 2.631 11.009 -5.128 1.00 0.00 C ATOM 1268 O ASP A 81 2.341 11.198 -6.309 1.00 0.00 O ATOM 1269 CB ASP A 81 5.028 10.675 -5.538 1.00 0.00 C ATOM 1270 CG ASP A 81 5.335 12.133 -5.302 1.00 0.00 C ATOM 1271 OD1 ASP A 81 5.606 12.510 -4.151 1.00 0.00 O ATOM 1272 OD2 ASP A 81 5.319 12.932 -6.260 1.00 0.00 O ATOM 0 H ASP A 81 3.595 8.426 -5.803 1.00 0.00 H new ATOM 0 HA ASP A 81 4.053 10.399 -3.687 1.00 0.00 H new ATOM 0 HB2 ASP A 81 5.894 10.072 -5.266 1.00 0.00 H new ATOM 0 HB3 ASP A 81 4.845 10.508 -6.599 1.00 0.00 H new ATOM 1277 N ILE A 82 1.905 11.392 -4.152 1.00 0.00 N ATOM 1278 CA ILE A 82 0.744 12.172 -4.334 1.00 0.00 C ATOM 1279 C ILE A 82 0.942 13.445 -3.542 1.00 0.00 C ATOM 1280 O ILE A 82 1.522 13.387 -2.439 1.00 0.00 O ATOM 1281 CB ILE A 82 -0.495 11.405 -3.797 1.00 0.00 C ATOM 1282 CG1 ILE A 82 -0.455 9.955 -4.316 1.00 0.00 C ATOM 1283 CG2 ILE A 82 -1.785 12.108 -4.233 1.00 0.00 C ATOM 1284 CD1 ILE A 82 -1.574 9.066 -3.834 1.00 0.00 C ATOM 0 H ILE A 82 2.106 11.167 -3.178 1.00 0.00 H new ATOM 0 HA ILE A 82 0.579 12.389 -5.389 1.00 0.00 H new ATOM 0 HB ILE A 82 -0.475 11.392 -2.707 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -0.474 9.976 -5.406 1.00 0.00 H new ATOM 0 HG13 ILE A 82 0.494 9.508 -4.022 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -2.646 11.560 -3.850 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -1.797 13.124 -3.838 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -1.831 12.141 -5.322 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -1.454 8.068 -4.256 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -1.548 9.005 -2.746 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -2.531 9.481 -4.151 1.00 0.00 H new ATOM 1494 N ALA B 108 -5.672 -4.330 12.992 1.00 0.00 N ATOM 1495 CA ALA B 108 -4.539 -4.726 13.812 1.00 0.00 C ATOM 1496 C ALA B 108 -3.642 -5.663 13.010 1.00 0.00 C ATOM 1497 O ALA B 108 -2.410 -5.603 13.099 1.00 0.00 O ATOM 1498 CB ALA B 108 -5.015 -5.393 15.090 1.00 0.00 C ATOM 0 HA ALA B 108 -3.967 -3.841 14.093 1.00 0.00 H new ATOM 0 HB1 ALA B 108 -4.154 -5.683 15.692 1.00 0.00 H new ATOM 0 HB2 ALA B 108 -5.634 -4.696 15.655 1.00 0.00 H new ATOM 0 HB3 ALA B 108 -5.599 -6.279 14.842 1.00 0.00 H new ATOM 1504 N GLU B 109 -4.284 -6.520 12.219 1.00 0.00 N ATOM 1505 CA GLU B 109 -3.608 -7.416 11.290 1.00 0.00 C ATOM 1506 C GLU B 109 -2.849 -6.559 10.278 1.00 0.00 C ATOM 1507 O GLU B 109 -1.676 -6.802 9.997 1.00 0.00 O ATOM 1508 CB GLU B 109 -4.650 -8.298 10.587 1.00 0.00 C ATOM 1509 CG GLU B 109 -4.092 -9.304 9.600 1.00 0.00 C ATOM 1510 CD GLU B 109 -5.187 -10.052 8.884 1.00 0.00 C ATOM 1511 OE1 GLU B 109 -5.665 -11.077 9.384 1.00 0.00 O ATOM 1512 OE2 GLU B 109 -5.617 -9.627 7.806 1.00 0.00 O ATOM 0 H GLU B 109 -5.300 -6.611 12.207 1.00 0.00 H new ATOM 0 HA GLU B 109 -2.908 -8.068 11.813 1.00 0.00 H new ATOM 0 HB2 GLU B 109 -5.217 -8.836 11.347 1.00 0.00 H new ATOM 0 HB3 GLU B 109 -5.353 -7.652 10.062 1.00 0.00 H new ATOM 0 HG2 GLU B 109 -3.467 -8.789 8.871 1.00 0.00 H new ATOM 0 HG3 GLU B 109 -3.452 -10.012 10.126 1.00 0.00 H new ATOM 1519 N LEU B 110 -3.534 -5.519 9.783 1.00 0.00 N ATOM 1520 CA LEU B 110 -2.957 -4.524 8.892 1.00 0.00 C ATOM 1521 C LEU B 110 -1.680 -3.940 9.466 1.00 0.00 C ATOM 1522 O LEU B 110 -0.683 -3.871 8.782 1.00 0.00 O ATOM 1523 CB LEU B 110 -3.971 -3.403 8.597 1.00 0.00 C ATOM 1524 CG LEU B 110 -5.024 -3.677 7.524 1.00 0.00 C ATOM 1525 CD1 LEU B 110 -5.992 -2.507 7.409 1.00 0.00 C ATOM 1526 CD2 LEU B 110 -4.359 -3.924 6.178 1.00 0.00 C ATOM 0 H LEU B 110 -4.517 -5.350 9.998 1.00 0.00 H new ATOM 0 HA LEU B 110 -2.708 -5.026 7.957 1.00 0.00 H new ATOM 0 HB2 LEU B 110 -4.489 -3.164 9.525 1.00 0.00 H new ATOM 0 HB3 LEU B 110 -3.414 -2.513 8.304 1.00 0.00 H new ATOM 0 HG LEU B 110 -5.580 -4.568 7.817 1.00 0.00 H new ATOM 0 HD11 LEU B 110 -6.733 -2.722 6.640 1.00 0.00 H new ATOM 0 HD12 LEU B 110 -6.494 -2.355 8.364 1.00 0.00 H new ATOM 0 HD13 LEU B 110 -5.442 -1.605 7.141 1.00 0.00 H new ATOM 0 HD21 LEU B 110 -5.123 -4.118 5.425 1.00 0.00 H new ATOM 0 HD22 LEU B 110 -3.781 -3.046 5.891 1.00 0.00 H new ATOM 0 HD23 LEU B 110 -3.696 -4.786 6.252 1.00 0.00 H new ATOM 1538 N GLN B 111 -1.717 -3.570 10.735 1.00 0.00 N ATOM 1539 CA GLN B 111 -0.554 -3.005 11.436 1.00 0.00 C ATOM 1540 C GLN B 111 0.623 -3.978 11.433 1.00 0.00 C ATOM 1541 O GLN B 111 1.777 -3.585 11.230 1.00 0.00 O ATOM 1542 CB GLN B 111 -0.935 -2.632 12.876 1.00 0.00 C ATOM 1543 CG GLN B 111 0.190 -2.074 13.723 1.00 0.00 C ATOM 1544 CD GLN B 111 -0.266 -1.665 15.119 1.00 0.00 C ATOM 1545 OE1 GLN B 111 -1.202 -2.246 15.701 1.00 0.00 O ATOM 1546 NE2 GLN B 111 0.368 -0.664 15.661 1.00 0.00 N ATOM 0 H GLN B 111 -2.551 -3.649 11.317 1.00 0.00 H new ATOM 0 HA GLN B 111 -0.244 -2.105 10.905 1.00 0.00 H new ATOM 0 HB2 GLN B 111 -1.740 -1.898 12.842 1.00 0.00 H new ATOM 0 HB3 GLN B 111 -1.333 -3.519 13.370 1.00 0.00 H new ATOM 0 HG2 GLN B 111 0.979 -2.821 13.808 1.00 0.00 H new ATOM 0 HG3 GLN B 111 0.623 -1.209 13.220 1.00 0.00 H new ATOM 0 HE21 GLN B 111 1.130 -0.210 15.157 1.00 0.00 H new ATOM 0 HE22 GLN B 111 0.102 -0.334 16.589 1.00 0.00 H new ATOM 1555 N ARG B 112 0.330 -5.237 11.610 1.00 0.00 N ATOM 1556 CA ARG B 112 1.359 -6.238 11.677 1.00 0.00 C ATOM 1557 C ARG B 112 1.901 -6.502 10.272 1.00 0.00 C ATOM 1558 O ARG B 112 3.100 -6.616 10.076 1.00 0.00 O ATOM 1559 CB ARG B 112 0.810 -7.506 12.323 1.00 0.00 C ATOM 1560 CG ARG B 112 1.849 -8.325 13.067 1.00 0.00 C ATOM 1561 CD ARG B 112 2.821 -8.945 12.124 1.00 0.00 C ATOM 1562 NE ARG B 112 3.957 -9.590 12.776 1.00 0.00 N ATOM 1563 CZ ARG B 112 4.920 -10.221 12.102 1.00 0.00 C ATOM 1564 NH1 ARG B 112 4.861 -10.261 10.785 1.00 0.00 N ATOM 1565 NH2 ARG B 112 5.927 -10.800 12.737 1.00 0.00 N ATOM 0 H ARG B 112 -0.619 -5.596 11.711 1.00 0.00 H new ATOM 0 HA ARG B 112 2.184 -5.886 12.297 1.00 0.00 H new ATOM 0 HB2 ARG B 112 0.015 -7.232 13.016 1.00 0.00 H new ATOM 0 HB3 ARG B 112 0.359 -8.128 11.550 1.00 0.00 H new ATOM 0 HG2 ARG B 112 2.380 -7.688 13.774 1.00 0.00 H new ATOM 0 HG3 ARG B 112 1.355 -9.103 13.648 1.00 0.00 H new ATOM 0 HD2 ARG B 112 2.299 -9.683 11.514 1.00 0.00 H new ATOM 0 HD3 ARG B 112 3.193 -8.177 11.446 1.00 0.00 H new ATOM 0 HE ARG B 112 4.017 -9.557 13.794 1.00 0.00 H new ATOM 0 HH11 ARG B 112 4.086 -9.813 10.295 1.00 0.00 H new ATOM 0 HH12 ARG B 112 5.590 -10.740 10.256 1.00 0.00 H new ATOM 0 HH21 ARG B 112 5.974 -10.767 13.755 1.00 0.00 H new ATOM 0 HH22 ARG B 112 6.656 -11.279 12.208 1.00 0.00 H new ATOM 1579 N LEU B 113 1.021 -6.577 9.308 1.00 0.00 N ATOM 1580 CA LEU B 113 1.426 -6.757 7.909 1.00 0.00 C ATOM 1581 C LEU B 113 2.240 -5.552 7.445 1.00 0.00 C ATOM 1582 O LEU B 113 3.198 -5.683 6.682 1.00 0.00 O ATOM 1583 CB LEU B 113 0.200 -6.939 7.012 1.00 0.00 C ATOM 1584 CG LEU B 113 -0.661 -8.172 7.282 1.00 0.00 C ATOM 1585 CD1 LEU B 113 -1.910 -8.135 6.427 1.00 0.00 C ATOM 1586 CD2 LEU B 113 0.126 -9.446 7.010 1.00 0.00 C ATOM 0 H LEU B 113 0.013 -6.518 9.451 1.00 0.00 H new ATOM 0 HA LEU B 113 2.041 -7.654 7.838 1.00 0.00 H new ATOM 0 HB2 LEU B 113 -0.429 -6.054 7.110 1.00 0.00 H new ATOM 0 HB3 LEU B 113 0.537 -6.978 5.976 1.00 0.00 H new ATOM 0 HG LEU B 113 -0.953 -8.166 8.332 1.00 0.00 H new ATOM 0 HD11 LEU B 113 -2.515 -9.019 6.629 1.00 0.00 H new ATOM 0 HD12 LEU B 113 -2.486 -7.240 6.662 1.00 0.00 H new ATOM 0 HD13 LEU B 113 -1.630 -8.120 5.374 1.00 0.00 H new ATOM 0 HD21 LEU B 113 -0.505 -10.313 7.208 1.00 0.00 H new ATOM 0 HD22 LEU B 113 0.446 -9.461 5.968 1.00 0.00 H new ATOM 0 HD23 LEU B 113 1.001 -9.478 7.659 1.00 0.00 H new ATOM 1598 N LYS B 114 1.860 -4.400 7.945 1.00 0.00 N ATOM 1599 CA LYS B 114 2.512 -3.145 7.674 1.00 0.00 C ATOM 1600 C LYS B 114 3.931 -3.182 8.169 1.00 0.00 C ATOM 1601 O LYS B 114 4.883 -2.875 7.439 1.00 0.00 O ATOM 1602 CB LYS B 114 1.767 -2.070 8.417 1.00 0.00 C ATOM 1603 CG LYS B 114 2.219 -0.678 8.141 1.00 0.00 C ATOM 1604 CD LYS B 114 1.324 0.302 8.829 1.00 0.00 C ATOM 1605 CE LYS B 114 1.654 0.478 10.304 1.00 0.00 C ATOM 1606 NZ LYS B 114 0.771 1.477 10.943 1.00 0.00 N ATOM 0 H LYS B 114 1.061 -4.310 8.573 1.00 0.00 H new ATOM 0 HA LYS B 114 2.516 -2.952 6.601 1.00 0.00 H new ATOM 0 HB2 LYS B 114 0.708 -2.147 8.170 1.00 0.00 H new ATOM 0 HB3 LYS B 114 1.859 -2.259 9.486 1.00 0.00 H new ATOM 0 HG2 LYS B 114 3.245 -0.547 8.483 1.00 0.00 H new ATOM 0 HG3 LYS B 114 2.215 -0.493 7.067 1.00 0.00 H new ATOM 0 HD2 LYS B 114 1.399 1.267 8.328 1.00 0.00 H new ATOM 0 HD3 LYS B 114 0.290 -0.028 8.731 1.00 0.00 H new ATOM 0 HE2 LYS B 114 1.553 -0.479 10.817 1.00 0.00 H new ATOM 0 HE3 LYS B 114 2.693 0.789 10.411 1.00 0.00 H new ATOM 0 HZ1 LYS B 114 0.966 1.510 11.964 1.00 0.00 H new ATOM 0 HZ2 LYS B 114 0.947 2.413 10.526 1.00 0.00 H new ATOM 0 HZ3 LYS B 114 -0.223 1.211 10.789 1.00 0.00 H new ATOM 1620 N ASN B 115 4.071 -3.580 9.407 1.00 0.00 N ATOM 1621 CA ASN B 115 5.353 -3.639 10.065 1.00 0.00 C ATOM 1622 C ASN B 115 6.187 -4.721 9.441 1.00 0.00 C ATOM 1623 O ASN B 115 7.404 -4.589 9.342 1.00 0.00 O ATOM 1624 CB ASN B 115 5.148 -3.769 11.605 1.00 0.00 C ATOM 1625 CG ASN B 115 4.911 -5.159 12.227 1.00 0.00 C ATOM 1626 OD1 ASN B 115 5.509 -6.172 11.847 1.00 0.00 O ATOM 1627 ND2 ASN B 115 4.005 -5.208 13.185 1.00 0.00 N ATOM 0 H ASN B 115 3.291 -3.876 9.994 1.00 0.00 H new ATOM 0 HA ASN B 115 5.916 -2.716 9.925 1.00 0.00 H new ATOM 0 HB2 ASN B 115 6.026 -3.341 12.088 1.00 0.00 H new ATOM 0 HB3 ASN B 115 4.298 -3.142 11.875 1.00 0.00 H new ATOM 0 HD21 ASN B 115 3.783 -6.098 13.632 1.00 0.00 H new ATOM 0 HD22 ASN B 115 3.527 -4.356 13.479 1.00 0.00 H new ATOM 1634 N GLU B 116 5.513 -5.758 8.965 1.00 0.00 N ATOM 1635 CA GLU B 116 6.168 -6.812 8.210 1.00 0.00 C ATOM 1636 C GLU B 116 6.759 -6.229 6.945 1.00 0.00 C ATOM 1637 O GLU B 116 7.913 -6.405 6.685 1.00 0.00 O ATOM 1638 CB GLU B 116 5.231 -7.948 7.817 1.00 0.00 C ATOM 1639 CG GLU B 116 5.988 -9.118 7.194 1.00 0.00 C ATOM 1640 CD GLU B 116 6.781 -9.896 8.216 1.00 0.00 C ATOM 1641 OE1 GLU B 116 7.876 -9.450 8.615 1.00 0.00 O ATOM 1642 OE2 GLU B 116 6.295 -10.952 8.670 1.00 0.00 O ATOM 0 H GLU B 116 4.509 -5.891 9.090 1.00 0.00 H new ATOM 0 HA GLU B 116 6.936 -7.228 8.863 1.00 0.00 H new ATOM 0 HB2 GLU B 116 4.689 -8.293 8.698 1.00 0.00 H new ATOM 0 HB3 GLU B 116 4.488 -7.578 7.110 1.00 0.00 H new ATOM 0 HG2 GLU B 116 5.280 -9.785 6.702 1.00 0.00 H new ATOM 0 HG3 GLU B 116 6.661 -8.743 6.423 1.00 0.00 H new ATOM 1649 N ARG B 117 5.944 -5.507 6.178 1.00 0.00 N ATOM 1650 CA ARG B 117 6.399 -4.864 4.932 1.00 0.00 C ATOM 1651 C ARG B 117 7.555 -3.946 5.174 1.00 0.00 C ATOM 1652 O ARG B 117 8.426 -3.799 4.324 1.00 0.00 O ATOM 1653 CB ARG B 117 5.353 -4.006 4.305 1.00 0.00 C ATOM 1654 CG ARG B 117 4.188 -4.678 3.683 1.00 0.00 C ATOM 1655 CD ARG B 117 3.393 -3.616 2.971 1.00 0.00 C ATOM 1656 NE ARG B 117 2.894 -2.597 3.904 1.00 0.00 N ATOM 1657 CZ ARG B 117 3.245 -1.302 3.965 1.00 0.00 C ATOM 1658 NH1 ARG B 117 4.244 -0.825 3.258 1.00 0.00 N ATOM 1659 NH2 ARG B 117 2.574 -0.488 4.716 1.00 0.00 N ATOM 0 H ARG B 117 4.960 -5.348 6.393 1.00 0.00 H new ATOM 0 HA ARG B 117 6.662 -5.698 4.282 1.00 0.00 H new ATOM 0 HB2 ARG B 117 4.978 -3.324 5.068 1.00 0.00 H new ATOM 0 HB3 ARG B 117 5.835 -3.396 3.541 1.00 0.00 H new ATOM 0 HG2 ARG B 117 4.515 -5.448 2.984 1.00 0.00 H new ATOM 0 HG3 ARG B 117 3.579 -5.173 4.440 1.00 0.00 H new ATOM 0 HD2 ARG B 117 4.016 -3.142 2.213 1.00 0.00 H new ATOM 0 HD3 ARG B 117 2.553 -4.077 2.451 1.00 0.00 H new ATOM 0 HE ARG B 117 2.201 -2.909 4.584 1.00 0.00 H new ATOM 0 HH11 ARG B 117 4.775 -1.443 2.644 1.00 0.00 H new ATOM 0 HH12 ARG B 117 4.489 0.163 3.323 1.00 0.00 H new ATOM 0 HH21 ARG B 117 1.782 -0.831 5.259 1.00 0.00 H new ATOM 0 HH22 ARG B 117 2.838 0.496 4.765 1.00 0.00 H new ATOM 1673 N HIS B 118 7.514 -3.280 6.292 1.00 0.00 N ATOM 1674 CA HIS B 118 8.553 -2.361 6.681 1.00 0.00 C ATOM 1675 C HIS B 118 9.850 -3.113 6.917 1.00 0.00 C ATOM 1676 O HIS B 118 10.919 -2.628 6.591 1.00 0.00 O ATOM 1677 CB HIS B 118 8.098 -1.532 7.893 1.00 0.00 C ATOM 1678 CG HIS B 118 7.076 -0.459 7.576 1.00 0.00 C ATOM 1679 ND1 HIS B 118 5.973 -0.233 8.345 1.00 0.00 N ATOM 1680 CD2 HIS B 118 6.970 0.420 6.539 1.00 0.00 C ATOM 1681 CE1 HIS B 118 5.239 0.704 7.787 1.00 0.00 C ATOM 1682 NE2 HIS B 118 5.827 1.111 6.706 1.00 0.00 N ATOM 0 H HIS B 118 6.753 -3.358 6.967 1.00 0.00 H new ATOM 0 HA HIS B 118 8.747 -1.652 5.876 1.00 0.00 H new ATOM 0 HB2 HIS B 118 7.678 -2.205 8.640 1.00 0.00 H new ATOM 0 HB3 HIS B 118 8.972 -1.061 8.343 1.00 0.00 H new ATOM 0 HD1 HIS B 118 5.752 -0.715 9.216 1.00 0.00 H new ATOM 0 HD2 HIS B 118 7.675 0.540 5.730 1.00 0.00 H new ATOM 0 HE1 HIS B 118 4.299 1.075 8.168 1.00 0.00 H new ATOM 1691 N GLU B 119 9.729 -4.313 7.442 1.00 0.00 N ATOM 1692 CA GLU B 119 10.854 -5.211 7.578 1.00 0.00 C ATOM 1693 C GLU B 119 11.248 -5.751 6.205 1.00 0.00 C ATOM 1694 O GLU B 119 12.390 -5.689 5.833 1.00 0.00 O ATOM 1695 CB GLU B 119 10.533 -6.373 8.520 1.00 0.00 C ATOM 1696 CG GLU B 119 10.241 -5.963 9.946 1.00 0.00 C ATOM 1697 CD GLU B 119 11.390 -5.228 10.571 1.00 0.00 C ATOM 1698 OE1 GLU B 119 12.394 -5.867 10.920 1.00 0.00 O ATOM 1699 OE2 GLU B 119 11.323 -3.981 10.704 1.00 0.00 O ATOM 0 H GLU B 119 8.847 -4.693 7.787 1.00 0.00 H new ATOM 0 HA GLU B 119 11.685 -4.651 8.008 1.00 0.00 H new ATOM 0 HB2 GLU B 119 9.672 -6.915 8.128 1.00 0.00 H new ATOM 0 HB3 GLU B 119 11.374 -7.067 8.520 1.00 0.00 H new ATOM 0 HG2 GLU B 119 9.353 -5.331 9.966 1.00 0.00 H new ATOM 0 HG3 GLU B 119 10.014 -6.850 10.538 1.00 0.00 H new ATOM 1706 N GLU B 120 10.266 -6.236 5.460 1.00 0.00 N ATOM 1707 CA GLU B 120 10.449 -6.799 4.104 1.00 0.00 C ATOM 1708 C GLU B 120 11.224 -5.846 3.197 1.00 0.00 C ATOM 1709 O GLU B 120 12.163 -6.260 2.520 1.00 0.00 O ATOM 1710 CB GLU B 120 9.086 -7.093 3.447 1.00 0.00 C ATOM 1711 CG GLU B 120 8.215 -8.150 4.134 1.00 0.00 C ATOM 1712 CD GLU B 120 8.704 -9.544 3.904 1.00 0.00 C ATOM 1713 OE1 GLU B 120 9.740 -9.936 4.474 1.00 0.00 O ATOM 1714 OE2 GLU B 120 8.068 -10.263 3.113 1.00 0.00 O ATOM 0 H GLU B 120 9.296 -6.256 5.775 1.00 0.00 H new ATOM 0 HA GLU B 120 11.017 -7.722 4.222 1.00 0.00 H new ATOM 0 HB2 GLU B 120 8.521 -6.162 3.400 1.00 0.00 H new ATOM 0 HB3 GLU B 120 9.263 -7.411 2.419 1.00 0.00 H new ATOM 0 HG2 GLU B 120 8.189 -7.952 5.205 1.00 0.00 H new ATOM 0 HG3 GLU B 120 7.192 -8.064 3.769 1.00 0.00 H new ATOM 1721 N ALA B 121 10.842 -4.579 3.206 1.00 0.00 N ATOM 1722 CA ALA B 121 11.476 -3.585 2.359 1.00 0.00 C ATOM 1723 C ALA B 121 12.891 -3.323 2.809 1.00 0.00 C ATOM 1724 O ALA B 121 13.790 -3.163 1.997 1.00 0.00 O ATOM 1725 CB ALA B 121 10.678 -2.295 2.342 1.00 0.00 C ATOM 0 H ALA B 121 10.092 -4.215 3.794 1.00 0.00 H new ATOM 0 HA ALA B 121 11.504 -3.981 1.344 1.00 0.00 H new ATOM 0 HB1 ALA B 121 11.175 -1.568 1.700 1.00 0.00 H new ATOM 0 HB2 ALA B 121 9.676 -2.492 1.959 1.00 0.00 H new ATOM 0 HB3 ALA B 121 10.608 -1.897 3.354 1.00 0.00 H new