USER MOD reduce.3.24.130724 H: found=0, std=0, add=1145, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 1148 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 125 SER OG : rot -159:sc= 0.933 USER MOD Set 1.2: A 127 ASN : amide:sc= 0.991 K(o=1.9,f=-0.0081) USER MOD Set 2.1: A 30 GLN : amide:sc= 1.5 K(o=3.9,f=2.1) USER MOD Set 2.2: A 75 TYR OH : rot 25:sc= 0.788 USER MOD Set 2.3: A 159 THR OG1 : rot 161:sc= 1.64 USER MOD Set 3.1: A 27 GLN :FLIP amide:sc= -1.4 F(o=-5.6,f=-3.7) USER MOD Set 3.2: A 163 ASN : amide:sc= -2.29 K(o=-3.7,f=-5.6!) USER MOD Single : A 21 THR OG1 : rot 180:sc= -0.379 USER MOD Single : A 31 GLN :FLIP amide:sc= 0 F(o=-0.51,f=0) USER MOD Single : A 35 MET CE :methyl 144:sc= -1.77 (180deg=-2.57!) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 66:sc= 0.996 USER MOD Single : A 41 MET CE :methyl -106:sc= -0.448 (180deg=-3.31!) USER MOD Single : A 54 MET CE :methyl -134:sc= 0 (180deg=-0.473) USER MOD Single : A 57 HIS : no HD1:sc= -0.42 X(o=-0.42,f=0.058) USER MOD Single : A 59 ASN : amide:sc= -0.041 K(o=-0.041,f=-1.1) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ -176:sc= 0.266 (180deg=0.212) USER MOD Single : A 73 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0632) USER MOD Single : A 77 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 80 LYS NZ :NH3+ -167:sc= 0.73 (180deg=0.14) USER MOD Single : A 85 ASN : amide:sc= -0.715! K(o=-0.72!,f=-2) USER MOD Single : A 88 CYS SG : rot -62:sc= 1.02 USER MOD Single : A 95 HIS :FLIP no HD1:sc= -0.023 F(o=-1.4,f=-0.023) USER MOD Single : A 96 ASN : amide:sc= 0 K(o=0,f=-0.8) USER MOD Single : A 97 LYS NZ :NH3+ -164:sc= -0.0795 (180deg=-0.378) USER MOD Single : A 98 MET CE :methyl -133:sc= -0.676 (180deg=-1.72) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 GLN : amide:sc= -0.482 X(o=-0.48,f=-0.19) USER MOD Single : A 108 SER OG : rot -41:sc= 0.728 USER MOD Single : A 109 HIS : no HE2:sc= 0.574 K(o=0.57,f=-2.4!) USER MOD Single : A 110 GLN :FLIP amide:sc= -1.4 F(o=-2.6!,f=-1.4) USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 114 GLN :FLIP amide:sc= -0.11 F(o=-0.82,f=-0.11) USER MOD Single : A 115 THR OG1 : rot -69:sc= -0.132 USER MOD Single : A 116 SER OG : rot 180:sc= -0.0148 USER MOD Single : A 117 HIS : no HD1:sc= 0.0269 X(o=0.027,f=-0.2) USER MOD Single : A 120 ASN : amide:sc= 0.0127 X(o=0.013,f=-0.47) USER MOD Single : A 122 CYS SG : rot 70:sc= 0.802 USER MOD Single : A 123 SER OG : rot -46:sc= 0.426 USER MOD Single : A 146 MET CE :methyl -155:sc= -0.179 (180deg=-0.805) USER MOD Single : A 149 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 150 THR OG1 : rot -73:sc= 0.461 USER MOD Single : A 156 LYS NZ :NH3+ 160:sc= 1.04 (180deg=0.729) USER MOD Single : A 157 GLN : amide:sc= -0.0186 X(o=-0.019,f=-0.02) USER MOD Single : A 160 THR OG1 : rot 76:sc= 0.569 USER MOD Single : A 161 THR OG1 : rot 79:sc= 1.03 USER MOD Single : A 164 THR OG1 : rot 180:sc= 0 USER MOD Single : A 165 ASN : amide:sc= -1.1! X(o=-1.1!,f=-0.84) USER MOD ----------------------------------------------------------------- ATOM 215 N ARG A 14 -0.475 12.163 13.916 1.00 25.45 N ATOM 216 CA ARG A 14 0.937 11.788 14.050 1.00 40.02 C ATOM 217 C ARG A 14 1.034 10.487 14.865 1.00 3.11 C ATOM 218 O ARG A 14 0.013 9.880 15.187 1.00 55.12 O ATOM 219 CB ARG A 14 1.696 12.905 14.784 1.00 73.14 C ATOM 220 CG ARG A 14 1.107 13.178 16.163 1.00 41.22 C ATOM 221 CD ARG A 14 1.685 14.408 16.846 1.00 30.20 C ATOM 222 NE ARG A 14 0.985 14.673 18.103 1.00 31.32 N ATOM 223 CZ ARG A 14 1.205 15.695 18.878 1.00 45.03 C ATOM 224 NH1 ARG A 14 2.121 16.565 18.591 1.00 32.22 N ATOM 225 NH2 ARG A 14 0.501 15.836 19.950 1.00 21.44 N ATOM 0 HA ARG A 14 1.374 11.641 13.062 1.00 40.02 H new ATOM 0 HB2 ARG A 14 2.745 12.626 14.885 1.00 73.14 H new ATOM 0 HB3 ARG A 14 1.665 13.817 14.188 1.00 73.14 H new ATOM 0 HG2 ARG A 14 0.028 13.300 16.069 1.00 41.22 H new ATOM 0 HG3 ARG A 14 1.276 12.308 16.798 1.00 41.22 H new ATOM 0 HD2 ARG A 14 2.747 14.258 17.039 1.00 30.20 H new ATOM 0 HD3 ARG A 14 1.599 15.271 16.186 1.00 30.20 H new ATOM 0 HE ARG A 14 0.270 14.006 18.394 1.00 31.32 H new ATOM 0 HH11 ARG A 14 2.683 16.455 17.747 1.00 32.22 H new ATOM 0 HH12 ARG A 14 2.281 17.360 19.209 1.00 32.22 H new ATOM 0 HH21 ARG A 14 -0.218 15.151 20.182 1.00 21.44 H new ATOM 0 HH22 ARG A 14 0.664 16.633 20.566 1.00 21.44 H new ATOM 239 N LEU A 15 2.247 10.059 15.210 1.00 71.05 N ATOM 240 CA LEU A 15 2.414 8.915 16.120 1.00 14.42 C ATOM 241 C LEU A 15 3.699 9.015 16.962 1.00 12.42 C ATOM 242 O LEU A 15 4.805 9.083 16.435 1.00 64.05 O ATOM 243 CB LEU A 15 2.337 7.570 15.355 1.00 52.53 C ATOM 244 CG LEU A 15 2.918 7.541 13.925 1.00 33.31 C ATOM 245 CD1 LEU A 15 4.433 7.710 13.919 1.00 73.01 C ATOM 246 CD2 LEU A 15 2.525 6.246 13.224 1.00 50.05 C ATOM 0 H LEU A 15 3.119 10.475 14.883 1.00 71.05 H new ATOM 0 HA LEU A 15 1.581 8.947 16.822 1.00 14.42 H new ATOM 0 HB2 LEU A 15 2.855 6.814 15.946 1.00 52.53 H new ATOM 0 HB3 LEU A 15 1.290 7.271 15.301 1.00 52.53 H new ATOM 0 HG LEU A 15 2.496 8.387 13.382 1.00 33.31 H new ATOM 0 HD11 LEU A 15 4.798 7.683 12.892 1.00 73.01 H new ATOM 0 HD12 LEU A 15 4.694 8.666 14.372 1.00 73.01 H new ATOM 0 HD13 LEU A 15 4.892 6.901 14.488 1.00 73.01 H new ATOM 0 HD21 LEU A 15 2.941 6.237 12.216 1.00 50.05 H new ATOM 0 HD22 LEU A 15 2.914 5.396 13.785 1.00 50.05 H new ATOM 0 HD23 LEU A 15 1.439 6.177 13.169 1.00 50.05 H new ATOM 258 N PHE A 16 3.539 9.044 18.284 1.00 24.13 N ATOM 259 CA PHE A 16 4.686 9.064 19.199 1.00 3.25 C ATOM 260 C PHE A 16 4.910 7.688 19.841 1.00 20.34 C ATOM 261 O PHE A 16 4.129 7.241 20.682 1.00 53.11 O ATOM 262 CB PHE A 16 4.507 10.134 20.289 1.00 11.51 C ATOM 263 CG PHE A 16 4.741 11.542 19.802 1.00 61.14 C ATOM 264 CD1 PHE A 16 5.940 11.884 19.189 1.00 72.21 C ATOM 265 CD2 PHE A 16 3.776 12.526 19.968 1.00 52.25 C ATOM 266 CE1 PHE A 16 6.168 13.174 18.750 1.00 51.15 C ATOM 267 CE2 PHE A 16 4.002 13.817 19.529 1.00 43.12 C ATOM 268 CZ PHE A 16 5.199 14.141 18.919 1.00 35.45 C ATOM 0 H PHE A 16 2.630 9.054 18.747 1.00 24.13 H new ATOM 0 HA PHE A 16 5.567 9.315 18.609 1.00 3.25 H new ATOM 0 HB2 PHE A 16 3.497 10.062 20.694 1.00 11.51 H new ATOM 0 HB3 PHE A 16 5.194 9.924 21.108 1.00 11.51 H new ATOM 0 HD1 PHE A 16 6.703 11.132 19.054 1.00 72.21 H new ATOM 0 HD2 PHE A 16 2.839 12.280 20.445 1.00 52.25 H new ATOM 0 HE1 PHE A 16 7.105 13.425 18.275 1.00 51.15 H new ATOM 0 HE2 PHE A 16 3.243 14.573 19.663 1.00 43.12 H new ATOM 0 HZ PHE A 16 5.375 15.150 18.575 1.00 35.45 H new ATOM 278 N LEU A 17 5.984 7.024 19.433 1.00 54.31 N ATOM 279 CA LEU A 17 6.355 5.718 19.982 1.00 22.51 C ATOM 280 C LEU A 17 7.875 5.532 19.936 1.00 22.42 C ATOM 281 O LEU A 17 8.581 6.317 19.303 1.00 60.12 O ATOM 282 CB LEU A 17 5.644 4.571 19.227 1.00 71.45 C ATOM 283 CG LEU A 17 6.022 4.378 17.740 1.00 32.14 C ATOM 284 CD1 LEU A 17 5.353 3.123 17.178 1.00 52.44 C ATOM 285 CD2 LEU A 17 5.637 5.601 16.909 1.00 72.24 C ATOM 0 H LEU A 17 6.622 7.370 18.716 1.00 54.31 H new ATOM 0 HA LEU A 17 6.030 5.685 21.022 1.00 22.51 H new ATOM 0 HB2 LEU A 17 5.849 3.639 19.754 1.00 71.45 H new ATOM 0 HB3 LEU A 17 4.569 4.741 19.285 1.00 71.45 H new ATOM 0 HG LEU A 17 7.104 4.257 17.682 1.00 32.14 H new ATOM 0 HD11 LEU A 17 5.629 3.002 16.131 1.00 52.44 H new ATOM 0 HD12 LEU A 17 5.682 2.251 17.743 1.00 52.44 H new ATOM 0 HD13 LEU A 17 4.270 3.221 17.259 1.00 52.44 H new ATOM 0 HD21 LEU A 17 5.915 5.436 15.868 1.00 72.24 H new ATOM 0 HD22 LEU A 17 4.561 5.762 16.976 1.00 72.24 H new ATOM 0 HD23 LEU A 17 6.160 6.479 17.289 1.00 72.24 H new ATOM 297 N ASP A 18 8.371 4.502 20.615 1.00 44.24 N ATOM 298 CA ASP A 18 9.809 4.227 20.663 1.00 20.52 C ATOM 299 C ASP A 18 10.394 3.981 19.263 1.00 12.14 C ATOM 300 O ASP A 18 9.782 3.294 18.444 1.00 10.43 O ATOM 301 CB ASP A 18 10.073 3.008 21.542 1.00 10.52 C ATOM 302 CG ASP A 18 9.566 3.209 22.953 1.00 74.24 C ATOM 303 OD1 ASP A 18 10.333 3.735 23.785 1.00 51.40 O ATOM 304 OD2 ASP A 18 8.402 2.847 23.230 1.00 53.11 O ATOM 0 H ASP A 18 7.800 3.841 21.141 1.00 44.24 H new ATOM 0 HA ASP A 18 10.297 5.107 21.082 1.00 20.52 H new ATOM 0 HB2 ASP A 18 9.591 2.134 21.104 1.00 10.52 H new ATOM 0 HB3 ASP A 18 11.143 2.803 21.567 1.00 10.52 H new ATOM 309 N PRO A 19 11.597 4.524 18.976 1.00 63.22 N ATOM 310 CA PRO A 19 12.274 4.304 17.685 1.00 72.11 C ATOM 311 C PRO A 19 12.504 2.807 17.404 1.00 31.22 C ATOM 312 O PRO A 19 12.388 2.353 16.267 1.00 35.22 O ATOM 313 CB PRO A 19 13.605 5.069 17.838 1.00 63.33 C ATOM 314 CG PRO A 19 13.774 5.281 19.308 1.00 53.53 C ATOM 315 CD PRO A 19 12.384 5.393 19.869 1.00 60.32 C ATOM 0 HA PRO A 19 11.683 4.653 16.838 1.00 72.11 H new ATOM 0 HB2 PRO A 19 14.436 4.497 17.425 1.00 63.33 H new ATOM 0 HB3 PRO A 19 13.576 6.019 17.305 1.00 63.33 H new ATOM 0 HG2 PRO A 19 14.313 4.450 19.763 1.00 53.53 H new ATOM 0 HG3 PRO A 19 14.351 6.184 19.509 1.00 53.53 H new ATOM 0 HD2 PRO A 19 12.338 5.056 20.904 1.00 60.32 H new ATOM 0 HD3 PRO A 19 12.023 6.422 19.853 1.00 60.32 H new ATOM 323 N ASP A 20 12.820 2.050 18.457 1.00 22.34 N ATOM 324 CA ASP A 20 12.918 0.587 18.377 1.00 22.14 C ATOM 325 C ASP A 20 11.571 -0.033 17.961 1.00 23.03 C ATOM 326 O ASP A 20 11.503 -0.867 17.056 1.00 12.34 O ATOM 327 CB ASP A 20 13.333 0.015 19.742 1.00 61.55 C ATOM 328 CG ASP A 20 14.673 0.537 20.231 1.00 24.43 C ATOM 329 OD1 ASP A 20 14.853 1.773 20.279 1.00 24.24 O ATOM 330 OD2 ASP A 20 15.543 -0.284 20.592 1.00 23.54 O ATOM 0 H ASP A 20 13.014 2.428 19.384 1.00 22.34 H new ATOM 0 HA ASP A 20 13.668 0.339 17.626 1.00 22.14 H new ATOM 0 HB2 ASP A 20 12.566 0.257 20.478 1.00 61.55 H new ATOM 0 HB3 ASP A 20 13.377 -1.072 19.674 1.00 61.55 H new ATOM 335 N THR A 21 10.500 0.395 18.636 1.00 41.44 N ATOM 336 CA THR A 21 9.152 -0.144 18.399 1.00 74.44 C ATOM 337 C THR A 21 8.634 0.212 16.999 1.00 72.14 C ATOM 338 O THR A 21 8.036 -0.621 16.319 1.00 45.24 O ATOM 339 CB THR A 21 8.134 0.374 19.455 1.00 42.44 C ATOM 340 OG1 THR A 21 8.571 0.029 20.781 1.00 24.21 O ATOM 341 CG2 THR A 21 6.741 -0.208 19.215 1.00 20.12 C ATOM 0 H THR A 21 10.538 1.117 19.355 1.00 41.44 H new ATOM 0 HA THR A 21 9.240 -1.227 18.483 1.00 74.44 H new ATOM 0 HB THR A 21 8.081 1.458 19.357 1.00 42.44 H new ATOM 0 HG1 THR A 21 7.923 0.362 21.436 1.00 24.21 H new ATOM 0 HG21 THR A 21 6.053 0.173 19.969 1.00 20.12 H new ATOM 0 HG22 THR A 21 6.391 0.083 18.224 1.00 20.12 H new ATOM 0 HG23 THR A 21 6.785 -1.295 19.280 1.00 20.12 H new ATOM 349 N ALA A 22 8.874 1.447 16.572 1.00 32.13 N ATOM 350 CA ALA A 22 8.397 1.929 15.271 1.00 22.14 C ATOM 351 C ALA A 22 8.895 1.045 14.115 1.00 63.43 C ATOM 352 O ALA A 22 8.163 0.787 13.155 1.00 75.12 O ATOM 353 CB ALA A 22 8.829 3.378 15.068 1.00 53.33 C ATOM 0 H ALA A 22 9.398 2.139 17.107 1.00 32.13 H new ATOM 0 HA ALA A 22 7.308 1.875 15.269 1.00 22.14 H new ATOM 0 HB1 ALA A 22 8.473 3.732 14.101 1.00 53.33 H new ATOM 0 HB2 ALA A 22 8.407 3.998 15.859 1.00 53.33 H new ATOM 0 HB3 ALA A 22 9.917 3.441 15.099 1.00 53.33 H new ATOM 359 N ILE A 23 10.136 0.569 14.232 1.00 4.15 N ATOM 360 CA ILE A 23 10.735 -0.304 13.215 1.00 31.21 C ATOM 361 C ILE A 23 9.899 -1.572 12.988 1.00 43.44 C ATOM 362 O ILE A 23 9.462 -1.838 11.867 1.00 34.04 O ATOM 363 CB ILE A 23 12.185 -0.698 13.596 1.00 54.31 C ATOM 364 CG1 ILE A 23 13.057 0.563 13.721 1.00 60.14 C ATOM 365 CG2 ILE A 23 12.778 -1.667 12.569 1.00 21.12 C ATOM 366 CD1 ILE A 23 14.477 0.289 14.171 1.00 53.24 C ATOM 0 H ILE A 23 10.749 0.773 15.022 1.00 4.15 H new ATOM 0 HA ILE A 23 10.755 0.266 12.286 1.00 31.21 H new ATOM 0 HB ILE A 23 12.163 -1.207 14.560 1.00 54.31 H new ATOM 0 HG12 ILE A 23 13.084 1.070 12.757 1.00 60.14 H new ATOM 0 HG13 ILE A 23 12.588 1.247 14.428 1.00 60.14 H new ATOM 0 HG21 ILE A 23 13.796 -1.927 12.860 1.00 21.12 H new ATOM 0 HG22 ILE A 23 12.170 -2.571 12.528 1.00 21.12 H new ATOM 0 HG23 ILE A 23 12.791 -1.194 11.587 1.00 21.12 H new ATOM 0 HD11 ILE A 23 15.026 1.228 14.234 1.00 53.24 H new ATOM 0 HD12 ILE A 23 14.462 -0.190 15.150 1.00 53.24 H new ATOM 0 HD13 ILE A 23 14.966 -0.369 13.453 1.00 53.24 H new ATOM 378 N GLU A 24 9.658 -2.344 14.048 1.00 53.21 N ATOM 379 CA GLU A 24 8.881 -3.582 13.921 1.00 72.34 C ATOM 380 C GLU A 24 7.462 -3.296 13.407 1.00 0.04 C ATOM 381 O GLU A 24 6.940 -4.026 12.569 1.00 45.30 O ATOM 382 CB GLU A 24 8.807 -4.337 15.257 1.00 5.21 C ATOM 383 CG GLU A 24 7.997 -3.624 16.333 1.00 32.42 C ATOM 384 CD GLU A 24 7.638 -4.534 17.491 1.00 3.43 C ATOM 385 OE1 GLU A 24 6.605 -5.231 17.403 1.00 24.45 O ATOM 386 OE2 GLU A 24 8.383 -4.563 18.487 1.00 75.03 O ATOM 0 H GLU A 24 9.984 -2.140 14.993 1.00 53.21 H new ATOM 0 HA GLU A 24 9.397 -4.211 13.196 1.00 72.34 H new ATOM 0 HB2 GLU A 24 8.371 -5.321 15.082 1.00 5.21 H new ATOM 0 HB3 GLU A 24 9.820 -4.498 15.627 1.00 5.21 H new ATOM 0 HG2 GLU A 24 8.566 -2.773 16.707 1.00 32.42 H new ATOM 0 HG3 GLU A 24 7.083 -3.227 15.891 1.00 32.42 H new ATOM 393 N ARG A 25 6.851 -2.223 13.914 1.00 54.31 N ATOM 394 CA ARG A 25 5.507 -1.810 13.490 1.00 61.03 C ATOM 395 C ARG A 25 5.436 -1.657 11.963 1.00 52.10 C ATOM 396 O ARG A 25 4.536 -2.189 11.307 1.00 12.23 O ATOM 397 CB ARG A 25 5.137 -0.467 14.140 1.00 62.34 C ATOM 398 CG ARG A 25 5.146 -0.463 15.669 1.00 2.14 C ATOM 399 CD ARG A 25 3.795 -0.839 16.272 1.00 22.23 C ATOM 400 NE ARG A 25 3.387 -2.209 15.961 1.00 62.32 N ATOM 401 CZ ARG A 25 3.841 -3.270 16.574 1.00 52.42 C ATOM 402 NH1 ARG A 25 4.768 -3.175 17.474 1.00 4.21 N ATOM 403 NH2 ARG A 25 3.365 -4.434 16.287 1.00 3.42 N ATOM 0 H ARG A 25 7.267 -1.620 14.623 1.00 54.31 H new ATOM 0 HA ARG A 25 4.806 -2.583 13.805 1.00 61.03 H new ATOM 0 HB2 ARG A 25 5.832 0.294 13.786 1.00 62.34 H new ATOM 0 HB3 ARG A 25 4.144 -0.176 13.797 1.00 62.34 H new ATOM 0 HG2 ARG A 25 5.904 -1.161 16.025 1.00 2.14 H new ATOM 0 HG3 ARG A 25 5.433 0.527 16.023 1.00 2.14 H new ATOM 0 HD2 ARG A 25 3.841 -0.717 17.354 1.00 22.23 H new ATOM 0 HD3 ARG A 25 3.036 -0.148 15.905 1.00 22.23 H new ATOM 0 HE ARG A 25 2.703 -2.345 15.217 1.00 62.32 H new ATOM 0 HH11 ARG A 25 5.155 -2.262 17.714 1.00 4.21 H new ATOM 0 HH12 ARG A 25 5.111 -4.013 17.943 1.00 4.21 H new ATOM 0 HH21 ARG A 25 2.634 -4.526 15.581 1.00 3.42 H new ATOM 0 HH22 ARG A 25 3.719 -5.262 16.766 1.00 3.42 H new ATOM 417 N LEU A 26 6.398 -0.923 11.413 1.00 13.14 N ATOM 418 CA LEU A 26 6.458 -0.662 9.975 1.00 61.23 C ATOM 419 C LEU A 26 6.829 -1.936 9.193 1.00 2.20 C ATOM 420 O LEU A 26 6.309 -2.186 8.102 1.00 23.24 O ATOM 421 CB LEU A 26 7.469 0.460 9.704 1.00 53.33 C ATOM 422 CG LEU A 26 7.463 1.036 8.282 1.00 5.32 C ATOM 423 CD1 LEU A 26 6.072 1.547 7.912 1.00 44.23 C ATOM 424 CD2 LEU A 26 8.498 2.152 8.162 1.00 41.13 C ATOM 0 H LEU A 26 7.155 -0.494 11.946 1.00 13.14 H new ATOM 0 HA LEU A 26 5.472 -0.347 9.632 1.00 61.23 H new ATOM 0 HB2 LEU A 26 7.278 1.272 10.405 1.00 53.33 H new ATOM 0 HB3 LEU A 26 8.469 0.082 9.918 1.00 53.33 H new ATOM 0 HG LEU A 26 7.727 0.241 7.584 1.00 5.32 H new ATOM 0 HD11 LEU A 26 6.090 1.951 6.900 1.00 44.23 H new ATOM 0 HD12 LEU A 26 5.357 0.725 7.962 1.00 44.23 H new ATOM 0 HD13 LEU A 26 5.774 2.330 8.610 1.00 44.23 H new ATOM 0 HD21 LEU A 26 8.485 2.553 7.149 1.00 41.13 H new ATOM 0 HD22 LEU A 26 8.260 2.946 8.870 1.00 41.13 H new ATOM 0 HD23 LEU A 26 9.489 1.754 8.382 1.00 41.13 H new ATOM 436 N GLN A 27 7.720 -2.745 9.768 1.00 24.41 N ATOM 437 CA GLN A 27 8.112 -4.030 9.170 1.00 54.53 C ATOM 438 C GLN A 27 6.897 -4.956 8.990 1.00 42.14 C ATOM 439 O GLN A 27 6.712 -5.563 7.931 1.00 63.41 O ATOM 440 CB GLN A 27 9.171 -4.721 10.046 1.00 11.32 C ATOM 441 CG GLN A 27 10.528 -4.018 10.070 1.00 23.52 C ATOM 442 CD GLN A 27 11.278 -4.122 8.752 1.00 43.24 C ATOM 443 OE1 GLN A 27 12.147 -3.169 8.483 1.00 43.45 O flip ATOM 444 NE2 GLN A 27 11.101 -5.069 7.993 1.00 54.31 N flip ATOM 0 H GLN A 27 8.187 -2.535 10.650 1.00 24.41 H new ATOM 0 HA GLN A 27 8.534 -3.827 8.186 1.00 54.53 H new ATOM 0 HB2 GLN A 27 8.793 -4.789 11.066 1.00 11.32 H new ATOM 0 HB3 GLN A 27 9.310 -5.741 9.689 1.00 11.32 H new ATOM 0 HG2 GLN A 27 10.381 -2.966 10.315 1.00 23.52 H new ATOM 0 HG3 GLN A 27 11.139 -4.448 10.864 1.00 23.52 H new ATOM 0 HE21 GLN A 27 10.421 -5.791 8.229 1.00 54.31 H new ATOM 0 HE22 GLN A 27 11.634 -5.134 7.126 1.00 54.31 H new ATOM 453 N ARG A 28 6.067 -5.052 10.032 1.00 43.15 N ATOM 454 CA ARG A 28 4.860 -5.886 9.987 1.00 12.12 C ATOM 455 C ARG A 28 3.919 -5.446 8.857 1.00 50.05 C ATOM 456 O ARG A 28 3.332 -6.280 8.164 1.00 71.43 O ATOM 457 CB ARG A 28 4.104 -5.832 11.323 1.00 0.20 C ATOM 458 CG ARG A 28 4.928 -6.252 12.537 1.00 42.34 C ATOM 459 CD ARG A 28 4.055 -6.407 13.779 1.00 3.43 C ATOM 460 NE ARG A 28 4.831 -6.707 14.984 1.00 45.32 N ATOM 461 CZ ARG A 28 4.374 -7.397 15.997 1.00 52.02 C ATOM 462 NH1 ARG A 28 3.187 -7.914 15.966 1.00 54.45 N ATOM 463 NH2 ARG A 28 5.105 -7.567 17.047 1.00 3.21 N ATOM 0 H ARG A 28 6.207 -4.564 10.917 1.00 43.15 H new ATOM 0 HA ARG A 28 5.185 -6.909 9.798 1.00 12.12 H new ATOM 0 HB2 ARG A 28 3.742 -4.816 11.480 1.00 0.20 H new ATOM 0 HB3 ARG A 28 3.227 -6.476 11.255 1.00 0.20 H new ATOM 0 HG2 ARG A 28 5.434 -7.194 12.326 1.00 42.34 H new ATOM 0 HG3 ARG A 28 5.703 -5.510 12.726 1.00 42.34 H new ATOM 0 HD2 ARG A 28 3.489 -5.489 13.936 1.00 3.43 H new ATOM 0 HD3 ARG A 28 3.330 -7.204 13.611 1.00 3.43 H new ATOM 0 HE ARG A 28 5.787 -6.356 15.037 1.00 45.32 H new ATOM 0 HH11 ARG A 28 2.596 -7.785 15.145 1.00 54.45 H new ATOM 0 HH12 ARG A 28 2.843 -8.450 16.763 1.00 54.45 H new ATOM 0 HH21 ARG A 28 6.041 -7.163 17.088 1.00 3.21 H new ATOM 0 HH22 ARG A 28 4.747 -8.105 17.836 1.00 3.21 H new ATOM 477 N LEU A 29 3.779 -4.131 8.684 1.00 53.12 N ATOM 478 CA LEU A 29 2.926 -3.570 7.630 1.00 52.42 C ATOM 479 C LEU A 29 3.468 -3.901 6.230 1.00 63.04 C ATOM 480 O LEU A 29 2.704 -4.256 5.330 1.00 31.41 O ATOM 481 CB LEU A 29 2.802 -2.050 7.799 1.00 0.12 C ATOM 482 CG LEU A 29 2.143 -1.589 9.111 1.00 52.22 C ATOM 483 CD1 LEU A 29 2.125 -0.066 9.199 1.00 13.42 C ATOM 484 CD2 LEU A 29 0.729 -2.156 9.233 1.00 62.33 C ATOM 0 H LEU A 29 4.246 -3.431 9.261 1.00 53.12 H new ATOM 0 HA LEU A 29 1.940 -4.024 7.725 1.00 52.42 H new ATOM 0 HB2 LEU A 29 3.798 -1.611 7.737 1.00 0.12 H new ATOM 0 HB3 LEU A 29 2.226 -1.653 6.963 1.00 0.12 H new ATOM 0 HG LEU A 29 2.735 -1.970 9.943 1.00 52.22 H new ATOM 0 HD11 LEU A 29 1.655 0.239 10.134 1.00 13.42 H new ATOM 0 HD12 LEU A 29 3.147 0.312 9.166 1.00 13.42 H new ATOM 0 HD13 LEU A 29 1.560 0.340 8.360 1.00 13.42 H new ATOM 0 HD21 LEU A 29 0.281 -1.818 10.167 1.00 62.33 H new ATOM 0 HD22 LEU A 29 0.125 -1.810 8.395 1.00 62.33 H new ATOM 0 HD23 LEU A 29 0.772 -3.245 9.224 1.00 62.33 H new ATOM 496 N GLN A 30 4.786 -3.781 6.057 1.00 45.33 N ATOM 497 CA GLN A 30 5.448 -4.144 4.793 1.00 43.42 C ATOM 498 C GLN A 30 5.097 -5.584 4.380 1.00 32.35 C ATOM 499 O GLN A 30 4.589 -5.824 3.282 1.00 34.21 O ATOM 500 CB GLN A 30 6.975 -3.997 4.937 1.00 22.55 C ATOM 501 CG GLN A 30 7.775 -4.473 3.723 1.00 10.41 C ATOM 502 CD GLN A 30 7.532 -3.642 2.473 1.00 71.13 C ATOM 503 OE1 GLN A 30 7.265 -2.448 2.542 1.00 12.12 O ATOM 504 NE2 GLN A 30 7.641 -4.266 1.318 1.00 43.41 N ATOM 0 H GLN A 30 5.421 -3.435 6.776 1.00 45.33 H new ATOM 0 HA GLN A 30 5.092 -3.468 4.015 1.00 43.42 H new ATOM 0 HB2 GLN A 30 7.211 -2.949 5.123 1.00 22.55 H new ATOM 0 HB3 GLN A 30 7.300 -4.558 5.813 1.00 22.55 H new ATOM 0 HG2 GLN A 30 8.837 -4.448 3.965 1.00 10.41 H new ATOM 0 HG3 GLN A 30 7.520 -5.512 3.514 1.00 10.41 H new ATOM 0 HE21 GLN A 30 7.864 -5.261 1.295 1.00 43.41 H new ATOM 0 HE22 GLN A 30 7.502 -3.754 0.447 1.00 43.41 H new ATOM 513 N GLN A 31 5.354 -6.534 5.279 1.00 2.14 N ATOM 514 CA GLN A 31 5.066 -7.951 5.017 1.00 44.30 C ATOM 515 C GLN A 31 3.558 -8.191 4.822 1.00 52.34 C ATOM 516 O GLN A 31 3.149 -8.966 3.957 1.00 71.13 O ATOM 517 CB GLN A 31 5.590 -8.829 6.165 1.00 43.30 C ATOM 518 CG GLN A 31 7.062 -8.597 6.503 1.00 75.32 C ATOM 519 CD GLN A 31 8.005 -8.818 5.326 1.00 32.34 C ATOM 520 OE1 GLN A 31 7.679 -9.748 4.447 1.00 72.12 O flip ATOM 521 NE2 GLN A 31 9.040 -8.167 5.218 1.00 32.31 N flip ATOM 0 H GLN A 31 5.761 -6.352 6.196 1.00 2.14 H new ATOM 0 HA GLN A 31 5.578 -8.225 4.094 1.00 44.30 H new ATOM 0 HB2 GLN A 31 4.990 -8.642 7.055 1.00 43.30 H new ATOM 0 HB3 GLN A 31 5.449 -9.877 5.900 1.00 43.30 H new ATOM 0 HG2 GLN A 31 7.185 -7.578 6.869 1.00 75.32 H new ATOM 0 HG3 GLN A 31 7.348 -9.264 7.316 1.00 75.32 H new ATOM 0 HE21 GLN A 31 9.269 -7.454 5.911 1.00 32.31 H new ATOM 0 HE22 GLN A 31 9.671 -8.339 4.435 1.00 32.31 H new ATOM 530 N ALA A 32 2.738 -7.517 5.633 1.00 63.33 N ATOM 531 CA ALA A 32 1.276 -7.624 5.528 1.00 53.24 C ATOM 532 C ALA A 32 0.782 -7.193 4.139 1.00 64.22 C ATOM 533 O ALA A 32 -0.083 -7.842 3.542 1.00 65.31 O ATOM 534 CB ALA A 32 0.604 -6.790 6.618 1.00 74.13 C ATOM 0 H ALA A 32 3.060 -6.890 6.371 1.00 63.33 H new ATOM 0 HA ALA A 32 1.004 -8.670 5.667 1.00 53.24 H new ATOM 0 HB1 ALA A 32 -0.479 -6.878 6.528 1.00 74.13 H new ATOM 0 HB2 ALA A 32 0.918 -7.151 7.598 1.00 74.13 H new ATOM 0 HB3 ALA A 32 0.893 -5.745 6.507 1.00 74.13 H new ATOM 540 N LEU A 33 1.344 -6.100 3.633 1.00 73.44 N ATOM 541 CA LEU A 33 1.029 -5.612 2.290 1.00 20.24 C ATOM 542 C LEU A 33 1.406 -6.653 1.223 1.00 34.45 C ATOM 543 O LEU A 33 0.623 -6.939 0.314 1.00 23.14 O ATOM 544 CB LEU A 33 1.766 -4.290 2.029 1.00 44.04 C ATOM 545 CG LEU A 33 1.517 -3.649 0.653 1.00 63.22 C ATOM 546 CD1 LEU A 33 0.034 -3.344 0.452 1.00 31.54 C ATOM 547 CD2 LEU A 33 2.359 -2.384 0.490 1.00 64.33 C ATOM 0 H LEU A 33 2.025 -5.530 4.135 1.00 73.44 H new ATOM 0 HA LEU A 33 -0.046 -5.441 2.228 1.00 20.24 H new ATOM 0 HB2 LEU A 33 1.477 -3.576 2.800 1.00 44.04 H new ATOM 0 HB3 LEU A 33 2.836 -4.464 2.140 1.00 44.04 H new ATOM 0 HG LEU A 33 1.819 -4.363 -0.114 1.00 63.22 H new ATOM 0 HD11 LEU A 33 -0.115 -2.891 -0.528 1.00 31.54 H new ATOM 0 HD12 LEU A 33 -0.540 -4.269 0.516 1.00 31.54 H new ATOM 0 HD13 LEU A 33 -0.304 -2.654 1.225 1.00 31.54 H new ATOM 0 HD21 LEU A 33 2.170 -1.945 -0.489 1.00 64.33 H new ATOM 0 HD22 LEU A 33 2.093 -1.667 1.267 1.00 64.33 H new ATOM 0 HD23 LEU A 33 3.416 -2.637 0.576 1.00 64.33 H new ATOM 559 N GLU A 34 2.604 -7.226 1.349 1.00 21.12 N ATOM 560 CA GLU A 34 3.071 -8.257 0.416 1.00 72.00 C ATOM 561 C GLU A 34 2.154 -9.493 0.430 1.00 33.24 C ATOM 562 O GLU A 34 1.947 -10.130 -0.603 1.00 73.53 O ATOM 563 CB GLU A 34 4.518 -8.661 0.735 1.00 13.33 C ATOM 564 CG GLU A 34 5.509 -7.504 0.642 1.00 10.34 C ATOM 565 CD GLU A 34 6.958 -7.953 0.756 1.00 52.33 C ATOM 566 OE1 GLU A 34 7.378 -8.357 1.857 1.00 13.31 O ATOM 567 OE2 GLU A 34 7.688 -7.894 -0.256 1.00 10.40 O ATOM 0 H GLU A 34 3.269 -6.995 2.087 1.00 21.12 H new ATOM 0 HA GLU A 34 3.038 -7.830 -0.586 1.00 72.00 H new ATOM 0 HB2 GLU A 34 4.556 -9.081 1.740 1.00 13.33 H new ATOM 0 HB3 GLU A 34 4.826 -9.449 0.048 1.00 13.33 H new ATOM 0 HG2 GLU A 34 5.368 -6.987 -0.307 1.00 10.34 H new ATOM 0 HG3 GLU A 34 5.294 -6.784 1.432 1.00 10.34 H new ATOM 574 N MET A 35 1.597 -9.827 1.598 1.00 43.40 N ATOM 575 CA MET A 35 0.636 -10.935 1.700 1.00 1.04 C ATOM 576 C MET A 35 -0.654 -10.616 0.926 1.00 1.31 C ATOM 577 O MET A 35 -1.212 -11.476 0.238 1.00 62.53 O ATOM 578 CB MET A 35 0.302 -11.249 3.166 1.00 24.13 C ATOM 579 CG MET A 35 1.501 -11.687 3.999 1.00 2.10 C ATOM 580 SD MET A 35 1.021 -12.442 5.568 1.00 63.21 S ATOM 581 CE MET A 35 0.064 -11.128 6.319 1.00 12.42 C ATOM 0 H MET A 35 1.791 -9.353 2.480 1.00 43.40 H new ATOM 0 HA MET A 35 1.104 -11.814 1.257 1.00 1.04 H new ATOM 0 HB2 MET A 35 -0.141 -10.364 3.624 1.00 24.13 H new ATOM 0 HB3 MET A 35 -0.453 -12.035 3.195 1.00 24.13 H new ATOM 0 HG2 MET A 35 2.096 -12.398 3.426 1.00 2.10 H new ATOM 0 HG3 MET A 35 2.137 -10.824 4.195 1.00 2.10 H new ATOM 0 HE1 MET A 35 -0.766 -11.557 6.880 1.00 12.42 H new ATOM 0 HE2 MET A 35 0.700 -10.555 6.994 1.00 12.42 H new ATOM 0 HE3 MET A 35 -0.325 -10.471 5.541 1.00 12.42 H new ATOM 591 N GLY A 36 -1.124 -9.374 1.041 1.00 53.32 N ATOM 592 CA GLY A 36 -2.294 -8.942 0.281 1.00 32.53 C ATOM 593 C GLY A 36 -2.052 -8.965 -1.226 1.00 34.03 C ATOM 594 O GLY A 36 -2.878 -9.467 -1.994 1.00 4.01 O ATOM 0 H GLY A 36 -0.718 -8.659 1.645 1.00 53.32 H new ATOM 0 HA2 GLY A 36 -3.138 -9.589 0.520 1.00 32.53 H new ATOM 0 HA3 GLY A 36 -2.569 -7.933 0.586 1.00 32.53 H new ATOM 598 N VAL A 37 -0.910 -8.427 -1.643 1.00 74.11 N ATOM 599 CA VAL A 37 -0.501 -8.451 -3.049 1.00 33.24 C ATOM 600 C VAL A 37 -0.347 -9.895 -3.561 1.00 12.11 C ATOM 601 O VAL A 37 -0.787 -10.227 -4.664 1.00 32.21 O ATOM 602 CB VAL A 37 0.830 -7.681 -3.249 1.00 53.43 C ATOM 603 CG1 VAL A 37 1.285 -7.738 -4.704 1.00 54.24 C ATOM 604 CG2 VAL A 37 0.680 -6.232 -2.787 1.00 72.51 C ATOM 0 H VAL A 37 -0.244 -7.965 -1.024 1.00 74.11 H new ATOM 0 HA VAL A 37 -1.286 -7.960 -3.625 1.00 33.24 H new ATOM 0 HB VAL A 37 1.596 -8.163 -2.641 1.00 53.43 H new ATOM 0 HG11 VAL A 37 2.221 -7.190 -4.814 1.00 54.24 H new ATOM 0 HG12 VAL A 37 1.436 -8.777 -4.997 1.00 54.24 H new ATOM 0 HG13 VAL A 37 0.524 -7.288 -5.341 1.00 54.24 H new ATOM 0 HG21 VAL A 37 1.622 -5.704 -2.933 1.00 72.51 H new ATOM 0 HG22 VAL A 37 -0.103 -5.744 -3.367 1.00 72.51 H new ATOM 0 HG23 VAL A 37 0.414 -6.213 -1.730 1.00 72.51 H new ATOM 614 N SER A 38 0.269 -10.751 -2.743 1.00 0.41 N ATOM 615 CA SER A 38 0.428 -12.176 -3.078 1.00 52.13 C ATOM 616 C SER A 38 -0.934 -12.847 -3.293 1.00 32.43 C ATOM 617 O SER A 38 -1.114 -13.632 -4.224 1.00 73.01 O ATOM 618 CB SER A 38 1.197 -12.911 -1.971 1.00 32.04 C ATOM 619 OG SER A 38 1.282 -14.304 -2.232 1.00 12.12 O ATOM 0 H SER A 38 0.668 -10.486 -1.842 1.00 0.41 H new ATOM 0 HA SER A 38 0.997 -12.235 -4.006 1.00 52.13 H new ATOM 0 HB2 SER A 38 2.200 -12.494 -1.886 1.00 32.04 H new ATOM 0 HB3 SER A 38 0.702 -12.749 -1.014 1.00 32.04 H new ATOM 0 HG SER A 38 1.779 -14.742 -1.510 1.00 12.12 H new ATOM 625 N SER A 39 -1.894 -12.516 -2.430 1.00 73.43 N ATOM 626 CA SER A 39 -3.274 -13.013 -2.564 1.00 73.23 C ATOM 627 C SER A 39 -3.838 -12.707 -3.958 1.00 3.11 C ATOM 628 O SER A 39 -4.471 -13.557 -4.589 1.00 41.14 O ATOM 629 CB SER A 39 -4.176 -12.382 -1.492 1.00 73.10 C ATOM 630 OG SER A 39 -3.726 -12.708 -0.183 1.00 15.24 O ATOM 0 H SER A 39 -1.747 -11.905 -1.627 1.00 73.43 H new ATOM 0 HA SER A 39 -3.254 -14.094 -2.427 1.00 73.23 H new ATOM 0 HB2 SER A 39 -4.189 -11.299 -1.616 1.00 73.10 H new ATOM 0 HB3 SER A 39 -5.200 -12.730 -1.624 1.00 73.10 H new ATOM 0 HG SER A 39 -2.855 -12.289 -0.023 1.00 15.24 H new ATOM 636 N LEU A 40 -3.593 -11.486 -4.436 1.00 13.03 N ATOM 637 CA LEU A 40 -4.004 -11.082 -5.785 1.00 42.54 C ATOM 638 C LEU A 40 -3.237 -11.878 -6.859 1.00 23.23 C ATOM 639 O LEU A 40 -3.824 -12.342 -7.836 1.00 31.32 O ATOM 640 CB LEU A 40 -3.774 -9.575 -5.978 1.00 70.14 C ATOM 641 CG LEU A 40 -4.243 -9.000 -7.328 1.00 52.34 C ATOM 642 CD1 LEU A 40 -5.758 -9.129 -7.477 1.00 31.30 C ATOM 643 CD2 LEU A 40 -3.806 -7.544 -7.473 1.00 33.54 C ATOM 0 H LEU A 40 -3.111 -10.757 -3.909 1.00 13.03 H new ATOM 0 HA LEU A 40 -5.067 -11.298 -5.896 1.00 42.54 H new ATOM 0 HB2 LEU A 40 -4.287 -9.041 -5.178 1.00 70.14 H new ATOM 0 HB3 LEU A 40 -2.709 -9.370 -5.866 1.00 70.14 H new ATOM 0 HG LEU A 40 -3.776 -9.578 -8.125 1.00 52.34 H new ATOM 0 HD11 LEU A 40 -6.066 -8.716 -8.438 1.00 31.30 H new ATOM 0 HD12 LEU A 40 -6.040 -10.181 -7.427 1.00 31.30 H new ATOM 0 HD13 LEU A 40 -6.251 -8.582 -6.673 1.00 31.30 H new ATOM 0 HD21 LEU A 40 -4.147 -7.156 -8.433 1.00 33.54 H new ATOM 0 HD22 LEU A 40 -4.240 -6.952 -6.667 1.00 33.54 H new ATOM 0 HD23 LEU A 40 -2.719 -7.484 -7.422 1.00 33.54 H new ATOM 655 N MET A 41 -1.926 -12.041 -6.661 1.00 50.22 N ATOM 656 CA MET A 41 -1.077 -12.787 -7.607 1.00 5.42 C ATOM 657 C MET A 41 -1.531 -14.252 -7.751 1.00 42.34 C ATOM 658 O MET A 41 -1.469 -14.831 -8.837 1.00 74.31 O ATOM 659 CB MET A 41 0.395 -12.746 -7.164 1.00 20.24 C ATOM 660 CG MET A 41 1.013 -11.347 -7.106 1.00 45.40 C ATOM 661 SD MET A 41 1.089 -10.516 -8.712 1.00 43.32 S ATOM 662 CE MET A 41 -0.505 -9.696 -8.788 1.00 55.31 C ATOM 0 H MET A 41 -1.425 -11.668 -5.855 1.00 50.22 H new ATOM 0 HA MET A 41 -1.177 -12.302 -8.578 1.00 5.42 H new ATOM 0 HB2 MET A 41 0.475 -13.204 -6.178 1.00 20.24 H new ATOM 0 HB3 MET A 41 0.982 -13.358 -7.848 1.00 20.24 H new ATOM 0 HG2 MET A 41 0.434 -10.733 -6.416 1.00 45.40 H new ATOM 0 HG3 MET A 41 2.021 -11.422 -6.698 1.00 45.40 H new ATOM 0 HE1 MET A 41 -1.152 -10.223 -9.489 1.00 55.31 H new ATOM 0 HE2 MET A 41 -0.963 -9.699 -7.799 1.00 55.31 H new ATOM 0 HE3 MET A 41 -0.369 -8.667 -9.122 1.00 55.31 H new ATOM 672 N ALA A 42 -1.973 -14.849 -6.646 1.00 45.41 N ATOM 673 CA ALA A 42 -2.473 -16.230 -6.650 1.00 75.13 C ATOM 674 C ALA A 42 -3.763 -16.359 -7.473 1.00 53.14 C ATOM 675 O ALA A 42 -3.968 -17.343 -8.187 1.00 34.31 O ATOM 676 CB ALA A 42 -2.702 -16.705 -5.220 1.00 23.55 C ATOM 0 H ALA A 42 -1.997 -14.399 -5.731 1.00 45.41 H new ATOM 0 HA ALA A 42 -1.719 -16.862 -7.120 1.00 75.13 H new ATOM 0 HB1 ALA A 42 -3.073 -17.730 -5.232 1.00 23.55 H new ATOM 0 HB2 ALA A 42 -1.763 -16.665 -4.669 1.00 23.55 H new ATOM 0 HB3 ALA A 42 -3.435 -16.060 -4.735 1.00 23.55 H new ATOM 682 N LEU A 43 -4.627 -15.355 -7.364 1.00 53.02 N ATOM 683 CA LEU A 43 -5.885 -15.321 -8.118 1.00 52.44 C ATOM 684 C LEU A 43 -5.652 -14.949 -9.593 1.00 41.20 C ATOM 685 O LEU A 43 -6.375 -15.408 -10.481 1.00 22.42 O ATOM 686 CB LEU A 43 -6.845 -14.325 -7.455 1.00 51.00 C ATOM 687 CG LEU A 43 -7.348 -14.748 -6.063 1.00 74.31 C ATOM 688 CD1 LEU A 43 -7.973 -13.572 -5.325 1.00 43.03 C ATOM 689 CD2 LEU A 43 -8.354 -15.889 -6.183 1.00 43.30 C ATOM 0 H LEU A 43 -4.482 -14.547 -6.758 1.00 53.02 H new ATOM 0 HA LEU A 43 -6.325 -16.318 -8.104 1.00 52.44 H new ATOM 0 HB2 LEU A 43 -6.344 -13.361 -7.368 1.00 51.00 H new ATOM 0 HB3 LEU A 43 -7.705 -14.180 -8.109 1.00 51.00 H new ATOM 0 HG LEU A 43 -6.489 -15.094 -5.487 1.00 74.31 H new ATOM 0 HD11 LEU A 43 -8.319 -13.900 -4.345 1.00 43.03 H new ATOM 0 HD12 LEU A 43 -7.231 -12.783 -5.202 1.00 43.03 H new ATOM 0 HD13 LEU A 43 -8.817 -13.189 -5.899 1.00 43.03 H new ATOM 0 HD21 LEU A 43 -8.699 -16.176 -5.190 1.00 43.30 H new ATOM 0 HD22 LEU A 43 -9.204 -15.563 -6.783 1.00 43.30 H new ATOM 0 HD23 LEU A 43 -7.878 -16.744 -6.663 1.00 43.30 H new ATOM 701 N VAL A 44 -4.639 -14.121 -9.845 1.00 55.40 N ATOM 702 CA VAL A 44 -4.261 -13.734 -11.208 1.00 62.32 C ATOM 703 C VAL A 44 -3.010 -14.510 -11.661 1.00 22.53 C ATOM 704 O VAL A 44 -1.893 -13.987 -11.664 1.00 43.01 O ATOM 705 CB VAL A 44 -4.001 -12.206 -11.321 1.00 65.35 C ATOM 706 CG1 VAL A 44 -3.740 -11.799 -12.772 1.00 31.33 C ATOM 707 CG2 VAL A 44 -5.173 -11.415 -10.737 1.00 3.12 C ATOM 0 H VAL A 44 -4.060 -13.701 -9.118 1.00 55.40 H new ATOM 0 HA VAL A 44 -5.098 -13.984 -11.860 1.00 62.32 H new ATOM 0 HB VAL A 44 -3.108 -11.972 -10.742 1.00 65.35 H new ATOM 0 HG11 VAL A 44 -3.561 -10.725 -12.822 1.00 31.33 H new ATOM 0 HG12 VAL A 44 -2.865 -12.330 -13.147 1.00 31.33 H new ATOM 0 HG13 VAL A 44 -4.607 -12.051 -13.382 1.00 31.33 H new ATOM 0 HG21 VAL A 44 -4.972 -10.347 -10.826 1.00 3.12 H new ATOM 0 HG22 VAL A 44 -6.084 -11.659 -11.283 1.00 3.12 H new ATOM 0 HG23 VAL A 44 -5.299 -11.674 -9.686 1.00 3.12 H new ATOM 865 N MET A 54 -11.423 -17.085 -14.745 1.00 70.14 N ATOM 866 CA MET A 54 -11.741 -15.773 -14.159 1.00 60.34 C ATOM 867 C MET A 54 -13.104 -15.769 -13.442 1.00 33.04 C ATOM 868 O MET A 54 -13.219 -15.289 -12.314 1.00 45.50 O ATOM 869 CB MET A 54 -11.711 -14.683 -15.242 1.00 33.12 C ATOM 870 CG MET A 54 -12.037 -13.291 -14.712 1.00 1.30 C ATOM 871 SD MET A 54 -10.979 -12.811 -13.330 1.00 31.23 S ATOM 872 CE MET A 54 -11.676 -11.216 -12.900 1.00 13.24 C ATOM 0 HA MET A 54 -10.978 -15.562 -13.410 1.00 60.34 H new ATOM 0 HB2 MET A 54 -10.723 -14.666 -15.702 1.00 33.12 H new ATOM 0 HB3 MET A 54 -12.423 -14.941 -16.026 1.00 33.12 H new ATOM 0 HG2 MET A 54 -11.929 -12.565 -15.517 1.00 1.30 H new ATOM 0 HG3 MET A 54 -13.079 -13.262 -14.394 1.00 1.30 H new ATOM 0 HE1 MET A 54 -10.872 -10.493 -12.760 1.00 13.24 H new ATOM 0 HE2 MET A 54 -12.333 -10.878 -13.702 1.00 13.24 H new ATOM 0 HE3 MET A 54 -12.248 -11.306 -11.976 1.00 13.24 H new ATOM 882 N GLU A 55 -14.133 -16.316 -14.094 1.00 34.54 N ATOM 883 CA GLU A 55 -15.477 -16.381 -13.498 1.00 74.15 C ATOM 884 C GLU A 55 -15.461 -17.132 -12.157 1.00 74.51 C ATOM 885 O GLU A 55 -16.207 -16.804 -11.237 1.00 13.53 O ATOM 886 CB GLU A 55 -16.462 -17.070 -14.455 1.00 42.23 C ATOM 887 CG GLU A 55 -17.871 -17.203 -13.880 1.00 2.01 C ATOM 888 CD GLU A 55 -18.805 -18.012 -14.763 1.00 34.22 C ATOM 889 OE1 GLU A 55 -18.575 -19.230 -14.918 1.00 20.44 O ATOM 890 OE2 GLU A 55 -19.783 -17.445 -15.289 1.00 50.31 O ATOM 0 H GLU A 55 -14.066 -16.719 -15.029 1.00 34.54 H new ATOM 0 HA GLU A 55 -15.801 -15.356 -13.320 1.00 74.15 H new ATOM 0 HB2 GLU A 55 -16.509 -16.505 -15.386 1.00 42.23 H new ATOM 0 HB3 GLU A 55 -16.083 -18.062 -14.703 1.00 42.23 H new ATOM 0 HG2 GLU A 55 -17.813 -17.673 -12.898 1.00 2.01 H new ATOM 0 HG3 GLU A 55 -18.292 -16.208 -13.733 1.00 2.01 H new ATOM 897 N ARG A 56 -14.591 -18.131 -12.049 1.00 22.24 N ATOM 898 CA ARG A 56 -14.514 -18.963 -10.845 1.00 74.21 C ATOM 899 C ARG A 56 -13.718 -18.277 -9.719 1.00 74.14 C ATOM 900 O ARG A 56 -13.587 -18.822 -8.622 1.00 74.41 O ATOM 901 CB ARG A 56 -13.896 -20.324 -11.195 1.00 44.24 C ATOM 902 CG ARG A 56 -14.737 -21.134 -12.179 1.00 0.13 C ATOM 903 CD ARG A 56 -14.041 -22.417 -12.623 1.00 1.30 C ATOM 904 NE ARG A 56 -14.873 -23.198 -13.545 1.00 41.33 N ATOM 905 CZ ARG A 56 -14.466 -23.670 -14.695 1.00 13.12 C ATOM 906 NH1 ARG A 56 -13.262 -23.435 -15.114 1.00 55.34 N ATOM 907 NH2 ARG A 56 -15.272 -24.371 -15.429 1.00 70.24 N ATOM 0 H ARG A 56 -13.927 -18.387 -12.780 1.00 22.24 H new ATOM 0 HA ARG A 56 -15.528 -19.111 -10.473 1.00 74.21 H new ATOM 0 HB2 ARG A 56 -12.904 -20.167 -11.619 1.00 44.24 H new ATOM 0 HB3 ARG A 56 -13.764 -20.901 -10.280 1.00 44.24 H new ATOM 0 HG2 ARG A 56 -15.692 -21.384 -11.716 1.00 0.13 H new ATOM 0 HG3 ARG A 56 -14.957 -20.522 -13.054 1.00 0.13 H new ATOM 0 HD2 ARG A 56 -13.096 -22.169 -13.107 1.00 1.30 H new ATOM 0 HD3 ARG A 56 -13.802 -23.022 -11.748 1.00 1.30 H new ATOM 0 HE ARG A 56 -15.837 -23.386 -13.270 1.00 41.33 H new ATOM 0 HH11 ARG A 56 -12.624 -22.878 -14.546 1.00 55.34 H new ATOM 0 HH12 ARG A 56 -12.953 -23.807 -16.012 1.00 55.34 H new ATOM 0 HH21 ARG A 56 -16.223 -24.554 -15.110 1.00 70.24 H new ATOM 0 HH22 ARG A 56 -14.955 -24.739 -16.326 1.00 70.24 H new ATOM 921 N HIS A 57 -13.180 -17.089 -10.000 1.00 10.21 N ATOM 922 CA HIS A 57 -12.477 -16.285 -8.988 1.00 50.12 C ATOM 923 C HIS A 57 -13.032 -14.851 -8.893 1.00 13.11 C ATOM 924 O HIS A 57 -12.482 -14.021 -8.167 1.00 33.24 O ATOM 925 CB HIS A 57 -10.968 -16.240 -9.284 1.00 41.31 C ATOM 926 CG HIS A 57 -10.227 -17.465 -8.842 1.00 11.13 C ATOM 927 ND1 HIS A 57 -8.899 -17.696 -9.140 1.00 74.02 N ATOM 928 CD2 HIS A 57 -10.621 -18.515 -8.080 1.00 51.44 C ATOM 929 CE1 HIS A 57 -8.515 -18.827 -8.581 1.00 75.41 C ATOM 930 NE2 HIS A 57 -9.537 -19.340 -7.937 1.00 1.35 N ATOM 0 H HIS A 57 -13.216 -16.657 -10.923 1.00 10.21 H new ATOM 0 HA HIS A 57 -12.645 -16.771 -8.027 1.00 50.12 H new ATOM 0 HB2 HIS A 57 -10.822 -16.105 -10.356 1.00 41.31 H new ATOM 0 HB3 HIS A 57 -10.537 -15.369 -8.791 1.00 41.31 H new ATOM 0 HD2 HIS A 57 -11.605 -18.672 -7.664 1.00 51.44 H new ATOM 0 HE1 HIS A 57 -7.527 -19.258 -8.643 1.00 75.41 H new ATOM 0 HE2 HIS A 57 -9.526 -20.215 -7.413 1.00 1.35 H new ATOM 939 N ILE A 58 -14.136 -14.579 -9.592 1.00 54.32 N ATOM 940 CA ILE A 58 -14.683 -13.215 -9.688 1.00 33.15 C ATOM 941 C ILE A 58 -15.064 -12.631 -8.309 1.00 21.44 C ATOM 942 O ILE A 58 -14.957 -11.424 -8.083 1.00 2.20 O ATOM 943 CB ILE A 58 -15.919 -13.171 -10.632 1.00 24.23 C ATOM 944 CG1 ILE A 58 -16.340 -11.718 -10.918 1.00 21.05 C ATOM 945 CG2 ILE A 58 -17.087 -13.963 -10.042 1.00 4.41 C ATOM 946 CD1 ILE A 58 -15.307 -10.918 -11.686 1.00 72.14 C ATOM 0 H ILE A 58 -14.672 -15.282 -10.101 1.00 54.32 H new ATOM 0 HA ILE A 58 -13.888 -12.597 -10.105 1.00 33.15 H new ATOM 0 HB ILE A 58 -15.635 -13.636 -11.576 1.00 24.23 H new ATOM 0 HG12 ILE A 58 -17.273 -11.725 -11.482 1.00 21.05 H new ATOM 0 HG13 ILE A 58 -16.544 -11.216 -9.972 1.00 21.05 H new ATOM 0 HG21 ILE A 58 -17.938 -13.916 -10.721 1.00 4.41 H new ATOM 0 HG22 ILE A 58 -16.789 -15.002 -9.904 1.00 4.41 H new ATOM 0 HG23 ILE A 58 -17.367 -13.535 -9.079 1.00 4.41 H new ATOM 0 HD11 ILE A 58 -15.678 -9.906 -11.848 1.00 72.14 H new ATOM 0 HD12 ILE A 58 -14.380 -10.878 -11.115 1.00 72.14 H new ATOM 0 HD13 ILE A 58 -15.120 -11.394 -12.648 1.00 72.14 H new ATOM 958 N ASN A 59 -15.489 -13.489 -7.385 1.00 55.54 N ATOM 959 CA ASN A 59 -15.920 -13.041 -6.054 1.00 41.43 C ATOM 960 C ASN A 59 -14.729 -12.817 -5.105 1.00 33.33 C ATOM 961 O ASN A 59 -14.615 -11.767 -4.471 1.00 60.13 O ATOM 962 CB ASN A 59 -16.894 -14.054 -5.443 1.00 51.40 C ATOM 963 CG ASN A 59 -18.157 -14.208 -6.271 1.00 54.53 C ATOM 964 OD1 ASN A 59 -18.607 -13.274 -6.926 1.00 33.25 O ATOM 965 ND2 ASN A 59 -18.751 -15.384 -6.240 1.00 72.12 N ATOM 0 H ASN A 59 -15.546 -14.497 -7.528 1.00 55.54 H new ATOM 0 HA ASN A 59 -16.424 -12.083 -6.182 1.00 41.43 H new ATOM 0 HB2 ASN A 59 -16.400 -15.022 -5.354 1.00 51.40 H new ATOM 0 HB3 ASN A 59 -17.159 -13.737 -4.434 1.00 51.40 H new ATOM 0 HD21 ASN A 59 -19.609 -15.536 -6.770 1.00 72.12 H new ATOM 0 HD22 ASN A 59 -18.353 -16.142 -5.686 1.00 72.12 H new ATOM 972 N GLU A 60 -13.841 -13.804 -5.019 1.00 22.25 N ATOM 973 CA GLU A 60 -12.702 -13.747 -4.091 1.00 4.01 C ATOM 974 C GLU A 60 -11.635 -12.731 -4.532 1.00 34.21 C ATOM 975 O GLU A 60 -10.875 -12.225 -3.699 1.00 75.34 O ATOM 976 CB GLU A 60 -12.063 -15.138 -3.898 1.00 64.05 C ATOM 977 CG GLU A 60 -11.909 -15.964 -5.178 1.00 11.41 C ATOM 978 CD GLU A 60 -13.110 -16.862 -5.446 1.00 30.15 C ATOM 979 OE1 GLU A 60 -14.079 -16.403 -6.083 1.00 3.15 O ATOM 980 OE2 GLU A 60 -13.096 -18.025 -4.998 1.00 44.24 O ATOM 0 H GLU A 60 -13.883 -14.656 -5.579 1.00 22.25 H new ATOM 0 HA GLU A 60 -13.104 -13.410 -3.135 1.00 4.01 H new ATOM 0 HB2 GLU A 60 -11.079 -15.010 -3.446 1.00 64.05 H new ATOM 0 HB3 GLU A 60 -12.668 -15.704 -3.189 1.00 64.05 H new ATOM 0 HG2 GLU A 60 -11.767 -15.292 -6.024 1.00 11.41 H new ATOM 0 HG3 GLU A 60 -11.011 -16.577 -5.104 1.00 11.41 H new ATOM 987 N ILE A 61 -11.565 -12.430 -5.831 1.00 23.15 N ATOM 988 CA ILE A 61 -10.628 -11.409 -6.317 1.00 3.43 C ATOM 989 C ILE A 61 -11.011 -10.019 -5.784 1.00 42.51 C ATOM 990 O ILE A 61 -10.149 -9.174 -5.548 1.00 31.11 O ATOM 991 CB ILE A 61 -10.537 -11.383 -7.868 1.00 12.00 C ATOM 992 CG1 ILE A 61 -9.436 -10.411 -8.332 1.00 62.22 C ATOM 993 CG2 ILE A 61 -11.881 -11.006 -8.482 1.00 52.30 C ATOM 994 CD1 ILE A 61 -9.239 -10.368 -9.835 1.00 71.53 C ATOM 0 H ILE A 61 -12.134 -12.868 -6.555 1.00 23.15 H new ATOM 0 HA ILE A 61 -9.643 -11.677 -5.936 1.00 3.43 H new ATOM 0 HB ILE A 61 -10.275 -12.384 -8.210 1.00 12.00 H new ATOM 0 HG12 ILE A 61 -9.680 -9.409 -7.980 1.00 62.22 H new ATOM 0 HG13 ILE A 61 -8.495 -10.694 -7.861 1.00 62.22 H new ATOM 0 HG21 ILE A 61 -11.794 -10.994 -9.568 1.00 52.30 H new ATOM 0 HG22 ILE A 61 -12.634 -11.737 -8.186 1.00 52.30 H new ATOM 0 HG23 ILE A 61 -12.177 -10.018 -8.131 1.00 52.30 H new ATOM 0 HD11 ILE A 61 -8.447 -9.660 -10.078 1.00 71.53 H new ATOM 0 HD12 ILE A 61 -8.963 -11.359 -10.194 1.00 71.53 H new ATOM 0 HD13 ILE A 61 -10.166 -10.054 -10.315 1.00 71.53 H new ATOM 1006 N ARG A 62 -12.308 -9.804 -5.565 1.00 15.50 N ATOM 1007 CA ARG A 62 -12.799 -8.554 -4.975 1.00 63.41 C ATOM 1008 C ARG A 62 -12.248 -8.371 -3.552 1.00 30.32 C ATOM 1009 O ARG A 62 -11.811 -7.282 -3.175 1.00 72.12 O ATOM 1010 CB ARG A 62 -14.332 -8.546 -4.947 1.00 1.05 C ATOM 1011 CG ARG A 62 -14.974 -8.787 -6.312 1.00 21.51 C ATOM 1012 CD ARG A 62 -16.495 -8.719 -6.244 1.00 11.33 C ATOM 1013 NE ARG A 62 -16.967 -7.397 -5.832 1.00 11.34 N ATOM 1014 CZ ARG A 62 -17.702 -7.175 -4.774 1.00 45.54 C ATOM 1015 NH1 ARG A 62 -18.009 -8.144 -3.971 1.00 20.51 N ATOM 1016 NH2 ARG A 62 -18.121 -5.978 -4.516 1.00 12.02 N ATOM 0 H ARG A 62 -13.040 -10.479 -5.787 1.00 15.50 H new ATOM 0 HA ARG A 62 -12.450 -7.726 -5.592 1.00 63.41 H new ATOM 0 HB2 ARG A 62 -14.678 -9.312 -4.253 1.00 1.05 H new ATOM 0 HB3 ARG A 62 -14.674 -7.587 -4.559 1.00 1.05 H new ATOM 0 HG2 ARG A 62 -14.609 -8.044 -7.021 1.00 21.51 H new ATOM 0 HG3 ARG A 62 -14.671 -9.764 -6.689 1.00 21.51 H new ATOM 0 HD2 ARG A 62 -16.913 -8.965 -7.220 1.00 11.33 H new ATOM 0 HD3 ARG A 62 -16.860 -9.469 -5.543 1.00 11.33 H new ATOM 0 HE ARG A 62 -16.706 -6.597 -6.408 1.00 11.34 H new ATOM 0 HH11 ARG A 62 -17.677 -9.089 -4.162 1.00 20.51 H new ATOM 0 HH12 ARG A 62 -18.583 -7.962 -3.148 1.00 20.51 H new ATOM 0 HH21 ARG A 62 -17.878 -5.207 -5.138 1.00 12.02 H new ATOM 0 HH22 ARG A 62 -18.694 -5.805 -3.690 1.00 12.02 H new ATOM 1030 N THR A 63 -12.268 -9.453 -2.770 1.00 62.13 N ATOM 1031 CA THR A 63 -11.703 -9.444 -1.413 1.00 42.01 C ATOM 1032 C THR A 63 -10.196 -9.164 -1.444 1.00 22.41 C ATOM 1033 O THR A 63 -9.684 -8.400 -0.623 1.00 34.20 O ATOM 1034 CB THR A 63 -11.953 -10.785 -0.674 1.00 11.21 C ATOM 1035 OG1 THR A 63 -13.364 -11.023 -0.545 1.00 33.43 O ATOM 1036 CG2 THR A 63 -11.312 -10.781 0.713 1.00 71.31 C ATOM 0 H THR A 63 -12.669 -10.348 -3.051 1.00 62.13 H new ATOM 0 HA THR A 63 -12.211 -8.646 -0.871 1.00 42.01 H new ATOM 0 HB THR A 63 -11.498 -11.580 -1.265 1.00 11.21 H new ATOM 0 HG1 THR A 63 -13.511 -11.872 -0.079 1.00 33.43 H new ATOM 0 HG21 THR A 63 -11.505 -11.734 1.206 1.00 71.31 H new ATOM 0 HG22 THR A 63 -10.236 -10.633 0.616 1.00 71.31 H new ATOM 0 HG23 THR A 63 -11.737 -9.973 1.308 1.00 71.31 H new ATOM 1044 N ALA A 64 -9.493 -9.785 -2.395 1.00 64.22 N ATOM 1045 CA ALA A 64 -8.053 -9.559 -2.577 1.00 21.12 C ATOM 1046 C ALA A 64 -7.758 -8.087 -2.896 1.00 61.23 C ATOM 1047 O ALA A 64 -6.860 -7.480 -2.308 1.00 4.35 O ATOM 1048 CB ALA A 64 -7.507 -10.461 -3.676 1.00 25.43 C ATOM 0 H ALA A 64 -9.898 -10.451 -3.054 1.00 64.22 H new ATOM 0 HA ALA A 64 -7.554 -9.807 -1.640 1.00 21.12 H new ATOM 0 HB1 ALA A 64 -6.439 -10.281 -3.798 1.00 25.43 H new ATOM 0 HB2 ALA A 64 -7.670 -11.504 -3.405 1.00 25.43 H new ATOM 0 HB3 ALA A 64 -8.021 -10.245 -4.613 1.00 25.43 H new ATOM 1054 N VAL A 65 -8.521 -7.522 -3.835 1.00 3.00 N ATOM 1055 CA VAL A 65 -8.460 -6.085 -4.130 1.00 4.25 C ATOM 1056 C VAL A 65 -8.648 -5.260 -2.850 1.00 51.02 C ATOM 1057 O VAL A 65 -7.871 -4.348 -2.557 1.00 52.40 O ATOM 1058 CB VAL A 65 -9.544 -5.687 -5.167 1.00 73.30 C ATOM 1059 CG1 VAL A 65 -9.644 -4.168 -5.315 1.00 14.05 C ATOM 1060 CG2 VAL A 65 -9.263 -6.344 -6.518 1.00 62.00 C ATOM 0 H VAL A 65 -9.190 -8.038 -4.406 1.00 3.00 H new ATOM 0 HA VAL A 65 -7.476 -5.874 -4.549 1.00 4.25 H new ATOM 0 HB VAL A 65 -10.505 -6.048 -4.799 1.00 73.30 H new ATOM 0 HG11 VAL A 65 -10.412 -3.924 -6.049 1.00 14.05 H new ATOM 0 HG12 VAL A 65 -9.906 -3.725 -4.354 1.00 14.05 H new ATOM 0 HG13 VAL A 65 -8.685 -3.771 -5.648 1.00 14.05 H new ATOM 0 HG21 VAL A 65 -10.034 -6.053 -7.232 1.00 62.00 H new ATOM 0 HG22 VAL A 65 -8.289 -6.021 -6.884 1.00 62.00 H new ATOM 0 HG23 VAL A 65 -9.266 -7.428 -6.403 1.00 62.00 H new ATOM 1070 N ASP A 66 -9.679 -5.610 -2.084 1.00 1.33 N ATOM 1071 CA ASP A 66 -9.945 -4.971 -0.795 1.00 31.13 C ATOM 1072 C ASP A 66 -8.745 -5.116 0.162 1.00 12.25 C ATOM 1073 O ASP A 66 -8.442 -4.201 0.925 1.00 21.31 O ATOM 1074 CB ASP A 66 -11.210 -5.577 -0.168 1.00 70.40 C ATOM 1075 CG ASP A 66 -11.535 -4.984 1.191 1.00 31.14 C ATOM 1076 OD1 ASP A 66 -12.137 -3.892 1.242 1.00 41.25 O ATOM 1077 OD2 ASP A 66 -11.186 -5.608 2.214 1.00 41.52 O ATOM 0 H ASP A 66 -10.348 -6.337 -2.335 1.00 1.33 H new ATOM 0 HA ASP A 66 -10.103 -3.906 -0.965 1.00 31.13 H new ATOM 0 HB2 ASP A 66 -12.054 -5.419 -0.839 1.00 70.40 H new ATOM 0 HB3 ASP A 66 -11.080 -6.655 -0.067 1.00 70.40 H new ATOM 1082 N LYS A 67 -8.062 -6.265 0.108 1.00 11.42 N ATOM 1083 CA LYS A 67 -6.882 -6.511 0.954 1.00 71.23 C ATOM 1084 C LYS A 67 -5.721 -5.582 0.580 1.00 73.55 C ATOM 1085 O LYS A 67 -5.133 -4.937 1.447 1.00 10.53 O ATOM 1086 CB LYS A 67 -6.424 -7.978 0.854 1.00 72.02 C ATOM 1087 CG LYS A 67 -7.455 -9.024 1.303 1.00 22.44 C ATOM 1088 CD LYS A 67 -7.793 -8.948 2.798 1.00 12.51 C ATOM 1089 CE LYS A 67 -8.880 -7.917 3.113 1.00 44.21 C ATOM 1090 NZ LYS A 67 -10.127 -8.167 2.343 1.00 63.42 N ATOM 0 H LYS A 67 -8.303 -7.040 -0.510 1.00 11.42 H new ATOM 0 HA LYS A 67 -7.177 -6.302 1.982 1.00 71.23 H new ATOM 0 HB2 LYS A 67 -6.149 -8.185 -0.180 1.00 72.02 H new ATOM 0 HB3 LYS A 67 -5.522 -8.101 1.454 1.00 72.02 H new ATOM 0 HG2 LYS A 67 -8.370 -8.893 0.725 1.00 22.44 H new ATOM 0 HG3 LYS A 67 -7.074 -10.019 1.075 1.00 22.44 H new ATOM 0 HD2 LYS A 67 -8.120 -9.929 3.141 1.00 12.51 H new ATOM 0 HD3 LYS A 67 -6.891 -8.699 3.357 1.00 12.51 H new ATOM 0 HE2 LYS A 67 -9.102 -7.940 4.180 1.00 44.21 H new ATOM 0 HE3 LYS A 67 -8.508 -6.918 2.886 1.00 44.21 H new ATOM 0 HZ1 LYS A 67 -10.812 -7.408 2.535 1.00 63.42 H new ATOM 0 HZ2 LYS A 67 -9.909 -8.187 1.326 1.00 63.42 H new ATOM 0 HZ3 LYS A 67 -10.534 -9.081 2.628 1.00 63.42 H new ATOM 1104 N VAL A 68 -5.392 -5.521 -0.712 1.00 60.03 N ATOM 1105 CA VAL A 68 -4.328 -4.631 -1.196 1.00 14.24 C ATOM 1106 C VAL A 68 -4.590 -3.179 -0.760 1.00 44.24 C ATOM 1107 O VAL A 68 -3.722 -2.522 -0.181 1.00 10.31 O ATOM 1108 CB VAL A 68 -4.199 -4.691 -2.741 1.00 3.51 C ATOM 1109 CG1 VAL A 68 -3.076 -3.776 -3.232 1.00 62.23 C ATOM 1110 CG2 VAL A 68 -3.975 -6.129 -3.212 1.00 72.45 C ATOM 0 H VAL A 68 -5.843 -6.074 -1.441 1.00 60.03 H new ATOM 0 HA VAL A 68 -3.393 -4.976 -0.755 1.00 14.24 H new ATOM 0 HB VAL A 68 -5.135 -4.335 -3.172 1.00 3.51 H new ATOM 0 HG11 VAL A 68 -3.006 -3.836 -4.318 1.00 62.23 H new ATOM 0 HG12 VAL A 68 -3.290 -2.748 -2.939 1.00 62.23 H new ATOM 0 HG13 VAL A 68 -2.131 -4.091 -2.790 1.00 62.23 H new ATOM 0 HG21 VAL A 68 -3.888 -6.147 -4.298 1.00 72.45 H new ATOM 0 HG22 VAL A 68 -3.059 -6.519 -2.768 1.00 72.45 H new ATOM 0 HG23 VAL A 68 -4.819 -6.748 -2.906 1.00 72.45 H new ATOM 1120 N GLU A 69 -5.803 -2.699 -1.024 1.00 4.45 N ATOM 1121 CA GLU A 69 -6.233 -1.364 -0.593 1.00 73.31 C ATOM 1122 C GLU A 69 -6.178 -1.213 0.937 1.00 5.41 C ATOM 1123 O GLU A 69 -5.751 -0.180 1.453 1.00 64.40 O ATOM 1124 CB GLU A 69 -7.659 -1.089 -1.097 1.00 74.12 C ATOM 1125 CG GLU A 69 -7.729 -0.664 -2.561 1.00 31.54 C ATOM 1126 CD GLU A 69 -7.217 0.753 -2.776 1.00 61.25 C ATOM 1127 OE1 GLU A 69 -8.015 1.703 -2.606 1.00 1.24 O ATOM 1128 OE2 GLU A 69 -6.018 0.926 -3.090 1.00 65.10 O ATOM 0 H GLU A 69 -6.514 -3.218 -1.539 1.00 4.45 H new ATOM 0 HA GLU A 69 -5.544 -0.636 -1.022 1.00 73.31 H new ATOM 0 HB2 GLU A 69 -8.261 -1.988 -0.961 1.00 74.12 H new ATOM 0 HB3 GLU A 69 -8.107 -0.309 -0.481 1.00 74.12 H new ATOM 0 HG2 GLU A 69 -7.143 -1.356 -3.166 1.00 31.54 H new ATOM 0 HG3 GLU A 69 -8.760 -0.732 -2.908 1.00 31.54 H new ATOM 1135 N LEU A 70 -6.610 -2.253 1.650 1.00 11.13 N ATOM 1136 CA LEU A 70 -6.637 -2.245 3.120 1.00 72.20 C ATOM 1137 C LEU A 70 -5.235 -2.063 3.720 1.00 51.24 C ATOM 1138 O LEU A 70 -4.967 -1.076 4.408 1.00 0.12 O ATOM 1139 CB LEU A 70 -7.257 -3.549 3.640 1.00 73.22 C ATOM 1140 CG LEU A 70 -7.246 -3.730 5.168 1.00 45.14 C ATOM 1141 CD1 LEU A 70 -8.066 -2.638 5.854 1.00 63.24 C ATOM 1142 CD2 LEU A 70 -7.761 -5.118 5.545 1.00 24.51 C ATOM 0 H LEU A 70 -6.949 -3.120 1.233 1.00 11.13 H new ATOM 0 HA LEU A 70 -7.245 -1.396 3.432 1.00 72.20 H new ATOM 0 HB2 LEU A 70 -8.289 -3.602 3.294 1.00 73.22 H new ATOM 0 HB3 LEU A 70 -6.726 -4.387 3.189 1.00 73.22 H new ATOM 0 HG LEU A 70 -6.217 -3.641 5.515 1.00 45.14 H new ATOM 0 HD11 LEU A 70 -8.042 -2.789 6.933 1.00 63.24 H new ATOM 0 HD12 LEU A 70 -7.644 -1.662 5.615 1.00 63.24 H new ATOM 0 HD13 LEU A 70 -9.097 -2.683 5.504 1.00 63.24 H new ATOM 0 HD21 LEU A 70 -7.747 -5.229 6.629 1.00 24.51 H new ATOM 0 HD22 LEU A 70 -8.781 -5.239 5.181 1.00 24.51 H new ATOM 0 HD23 LEU A 70 -7.123 -5.878 5.094 1.00 24.51 H new ATOM 1154 N PHE A 71 -4.345 -3.017 3.449 1.00 4.43 N ATOM 1155 CA PHE A 71 -2.982 -2.980 3.992 1.00 54.30 C ATOM 1156 C PHE A 71 -2.235 -1.715 3.549 1.00 51.50 C ATOM 1157 O PHE A 71 -1.496 -1.116 4.329 1.00 22.34 O ATOM 1158 CB PHE A 71 -2.196 -4.229 3.567 1.00 51.10 C ATOM 1159 CG PHE A 71 -2.781 -5.520 4.085 1.00 30.02 C ATOM 1160 CD1 PHE A 71 -2.866 -5.760 5.448 1.00 43.34 C ATOM 1161 CD2 PHE A 71 -3.241 -6.495 3.209 1.00 75.43 C ATOM 1162 CE1 PHE A 71 -3.398 -6.942 5.927 1.00 61.44 C ATOM 1163 CE2 PHE A 71 -3.774 -7.678 3.684 1.00 53.12 C ATOM 1164 CZ PHE A 71 -3.853 -7.901 5.044 1.00 24.12 C ATOM 0 H PHE A 71 -4.540 -3.825 2.858 1.00 4.43 H new ATOM 0 HA PHE A 71 -3.063 -2.964 5.079 1.00 54.30 H new ATOM 0 HB2 PHE A 71 -2.156 -4.269 2.478 1.00 51.10 H new ATOM 0 HB3 PHE A 71 -1.169 -4.139 3.920 1.00 51.10 H new ATOM 0 HD1 PHE A 71 -2.512 -5.014 6.144 1.00 43.34 H new ATOM 0 HD2 PHE A 71 -3.181 -6.326 2.144 1.00 75.43 H new ATOM 0 HE1 PHE A 71 -3.458 -7.116 6.991 1.00 61.44 H new ATOM 0 HE2 PHE A 71 -4.128 -8.427 2.992 1.00 53.12 H new ATOM 0 HZ PHE A 71 -4.270 -8.825 5.417 1.00 24.12 H new ATOM 1174 N LEU A 72 -2.437 -1.313 2.297 1.00 3.23 N ATOM 1175 CA LEU A 72 -1.822 -0.092 1.770 1.00 24.20 C ATOM 1176 C LEU A 72 -2.361 1.159 2.486 1.00 65.22 C ATOM 1177 O LEU A 72 -1.610 2.085 2.800 1.00 24.02 O ATOM 1178 CB LEU A 72 -2.067 0.004 0.258 1.00 44.14 C ATOM 1179 CG LEU A 72 -1.422 1.209 -0.444 1.00 60.10 C ATOM 1180 CD1 LEU A 72 0.072 1.279 -0.139 1.00 33.55 C ATOM 1181 CD2 LEU A 72 -1.661 1.142 -1.951 1.00 2.54 C ATOM 0 H LEU A 72 -3.021 -1.813 1.627 1.00 3.23 H new ATOM 0 HA LEU A 72 -0.749 -0.141 1.955 1.00 24.20 H new ATOM 0 HB2 LEU A 72 -1.697 -0.908 -0.211 1.00 44.14 H new ATOM 0 HB3 LEU A 72 -3.142 0.038 0.084 1.00 44.14 H new ATOM 0 HG LEU A 72 -1.889 2.116 -0.061 1.00 60.10 H new ATOM 0 HD11 LEU A 72 0.507 2.140 -0.647 1.00 33.55 H new ATOM 0 HD12 LEU A 72 0.220 1.379 0.936 1.00 33.55 H new ATOM 0 HD13 LEU A 72 0.558 0.368 -0.489 1.00 33.55 H new ATOM 0 HD21 LEU A 72 -1.197 2.003 -2.432 1.00 2.54 H new ATOM 0 HD22 LEU A 72 -1.224 0.226 -2.348 1.00 2.54 H new ATOM 0 HD23 LEU A 72 -2.733 1.149 -2.150 1.00 2.54 H new ATOM 1193 N LYS A 73 -3.664 1.175 2.751 1.00 43.13 N ATOM 1194 CA LYS A 73 -4.298 2.285 3.471 1.00 5.51 C ATOM 1195 C LYS A 73 -3.781 2.370 4.918 1.00 74.02 C ATOM 1196 O LYS A 73 -3.452 3.454 5.407 1.00 13.00 O ATOM 1197 CB LYS A 73 -5.831 2.124 3.427 1.00 72.34 C ATOM 1198 CG LYS A 73 -6.620 3.149 4.254 1.00 42.15 C ATOM 1199 CD LYS A 73 -6.876 2.670 5.686 1.00 63.14 C ATOM 1200 CE LYS A 73 -7.713 1.394 5.721 1.00 44.35 C ATOM 1201 NZ LYS A 73 -9.085 1.610 5.187 1.00 44.00 N ATOM 0 H LYS A 73 -4.307 0.431 2.479 1.00 43.13 H new ATOM 0 HA LYS A 73 -4.035 3.223 2.981 1.00 5.51 H new ATOM 0 HB2 LYS A 73 -6.158 2.190 2.389 1.00 72.34 H new ATOM 0 HB3 LYS A 73 -6.086 1.124 3.779 1.00 72.34 H new ATOM 0 HG2 LYS A 73 -6.071 4.090 4.281 1.00 42.15 H new ATOM 0 HG3 LYS A 73 -7.573 3.350 3.765 1.00 42.15 H new ATOM 0 HD2 LYS A 73 -5.923 2.492 6.185 1.00 63.14 H new ATOM 0 HD3 LYS A 73 -7.387 3.454 6.245 1.00 63.14 H new ATOM 0 HE2 LYS A 73 -7.216 0.619 5.138 1.00 44.35 H new ATOM 0 HE3 LYS A 73 -7.777 1.031 6.747 1.00 44.35 H new ATOM 0 HZ1 LYS A 73 -9.660 0.760 5.353 1.00 44.00 H new ATOM 0 HZ2 LYS A 73 -9.521 2.422 5.668 1.00 44.00 H new ATOM 0 HZ3 LYS A 73 -9.034 1.799 4.166 1.00 44.00 H new ATOM 1215 N GLU A 74 -3.706 1.224 5.597 1.00 43.23 N ATOM 1216 CA GLU A 74 -3.183 1.171 6.968 1.00 15.35 C ATOM 1217 C GLU A 74 -1.682 1.512 6.998 1.00 11.32 C ATOM 1218 O GLU A 74 -1.191 2.132 7.946 1.00 74.42 O ATOM 1219 CB GLU A 74 -3.444 -0.211 7.596 1.00 5.15 C ATOM 1220 CG GLU A 74 -4.927 -0.585 7.654 1.00 4.42 C ATOM 1221 CD GLU A 74 -5.206 -1.825 8.495 1.00 71.33 C ATOM 1222 OE1 GLU A 74 -5.114 -2.953 7.966 1.00 50.43 O ATOM 1223 OE2 GLU A 74 -5.528 -1.674 9.696 1.00 71.35 O ATOM 0 H GLU A 74 -3.999 0.321 5.223 1.00 43.23 H new ATOM 0 HA GLU A 74 -3.709 1.920 7.561 1.00 15.35 H new ATOM 0 HB2 GLU A 74 -2.909 -0.968 7.023 1.00 5.15 H new ATOM 0 HB3 GLU A 74 -3.034 -0.226 8.606 1.00 5.15 H new ATOM 0 HG2 GLU A 74 -5.490 0.255 8.061 1.00 4.42 H new ATOM 0 HG3 GLU A 74 -5.292 -0.753 6.641 1.00 4.42 H new ATOM 1230 N TYR A 75 -0.965 1.119 5.944 1.00 45.21 N ATOM 1231 CA TYR A 75 0.447 1.484 5.779 1.00 4.54 C ATOM 1232 C TYR A 75 0.605 3.013 5.693 1.00 32.43 C ATOM 1233 O TYR A 75 1.406 3.609 6.421 1.00 3.21 O ATOM 1234 CB TYR A 75 1.019 0.813 4.519 1.00 42.00 C ATOM 1235 CG TYR A 75 2.488 1.111 4.272 1.00 11.14 C ATOM 1236 CD1 TYR A 75 3.481 0.410 4.947 1.00 35.32 C ATOM 1237 CD2 TYR A 75 2.880 2.092 3.364 1.00 3.34 C ATOM 1238 CE1 TYR A 75 4.818 0.677 4.727 1.00 40.42 C ATOM 1239 CE2 TYR A 75 4.216 2.363 3.141 1.00 32.11 C ATOM 1240 CZ TYR A 75 5.181 1.653 3.824 1.00 22.15 C ATOM 1241 OH TYR A 75 6.512 1.925 3.610 1.00 71.44 O ATOM 0 H TYR A 75 -1.339 0.546 5.188 1.00 45.21 H new ATOM 0 HA TYR A 75 1.003 1.133 6.648 1.00 4.54 H new ATOM 0 HB2 TYR A 75 0.887 -0.266 4.603 1.00 42.00 H new ATOM 0 HB3 TYR A 75 0.442 1.138 3.653 1.00 42.00 H new ATOM 0 HD1 TYR A 75 3.202 -0.356 5.655 1.00 35.32 H new ATOM 0 HD2 TYR A 75 2.128 2.649 2.826 1.00 3.34 H new ATOM 0 HE1 TYR A 75 5.576 0.123 5.261 1.00 40.42 H new ATOM 0 HE2 TYR A 75 4.504 3.128 2.435 1.00 32.11 H new ATOM 0 HH TYR A 75 7.047 1.135 3.833 1.00 71.44 H new ATOM 1251 N LEU A 76 -0.170 3.640 4.804 1.00 2.23 N ATOM 1252 CA LEU A 76 -0.185 5.104 4.677 1.00 22.13 C ATOM 1253 C LEU A 76 -0.556 5.775 6.008 1.00 41.11 C ATOM 1254 O LEU A 76 0.044 6.775 6.402 1.00 55.32 O ATOM 1255 CB LEU A 76 -1.168 5.538 3.581 1.00 43.43 C ATOM 1256 CG LEU A 76 -0.804 5.094 2.155 1.00 42.02 C ATOM 1257 CD1 LEU A 76 -1.876 5.534 1.165 1.00 72.51 C ATOM 1258 CD2 LEU A 76 0.564 5.641 1.751 1.00 51.31 C ATOM 0 H LEU A 76 -0.797 3.158 4.160 1.00 2.23 H new ATOM 0 HA LEU A 76 0.820 5.423 4.402 1.00 22.13 H new ATOM 0 HB2 LEU A 76 -2.155 5.144 3.825 1.00 43.43 H new ATOM 0 HB3 LEU A 76 -1.246 6.625 3.596 1.00 43.43 H new ATOM 0 HG LEU A 76 -0.752 4.005 2.139 1.00 42.02 H new ATOM 0 HD11 LEU A 76 -1.600 5.210 0.162 1.00 72.51 H new ATOM 0 HD12 LEU A 76 -2.831 5.087 1.440 1.00 72.51 H new ATOM 0 HD13 LEU A 76 -1.965 6.620 1.184 1.00 72.51 H new ATOM 0 HD21 LEU A 76 0.802 5.315 0.739 1.00 51.31 H new ATOM 0 HD22 LEU A 76 0.545 6.730 1.786 1.00 51.31 H new ATOM 0 HD23 LEU A 76 1.323 5.269 2.440 1.00 51.31 H new ATOM 1270 N HIS A 77 -1.543 5.205 6.696 1.00 11.30 N ATOM 1271 CA HIS A 77 -1.985 5.705 8.005 1.00 45.41 C ATOM 1272 C HIS A 77 -0.821 5.779 9.014 1.00 24.24 C ATOM 1273 O HIS A 77 -0.811 6.634 9.899 1.00 4.12 O ATOM 1274 CB HIS A 77 -3.105 4.803 8.544 1.00 23.11 C ATOM 1275 CG HIS A 77 -3.569 5.144 9.929 1.00 34.20 C ATOM 1276 ND1 HIS A 77 -3.403 4.300 11.003 1.00 73.24 N ATOM 1277 CD2 HIS A 77 -4.223 6.230 10.409 1.00 41.05 C ATOM 1278 CE1 HIS A 77 -3.931 4.844 12.079 1.00 11.15 C ATOM 1279 NE2 HIS A 77 -4.437 6.015 11.750 1.00 11.14 N ATOM 0 H HIS A 77 -2.059 4.388 6.368 1.00 11.30 H new ATOM 0 HA HIS A 77 -2.361 6.719 7.873 1.00 45.41 H new ATOM 0 HB2 HIS A 77 -3.956 4.859 7.866 1.00 23.11 H new ATOM 0 HB3 HIS A 77 -2.757 3.770 8.535 1.00 23.11 H new ATOM 0 HD2 HIS A 77 -4.520 7.101 9.844 1.00 41.05 H new ATOM 0 HE1 HIS A 77 -3.947 4.404 13.065 1.00 11.15 H new ATOM 0 HE2 HIS A 77 -4.910 6.657 12.386 1.00 11.14 H new ATOM 1288 N PHE A 78 0.150 4.880 8.875 1.00 4.11 N ATOM 1289 CA PHE A 78 1.315 4.851 9.768 1.00 63.32 C ATOM 1290 C PHE A 78 2.422 5.808 9.280 1.00 21.42 C ATOM 1291 O PHE A 78 2.861 6.698 10.016 1.00 55.32 O ATOM 1292 CB PHE A 78 1.859 3.418 9.866 1.00 22.33 C ATOM 1293 CG PHE A 78 2.882 3.214 10.964 1.00 50.43 C ATOM 1294 CD1 PHE A 78 2.479 2.847 12.241 1.00 22.40 C ATOM 1295 CD2 PHE A 78 4.241 3.380 10.721 1.00 2.03 C ATOM 1296 CE1 PHE A 78 3.405 2.652 13.250 1.00 51.21 C ATOM 1297 CE2 PHE A 78 5.170 3.186 11.728 1.00 13.55 C ATOM 1298 CZ PHE A 78 4.751 2.822 12.994 1.00 11.35 C ATOM 0 H PHE A 78 0.157 4.159 8.153 1.00 4.11 H new ATOM 0 HA PHE A 78 0.996 5.187 10.755 1.00 63.32 H new ATOM 0 HB2 PHE A 78 1.025 2.736 10.031 1.00 22.33 H new ATOM 0 HB3 PHE A 78 2.309 3.146 8.911 1.00 22.33 H new ATOM 0 HD1 PHE A 78 1.428 2.712 12.449 1.00 22.40 H new ATOM 0 HD2 PHE A 78 4.576 3.664 9.734 1.00 2.03 H new ATOM 0 HE1 PHE A 78 3.075 2.367 14.238 1.00 51.21 H new ATOM 0 HE2 PHE A 78 6.222 3.319 11.525 1.00 13.55 H new ATOM 0 HZ PHE A 78 5.475 2.671 13.781 1.00 11.35 H new ATOM 1308 N VAL A 79 2.857 5.633 8.030 1.00 2.11 N ATOM 1309 CA VAL A 79 3.963 6.428 7.475 1.00 2.42 C ATOM 1310 C VAL A 79 3.651 7.935 7.465 1.00 2.23 C ATOM 1311 O VAL A 79 4.533 8.752 7.725 1.00 71.05 O ATOM 1312 CB VAL A 79 4.347 5.966 6.047 1.00 44.44 C ATOM 1313 CG1 VAL A 79 4.825 4.515 6.065 1.00 21.02 C ATOM 1314 CG2 VAL A 79 3.182 6.143 5.076 1.00 73.20 C ATOM 0 H VAL A 79 2.464 4.951 7.382 1.00 2.11 H new ATOM 0 HA VAL A 79 4.812 6.259 8.137 1.00 2.42 H new ATOM 0 HB VAL A 79 5.166 6.595 5.698 1.00 44.44 H new ATOM 0 HG11 VAL A 79 5.091 4.207 5.054 1.00 21.02 H new ATOM 0 HG12 VAL A 79 5.698 4.427 6.712 1.00 21.02 H new ATOM 0 HG13 VAL A 79 4.028 3.874 6.442 1.00 21.02 H new ATOM 0 HG21 VAL A 79 3.483 5.810 4.083 1.00 73.20 H new ATOM 0 HG22 VAL A 79 2.332 5.551 5.415 1.00 73.20 H new ATOM 0 HG23 VAL A 79 2.898 7.195 5.036 1.00 73.20 H new ATOM 1324 N LYS A 80 2.397 8.299 7.180 1.00 4.55 N ATOM 1325 CA LYS A 80 1.976 9.707 7.223 1.00 5.44 C ATOM 1326 C LYS A 80 2.187 10.300 8.622 1.00 24.21 C ATOM 1327 O LYS A 80 2.567 11.465 8.766 1.00 20.32 O ATOM 1328 CB LYS A 80 0.503 9.849 6.808 1.00 33.42 C ATOM 1329 CG LYS A 80 0.261 9.701 5.307 1.00 52.10 C ATOM 1330 CD LYS A 80 -1.231 9.708 4.974 1.00 71.43 C ATOM 1331 CE LYS A 80 -1.481 9.749 3.470 1.00 75.41 C ATOM 1332 NZ LYS A 80 -1.020 11.027 2.861 1.00 44.21 N ATOM 0 H LYS A 80 1.659 7.645 6.919 1.00 4.55 H new ATOM 0 HA LYS A 80 2.593 10.260 6.515 1.00 5.44 H new ATOM 0 HB2 LYS A 80 -0.086 9.099 7.336 1.00 33.42 H new ATOM 0 HB3 LYS A 80 0.138 10.825 7.129 1.00 33.42 H new ATOM 0 HG2 LYS A 80 0.757 10.514 4.776 1.00 52.10 H new ATOM 0 HG3 LYS A 80 0.708 8.771 4.956 1.00 52.10 H new ATOM 0 HD2 LYS A 80 -1.701 8.819 5.395 1.00 71.43 H new ATOM 0 HD3 LYS A 80 -1.703 10.571 5.444 1.00 71.43 H new ATOM 0 HE2 LYS A 80 -0.966 8.915 2.994 1.00 75.41 H new ATOM 0 HE3 LYS A 80 -2.546 9.619 3.276 1.00 75.41 H new ATOM 0 HZ1 LYS A 80 -1.400 11.109 1.896 1.00 44.21 H new ATOM 0 HZ2 LYS A 80 -1.357 11.826 3.435 1.00 44.21 H new ATOM 0 HZ3 LYS A 80 0.019 11.040 2.826 1.00 44.21 H new ATOM 1346 N GLY A 81 1.942 9.484 9.647 1.00 52.02 N ATOM 1347 CA GLY A 81 2.189 9.903 11.021 1.00 43.33 C ATOM 1348 C GLY A 81 3.671 10.139 11.296 1.00 42.20 C ATOM 1349 O GLY A 81 4.043 11.087 11.989 1.00 44.13 O ATOM 0 H GLY A 81 1.576 8.537 9.551 1.00 52.02 H new ATOM 0 HA2 GLY A 81 1.633 10.818 11.225 1.00 43.33 H new ATOM 0 HA3 GLY A 81 1.811 9.142 11.704 1.00 43.33 H new ATOM 1353 N ALA A 82 4.518 9.267 10.751 1.00 10.03 N ATOM 1354 CA ALA A 82 5.972 9.437 10.845 1.00 2.31 C ATOM 1355 C ALA A 82 6.424 10.729 10.145 1.00 40.45 C ATOM 1356 O ALA A 82 7.162 11.534 10.717 1.00 32.44 O ATOM 1357 CB ALA A 82 6.686 8.226 10.249 1.00 2.13 C ATOM 0 H ALA A 82 4.225 8.435 10.239 1.00 10.03 H new ATOM 0 HA ALA A 82 6.238 9.516 11.899 1.00 2.31 H new ATOM 0 HB1 ALA A 82 7.764 8.365 10.325 1.00 2.13 H new ATOM 0 HB2 ALA A 82 6.397 7.328 10.795 1.00 2.13 H new ATOM 0 HB3 ALA A 82 6.407 8.119 9.201 1.00 2.13 H new ATOM 1363 N VAL A 83 5.961 10.927 8.907 1.00 5.43 N ATOM 1364 CA VAL A 83 6.258 12.151 8.148 1.00 22.23 C ATOM 1365 C VAL A 83 5.825 13.402 8.931 1.00 3.41 C ATOM 1366 O VAL A 83 6.479 14.447 8.871 1.00 35.40 O ATOM 1367 CB VAL A 83 5.556 12.142 6.762 1.00 5.04 C ATOM 1368 CG1 VAL A 83 5.863 13.418 5.974 1.00 24.23 C ATOM 1369 CG2 VAL A 83 5.960 10.907 5.957 1.00 3.31 C ATOM 0 H VAL A 83 5.378 10.256 8.407 1.00 5.43 H new ATOM 0 HA VAL A 83 7.337 12.180 7.994 1.00 22.23 H new ATOM 0 HB VAL A 83 4.481 12.105 6.937 1.00 5.04 H new ATOM 0 HG11 VAL A 83 5.357 13.380 5.009 1.00 24.23 H new ATOM 0 HG12 VAL A 83 5.512 14.285 6.534 1.00 24.23 H new ATOM 0 HG13 VAL A 83 6.939 13.499 5.817 1.00 24.23 H new ATOM 0 HG21 VAL A 83 5.456 10.922 4.990 1.00 3.31 H new ATOM 0 HG22 VAL A 83 7.039 10.909 5.804 1.00 3.31 H new ATOM 0 HG23 VAL A 83 5.673 10.008 6.502 1.00 3.31 H new ATOM 1379 N ALA A 84 4.722 13.283 9.672 1.00 71.45 N ATOM 1380 CA ALA A 84 4.253 14.361 10.546 1.00 11.11 C ATOM 1381 C ALA A 84 5.302 14.714 11.612 1.00 3.34 C ATOM 1382 O ALA A 84 5.534 15.889 11.903 1.00 22.30 O ATOM 1383 CB ALA A 84 2.934 13.970 11.205 1.00 12.13 C ATOM 0 H ALA A 84 4.135 12.449 9.685 1.00 71.45 H new ATOM 0 HA ALA A 84 4.093 15.247 9.931 1.00 11.11 H new ATOM 0 HB1 ALA A 84 2.596 14.780 11.852 1.00 12.13 H new ATOM 0 HB2 ALA A 84 2.184 13.783 10.436 1.00 12.13 H new ATOM 0 HB3 ALA A 84 3.077 13.067 11.799 1.00 12.13 H new ATOM 1389 N ASN A 85 5.943 13.687 12.179 1.00 11.40 N ATOM 1390 CA ASN A 85 6.996 13.884 13.186 1.00 4.24 C ATOM 1391 C ASN A 85 8.269 14.455 12.547 1.00 22.25 C ATOM 1392 O ASN A 85 8.995 15.227 13.168 1.00 65.41 O ATOM 1393 CB ASN A 85 7.325 12.560 13.885 1.00 60.21 C ATOM 1394 CG ASN A 85 6.112 11.906 14.520 1.00 72.11 C ATOM 1395 OD1 ASN A 85 5.169 12.568 14.940 1.00 10.32 O ATOM 1396 ND2 ASN A 85 6.131 10.596 14.596 1.00 0.34 N ATOM 0 H ASN A 85 5.752 12.709 11.959 1.00 11.40 H new ATOM 0 HA ASN A 85 6.622 14.597 13.921 1.00 4.24 H new ATOM 0 HB2 ASN A 85 7.764 11.873 13.161 1.00 60.21 H new ATOM 0 HB3 ASN A 85 8.078 12.738 14.653 1.00 60.21 H new ATOM 0 HD21 ASN A 85 5.345 10.098 15.014 1.00 0.34 H new ATOM 0 HD22 ASN A 85 6.931 10.076 14.237 1.00 0.34 H new ATOM 1403 N ALA A 86 8.530 14.071 11.298 1.00 21.04 N ATOM 1404 CA ALA A 86 9.686 14.581 10.550 1.00 30.14 C ATOM 1405 C ALA A 86 9.658 16.115 10.426 1.00 35.21 C ATOM 1406 O ALA A 86 10.688 16.751 10.197 1.00 34.40 O ATOM 1407 CB ALA A 86 9.741 13.940 9.170 1.00 2.51 C ATOM 0 H ALA A 86 7.956 13.406 10.779 1.00 21.04 H new ATOM 0 HA ALA A 86 10.584 14.315 11.107 1.00 30.14 H new ATOM 0 HB1 ALA A 86 10.602 14.325 8.624 1.00 2.51 H new ATOM 0 HB2 ALA A 86 9.832 12.859 9.274 1.00 2.51 H new ATOM 0 HB3 ALA A 86 8.829 14.176 8.622 1.00 2.51 H new ATOM 1413 N ALA A 87 8.470 16.701 10.577 1.00 62.21 N ATOM 1414 CA ALA A 87 8.308 18.158 10.524 1.00 51.31 C ATOM 1415 C ALA A 87 8.872 18.846 11.782 1.00 11.42 C ATOM 1416 O ALA A 87 8.981 20.069 11.828 1.00 74.45 O ATOM 1417 CB ALA A 87 6.835 18.513 10.337 1.00 0.11 C ATOM 0 H ALA A 87 7.602 16.189 10.737 1.00 62.21 H new ATOM 0 HA ALA A 87 8.879 18.525 9.671 1.00 51.31 H new ATOM 0 HB1 ALA A 87 6.724 19.597 10.299 1.00 0.11 H new ATOM 0 HB2 ALA A 87 6.471 18.078 9.406 1.00 0.11 H new ATOM 0 HB3 ALA A 87 6.257 18.118 11.172 1.00 0.11 H new ATOM 1423 N CYS A 88 9.228 18.057 12.798 1.00 54.31 N ATOM 1424 CA CYS A 88 9.787 18.601 14.047 1.00 1.41 C ATOM 1425 C CYS A 88 11.323 18.532 14.052 1.00 22.23 C ATOM 1426 O CYS A 88 11.965 18.857 15.051 1.00 12.32 O ATOM 1427 CB CYS A 88 9.242 17.835 15.264 1.00 74.42 C ATOM 1428 SG CYS A 88 10.060 16.250 15.574 1.00 15.41 S ATOM 0 H CYS A 88 9.141 17.041 12.785 1.00 54.31 H new ATOM 0 HA CYS A 88 9.483 19.646 14.108 1.00 1.41 H new ATOM 0 HB2 CYS A 88 9.344 18.463 16.149 1.00 74.42 H new ATOM 0 HB3 CYS A 88 8.176 17.658 15.120 1.00 74.42 H new ATOM 0 HG CYS A 88 9.880 15.462 14.556 1.00 15.41 H new ATOM 1434 N LEU A 89 11.909 18.108 12.933 1.00 33.23 N ATOM 1435 CA LEU A 89 13.370 17.971 12.825 1.00 71.21 C ATOM 1436 C LEU A 89 14.050 19.317 12.510 1.00 32.51 C ATOM 1437 O LEU A 89 13.505 20.137 11.769 1.00 61.30 O ATOM 1438 CB LEU A 89 13.723 16.946 11.738 1.00 2.23 C ATOM 1439 CG LEU A 89 13.230 15.512 11.995 1.00 21.12 C ATOM 1440 CD1 LEU A 89 13.613 14.595 10.835 1.00 4.41 C ATOM 1441 CD2 LEU A 89 13.782 14.979 13.318 1.00 21.44 C ATOM 0 H LEU A 89 11.400 17.853 12.087 1.00 33.23 H new ATOM 0 HA LEU A 89 13.740 17.627 13.791 1.00 71.21 H new ATOM 0 HB2 LEU A 89 13.308 17.290 10.790 1.00 2.23 H new ATOM 0 HB3 LEU A 89 14.807 16.924 11.622 1.00 2.23 H new ATOM 0 HG LEU A 89 12.143 15.531 12.067 1.00 21.12 H new ATOM 0 HD11 LEU A 89 13.255 13.585 11.036 1.00 4.41 H new ATOM 0 HD12 LEU A 89 13.160 14.964 9.915 1.00 4.41 H new ATOM 0 HD13 LEU A 89 14.697 14.581 10.725 1.00 4.41 H new ATOM 0 HD21 LEU A 89 13.421 13.963 13.480 1.00 21.44 H new ATOM 0 HD22 LEU A 89 14.871 14.975 13.283 1.00 21.44 H new ATOM 0 HD23 LEU A 89 13.448 15.618 14.135 1.00 21.44 H new ATOM 1453 N PRO A 90 15.258 19.559 13.068 1.00 14.32 N ATOM 1454 CA PRO A 90 16.012 20.807 12.828 1.00 61.03 C ATOM 1455 C PRO A 90 16.403 20.996 11.351 1.00 3.45 C ATOM 1456 O PRO A 90 16.350 22.109 10.820 1.00 52.20 O ATOM 1457 CB PRO A 90 17.264 20.651 13.711 1.00 71.13 C ATOM 1458 CG PRO A 90 17.385 19.182 13.955 1.00 30.51 C ATOM 1459 CD PRO A 90 15.978 18.653 13.986 1.00 24.52 C ATOM 0 HA PRO A 90 15.416 21.688 13.067 1.00 61.03 H new ATOM 0 HB2 PRO A 90 18.150 21.042 13.212 1.00 71.13 H new ATOM 0 HB3 PRO A 90 17.157 21.199 14.647 1.00 71.13 H new ATOM 0 HG2 PRO A 90 17.966 18.702 13.168 1.00 30.51 H new ATOM 0 HG3 PRO A 90 17.898 18.983 14.896 1.00 30.51 H new ATOM 0 HD2 PRO A 90 15.930 17.617 13.650 1.00 24.52 H new ATOM 0 HD3 PRO A 90 15.559 18.682 14.992 1.00 24.52 H new ATOM 1467 N GLU A 91 16.802 19.909 10.691 1.00 10.45 N ATOM 1468 CA GLU A 91 17.154 19.959 9.265 1.00 21.42 C ATOM 1469 C GLU A 91 15.921 20.150 8.380 1.00 5.11 C ATOM 1470 O GLU A 91 15.929 20.977 7.470 1.00 21.30 O ATOM 1471 CB GLU A 91 17.873 18.676 8.828 1.00 31.34 C ATOM 1472 CG GLU A 91 19.327 18.587 9.257 1.00 74.44 C ATOM 1473 CD GLU A 91 19.506 18.533 10.767 1.00 12.43 C ATOM 1474 OE1 GLU A 91 19.334 17.444 11.349 1.00 71.23 O ATOM 1475 OE2 GLU A 91 19.814 19.573 11.376 1.00 32.32 O ATOM 0 H GLU A 91 16.891 18.986 11.115 1.00 10.45 H new ATOM 0 HA GLU A 91 17.817 20.815 9.142 1.00 21.42 H new ATOM 0 HB2 GLU A 91 17.336 17.818 9.233 1.00 31.34 H new ATOM 0 HB3 GLU A 91 17.823 18.600 7.742 1.00 31.34 H new ATOM 0 HG2 GLU A 91 19.776 17.699 8.813 1.00 74.44 H new ATOM 0 HG3 GLU A 91 19.868 19.448 8.864 1.00 74.44 H new ATOM 1482 N LEU A 92 14.888 19.339 8.631 1.00 75.21 N ATOM 1483 CA LEU A 92 13.670 19.312 7.803 1.00 53.33 C ATOM 1484 C LEU A 92 13.939 18.587 6.459 1.00 13.24 C ATOM 1485 O LEU A 92 13.011 18.135 5.791 1.00 53.23 O ATOM 1486 CB LEU A 92 13.133 20.754 7.587 1.00 24.03 C ATOM 1487 CG LEU A 92 11.642 20.909 7.193 1.00 71.51 C ATOM 1488 CD1 LEU A 92 11.397 20.568 5.725 1.00 72.30 C ATOM 1489 CD2 LEU A 92 10.753 20.060 8.102 1.00 33.11 C ATOM 0 H LEU A 92 14.869 18.683 9.412 1.00 75.21 H new ATOM 0 HA LEU A 92 12.898 18.748 8.326 1.00 53.33 H new ATOM 0 HB2 LEU A 92 13.299 21.316 8.506 1.00 24.03 H new ATOM 0 HB3 LEU A 92 13.737 21.226 6.812 1.00 24.03 H new ATOM 0 HG LEU A 92 11.379 21.958 7.328 1.00 71.51 H new ATOM 0 HD11 LEU A 92 10.339 20.691 5.495 1.00 72.30 H new ATOM 0 HD12 LEU A 92 11.985 21.234 5.094 1.00 72.30 H new ATOM 0 HD13 LEU A 92 11.692 19.536 5.537 1.00 72.30 H new ATOM 0 HD21 LEU A 92 9.710 20.183 7.809 1.00 33.11 H new ATOM 0 HD22 LEU A 92 11.035 19.011 8.010 1.00 33.11 H new ATOM 0 HD23 LEU A 92 10.879 20.380 9.136 1.00 33.11 H new ATOM 1501 N ILE A 93 15.217 18.424 6.099 1.00 4.31 N ATOM 1502 CA ILE A 93 15.595 17.810 4.818 1.00 71.40 C ATOM 1503 C ILE A 93 15.027 16.384 4.675 1.00 63.14 C ATOM 1504 O ILE A 93 14.461 16.028 3.637 1.00 11.42 O ATOM 1505 CB ILE A 93 17.135 17.766 4.661 1.00 4.23 C ATOM 1506 CG1 ILE A 93 17.740 19.169 4.855 1.00 42.40 C ATOM 1507 CG2 ILE A 93 17.529 17.189 3.302 1.00 1.35 C ATOM 1508 CD1 ILE A 93 17.240 20.204 3.870 1.00 1.11 C ATOM 0 H ILE A 93 16.009 18.708 6.676 1.00 4.31 H new ATOM 0 HA ILE A 93 15.167 18.432 4.032 1.00 71.40 H new ATOM 0 HB ILE A 93 17.536 17.110 5.434 1.00 4.23 H new ATOM 0 HG12 ILE A 93 17.519 19.510 5.866 1.00 42.40 H new ATOM 0 HG13 ILE A 93 18.825 19.099 4.772 1.00 42.40 H new ATOM 0 HG21 ILE A 93 18.615 17.169 3.216 1.00 1.35 H new ATOM 0 HG22 ILE A 93 17.139 16.175 3.210 1.00 1.35 H new ATOM 0 HG23 ILE A 93 17.114 17.811 2.509 1.00 1.35 H new ATOM 0 HD11 ILE A 93 17.716 21.163 4.077 1.00 1.11 H new ATOM 0 HD12 ILE A 93 17.485 19.889 2.856 1.00 1.11 H new ATOM 0 HD13 ILE A 93 16.159 20.307 3.967 1.00 1.11 H new ATOM 1520 N LEU A 94 15.179 15.576 5.728 1.00 64.43 N ATOM 1521 CA LEU A 94 14.630 14.212 5.752 1.00 42.41 C ATOM 1522 C LEU A 94 13.119 14.211 5.472 1.00 11.33 C ATOM 1523 O LEU A 94 12.607 13.331 4.782 1.00 32.22 O ATOM 1524 CB LEU A 94 14.917 13.557 7.113 1.00 43.23 C ATOM 1525 CG LEU A 94 14.302 12.163 7.335 1.00 34.24 C ATOM 1526 CD1 LEU A 94 14.778 11.173 6.275 1.00 3.23 C ATOM 1527 CD2 LEU A 94 14.631 11.650 8.736 1.00 3.44 C ATOM 0 H LEU A 94 15.678 15.841 6.577 1.00 64.43 H new ATOM 0 HA LEU A 94 15.116 13.637 4.964 1.00 42.41 H new ATOM 0 HB2 LEU A 94 15.997 13.479 7.236 1.00 43.23 H new ATOM 0 HB3 LEU A 94 14.554 14.221 7.897 1.00 43.23 H new ATOM 0 HG LEU A 94 13.220 12.255 7.243 1.00 34.24 H new ATOM 0 HD11 LEU A 94 14.327 10.198 6.459 1.00 3.23 H new ATOM 0 HD12 LEU A 94 14.484 11.528 5.287 1.00 3.23 H new ATOM 0 HD13 LEU A 94 15.863 11.085 6.321 1.00 3.23 H new ATOM 0 HD21 LEU A 94 14.188 10.664 8.876 1.00 3.44 H new ATOM 0 HD22 LEU A 94 15.712 11.582 8.854 1.00 3.44 H new ATOM 0 HD23 LEU A 94 14.227 12.337 9.479 1.00 3.44 H new ATOM 1539 N HIS A 95 12.419 15.222 5.991 1.00 30.43 N ATOM 1540 CA HIS A 95 10.969 15.342 5.807 1.00 3.24 C ATOM 1541 C HIS A 95 10.594 15.424 4.318 1.00 61.54 C ATOM 1542 O HIS A 95 9.578 14.870 3.891 1.00 75.43 O ATOM 1543 CB HIS A 95 10.445 16.579 6.551 1.00 15.22 C ATOM 1544 CG HIS A 95 8.979 16.829 6.370 1.00 72.33 C ATOM 1545 ND1 HIS A 95 7.905 16.301 7.000 1.00 33.42 N flip ATOM 1546 CD2 HIS A 95 8.476 17.727 5.454 1.00 12.42 C flip ATOM 1547 CE1 HIS A 95 6.790 16.887 6.458 1.00 21.41 C flip ATOM 1548 NE2 HIS A 95 7.162 17.742 5.529 1.00 61.41 N flip ATOM 0 H HIS A 95 12.833 15.972 6.544 1.00 30.43 H new ATOM 0 HA HIS A 95 10.504 14.447 6.220 1.00 3.24 H new ATOM 0 HB2 HIS A 95 10.654 16.465 7.615 1.00 15.22 H new ATOM 0 HB3 HIS A 95 10.996 17.455 6.210 1.00 15.22 H new ATOM 0 HD2 HIS A 95 9.069 18.326 4.779 1.00 12.42 H new ATOM 0 HE1 HIS A 95 5.770 16.680 6.747 1.00 21.41 H new ATOM 0 HE2 HIS A 95 6.538 18.318 4.964 1.00 61.41 H new ATOM 1557 N ASN A 96 11.418 16.116 3.535 1.00 24.41 N ATOM 1558 CA ASN A 96 11.186 16.248 2.093 1.00 3.14 C ATOM 1559 C ASN A 96 11.483 14.921 1.368 1.00 4.41 C ATOM 1560 O ASN A 96 10.732 14.494 0.488 1.00 51.34 O ATOM 1561 CB ASN A 96 12.056 17.375 1.518 1.00 51.13 C ATOM 1562 CG ASN A 96 11.688 17.731 0.087 1.00 72.23 C ATOM 1563 OD1 ASN A 96 10.534 17.627 -0.319 1.00 35.01 O ATOM 1564 ND2 ASN A 96 12.660 18.171 -0.684 1.00 14.41 N ATOM 0 H ASN A 96 12.253 16.595 3.872 1.00 24.41 H new ATOM 0 HA ASN A 96 10.137 16.496 1.935 1.00 3.14 H new ATOM 0 HB2 ASN A 96 11.956 18.261 2.145 1.00 51.13 H new ATOM 0 HB3 ASN A 96 13.103 17.075 1.555 1.00 51.13 H new ATOM 0 HD21 ASN A 96 12.465 18.437 -1.649 1.00 14.41 H new ATOM 0 HD22 ASN A 96 13.608 18.246 -0.316 1.00 14.41 H new ATOM 1571 N LYS A 97 12.573 14.265 1.763 1.00 74.42 N ATOM 1572 CA LYS A 97 12.983 12.993 1.153 1.00 71.02 C ATOM 1573 C LYS A 97 11.967 11.869 1.420 1.00 41.22 C ATOM 1574 O LYS A 97 11.626 11.099 0.522 1.00 25.02 O ATOM 1575 CB LYS A 97 14.365 12.579 1.680 1.00 62.53 C ATOM 1576 CG LYS A 97 15.489 13.531 1.286 1.00 12.34 C ATOM 1577 CD LYS A 97 16.825 13.105 1.889 1.00 33.33 C ATOM 1578 CE LYS A 97 17.978 13.944 1.354 1.00 62.31 C ATOM 1579 NZ LYS A 97 18.155 13.772 -0.111 1.00 61.32 N ATOM 0 H LYS A 97 13.192 14.591 2.505 1.00 74.42 H new ATOM 0 HA LYS A 97 13.029 13.148 0.075 1.00 71.02 H new ATOM 0 HB2 LYS A 97 14.323 12.513 2.767 1.00 62.53 H new ATOM 0 HB3 LYS A 97 14.600 11.582 1.309 1.00 62.53 H new ATOM 0 HG2 LYS A 97 15.574 13.565 0.200 1.00 12.34 H new ATOM 0 HG3 LYS A 97 15.245 14.540 1.618 1.00 12.34 H new ATOM 0 HD2 LYS A 97 16.780 13.198 2.974 1.00 33.33 H new ATOM 0 HD3 LYS A 97 17.006 12.054 1.666 1.00 33.33 H new ATOM 0 HE2 LYS A 97 17.796 14.995 1.577 1.00 62.31 H new ATOM 0 HE3 LYS A 97 18.899 13.664 1.866 1.00 62.31 H new ATOM 0 HZ1 LYS A 97 19.090 14.130 -0.392 1.00 61.32 H new ATOM 0 HZ2 LYS A 97 18.083 12.763 -0.353 1.00 61.32 H new ATOM 0 HZ3 LYS A 97 17.416 14.302 -0.615 1.00 61.32 H new ATOM 1593 N MET A 98 11.477 11.780 2.651 1.00 32.31 N ATOM 1594 CA MET A 98 10.545 10.713 3.023 1.00 32.42 C ATOM 1595 C MET A 98 9.145 10.939 2.426 1.00 62.43 C ATOM 1596 O MET A 98 8.376 9.994 2.273 1.00 42.54 O ATOM 1597 CB MET A 98 10.465 10.577 4.551 1.00 72.51 C ATOM 1598 CG MET A 98 9.814 11.759 5.253 1.00 43.31 C ATOM 1599 SD MET A 98 10.009 11.694 7.045 1.00 53.23 S ATOM 1600 CE MET A 98 9.320 10.081 7.424 1.00 11.01 C ATOM 0 H MET A 98 11.705 12.427 3.406 1.00 32.31 H new ATOM 0 HA MET A 98 10.930 9.783 2.606 1.00 32.42 H new ATOM 0 HB2 MET A 98 9.907 9.673 4.795 1.00 72.51 H new ATOM 0 HB3 MET A 98 11.473 10.446 4.945 1.00 72.51 H new ATOM 0 HG2 MET A 98 10.249 12.685 4.877 1.00 43.31 H new ATOM 0 HG3 MET A 98 8.752 11.783 5.007 1.00 43.31 H new ATOM 0 HE1 MET A 98 8.634 10.167 8.266 1.00 11.01 H new ATOM 0 HE2 MET A 98 8.782 9.702 6.555 1.00 11.01 H new ATOM 0 HE3 MET A 98 10.125 9.393 7.681 1.00 11.01 H new ATOM 1610 N LYS A 99 8.807 12.186 2.084 1.00 63.50 N ATOM 1611 CA LYS A 99 7.493 12.468 1.489 1.00 34.20 C ATOM 1612 C LYS A 99 7.504 12.268 -0.039 1.00 2.53 C ATOM 1613 O LYS A 99 6.537 11.754 -0.601 1.00 61.45 O ATOM 1614 CB LYS A 99 6.996 13.884 1.832 1.00 32.23 C ATOM 1615 CG LYS A 99 7.782 15.013 1.171 1.00 53.01 C ATOM 1616 CD LYS A 99 7.027 16.341 1.229 1.00 65.53 C ATOM 1617 CE LYS A 99 5.698 16.263 0.480 1.00 23.23 C ATOM 1618 NZ LYS A 99 4.993 17.571 0.444 1.00 31.33 N ATOM 0 H LYS A 99 9.408 13.001 2.204 1.00 63.50 H new ATOM 0 HA LYS A 99 6.799 11.750 1.926 1.00 34.20 H new ATOM 0 HB2 LYS A 99 5.950 13.968 1.539 1.00 32.23 H new ATOM 0 HB3 LYS A 99 7.036 14.016 2.913 1.00 32.23 H new ATOM 0 HG2 LYS A 99 8.747 15.122 1.666 1.00 53.01 H new ATOM 0 HG3 LYS A 99 7.984 14.755 0.131 1.00 53.01 H new ATOM 0 HD2 LYS A 99 6.844 16.612 2.269 1.00 65.53 H new ATOM 0 HD3 LYS A 99 7.643 17.130 0.798 1.00 65.53 H new ATOM 0 HE2 LYS A 99 5.878 15.921 -0.539 1.00 23.23 H new ATOM 0 HE3 LYS A 99 5.058 15.521 0.957 1.00 23.23 H new ATOM 0 HZ1 LYS A 99 4.097 17.468 -0.074 1.00 31.33 H new ATOM 0 HZ2 LYS A 99 4.797 17.886 1.415 1.00 31.33 H new ATOM 0 HZ3 LYS A 99 5.591 18.275 -0.034 1.00 31.33 H new ATOM 1632 N ARG A 100 8.594 12.669 -0.714 1.00 51.21 N ATOM 1633 CA ARG A 100 8.686 12.521 -2.179 1.00 62.05 C ATOM 1634 C ARG A 100 8.495 11.058 -2.613 1.00 1.44 C ATOM 1635 O ARG A 100 7.749 10.774 -3.552 1.00 14.53 O ATOM 1636 CB ARG A 100 10.020 13.067 -2.726 1.00 65.14 C ATOM 1637 CG ARG A 100 11.262 12.538 -2.017 1.00 4.53 C ATOM 1638 CD ARG A 100 12.502 12.583 -2.907 1.00 4.51 C ATOM 1639 NE ARG A 100 12.515 11.471 -3.853 1.00 1.44 N ATOM 1640 CZ ARG A 100 13.161 11.459 -4.982 1.00 14.53 C ATOM 1641 NH1 ARG A 100 13.769 12.516 -5.419 1.00 24.33 N ATOM 1642 NH2 ARG A 100 13.162 10.381 -5.691 1.00 23.11 N ATOM 0 H ARG A 100 9.413 13.092 -0.278 1.00 51.21 H new ATOM 0 HA ARG A 100 7.876 13.114 -2.604 1.00 62.05 H new ATOM 0 HB2 ARG A 100 10.091 12.821 -3.786 1.00 65.14 H new ATOM 0 HB3 ARG A 100 10.010 14.154 -2.651 1.00 65.14 H new ATOM 0 HG2 ARG A 100 11.442 13.126 -1.117 1.00 4.53 H new ATOM 0 HG3 ARG A 100 11.085 11.511 -1.696 1.00 4.53 H new ATOM 0 HD2 ARG A 100 12.528 13.527 -3.451 1.00 4.51 H new ATOM 0 HD3 ARG A 100 13.398 12.547 -2.288 1.00 4.51 H new ATOM 0 HE ARG A 100 11.976 10.640 -3.610 1.00 1.44 H new ATOM 0 HH11 ARG A 100 13.747 13.379 -4.875 1.00 24.33 H new ATOM 0 HH12 ARG A 100 14.270 12.486 -6.307 1.00 24.33 H new ATOM 0 HH21 ARG A 100 12.661 9.555 -5.364 1.00 23.11 H new ATOM 0 HH22 ARG A 100 13.664 10.355 -6.579 1.00 23.11 H new ATOM 1656 N GLU A 101 9.156 10.133 -1.918 1.00 75.41 N ATOM 1657 CA GLU A 101 8.992 8.702 -2.198 1.00 51.15 C ATOM 1658 C GLU A 101 7.561 8.249 -1.867 1.00 22.34 C ATOM 1659 O GLU A 101 6.959 7.453 -2.592 1.00 32.32 O ATOM 1660 CB GLU A 101 10.009 7.881 -1.391 1.00 54.02 C ATOM 1661 CG GLU A 101 11.467 8.232 -1.683 1.00 21.03 C ATOM 1662 CD GLU A 101 11.884 7.918 -3.115 1.00 41.21 C ATOM 1663 OE1 GLU A 101 11.720 8.790 -3.995 1.00 13.22 O ATOM 1664 OE2 GLU A 101 12.395 6.802 -3.362 1.00 55.45 O ATOM 0 H GLU A 101 9.807 10.344 -1.161 1.00 75.41 H new ATOM 0 HA GLU A 101 9.171 8.535 -3.260 1.00 51.15 H new ATOM 0 HB2 GLU A 101 9.817 8.028 -0.328 1.00 54.02 H new ATOM 0 HB3 GLU A 101 9.853 6.823 -1.600 1.00 54.02 H new ATOM 0 HG2 GLU A 101 11.624 9.293 -1.490 1.00 21.03 H new ATOM 0 HG3 GLU A 101 12.111 7.684 -0.995 1.00 21.03 H new ATOM 1671 N LEU A 102 7.018 8.776 -0.769 1.00 3.31 N ATOM 1672 CA LEU A 102 5.642 8.475 -0.354 1.00 1.23 C ATOM 1673 C LEU A 102 4.623 8.895 -1.427 1.00 70.01 C ATOM 1674 O LEU A 102 3.580 8.260 -1.590 1.00 21.33 O ATOM 1675 CB LEU A 102 5.325 9.180 0.975 1.00 51.22 C ATOM 1676 CG LEU A 102 3.926 8.907 1.552 1.00 52.42 C ATOM 1677 CD1 LEU A 102 3.736 7.415 1.814 1.00 4.43 C ATOM 1678 CD2 LEU A 102 3.700 9.715 2.831 1.00 44.42 C ATOM 0 H LEU A 102 7.511 9.417 -0.147 1.00 3.31 H new ATOM 0 HA LEU A 102 5.563 7.396 -0.221 1.00 1.23 H new ATOM 0 HB2 LEU A 102 6.068 8.878 1.713 1.00 51.22 H new ATOM 0 HB3 LEU A 102 5.436 10.255 0.832 1.00 51.22 H new ATOM 0 HG LEU A 102 3.185 9.222 0.817 1.00 52.42 H new ATOM 0 HD11 LEU A 102 2.740 7.241 2.222 1.00 4.43 H new ATOM 0 HD12 LEU A 102 3.846 6.865 0.880 1.00 4.43 H new ATOM 0 HD13 LEU A 102 4.485 7.073 2.528 1.00 4.43 H new ATOM 0 HD21 LEU A 102 2.704 9.506 3.222 1.00 44.42 H new ATOM 0 HD22 LEU A 102 4.447 9.436 3.574 1.00 44.42 H new ATOM 0 HD23 LEU A 102 3.787 10.779 2.610 1.00 44.42 H new ATOM 1690 N GLN A 103 4.942 9.954 -2.176 1.00 74.44 N ATOM 1691 CA GLN A 103 4.047 10.453 -3.226 1.00 54.41 C ATOM 1692 C GLN A 103 3.881 9.430 -4.356 1.00 63.33 C ATOM 1693 O GLN A 103 2.928 9.503 -5.128 1.00 65.31 O ATOM 1694 CB GLN A 103 4.552 11.795 -3.780 1.00 35.44 C ATOM 1695 CG GLN A 103 4.596 12.905 -2.732 1.00 22.21 C ATOM 1696 CD GLN A 103 3.233 13.202 -2.126 1.00 65.23 C ATOM 1697 OE1 GLN A 103 2.516 14.094 -2.573 1.00 14.25 O ATOM 1698 NE2 GLN A 103 2.855 12.436 -1.123 1.00 13.43 N ATOM 0 H GLN A 103 5.809 10.481 -2.076 1.00 74.44 H new ATOM 0 HA GLN A 103 3.067 10.611 -2.776 1.00 54.41 H new ATOM 0 HB2 GLN A 103 5.551 11.656 -4.194 1.00 35.44 H new ATOM 0 HB3 GLN A 103 3.907 12.106 -4.602 1.00 35.44 H new ATOM 0 HG2 GLN A 103 5.287 12.621 -1.938 1.00 22.21 H new ATOM 0 HG3 GLN A 103 4.991 13.813 -3.188 1.00 22.21 H new ATOM 0 HE21 GLN A 103 3.476 11.705 -0.777 1.00 13.43 H new ATOM 0 HE22 GLN A 103 1.941 12.574 -0.692 1.00 13.43 H new ATOM 1707 N ARG A 104 4.813 8.483 -4.457 1.00 41.44 N ATOM 1708 CA ARG A 104 4.672 7.364 -5.392 1.00 4.13 C ATOM 1709 C ARG A 104 3.703 6.309 -4.840 1.00 34.45 C ATOM 1710 O ARG A 104 2.859 5.782 -5.569 1.00 12.00 O ATOM 1711 CB ARG A 104 6.038 6.732 -5.677 1.00 15.15 C ATOM 1712 CG ARG A 104 7.000 7.657 -6.417 1.00 5.22 C ATOM 1713 CD ARG A 104 6.448 8.071 -7.782 1.00 34.50 C ATOM 1714 NE ARG A 104 6.011 6.919 -8.577 1.00 61.21 N ATOM 1715 CZ ARG A 104 4.893 6.872 -9.260 1.00 32.11 C ATOM 1716 NH1 ARG A 104 4.091 7.891 -9.290 1.00 4.45 N ATOM 1717 NH2 ARG A 104 4.576 5.798 -9.907 1.00 70.21 N ATOM 0 H ARG A 104 5.671 8.467 -3.906 1.00 41.44 H new ATOM 0 HA ARG A 104 4.262 7.750 -6.325 1.00 4.13 H new ATOM 0 HB2 ARG A 104 6.492 6.430 -4.734 1.00 15.15 H new ATOM 0 HB3 ARG A 104 5.894 5.826 -6.266 1.00 15.15 H new ATOM 0 HG2 ARG A 104 7.186 8.546 -5.815 1.00 5.22 H new ATOM 0 HG3 ARG A 104 7.959 7.155 -6.549 1.00 5.22 H new ATOM 0 HD2 ARG A 104 5.609 8.752 -7.641 1.00 34.50 H new ATOM 0 HD3 ARG A 104 7.214 8.619 -8.331 1.00 34.50 H new ATOM 0 HE ARG A 104 6.618 6.099 -8.600 1.00 61.21 H new ATOM 0 HH11 ARG A 104 4.327 8.741 -8.779 1.00 4.45 H new ATOM 0 HH12 ARG A 104 3.224 7.842 -9.825 1.00 4.45 H new ATOM 0 HH21 ARG A 104 5.196 4.988 -9.886 1.00 70.21 H new ATOM 0 HH22 ARG A 104 3.706 5.761 -10.439 1.00 70.21 H new ATOM 1731 N VAL A 105 3.822 6.016 -3.546 1.00 4.04 N ATOM 1732 CA VAL A 105 2.938 5.052 -2.881 1.00 2.01 C ATOM 1733 C VAL A 105 1.483 5.558 -2.842 1.00 44.43 C ATOM 1734 O VAL A 105 0.536 4.784 -2.993 1.00 44.42 O ATOM 1735 CB VAL A 105 3.426 4.748 -1.441 1.00 43.24 C ATOM 1736 CG1 VAL A 105 2.548 3.691 -0.774 1.00 2.45 C ATOM 1737 CG2 VAL A 105 4.890 4.307 -1.454 1.00 13.23 C ATOM 0 H VAL A 105 4.523 6.432 -2.933 1.00 4.04 H new ATOM 0 HA VAL A 105 2.969 4.132 -3.465 1.00 2.01 H new ATOM 0 HB VAL A 105 3.347 5.664 -0.856 1.00 43.24 H new ATOM 0 HG11 VAL A 105 2.914 3.498 0.235 1.00 2.45 H new ATOM 0 HG12 VAL A 105 1.520 4.050 -0.725 1.00 2.45 H new ATOM 0 HG13 VAL A 105 2.583 2.770 -1.355 1.00 2.45 H new ATOM 0 HG21 VAL A 105 5.216 4.098 -0.435 1.00 13.23 H new ATOM 0 HG22 VAL A 105 4.994 3.407 -2.060 1.00 13.23 H new ATOM 0 HG23 VAL A 105 5.506 5.101 -1.876 1.00 13.23 H new ATOM 1747 N GLU A 106 1.306 6.861 -2.633 1.00 14.25 N ATOM 1748 CA GLU A 106 -0.024 7.474 -2.704 1.00 54.34 C ATOM 1749 C GLU A 106 -0.526 7.530 -4.155 1.00 45.32 C ATOM 1750 O GLU A 106 -1.706 7.295 -4.429 1.00 52.34 O ATOM 1751 CB GLU A 106 -0.006 8.888 -2.109 1.00 1.21 C ATOM 1752 CG GLU A 106 0.298 8.934 -0.615 1.00 65.24 C ATOM 1753 CD GLU A 106 -0.019 10.287 0.000 1.00 53.54 C ATOM 1754 OE1 GLU A 106 -1.221 10.619 0.114 1.00 3.23 O ATOM 1755 OE2 GLU A 106 0.917 11.024 0.373 1.00 75.51 O ATOM 0 H GLU A 106 2.060 7.512 -2.414 1.00 14.25 H new ATOM 0 HA GLU A 106 -0.704 6.854 -2.120 1.00 54.34 H new ATOM 0 HB2 GLU A 106 0.738 9.483 -2.638 1.00 1.21 H new ATOM 0 HB3 GLU A 106 -0.974 9.357 -2.286 1.00 1.21 H new ATOM 0 HG2 GLU A 106 -0.279 8.162 -0.106 1.00 65.24 H new ATOM 0 HG3 GLU A 106 1.351 8.703 -0.454 1.00 65.24 H new ATOM 1762 N ASP A 107 0.380 7.851 -5.079 1.00 61.35 N ATOM 1763 CA ASP A 107 0.054 7.900 -6.511 1.00 5.55 C ATOM 1764 C ASP A 107 -0.489 6.550 -7.010 1.00 35.40 C ATOM 1765 O ASP A 107 -1.406 6.502 -7.831 1.00 74.31 O ATOM 1766 CB ASP A 107 1.294 8.313 -7.314 1.00 64.03 C ATOM 1767 CG ASP A 107 0.991 8.600 -8.774 1.00 52.15 C ATOM 1768 OD1 ASP A 107 0.476 9.699 -9.071 1.00 13.52 O ATOM 1769 OD2 ASP A 107 1.290 7.745 -9.631 1.00 45.13 O ATOM 0 H ASP A 107 1.350 8.082 -4.864 1.00 61.35 H new ATOM 0 HA ASP A 107 -0.730 8.643 -6.658 1.00 5.55 H new ATOM 0 HB2 ASP A 107 1.735 9.200 -6.860 1.00 64.03 H new ATOM 0 HB3 ASP A 107 2.039 7.520 -7.253 1.00 64.03 H new ATOM 1774 N SER A 108 0.079 5.457 -6.509 1.00 11.30 N ATOM 1775 CA SER A 108 -0.422 4.118 -6.835 1.00 21.53 C ATOM 1776 C SER A 108 -1.786 3.872 -6.175 1.00 43.20 C ATOM 1777 O SER A 108 -2.745 3.486 -6.838 1.00 41.31 O ATOM 1778 CB SER A 108 0.572 3.037 -6.385 1.00 23.20 C ATOM 1779 OG SER A 108 0.716 3.019 -4.975 1.00 62.14 O ATOM 0 H SER A 108 0.881 5.467 -5.879 1.00 11.30 H new ATOM 0 HA SER A 108 -0.537 4.062 -7.917 1.00 21.53 H new ATOM 0 HB2 SER A 108 0.230 2.061 -6.729 1.00 23.20 H new ATOM 0 HB3 SER A 108 1.542 3.217 -6.849 1.00 23.20 H new ATOM 0 HG SER A 108 0.752 3.939 -4.638 1.00 62.14 H new ATOM 1785 N HIS A 109 -1.870 4.127 -4.870 1.00 61.01 N ATOM 1786 CA HIS A 109 -3.101 3.889 -4.097 1.00 73.45 C ATOM 1787 C HIS A 109 -4.327 4.593 -4.705 1.00 31.01 C ATOM 1788 O HIS A 109 -5.420 4.026 -4.744 1.00 63.42 O ATOM 1789 CB HIS A 109 -2.902 4.345 -2.644 1.00 3.52 C ATOM 1790 CG HIS A 109 -4.119 4.199 -1.772 1.00 73.32 C ATOM 1791 ND1 HIS A 109 -4.935 3.087 -1.775 1.00 33.35 N ATOM 1792 CD2 HIS A 109 -4.653 5.044 -0.857 1.00 22.32 C ATOM 1793 CE1 HIS A 109 -5.910 3.255 -0.903 1.00 21.45 C ATOM 1794 NE2 HIS A 109 -5.763 4.431 -0.333 1.00 1.13 N ATOM 0 H HIS A 109 -1.098 4.501 -4.318 1.00 61.01 H new ATOM 0 HA HIS A 109 -3.298 2.817 -4.128 1.00 73.45 H new ATOM 0 HB2 HIS A 109 -2.085 3.772 -2.205 1.00 3.52 H new ATOM 0 HB3 HIS A 109 -2.594 5.390 -2.644 1.00 3.52 H new ATOM 0 HD1 HIS A 109 -4.805 2.262 -2.361 1.00 33.35 H new ATOM 0 HD2 HIS A 109 -4.275 6.020 -0.590 1.00 22.32 H new ATOM 0 HE1 HIS A 109 -6.697 2.546 -0.692 1.00 21.45 H new ATOM 1803 N GLN A 110 -4.151 5.826 -5.171 1.00 55.22 N ATOM 1804 CA GLN A 110 -5.268 6.587 -5.736 1.00 64.52 C ATOM 1805 C GLN A 110 -5.793 5.957 -7.041 1.00 24.24 C ATOM 1806 O GLN A 110 -7.003 5.785 -7.200 1.00 74.41 O ATOM 1807 CB GLN A 110 -4.878 8.058 -5.948 1.00 31.33 C ATOM 1808 CG GLN A 110 -3.718 8.280 -6.908 1.00 62.31 C ATOM 1809 CD GLN A 110 -3.219 9.714 -6.890 1.00 61.24 C ATOM 1810 OE1 GLN A 110 -2.298 10.002 -5.994 1.00 72.24 O flip ATOM 1811 NE2 GLN A 110 -3.671 10.561 -7.652 1.00 24.41 N flip ATOM 0 H GLN A 110 -3.257 6.318 -5.171 1.00 55.22 H new ATOM 0 HA GLN A 110 -6.083 6.552 -5.013 1.00 64.52 H new ATOM 0 HB2 GLN A 110 -5.748 8.600 -6.320 1.00 31.33 H new ATOM 0 HB3 GLN A 110 -4.620 8.494 -4.983 1.00 31.33 H new ATOM 0 HG2 GLN A 110 -2.899 7.610 -6.646 1.00 62.31 H new ATOM 0 HG3 GLN A 110 -4.032 8.020 -7.919 1.00 62.31 H new ATOM 0 HE21 GLN A 110 -4.384 10.304 -8.335 1.00 24.41 H new ATOM 0 HE22 GLN A 110 -3.334 11.523 -7.603 1.00 24.41 H new ATOM 1820 N ILE A 111 -4.895 5.583 -7.961 1.00 31.44 N ATOM 1821 CA ILE A 111 -5.316 4.952 -9.223 1.00 52.13 C ATOM 1822 C ILE A 111 -5.879 3.539 -8.978 1.00 63.14 C ATOM 1823 O ILE A 111 -6.781 3.086 -9.689 1.00 55.12 O ATOM 1824 CB ILE A 111 -4.170 4.884 -10.271 1.00 32.44 C ATOM 1825 CG1 ILE A 111 -3.038 3.949 -9.807 1.00 51.41 C ATOM 1826 CG2 ILE A 111 -3.628 6.284 -10.557 1.00 33.32 C ATOM 1827 CD1 ILE A 111 -1.942 3.751 -10.838 1.00 20.22 C ATOM 0 H ILE A 111 -3.887 5.703 -7.861 1.00 31.44 H new ATOM 0 HA ILE A 111 -6.102 5.588 -9.631 1.00 52.13 H new ATOM 0 HB ILE A 111 -4.582 4.472 -11.192 1.00 32.44 H new ATOM 0 HG12 ILE A 111 -2.597 4.353 -8.896 1.00 51.41 H new ATOM 0 HG13 ILE A 111 -3.463 2.978 -9.552 1.00 51.41 H new ATOM 0 HG21 ILE A 111 -2.826 6.220 -11.293 1.00 33.32 H new ATOM 0 HG22 ILE A 111 -4.429 6.912 -10.947 1.00 33.32 H new ATOM 0 HG23 ILE A 111 -3.241 6.720 -9.636 1.00 33.32 H new ATOM 0 HD11 ILE A 111 -1.182 3.080 -10.437 1.00 20.22 H new ATOM 0 HD12 ILE A 111 -2.368 3.317 -11.743 1.00 20.22 H new ATOM 0 HD13 ILE A 111 -1.488 4.713 -11.076 1.00 20.22 H new ATOM 1839 N LEU A 112 -5.346 2.847 -7.966 1.00 15.22 N ATOM 1840 CA LEU A 112 -5.890 1.549 -7.544 1.00 14.14 C ATOM 1841 C LEU A 112 -7.355 1.693 -7.100 1.00 13.10 C ATOM 1842 O LEU A 112 -8.228 0.940 -7.533 1.00 64.02 O ATOM 1843 CB LEU A 112 -5.057 0.956 -6.393 1.00 34.03 C ATOM 1844 CG LEU A 112 -3.599 0.599 -6.734 1.00 4.41 C ATOM 1845 CD1 LEU A 112 -2.861 0.104 -5.491 1.00 5.12 C ATOM 1846 CD2 LEU A 112 -3.540 -0.443 -7.849 1.00 72.22 C ATOM 0 H LEU A 112 -4.541 3.161 -7.424 1.00 15.22 H new ATOM 0 HA LEU A 112 -5.843 0.874 -8.398 1.00 14.14 H new ATOM 0 HB2 LEU A 112 -5.053 1.669 -5.568 1.00 34.03 H new ATOM 0 HB3 LEU A 112 -5.557 0.056 -6.034 1.00 34.03 H new ATOM 0 HG LEU A 112 -3.103 1.502 -7.090 1.00 4.41 H new ATOM 0 HD11 LEU A 112 -1.832 -0.143 -5.753 1.00 5.12 H new ATOM 0 HD12 LEU A 112 -2.864 0.885 -4.731 1.00 5.12 H new ATOM 0 HD13 LEU A 112 -3.359 -0.784 -5.101 1.00 5.12 H new ATOM 0 HD21 LEU A 112 -2.499 -0.679 -8.072 1.00 72.22 H new ATOM 0 HD22 LEU A 112 -4.057 -1.348 -7.529 1.00 72.22 H new ATOM 0 HD23 LEU A 112 -4.022 -0.047 -8.743 1.00 72.22 H new ATOM 1858 N SER A 113 -7.614 2.675 -6.239 1.00 2.44 N ATOM 1859 CA SER A 113 -8.977 2.960 -5.774 1.00 2.31 C ATOM 1860 C SER A 113 -9.903 3.357 -6.934 1.00 34.10 C ATOM 1861 O SER A 113 -11.046 2.904 -7.007 1.00 4.03 O ATOM 1862 CB SER A 113 -8.972 4.074 -4.720 1.00 1.34 C ATOM 1863 OG SER A 113 -10.281 4.309 -4.216 1.00 50.11 O ATOM 0 H SER A 113 -6.900 3.289 -5.847 1.00 2.44 H new ATOM 0 HA SER A 113 -9.359 2.042 -5.328 1.00 2.31 H new ATOM 0 HB2 SER A 113 -8.307 3.800 -3.901 1.00 1.34 H new ATOM 0 HB3 SER A 113 -8.578 4.991 -5.158 1.00 1.34 H new ATOM 0 HG SER A 113 -10.250 5.022 -3.545 1.00 50.11 H new ATOM 1869 N GLN A 114 -9.406 4.205 -7.838 1.00 34.13 N ATOM 1870 CA GLN A 114 -10.187 4.640 -9.007 1.00 13.32 C ATOM 1871 C GLN A 114 -10.647 3.443 -9.855 1.00 75.52 C ATOM 1872 O GLN A 114 -11.820 3.349 -10.229 1.00 41.24 O ATOM 1873 CB GLN A 114 -9.371 5.612 -9.877 1.00 22.24 C ATOM 1874 CG GLN A 114 -9.061 6.946 -9.200 1.00 51.21 C ATOM 1875 CD GLN A 114 -10.305 7.750 -8.846 1.00 33.42 C ATOM 1876 OE1 GLN A 114 -11.346 7.637 -9.648 1.00 22.34 O flip ATOM 1877 NE2 GLN A 114 -10.328 8.482 -7.863 1.00 61.45 N flip ATOM 0 H GLN A 114 -8.469 4.605 -7.786 1.00 34.13 H new ATOM 0 HA GLN A 114 -11.072 5.154 -8.632 1.00 13.32 H new ATOM 0 HB2 GLN A 114 -8.433 5.132 -10.157 1.00 22.24 H new ATOM 0 HB3 GLN A 114 -9.919 5.804 -10.800 1.00 22.24 H new ATOM 0 HG2 GLN A 114 -8.488 6.759 -8.292 1.00 51.21 H new ATOM 0 HG3 GLN A 114 -8.429 7.541 -9.859 1.00 51.21 H new ATOM 0 HE21 GLN A 114 -9.509 8.551 -7.259 1.00 61.45 H new ATOM 0 HE22 GLN A 114 -11.166 9.022 -7.649 1.00 61.45 H new ATOM 1886 N THR A 115 -9.725 2.530 -10.153 1.00 64.41 N ATOM 1887 CA THR A 115 -10.049 1.333 -10.940 1.00 63.44 C ATOM 1888 C THR A 115 -11.013 0.417 -10.175 1.00 52.52 C ATOM 1889 O THR A 115 -12.097 0.099 -10.664 1.00 51.44 O ATOM 1890 CB THR A 115 -8.783 0.528 -11.318 1.00 1.04 C ATOM 1891 OG1 THR A 115 -8.124 0.062 -10.131 1.00 25.23 O ATOM 1892 CG2 THR A 115 -7.816 1.378 -12.138 1.00 13.32 C ATOM 0 H THR A 115 -8.749 2.592 -9.864 1.00 64.41 H new ATOM 0 HA THR A 115 -10.525 1.684 -11.856 1.00 63.44 H new ATOM 0 HB THR A 115 -9.094 -0.324 -11.923 1.00 1.04 H new ATOM 0 HG1 THR A 115 -7.734 0.823 -9.653 1.00 25.23 H new ATOM 0 HG21 THR A 115 -6.935 0.787 -12.390 1.00 13.32 H new ATOM 0 HG22 THR A 115 -8.307 1.706 -13.054 1.00 13.32 H new ATOM 0 HG23 THR A 115 -7.514 2.249 -11.556 1.00 13.32 H new ATOM 1900 N SER A 116 -10.620 0.021 -8.961 1.00 3.53 N ATOM 1901 CA SER A 116 -11.454 -0.844 -8.105 1.00 5.41 C ATOM 1902 C SER A 116 -12.890 -0.314 -7.972 1.00 64.24 C ATOM 1903 O SER A 116 -13.859 -1.060 -8.151 1.00 23.21 O ATOM 1904 CB SER A 116 -10.837 -0.979 -6.707 1.00 14.11 C ATOM 1905 OG SER A 116 -11.678 -1.741 -5.849 1.00 73.32 O ATOM 0 H SER A 116 -9.727 0.284 -8.543 1.00 3.53 H new ATOM 0 HA SER A 116 -11.492 -1.820 -8.588 1.00 5.41 H new ATOM 0 HB2 SER A 116 -9.860 -1.456 -6.782 1.00 14.11 H new ATOM 0 HB3 SER A 116 -10.677 0.011 -6.279 1.00 14.11 H new ATOM 0 HG SER A 116 -11.263 -1.814 -4.964 1.00 73.32 H new ATOM 1911 N HIS A 117 -13.026 0.974 -7.654 1.00 23.02 N ATOM 1912 CA HIS A 117 -14.346 1.600 -7.499 1.00 43.33 C ATOM 1913 C HIS A 117 -15.157 1.521 -8.804 1.00 73.11 C ATOM 1914 O HIS A 117 -16.341 1.187 -8.786 1.00 34.11 O ATOM 1915 CB HIS A 117 -14.195 3.065 -7.055 1.00 1.23 C ATOM 1916 CG HIS A 117 -15.500 3.754 -6.774 1.00 13.31 C ATOM 1917 ND1 HIS A 117 -16.062 3.813 -5.516 1.00 53.32 N ATOM 1918 CD2 HIS A 117 -16.363 4.404 -7.594 1.00 4.35 C ATOM 1919 CE1 HIS A 117 -17.209 4.459 -5.575 1.00 41.24 C ATOM 1920 NE2 HIS A 117 -17.414 4.829 -6.821 1.00 71.53 N ATOM 0 H HIS A 117 -12.241 1.606 -7.498 1.00 23.02 H new ATOM 0 HA HIS A 117 -14.889 1.051 -6.730 1.00 43.33 H new ATOM 0 HB2 HIS A 117 -13.576 3.101 -6.158 1.00 1.23 H new ATOM 0 HB3 HIS A 117 -13.664 3.617 -7.831 1.00 1.23 H new ATOM 0 HD2 HIS A 117 -16.245 4.558 -8.656 1.00 4.35 H new ATOM 0 HE1 HIS A 117 -17.869 4.652 -4.742 1.00 41.24 H new ATOM 0 HE2 HIS A 117 -18.224 5.349 -7.158 1.00 71.53 H new ATOM 1929 N ASP A 118 -14.513 1.823 -9.929 1.00 12.11 N ATOM 1930 CA ASP A 118 -15.175 1.782 -11.238 1.00 74.43 C ATOM 1931 C ASP A 118 -15.649 0.353 -11.577 1.00 75.31 C ATOM 1932 O ASP A 118 -16.766 0.152 -12.064 1.00 12.41 O ATOM 1933 CB ASP A 118 -14.216 2.305 -12.314 1.00 71.13 C ATOM 1934 CG ASP A 118 -14.887 2.490 -13.664 1.00 32.25 C ATOM 1935 OD1 ASP A 118 -15.615 3.489 -13.840 1.00 2.53 O ATOM 1936 OD2 ASP A 118 -14.673 1.655 -14.564 1.00 2.41 O ATOM 0 H ASP A 118 -13.532 2.100 -9.964 1.00 12.11 H new ATOM 0 HA ASP A 118 -16.058 2.421 -11.204 1.00 74.43 H new ATOM 0 HB2 ASP A 118 -13.797 3.257 -11.989 1.00 71.13 H new ATOM 0 HB3 ASP A 118 -13.383 1.610 -12.420 1.00 71.13 H new ATOM 1941 N LEU A 119 -14.796 -0.635 -11.300 1.00 63.04 N ATOM 1942 CA LEU A 119 -15.156 -2.046 -11.484 1.00 54.53 C ATOM 1943 C LEU A 119 -16.350 -2.419 -10.592 1.00 11.23 C ATOM 1944 O LEU A 119 -17.229 -3.186 -10.992 1.00 24.14 O ATOM 1945 CB LEU A 119 -13.964 -2.957 -11.155 1.00 4.40 C ATOM 1946 CG LEU A 119 -12.670 -2.677 -11.940 1.00 45.20 C ATOM 1947 CD1 LEU A 119 -11.579 -3.678 -11.559 1.00 30.22 C ATOM 1948 CD2 LEU A 119 -12.931 -2.698 -13.445 1.00 31.52 C ATOM 0 H LEU A 119 -13.851 -0.486 -10.947 1.00 63.04 H new ATOM 0 HA LEU A 119 -15.433 -2.188 -12.529 1.00 54.53 H new ATOM 0 HB2 LEU A 119 -13.747 -2.869 -10.090 1.00 4.40 H new ATOM 0 HB3 LEU A 119 -14.260 -3.990 -11.336 1.00 4.40 H new ATOM 0 HG LEU A 119 -12.320 -1.679 -11.675 1.00 45.20 H new ATOM 0 HD11 LEU A 119 -10.673 -3.462 -12.125 1.00 30.22 H new ATOM 0 HD12 LEU A 119 -11.368 -3.598 -10.493 1.00 30.22 H new ATOM 0 HD13 LEU A 119 -11.917 -4.689 -11.787 1.00 30.22 H new ATOM 0 HD21 LEU A 119 -12.002 -2.498 -13.978 1.00 31.52 H new ATOM 0 HD22 LEU A 119 -13.312 -3.677 -13.735 1.00 31.52 H new ATOM 0 HD23 LEU A 119 -13.666 -1.934 -13.697 1.00 31.52 H new ATOM 1960 N ASN A 120 -16.374 -1.858 -9.383 1.00 5.10 N ATOM 1961 CA ASN A 120 -17.481 -2.075 -8.446 1.00 14.52 C ATOM 1962 C ASN A 120 -18.790 -1.473 -8.992 1.00 53.14 C ATOM 1963 O ASN A 120 -19.855 -2.078 -8.879 1.00 15.24 O ATOM 1964 CB ASN A 120 -17.141 -1.472 -7.077 1.00 13.21 C ATOM 1965 CG ASN A 120 -18.122 -1.889 -5.995 1.00 53.34 C ATOM 1966 OD1 ASN A 120 -17.933 -2.901 -5.321 1.00 24.24 O ATOM 1967 ND2 ASN A 120 -19.178 -1.121 -5.819 1.00 23.34 N ATOM 0 H ASN A 120 -15.638 -1.248 -9.027 1.00 5.10 H new ATOM 0 HA ASN A 120 -17.627 -3.149 -8.330 1.00 14.52 H new ATOM 0 HB2 ASN A 120 -16.136 -1.779 -6.789 1.00 13.21 H new ATOM 0 HB3 ASN A 120 -17.132 -0.385 -7.155 1.00 13.21 H new ATOM 0 HD21 ASN A 120 -19.869 -1.359 -5.107 1.00 23.34 H new ATOM 0 HD22 ASN A 120 -19.305 -0.289 -6.395 1.00 23.34 H new ATOM 1974 N GLU A 121 -18.700 -0.285 -9.599 1.00 24.24 N ATOM 1975 CA GLU A 121 -19.868 0.352 -10.232 1.00 30.42 C ATOM 1976 C GLU A 121 -20.306 -0.430 -11.480 1.00 12.14 C ATOM 1977 O GLU A 121 -21.474 -0.400 -11.877 1.00 54.41 O ATOM 1978 CB GLU A 121 -19.568 1.816 -10.592 1.00 11.32 C ATOM 1979 CG GLU A 121 -19.028 2.628 -9.417 1.00 3.05 C ATOM 1980 CD GLU A 121 -19.137 4.133 -9.614 1.00 2.23 C ATOM 1981 OE1 GLU A 121 -18.581 4.660 -10.599 1.00 41.21 O ATOM 1982 OE2 GLU A 121 -19.768 4.801 -8.767 1.00 24.44 O ATOM 0 H GLU A 121 -17.837 0.255 -9.667 1.00 24.24 H new ATOM 0 HA GLU A 121 -20.687 0.339 -9.513 1.00 30.42 H new ATOM 0 HB2 GLU A 121 -18.844 1.842 -11.406 1.00 11.32 H new ATOM 0 HB3 GLU A 121 -20.479 2.286 -10.961 1.00 11.32 H new ATOM 0 HG2 GLU A 121 -19.570 2.348 -8.514 1.00 3.05 H new ATOM 0 HG3 GLU A 121 -17.982 2.366 -9.255 1.00 3.05 H new ATOM 1989 N CYS A 122 -19.356 -1.139 -12.088 1.00 21.24 N ATOM 1990 CA CYS A 122 -19.655 -2.084 -13.173 1.00 34.31 C ATOM 1991 C CYS A 122 -20.171 -3.419 -12.607 1.00 21.10 C ATOM 1992 O CYS A 122 -20.345 -4.393 -13.341 1.00 32.42 O ATOM 1993 CB CYS A 122 -18.404 -2.334 -14.026 1.00 51.44 C ATOM 1994 SG CYS A 122 -17.726 -0.853 -14.809 1.00 20.11 S ATOM 0 H CYS A 122 -18.366 -1.079 -11.849 1.00 21.24 H new ATOM 0 HA CYS A 122 -20.432 -1.644 -13.798 1.00 34.31 H new ATOM 0 HB2 CYS A 122 -17.635 -2.783 -13.398 1.00 51.44 H new ATOM 0 HB3 CYS A 122 -18.647 -3.061 -14.801 1.00 51.44 H new ATOM 0 HG CYS A 122 -17.201 -0.084 -13.902 1.00 20.11 H new ATOM 2000 N SER A 123 -20.389 -3.449 -11.285 1.00 74.44 N ATOM 2001 CA SER A 123 -20.900 -4.635 -10.574 1.00 62.14 C ATOM 2002 C SER A 123 -20.009 -5.866 -10.809 1.00 71.22 C ATOM 2003 O SER A 123 -20.445 -7.007 -10.633 1.00 50.50 O ATOM 2004 CB SER A 123 -22.350 -4.936 -10.995 1.00 44.14 C ATOM 2005 OG SER A 123 -22.957 -5.882 -10.124 1.00 4.51 O ATOM 0 H SER A 123 -20.216 -2.650 -10.675 1.00 74.44 H new ATOM 0 HA SER A 123 -20.882 -4.410 -9.508 1.00 62.14 H new ATOM 0 HB2 SER A 123 -22.930 -4.013 -10.993 1.00 44.14 H new ATOM 0 HB3 SER A 123 -22.362 -5.319 -12.016 1.00 44.14 H new ATOM 0 HG SER A 123 -22.338 -6.625 -9.965 1.00 4.51 H new ATOM 2011 N TRP A 124 -18.752 -5.618 -11.192 1.00 21.14 N ATOM 2012 CA TRP A 124 -17.797 -6.687 -11.516 1.00 11.01 C ATOM 2013 C TRP A 124 -18.376 -7.675 -12.545 1.00 43.41 C ATOM 2014 O TRP A 124 -18.030 -8.855 -12.557 1.00 24.10 O ATOM 2015 CB TRP A 124 -17.356 -7.412 -10.233 1.00 22.30 C ATOM 2016 CG TRP A 124 -16.401 -6.606 -9.398 1.00 70.41 C ATOM 2017 CD1 TRP A 124 -16.702 -5.557 -8.575 1.00 11.33 C ATOM 2018 CD2 TRP A 124 -14.981 -6.783 -9.318 1.00 64.03 C ATOM 2019 NE1 TRP A 124 -15.556 -5.077 -7.986 1.00 62.24 N ATOM 2020 CE2 TRP A 124 -14.487 -5.811 -8.428 1.00 20.42 C ATOM 2021 CE3 TRP A 124 -14.080 -7.673 -9.911 1.00 33.42 C ATOM 2022 CZ2 TRP A 124 -13.134 -5.702 -8.121 1.00 22.24 C ATOM 2023 CZ3 TRP A 124 -12.737 -7.564 -9.607 1.00 5.51 C ATOM 2024 CH2 TRP A 124 -12.275 -6.584 -8.718 1.00 72.41 C ATOM 0 H TRP A 124 -18.368 -4.678 -11.286 1.00 21.14 H new ATOM 0 HA TRP A 124 -16.920 -6.230 -11.974 1.00 11.01 H new ATOM 0 HB2 TRP A 124 -18.237 -7.652 -9.637 1.00 22.30 H new ATOM 0 HB3 TRP A 124 -16.886 -8.358 -10.501 1.00 22.30 H new ATOM 0 HD1 TRP A 124 -17.694 -5.163 -8.411 1.00 11.33 H new ATOM 0 HE1 TRP A 124 -15.509 -4.300 -7.327 1.00 62.24 H new ATOM 0 HE3 TRP A 124 -14.428 -8.433 -10.595 1.00 33.42 H new ATOM 0 HZ2 TRP A 124 -12.775 -4.948 -7.436 1.00 22.24 H new ATOM 0 HZ3 TRP A 124 -12.032 -8.244 -10.061 1.00 5.51 H new ATOM 0 HH2 TRP A 124 -11.219 -6.524 -8.500 1.00 72.41 H new ATOM 2035 N SER A 125 -19.237 -7.167 -13.428 1.00 32.44 N ATOM 2036 CA SER A 125 -19.865 -7.991 -14.468 1.00 22.45 C ATOM 2037 C SER A 125 -18.820 -8.665 -15.368 1.00 14.14 C ATOM 2038 O SER A 125 -17.978 -7.997 -15.979 1.00 23.25 O ATOM 2039 CB SER A 125 -20.810 -7.144 -15.329 1.00 61.34 C ATOM 2040 OG SER A 125 -21.402 -7.921 -16.360 1.00 71.01 O ATOM 0 H SER A 125 -19.518 -6.186 -13.446 1.00 32.44 H new ATOM 0 HA SER A 125 -20.434 -8.770 -13.961 1.00 22.45 H new ATOM 0 HB2 SER A 125 -21.590 -6.713 -14.701 1.00 61.34 H new ATOM 0 HB3 SER A 125 -20.259 -6.312 -15.768 1.00 61.34 H new ATOM 0 HG SER A 125 -21.718 -7.330 -17.075 1.00 71.01 H new ATOM 2046 N LEU A 126 -18.896 -9.992 -15.458 1.00 55.04 N ATOM 2047 CA LEU A 126 -17.957 -10.782 -16.268 1.00 2.30 C ATOM 2048 C LEU A 126 -17.912 -10.301 -17.727 1.00 65.41 C ATOM 2049 O LEU A 126 -16.893 -10.450 -18.404 1.00 4.42 O ATOM 2050 CB LEU A 126 -18.323 -12.278 -16.220 1.00 3.32 C ATOM 2051 CG LEU A 126 -17.991 -13.012 -14.903 1.00 20.22 C ATOM 2052 CD1 LEU A 126 -16.497 -12.921 -14.597 1.00 71.14 C ATOM 2053 CD2 LEU A 126 -18.816 -12.468 -13.738 1.00 52.12 C ATOM 0 H LEU A 126 -19.602 -10.550 -14.978 1.00 55.04 H new ATOM 0 HA LEU A 126 -16.965 -10.641 -15.838 1.00 2.30 H new ATOM 0 HB2 LEU A 126 -19.392 -12.377 -16.409 1.00 3.32 H new ATOM 0 HB3 LEU A 126 -17.807 -12.785 -17.036 1.00 3.32 H new ATOM 0 HG LEU A 126 -18.254 -14.062 -15.032 1.00 20.22 H new ATOM 0 HD11 LEU A 126 -16.284 -13.444 -13.665 1.00 71.14 H new ATOM 0 HD12 LEU A 126 -15.931 -13.379 -15.408 1.00 71.14 H new ATOM 0 HD13 LEU A 126 -16.209 -11.874 -14.499 1.00 71.14 H new ATOM 0 HD21 LEU A 126 -18.558 -13.007 -12.826 1.00 52.12 H new ATOM 0 HD22 LEU A 126 -18.603 -11.407 -13.605 1.00 52.12 H new ATOM 0 HD23 LEU A 126 -19.877 -12.601 -13.950 1.00 52.12 H new ATOM 2065 N ASN A 127 -19.012 -9.714 -18.195 1.00 23.12 N ATOM 2066 CA ASN A 127 -19.099 -9.192 -19.566 1.00 1.34 C ATOM 2067 C ASN A 127 -18.038 -8.109 -19.837 1.00 33.31 C ATOM 2068 O ASN A 127 -17.483 -8.030 -20.933 1.00 71.24 O ATOM 2069 CB ASN A 127 -20.498 -8.622 -19.835 1.00 24.25 C ATOM 2070 CG ASN A 127 -21.594 -9.652 -19.627 1.00 62.35 C ATOM 2071 OD1 ASN A 127 -21.924 -10.413 -20.527 1.00 35.42 O ATOM 2072 ND2 ASN A 127 -22.177 -9.677 -18.445 1.00 73.55 N ATOM 0 H ASN A 127 -19.861 -9.586 -17.645 1.00 23.12 H new ATOM 0 HA ASN A 127 -18.909 -10.027 -20.241 1.00 1.34 H new ATOM 0 HB2 ASN A 127 -20.673 -7.771 -19.176 1.00 24.25 H new ATOM 0 HB3 ASN A 127 -20.544 -8.248 -20.858 1.00 24.25 H new ATOM 0 HD21 ASN A 127 -22.926 -10.344 -18.260 1.00 73.55 H new ATOM 0 HD22 ASN A 127 -21.879 -9.029 -17.716 1.00 73.55 H new ATOM 2079 N ILE A 128 -17.762 -7.277 -18.834 1.00 73.14 N ATOM 2080 CA ILE A 128 -16.783 -6.188 -18.972 1.00 61.44 C ATOM 2081 C ILE A 128 -15.362 -6.656 -18.604 1.00 23.33 C ATOM 2082 O ILE A 128 -14.374 -6.204 -19.187 1.00 42.02 O ATOM 2083 CB ILE A 128 -17.164 -4.955 -18.089 1.00 33.32 C ATOM 2084 CG1 ILE A 128 -18.488 -4.312 -18.560 1.00 41.12 C ATOM 2085 CG2 ILE A 128 -16.045 -3.911 -18.095 1.00 42.15 C ATOM 2086 CD1 ILE A 128 -19.727 -5.143 -18.292 1.00 21.10 C ATOM 0 H ILE A 128 -18.200 -7.332 -17.915 1.00 73.14 H new ATOM 0 HA ILE A 128 -16.798 -5.889 -20.020 1.00 61.44 H new ATOM 0 HB ILE A 128 -17.302 -5.316 -17.070 1.00 33.32 H new ATOM 0 HG12 ILE A 128 -18.602 -3.346 -18.068 1.00 41.12 H new ATOM 0 HG13 ILE A 128 -18.421 -4.119 -19.631 1.00 41.12 H new ATOM 0 HG21 ILE A 128 -16.335 -3.064 -17.474 1.00 42.15 H new ATOM 0 HG22 ILE A 128 -15.131 -4.355 -17.700 1.00 42.15 H new ATOM 0 HG23 ILE A 128 -15.871 -3.570 -19.116 1.00 42.15 H new ATOM 0 HD11 ILE A 128 -20.607 -4.612 -18.656 1.00 21.10 H new ATOM 0 HD12 ILE A 128 -19.642 -6.100 -18.807 1.00 21.10 H new ATOM 0 HD13 ILE A 128 -19.825 -5.315 -17.220 1.00 21.10 H new ATOM 2098 N LEU A 129 -15.270 -7.569 -17.639 1.00 13.34 N ATOM 2099 CA LEU A 129 -13.970 -8.017 -17.114 1.00 62.34 C ATOM 2100 C LEU A 129 -13.405 -9.231 -17.873 1.00 30.03 C ATOM 2101 O LEU A 129 -12.330 -9.155 -18.466 1.00 63.21 O ATOM 2102 CB LEU A 129 -14.104 -8.360 -15.625 1.00 13.34 C ATOM 2103 CG LEU A 129 -14.653 -7.230 -14.742 1.00 35.04 C ATOM 2104 CD1 LEU A 129 -14.742 -7.681 -13.289 1.00 25.44 C ATOM 2105 CD2 LEU A 129 -13.790 -5.977 -14.869 1.00 31.22 C ATOM 0 H LEU A 129 -16.076 -8.016 -17.202 1.00 13.34 H new ATOM 0 HA LEU A 129 -13.269 -7.194 -17.255 1.00 62.34 H new ATOM 0 HB2 LEU A 129 -14.757 -9.227 -15.525 1.00 13.34 H new ATOM 0 HB3 LEU A 129 -13.125 -8.653 -15.246 1.00 13.34 H new ATOM 0 HG LEU A 129 -15.658 -6.985 -15.085 1.00 35.04 H new ATOM 0 HD11 LEU A 129 -15.133 -6.867 -12.679 1.00 25.44 H new ATOM 0 HD12 LEU A 129 -15.407 -8.542 -13.215 1.00 25.44 H new ATOM 0 HD13 LEU A 129 -13.750 -7.957 -12.932 1.00 25.44 H new ATOM 0 HD21 LEU A 129 -14.197 -5.189 -14.235 1.00 31.22 H new ATOM 0 HD22 LEU A 129 -12.771 -6.204 -14.556 1.00 31.22 H new ATOM 0 HD23 LEU A 129 -13.785 -5.642 -15.906 1.00 31.22 H new ATOM 2117 N ALA A 130 -14.131 -10.350 -17.849 1.00 42.44 N ATOM 2118 CA ALA A 130 -13.643 -11.604 -18.447 1.00 21.12 C ATOM 2119 C ALA A 130 -13.850 -11.638 -19.970 1.00 33.32 C ATOM 2120 O ALA A 130 -13.068 -12.243 -20.703 1.00 73.34 O ATOM 2121 CB ALA A 130 -14.329 -12.793 -17.789 1.00 72.44 C ATOM 0 H ALA A 130 -15.056 -10.419 -17.425 1.00 42.44 H new ATOM 0 HA ALA A 130 -12.569 -11.661 -18.269 1.00 21.12 H new ATOM 0 HB1 ALA A 130 -13.963 -13.717 -18.236 1.00 72.44 H new ATOM 0 HB2 ALA A 130 -14.109 -12.795 -16.721 1.00 72.44 H new ATOM 0 HB3 ALA A 130 -15.406 -12.720 -17.938 1.00 72.44 H new ATOM 2272 N ASP A 140 -8.097 -0.989 -17.122 1.00 25.45 N ATOM 2273 CA ASP A 140 -8.008 -0.644 -15.696 1.00 13.05 C ATOM 2274 C ASP A 140 -7.895 -1.894 -14.805 1.00 31.35 C ATOM 2275 O ASP A 140 -7.180 -1.892 -13.800 1.00 1.21 O ATOM 2276 CB ASP A 140 -9.227 0.195 -15.296 1.00 12.25 C ATOM 2277 CG ASP A 140 -9.402 1.403 -16.201 1.00 13.53 C ATOM 2278 OD1 ASP A 140 -8.457 2.215 -16.305 1.00 64.24 O ATOM 2279 OD2 ASP A 140 -10.472 1.530 -16.835 1.00 75.24 O ATOM 0 HA ASP A 140 -7.098 -0.063 -15.544 1.00 13.05 H new ATOM 0 HB2 ASP A 140 -10.124 -0.424 -15.338 1.00 12.25 H new ATOM 0 HB3 ASP A 140 -9.117 0.527 -14.264 1.00 12.25 H new ATOM 2284 N LEU A 141 -8.593 -2.961 -15.193 1.00 22.52 N ATOM 2285 CA LEU A 141 -8.535 -4.241 -14.472 1.00 64.03 C ATOM 2286 C LEU A 141 -7.098 -4.779 -14.400 1.00 4.42 C ATOM 2287 O LEU A 141 -6.631 -5.196 -13.340 1.00 41.42 O ATOM 2288 CB LEU A 141 -9.449 -5.272 -15.158 1.00 51.33 C ATOM 2289 CG LEU A 141 -9.474 -6.674 -14.518 1.00 42.13 C ATOM 2290 CD1 LEU A 141 -9.988 -6.618 -13.083 1.00 20.10 C ATOM 2291 CD2 LEU A 141 -10.316 -7.632 -15.357 1.00 31.03 C ATOM 0 H LEU A 141 -9.209 -2.968 -16.006 1.00 22.52 H new ATOM 0 HA LEU A 141 -8.881 -4.070 -13.453 1.00 64.03 H new ATOM 0 HB2 LEU A 141 -10.466 -4.879 -15.168 1.00 51.33 H new ATOM 0 HB3 LEU A 141 -9.136 -5.373 -16.197 1.00 51.33 H new ATOM 0 HG LEU A 141 -8.451 -7.048 -14.490 1.00 42.13 H new ATOM 0 HD11 LEU A 141 -9.994 -7.622 -12.659 1.00 20.10 H new ATOM 0 HD12 LEU A 141 -9.337 -5.977 -12.488 1.00 20.10 H new ATOM 0 HD13 LEU A 141 -11.001 -6.215 -13.075 1.00 20.10 H new ATOM 0 HD21 LEU A 141 -10.322 -8.617 -14.889 1.00 31.03 H new ATOM 0 HD22 LEU A 141 -11.337 -7.256 -15.424 1.00 31.03 H new ATOM 0 HD23 LEU A 141 -9.891 -7.708 -16.358 1.00 31.03 H new ATOM 2303 N ASP A 142 -6.396 -4.749 -15.530 1.00 3.33 N ATOM 2304 CA ASP A 142 -5.023 -5.255 -15.595 1.00 44.21 C ATOM 2305 C ASP A 142 -4.037 -4.237 -15.002 1.00 24.11 C ATOM 2306 O ASP A 142 -3.053 -4.612 -14.357 1.00 12.23 O ATOM 2307 CB ASP A 142 -4.652 -5.583 -17.045 1.00 22.13 C ATOM 2308 CG ASP A 142 -3.380 -6.408 -17.150 1.00 42.13 C ATOM 2309 OD1 ASP A 142 -3.431 -7.614 -16.846 1.00 63.14 O ATOM 2310 OD2 ASP A 142 -2.325 -5.860 -17.541 1.00 53.00 O ATOM 0 H ASP A 142 -6.752 -4.381 -16.412 1.00 3.33 H new ATOM 0 HA ASP A 142 -4.962 -6.168 -15.002 1.00 44.21 H new ATOM 0 HB2 ASP A 142 -5.473 -6.127 -17.512 1.00 22.13 H new ATOM 0 HB3 ASP A 142 -4.526 -4.655 -17.603 1.00 22.13 H new ATOM 2315 N ARG A 143 -4.308 -2.947 -15.217 1.00 35.41 N ATOM 2316 CA ARG A 143 -3.490 -1.879 -14.630 1.00 54.23 C ATOM 2317 C ARG A 143 -3.427 -2.019 -13.103 1.00 40.51 C ATOM 2318 O ARG A 143 -2.363 -1.870 -12.500 1.00 61.25 O ATOM 2319 CB ARG A 143 -4.035 -0.490 -15.002 1.00 42.11 C ATOM 2320 CG ARG A 143 -3.162 0.659 -14.494 1.00 65.45 C ATOM 2321 CD ARG A 143 -3.726 2.030 -14.861 1.00 62.44 C ATOM 2322 NE ARG A 143 -2.783 3.101 -14.534 1.00 43.10 N ATOM 2323 CZ ARG A 143 -3.012 4.375 -14.710 1.00 21.14 C ATOM 2324 NH1 ARG A 143 -4.163 4.790 -15.133 1.00 44.31 N ATOM 2325 NH2 ARG A 143 -2.086 5.237 -14.438 1.00 64.42 N ATOM 0 H ARG A 143 -5.084 -2.616 -15.791 1.00 35.41 H new ATOM 0 HA ARG A 143 -2.484 -1.977 -15.038 1.00 54.23 H new ATOM 0 HB2 ARG A 143 -4.121 -0.420 -16.086 1.00 42.11 H new ATOM 0 HB3 ARG A 143 -5.040 -0.381 -14.595 1.00 42.11 H new ATOM 0 HG2 ARG A 143 -3.067 0.587 -13.411 1.00 65.45 H new ATOM 0 HG3 ARG A 143 -2.159 0.560 -14.909 1.00 65.45 H new ATOM 0 HD2 ARG A 143 -3.955 2.058 -15.926 1.00 62.44 H new ATOM 0 HD3 ARG A 143 -4.663 2.194 -14.329 1.00 62.44 H new ATOM 0 HE ARG A 143 -1.881 2.833 -14.140 1.00 43.10 H new ATOM 0 HH11 ARG A 143 -4.905 4.119 -15.333 1.00 44.31 H new ATOM 0 HH12 ARG A 143 -4.328 5.788 -15.266 1.00 44.31 H new ATOM 0 HH21 ARG A 143 -1.182 4.921 -14.088 1.00 64.42 H new ATOM 0 HH22 ARG A 143 -2.260 6.233 -14.574 1.00 64.42 H new ATOM 2339 N PHE A 144 -4.572 -2.317 -12.485 1.00 54.04 N ATOM 2340 CA PHE A 144 -4.628 -2.551 -11.038 1.00 53.12 C ATOM 2341 C PHE A 144 -3.624 -3.639 -10.626 1.00 54.53 C ATOM 2342 O PHE A 144 -2.905 -3.491 -9.642 1.00 54.32 O ATOM 2343 CB PHE A 144 -6.050 -2.959 -10.607 1.00 21.41 C ATOM 2344 CG PHE A 144 -6.188 -3.173 -9.115 1.00 5.34 C ATOM 2345 CD1 PHE A 144 -5.926 -4.415 -8.546 1.00 40.21 C ATOM 2346 CD2 PHE A 144 -6.564 -2.129 -8.281 1.00 41.03 C ATOM 2347 CE1 PHE A 144 -6.034 -4.605 -7.183 1.00 14.14 C ATOM 2348 CE2 PHE A 144 -6.676 -2.318 -6.917 1.00 33.23 C ATOM 2349 CZ PHE A 144 -6.409 -3.557 -6.367 1.00 62.42 C ATOM 0 H PHE A 144 -5.470 -2.402 -12.961 1.00 54.04 H new ATOM 0 HA PHE A 144 -4.363 -1.620 -10.536 1.00 53.12 H new ATOM 0 HB2 PHE A 144 -6.753 -2.188 -10.922 1.00 21.41 H new ATOM 0 HB3 PHE A 144 -6.330 -3.876 -11.125 1.00 21.41 H new ATOM 0 HD1 PHE A 144 -5.635 -5.241 -9.178 1.00 40.21 H new ATOM 0 HD2 PHE A 144 -6.772 -1.157 -8.704 1.00 41.03 H new ATOM 0 HE1 PHE A 144 -5.825 -5.574 -6.755 1.00 14.14 H new ATOM 0 HE2 PHE A 144 -6.972 -1.497 -6.281 1.00 33.23 H new ATOM 0 HZ PHE A 144 -6.494 -3.705 -5.301 1.00 62.42 H new ATOM 2359 N VAL A 145 -3.574 -4.721 -11.399 1.00 53.40 N ATOM 2360 CA VAL A 145 -2.671 -5.841 -11.112 1.00 0.42 C ATOM 2361 C VAL A 145 -1.191 -5.424 -11.189 1.00 21.33 C ATOM 2362 O VAL A 145 -0.443 -5.583 -10.219 1.00 63.14 O ATOM 2363 CB VAL A 145 -2.922 -7.028 -12.077 1.00 50.43 C ATOM 2364 CG1 VAL A 145 -1.954 -8.182 -11.802 1.00 50.51 C ATOM 2365 CG2 VAL A 145 -4.370 -7.498 -11.976 1.00 4.13 C ATOM 0 H VAL A 145 -4.148 -4.849 -12.232 1.00 53.40 H new ATOM 0 HA VAL A 145 -2.887 -6.157 -10.091 1.00 0.42 H new ATOM 0 HB VAL A 145 -2.740 -6.681 -13.094 1.00 50.43 H new ATOM 0 HG11 VAL A 145 -2.156 -8.999 -12.495 1.00 50.51 H new ATOM 0 HG12 VAL A 145 -0.929 -7.837 -11.936 1.00 50.51 H new ATOM 0 HG13 VAL A 145 -2.088 -8.533 -10.779 1.00 50.51 H new ATOM 0 HG21 VAL A 145 -4.530 -8.332 -12.660 1.00 4.13 H new ATOM 0 HG22 VAL A 145 -4.578 -7.820 -10.956 1.00 4.13 H new ATOM 0 HG23 VAL A 145 -5.038 -6.678 -12.241 1.00 4.13 H new ATOM 2375 N MET A 146 -0.768 -4.892 -12.343 1.00 30.43 N ATOM 2376 CA MET A 146 0.632 -4.481 -12.537 1.00 52.24 C ATOM 2377 C MET A 146 1.079 -3.445 -11.489 1.00 42.33 C ATOM 2378 O MET A 146 2.218 -3.475 -11.022 1.00 51.04 O ATOM 2379 CB MET A 146 0.862 -3.922 -13.951 1.00 72.14 C ATOM 2380 CG MET A 146 -0.012 -2.726 -14.297 1.00 33.52 C ATOM 2381 SD MET A 146 0.531 -1.864 -15.787 1.00 71.45 S ATOM 2382 CE MET A 146 2.115 -1.221 -15.245 1.00 64.20 C ATOM 0 H MET A 146 -1.369 -4.736 -13.152 1.00 30.43 H new ATOM 0 HA MET A 146 1.238 -5.378 -12.410 1.00 52.24 H new ATOM 0 HB2 MET A 146 1.909 -3.634 -14.050 1.00 72.14 H new ATOM 0 HB3 MET A 146 0.679 -4.714 -14.677 1.00 72.14 H new ATOM 0 HG2 MET A 146 -1.040 -3.061 -14.432 1.00 33.52 H new ATOM 0 HG3 MET A 146 -0.012 -2.028 -13.460 1.00 33.52 H new ATOM 0 HE1 MET A 146 2.370 -0.339 -15.832 1.00 64.20 H new ATOM 0 HE2 MET A 146 2.056 -0.950 -14.191 1.00 64.20 H new ATOM 0 HE3 MET A 146 2.883 -1.982 -15.382 1.00 64.20 H new ATOM 2392 N VAL A 147 0.183 -2.530 -11.120 1.00 14.55 N ATOM 2393 CA VAL A 147 0.494 -1.518 -10.103 1.00 22.21 C ATOM 2394 C VAL A 147 0.508 -2.127 -8.691 1.00 14.30 C ATOM 2395 O VAL A 147 1.439 -1.902 -7.918 1.00 42.25 O ATOM 2396 CB VAL A 147 -0.506 -0.336 -10.145 1.00 12.34 C ATOM 2397 CG1 VAL A 147 -0.184 0.690 -9.058 1.00 23.44 C ATOM 2398 CG2 VAL A 147 -0.503 0.319 -11.526 1.00 34.25 C ATOM 0 H VAL A 147 -0.759 -2.466 -11.506 1.00 14.55 H new ATOM 0 HA VAL A 147 1.489 -1.140 -10.336 1.00 22.21 H new ATOM 0 HB VAL A 147 -1.505 -0.728 -9.952 1.00 12.34 H new ATOM 0 HG11 VAL A 147 -0.900 1.510 -9.108 1.00 23.44 H new ATOM 0 HG12 VAL A 147 -0.245 0.214 -8.079 1.00 23.44 H new ATOM 0 HG13 VAL A 147 0.823 1.078 -9.211 1.00 23.44 H new ATOM 0 HG21 VAL A 147 -1.211 1.147 -11.537 1.00 34.25 H new ATOM 0 HG22 VAL A 147 0.496 0.693 -11.749 1.00 34.25 H new ATOM 0 HG23 VAL A 147 -0.792 -0.416 -12.278 1.00 34.25 H new ATOM 2408 N ALA A 148 -0.514 -2.913 -8.363 1.00 13.42 N ATOM 2409 CA ALA A 148 -0.616 -3.539 -7.038 1.00 13.13 C ATOM 2410 C ALA A 148 0.628 -4.375 -6.697 1.00 0.31 C ATOM 2411 O ALA A 148 1.061 -4.418 -5.546 1.00 44.20 O ATOM 2412 CB ALA A 148 -1.872 -4.402 -6.952 1.00 35.11 C ATOM 0 H ALA A 148 -1.285 -3.134 -8.993 1.00 13.42 H new ATOM 0 HA ALA A 148 -0.682 -2.736 -6.304 1.00 13.13 H new ATOM 0 HB1 ALA A 148 -1.933 -4.859 -5.964 1.00 35.11 H new ATOM 0 HB2 ALA A 148 -2.752 -3.781 -7.120 1.00 35.11 H new ATOM 0 HB3 ALA A 148 -1.829 -5.183 -7.711 1.00 35.11 H new ATOM 2418 N LYS A 149 1.211 -5.023 -7.707 1.00 13.12 N ATOM 2419 CA LYS A 149 2.378 -5.888 -7.495 1.00 61.43 C ATOM 2420 C LYS A 149 3.701 -5.100 -7.427 1.00 33.44 C ATOM 2421 O LYS A 149 4.740 -5.661 -7.075 1.00 3.43 O ATOM 2422 CB LYS A 149 2.450 -6.973 -8.582 1.00 12.35 C ATOM 2423 CG LYS A 149 2.665 -6.441 -9.996 1.00 35.24 C ATOM 2424 CD LYS A 149 2.631 -7.562 -11.034 1.00 71.21 C ATOM 2425 CE LYS A 149 3.707 -8.611 -10.773 1.00 52.33 C ATOM 2426 NZ LYS A 149 3.651 -9.723 -11.757 1.00 32.03 N ATOM 0 H LYS A 149 0.898 -4.967 -8.676 1.00 13.12 H new ATOM 0 HA LYS A 149 2.245 -6.363 -6.523 1.00 61.43 H new ATOM 0 HB2 LYS A 149 3.261 -7.659 -8.339 1.00 12.35 H new ATOM 0 HB3 LYS A 149 1.526 -7.551 -8.562 1.00 12.35 H new ATOM 0 HG2 LYS A 149 1.895 -5.706 -10.229 1.00 35.24 H new ATOM 0 HG3 LYS A 149 3.624 -5.925 -10.049 1.00 35.24 H new ATOM 0 HD2 LYS A 149 1.650 -8.037 -11.023 1.00 71.21 H new ATOM 0 HD3 LYS A 149 2.769 -7.140 -12.029 1.00 71.21 H new ATOM 0 HE2 LYS A 149 4.689 -8.140 -10.813 1.00 52.33 H new ATOM 0 HE3 LYS A 149 3.586 -9.011 -9.766 1.00 52.33 H new ATOM 0 HZ1 LYS A 149 4.399 -10.413 -11.543 1.00 32.03 H new ATOM 0 HZ2 LYS A 149 2.723 -10.189 -11.701 1.00 32.03 H new ATOM 0 HZ3 LYS A 149 3.792 -9.346 -12.716 1.00 32.03 H new ATOM 2440 N THR A 150 3.674 -3.808 -7.767 1.00 51.02 N ATOM 2441 CA THR A 150 4.869 -2.954 -7.616 1.00 23.11 C ATOM 2442 C THR A 150 4.803 -2.124 -6.325 1.00 53.23 C ATOM 2443 O THR A 150 5.830 -1.692 -5.801 1.00 14.21 O ATOM 2444 CB THR A 150 5.089 -1.998 -8.823 1.00 41.22 C ATOM 2445 OG1 THR A 150 6.366 -1.343 -8.712 1.00 54.22 O ATOM 2446 CG2 THR A 150 3.996 -0.939 -8.925 1.00 62.42 C ATOM 0 H THR A 150 2.855 -3.331 -8.143 1.00 51.02 H new ATOM 0 HA THR A 150 5.715 -3.640 -7.571 1.00 23.11 H new ATOM 0 HB THR A 150 5.056 -2.611 -9.724 1.00 41.22 H new ATOM 0 HG1 THR A 150 6.328 -0.670 -8.001 1.00 54.22 H new ATOM 0 HG21 THR A 150 4.192 -0.295 -9.782 1.00 62.42 H new ATOM 0 HG22 THR A 150 3.029 -1.425 -9.050 1.00 62.42 H new ATOM 0 HG23 THR A 150 3.985 -0.339 -8.015 1.00 62.42 H new ATOM 2454 N VAL A 151 3.587 -1.931 -5.804 1.00 25.40 N ATOM 2455 CA VAL A 151 3.370 -1.162 -4.568 1.00 22.54 C ATOM 2456 C VAL A 151 4.288 -1.612 -3.403 1.00 41.12 C ATOM 2457 O VAL A 151 4.900 -0.770 -2.750 1.00 13.03 O ATOM 2458 CB VAL A 151 1.888 -1.226 -4.107 1.00 13.54 C ATOM 2459 CG1 VAL A 151 1.698 -0.505 -2.774 1.00 41.34 C ATOM 2460 CG2 VAL A 151 0.962 -0.637 -5.169 1.00 15.41 C ATOM 0 H VAL A 151 2.731 -2.298 -6.220 1.00 25.40 H new ATOM 0 HA VAL A 151 3.628 -0.133 -4.819 1.00 22.54 H new ATOM 0 HB VAL A 151 1.627 -2.275 -3.968 1.00 13.54 H new ATOM 0 HG11 VAL A 151 0.652 -0.565 -2.474 1.00 41.34 H new ATOM 0 HG12 VAL A 151 2.321 -0.976 -2.014 1.00 41.34 H new ATOM 0 HG13 VAL A 151 1.985 0.541 -2.882 1.00 41.34 H new ATOM 0 HG21 VAL A 151 -0.070 -0.693 -4.823 1.00 15.41 H new ATOM 0 HG22 VAL A 151 1.229 0.405 -5.347 1.00 15.41 H new ATOM 0 HG23 VAL A 151 1.065 -1.202 -6.096 1.00 15.41 H new ATOM 2470 N PRO A 152 4.402 -2.934 -3.111 1.00 44.35 N ATOM 2471 CA PRO A 152 5.279 -3.425 -2.028 1.00 54.12 C ATOM 2472 C PRO A 152 6.754 -3.011 -2.204 1.00 22.14 C ATOM 2473 O PRO A 152 7.481 -2.844 -1.221 1.00 1.34 O ATOM 2474 CB PRO A 152 5.130 -4.957 -2.101 1.00 1.21 C ATOM 2475 CG PRO A 152 4.567 -5.228 -3.457 1.00 24.35 C ATOM 2476 CD PRO A 152 3.697 -4.046 -3.776 1.00 74.34 C ATOM 0 HA PRO A 152 4.992 -3.002 -1.065 1.00 54.12 H new ATOM 0 HB2 PRO A 152 6.091 -5.454 -1.967 1.00 1.21 H new ATOM 0 HB3 PRO A 152 4.468 -5.327 -1.318 1.00 1.21 H new ATOM 0 HG2 PRO A 152 5.361 -5.341 -4.196 1.00 24.35 H new ATOM 0 HG3 PRO A 152 3.990 -6.153 -3.464 1.00 24.35 H new ATOM 0 HD2 PRO A 152 3.611 -3.885 -4.851 1.00 74.34 H new ATOM 0 HD3 PRO A 152 2.685 -4.172 -3.390 1.00 74.34 H new ATOM 2484 N ASP A 153 7.190 -2.834 -3.453 1.00 63.11 N ATOM 2485 CA ASP A 153 8.572 -2.438 -3.740 1.00 22.43 C ATOM 2486 C ASP A 153 8.768 -0.929 -3.505 1.00 52.32 C ATOM 2487 O ASP A 153 9.723 -0.508 -2.842 1.00 44.13 O ATOM 2488 CB ASP A 153 8.943 -2.811 -5.180 1.00 42.42 C ATOM 2489 CG ASP A 153 10.404 -2.534 -5.490 1.00 34.33 C ATOM 2490 OD1 ASP A 153 11.270 -3.331 -5.064 1.00 70.42 O ATOM 2491 OD2 ASP A 153 10.699 -1.521 -6.156 1.00 15.11 O ATOM 0 H ASP A 153 6.608 -2.958 -4.281 1.00 63.11 H new ATOM 0 HA ASP A 153 9.232 -2.975 -3.059 1.00 22.43 H new ATOM 0 HB2 ASP A 153 8.733 -3.868 -5.345 1.00 42.42 H new ATOM 0 HB3 ASP A 153 8.315 -2.250 -5.872 1.00 42.42 H new ATOM 2496 N ASP A 154 7.854 -0.123 -4.048 1.00 24.53 N ATOM 2497 CA ASP A 154 7.863 1.329 -3.828 1.00 72.32 C ATOM 2498 C ASP A 154 7.678 1.667 -2.337 1.00 51.45 C ATOM 2499 O ASP A 154 8.332 2.565 -1.805 1.00 13.11 O ATOM 2500 CB ASP A 154 6.764 1.995 -4.668 1.00 62.43 C ATOM 2501 CG ASP A 154 7.050 1.913 -6.159 1.00 73.20 C ATOM 2502 OD1 ASP A 154 6.864 0.830 -6.752 1.00 44.12 O ATOM 2503 OD2 ASP A 154 7.466 2.936 -6.749 1.00 31.14 O ATOM 0 H ASP A 154 7.095 -0.450 -4.646 1.00 24.53 H new ATOM 0 HA ASP A 154 8.833 1.715 -4.140 1.00 72.32 H new ATOM 0 HB2 ASP A 154 5.808 1.517 -4.457 1.00 62.43 H new ATOM 0 HB3 ASP A 154 6.669 3.041 -4.375 1.00 62.43 H new ATOM 2508 N ALA A 155 6.793 0.933 -1.667 1.00 50.14 N ATOM 2509 CA ALA A 155 6.583 1.091 -0.223 1.00 32.11 C ATOM 2510 C ALA A 155 7.857 0.736 0.558 1.00 23.42 C ATOM 2511 O ALA A 155 8.219 1.408 1.522 1.00 42.13 O ATOM 2512 CB ALA A 155 5.416 0.225 0.243 1.00 11.44 C ATOM 0 H ALA A 155 6.206 0.220 -2.099 1.00 50.14 H new ATOM 0 HA ALA A 155 6.343 2.136 -0.027 1.00 32.11 H new ATOM 0 HB1 ALA A 155 5.273 0.353 1.316 1.00 11.44 H new ATOM 0 HB2 ALA A 155 4.509 0.524 -0.282 1.00 11.44 H new ATOM 0 HB3 ALA A 155 5.631 -0.822 0.028 1.00 11.44 H new ATOM 2518 N LYS A 156 8.540 -0.316 0.112 1.00 23.45 N ATOM 2519 CA LYS A 156 9.806 -0.754 0.717 1.00 74.41 C ATOM 2520 C LYS A 156 10.831 0.396 0.796 1.00 11.03 C ATOM 2521 O LYS A 156 11.690 0.418 1.687 1.00 64.10 O ATOM 2522 CB LYS A 156 10.367 -1.926 -0.098 1.00 31.53 C ATOM 2523 CG LYS A 156 11.723 -2.452 0.364 1.00 60.31 C ATOM 2524 CD LYS A 156 12.159 -3.655 -0.473 1.00 60.51 C ATOM 2525 CE LYS A 156 12.144 -3.336 -1.967 1.00 35.44 C ATOM 2526 NZ LYS A 156 12.408 -4.533 -2.807 1.00 31.52 N ATOM 0 H LYS A 156 8.237 -0.890 -0.675 1.00 23.45 H new ATOM 0 HA LYS A 156 9.612 -1.075 1.741 1.00 74.41 H new ATOM 0 HB2 LYS A 156 9.649 -2.745 -0.067 1.00 31.53 H new ATOM 0 HB3 LYS A 156 10.452 -1.615 -1.139 1.00 31.53 H new ATOM 0 HG2 LYS A 156 12.469 -1.661 0.287 1.00 60.31 H new ATOM 0 HG3 LYS A 156 11.668 -2.737 1.415 1.00 60.31 H new ATOM 0 HD2 LYS A 156 13.162 -3.961 -0.176 1.00 60.51 H new ATOM 0 HD3 LYS A 156 11.496 -4.497 -0.274 1.00 60.51 H new ATOM 0 HE2 LYS A 156 11.175 -2.914 -2.235 1.00 35.44 H new ATOM 0 HE3 LYS A 156 12.894 -2.574 -2.180 1.00 35.44 H new ATOM 0 HZ1 LYS A 156 12.063 -4.362 -3.773 1.00 31.52 H new ATOM 0 HZ2 LYS A 156 13.431 -4.721 -2.832 1.00 31.52 H new ATOM 0 HZ3 LYS A 156 11.915 -5.355 -2.404 1.00 31.52 H new ATOM 2540 N GLN A 157 10.729 1.357 -0.130 1.00 53.13 N ATOM 2541 CA GLN A 157 11.583 2.553 -0.100 1.00 24.24 C ATOM 2542 C GLN A 157 11.324 3.359 1.184 1.00 24.33 C ATOM 2543 O GLN A 157 12.255 3.733 1.905 1.00 52.05 O ATOM 2544 CB GLN A 157 11.324 3.447 -1.326 1.00 53.53 C ATOM 2545 CG GLN A 157 11.410 2.735 -2.676 1.00 71.44 C ATOM 2546 CD GLN A 157 12.717 1.990 -2.888 1.00 10.50 C ATOM 2547 OE1 GLN A 157 13.705 2.553 -3.347 1.00 34.34 O ATOM 2548 NE2 GLN A 157 12.720 0.706 -2.592 1.00 41.45 N ATOM 0 H GLN A 157 10.068 1.331 -0.906 1.00 53.13 H new ATOM 0 HA GLN A 157 12.622 2.223 -0.120 1.00 24.24 H new ATOM 0 HB2 GLN A 157 10.334 3.892 -1.229 1.00 53.53 H new ATOM 0 HB3 GLN A 157 12.043 4.266 -1.318 1.00 53.53 H new ATOM 0 HG2 GLN A 157 10.582 2.031 -2.759 1.00 71.44 H new ATOM 0 HG3 GLN A 157 11.286 3.468 -3.473 1.00 71.44 H new ATOM 0 HE21 GLN A 157 11.881 0.268 -2.212 1.00 41.45 H new ATOM 0 HE22 GLN A 157 13.561 0.150 -2.743 1.00 41.45 H new ATOM 2557 N LEU A 158 10.045 3.609 1.467 1.00 23.14 N ATOM 2558 CA LEU A 158 9.636 4.320 2.685 1.00 24.01 C ATOM 2559 C LEU A 158 9.968 3.496 3.932 1.00 72.44 C ATOM 2560 O LEU A 158 10.566 4.006 4.883 1.00 64.54 O ATOM 2561 CB LEU A 158 8.129 4.634 2.655 1.00 1.22 C ATOM 2562 CG LEU A 158 7.696 5.740 1.680 1.00 63.44 C ATOM 2563 CD1 LEU A 158 8.445 7.033 1.975 1.00 35.33 C ATOM 2564 CD2 LEU A 158 7.905 5.310 0.230 1.00 43.32 C ATOM 0 H LEU A 158 9.269 3.329 0.867 1.00 23.14 H new ATOM 0 HA LEU A 158 10.190 5.258 2.725 1.00 24.01 H new ATOM 0 HB2 LEU A 158 7.592 3.720 2.400 1.00 1.22 H new ATOM 0 HB3 LEU A 158 7.816 4.918 3.660 1.00 1.22 H new ATOM 0 HG LEU A 158 6.630 5.918 1.822 1.00 63.44 H new ATOM 0 HD11 LEU A 158 8.126 7.806 1.275 1.00 35.33 H new ATOM 0 HD12 LEU A 158 8.229 7.354 2.994 1.00 35.33 H new ATOM 0 HD13 LEU A 158 9.517 6.865 1.867 1.00 35.33 H new ATOM 0 HD21 LEU A 158 7.590 6.113 -0.437 1.00 43.32 H new ATOM 0 HD22 LEU A 158 8.960 5.093 0.063 1.00 43.32 H new ATOM 0 HD23 LEU A 158 7.314 4.417 0.027 1.00 43.32 H new ATOM 2576 N THR A 159 9.586 2.220 3.906 1.00 23.31 N ATOM 2577 CA THR A 159 9.866 1.291 5.007 1.00 40.42 C ATOM 2578 C THR A 159 11.329 1.382 5.465 1.00 31.20 C ATOM 2579 O THR A 159 11.612 1.576 6.645 1.00 13.45 O ATOM 2580 CB THR A 159 9.553 -0.173 4.601 1.00 65.12 C ATOM 2581 OG1 THR A 159 8.199 -0.272 4.136 1.00 73.53 O ATOM 2582 CG2 THR A 159 9.758 -1.134 5.771 1.00 51.24 C ATOM 0 H THR A 159 9.077 1.800 3.128 1.00 23.31 H new ATOM 0 HA THR A 159 9.218 1.582 5.833 1.00 40.42 H new ATOM 0 HB THR A 159 10.242 -0.452 3.804 1.00 65.12 H new ATOM 0 HG1 THR A 159 8.093 -1.091 3.608 1.00 73.53 H new ATOM 0 HG21 THR A 159 9.530 -2.151 5.451 1.00 51.24 H new ATOM 0 HG22 THR A 159 10.794 -1.083 6.106 1.00 51.24 H new ATOM 0 HG23 THR A 159 9.097 -0.855 6.591 1.00 51.24 H new ATOM 2590 N THR A 160 12.258 1.271 4.520 1.00 4.10 N ATOM 2591 CA THR A 160 13.690 1.322 4.843 1.00 71.23 C ATOM 2592 C THR A 160 14.118 2.716 5.335 1.00 51.25 C ATOM 2593 O THR A 160 14.844 2.838 6.323 1.00 54.40 O ATOM 2594 CB THR A 160 14.566 0.929 3.628 1.00 3.25 C ATOM 2595 OG1 THR A 160 14.154 -0.349 3.111 1.00 50.13 O ATOM 2596 CG2 THR A 160 16.042 0.865 4.013 1.00 30.23 C ATOM 0 H THR A 160 12.052 1.146 3.529 1.00 4.10 H new ATOM 0 HA THR A 160 13.843 0.599 5.645 1.00 71.23 H new ATOM 0 HB THR A 160 14.436 1.694 2.862 1.00 3.25 H new ATOM 0 HG1 THR A 160 13.323 -0.244 2.602 1.00 50.13 H new ATOM 0 HG21 THR A 160 16.634 0.587 3.141 1.00 30.23 H new ATOM 0 HG22 THR A 160 16.366 1.841 4.375 1.00 30.23 H new ATOM 0 HG23 THR A 160 16.181 0.122 4.798 1.00 30.23 H new ATOM 2604 N THR A 161 13.656 3.763 4.647 1.00 50.25 N ATOM 2605 CA THR A 161 14.026 5.150 4.987 1.00 52.01 C ATOM 2606 C THR A 161 13.627 5.515 6.427 1.00 1.34 C ATOM 2607 O THR A 161 14.443 6.027 7.203 1.00 71.44 O ATOM 2608 CB THR A 161 13.382 6.165 4.006 1.00 5.34 C ATOM 2609 OG1 THR A 161 13.845 5.918 2.666 1.00 12.45 O ATOM 2610 CG2 THR A 161 13.708 7.605 4.397 1.00 25.24 C ATOM 0 H THR A 161 13.025 3.682 3.850 1.00 50.25 H new ATOM 0 HA THR A 161 15.111 5.207 4.901 1.00 52.01 H new ATOM 0 HB THR A 161 12.301 6.032 4.055 1.00 5.34 H new ATOM 0 HG1 THR A 161 13.355 5.159 2.285 1.00 12.45 H new ATOM 0 HG21 THR A 161 13.241 8.289 3.688 1.00 25.24 H new ATOM 0 HG22 THR A 161 13.328 7.805 5.399 1.00 25.24 H new ATOM 0 HG23 THR A 161 14.788 7.750 4.383 1.00 25.24 H new ATOM 2618 N ILE A 162 12.378 5.240 6.784 1.00 62.22 N ATOM 2619 CA ILE A 162 11.878 5.538 8.129 1.00 4.30 C ATOM 2620 C ILE A 162 12.598 4.696 9.194 1.00 22.11 C ATOM 2621 O ILE A 162 13.052 5.221 10.208 1.00 1.13 O ATOM 2622 CB ILE A 162 10.349 5.294 8.223 1.00 22.03 C ATOM 2623 CG1 ILE A 162 9.606 6.177 7.206 1.00 52.31 C ATOM 2624 CG2 ILE A 162 9.838 5.557 9.642 1.00 20.35 C ATOM 2625 CD1 ILE A 162 8.101 5.988 7.201 1.00 13.44 C ATOM 0 H ILE A 162 11.690 4.812 6.164 1.00 62.22 H new ATOM 0 HA ILE A 162 12.082 6.592 8.319 1.00 4.30 H new ATOM 0 HB ILE A 162 10.153 4.248 7.986 1.00 22.03 H new ATOM 0 HG12 ILE A 162 9.829 7.223 7.418 1.00 52.31 H new ATOM 0 HG13 ILE A 162 9.991 5.965 6.208 1.00 52.31 H new ATOM 0 HG21 ILE A 162 8.763 5.379 9.681 1.00 20.35 H new ATOM 0 HG22 ILE A 162 10.342 4.889 10.340 1.00 20.35 H new ATOM 0 HG23 ILE A 162 10.044 6.591 9.917 1.00 20.35 H new ATOM 0 HD11 ILE A 162 7.654 6.647 6.457 1.00 13.44 H new ATOM 0 HD12 ILE A 162 7.865 4.952 6.957 1.00 13.44 H new ATOM 0 HD13 ILE A 162 7.701 6.229 8.186 1.00 13.44 H new ATOM 2637 N ASN A 163 12.717 3.392 8.942 1.00 71.53 N ATOM 2638 CA ASN A 163 13.371 2.472 9.883 1.00 14.32 C ATOM 2639 C ASN A 163 14.832 2.863 10.178 1.00 75.11 C ATOM 2640 O ASN A 163 15.282 2.785 11.324 1.00 64.43 O ATOM 2641 CB ASN A 163 13.314 1.036 9.350 1.00 52.22 C ATOM 2642 CG ASN A 163 11.912 0.453 9.394 1.00 21.42 C ATOM 2643 OD1 ASN A 163 11.088 0.844 10.208 1.00 20.11 O ATOM 2644 ND2 ASN A 163 11.635 -0.502 8.530 1.00 33.52 N ATOM 0 H ASN A 163 12.369 2.945 8.094 1.00 71.53 H new ATOM 0 HA ASN A 163 12.822 2.539 10.822 1.00 14.32 H new ATOM 0 HB2 ASN A 163 13.679 1.019 8.323 1.00 52.22 H new ATOM 0 HB3 ASN A 163 13.984 0.407 9.937 1.00 52.22 H new ATOM 0 HD21 ASN A 163 10.712 -0.936 8.528 1.00 33.52 H new ATOM 0 HD22 ASN A 163 12.343 -0.807 7.863 1.00 33.52 H new ATOM 2651 N THR A 164 15.578 3.278 9.152 1.00 65.32 N ATOM 2652 CA THR A 164 16.991 3.650 9.344 1.00 10.34 C ATOM 2653 C THR A 164 17.135 5.003 10.059 1.00 61.41 C ATOM 2654 O THR A 164 18.083 5.214 10.819 1.00 21.52 O ATOM 2655 CB THR A 164 17.789 3.682 8.012 1.00 71.10 C ATOM 2656 OG1 THR A 164 19.177 3.960 8.268 1.00 32.13 O ATOM 2657 CG2 THR A 164 17.241 4.730 7.048 1.00 50.32 C ATOM 0 H THR A 164 15.240 3.366 8.194 1.00 65.32 H new ATOM 0 HA THR A 164 17.415 2.868 9.974 1.00 10.34 H new ATOM 0 HB THR A 164 17.684 2.700 7.551 1.00 71.10 H new ATOM 0 HG1 THR A 164 19.669 3.976 7.421 1.00 32.13 H new ATOM 0 HG21 THR A 164 17.827 4.720 6.129 1.00 50.32 H new ATOM 0 HG22 THR A 164 16.200 4.503 6.818 1.00 50.32 H new ATOM 0 HG23 THR A 164 17.304 5.716 7.508 1.00 50.32 H new ATOM 2665 N ASN A 165 16.187 5.918 9.829 1.00 45.23 N ATOM 2666 CA ASN A 165 16.196 7.228 10.503 1.00 33.13 C ATOM 2667 C ASN A 165 15.236 7.258 11.707 1.00 5.20 C ATOM 2668 O ASN A 165 14.934 8.326 12.245 1.00 33.55 O ATOM 2669 CB ASN A 165 15.835 8.345 9.517 1.00 54.43 C ATOM 2670 CG ASN A 165 16.894 8.530 8.445 1.00 60.33 C ATOM 2671 OD1 ASN A 165 17.868 9.252 8.633 1.00 13.53 O ATOM 2672 ND2 ASN A 165 16.712 7.888 7.310 1.00 71.40 N ATOM 0 H ASN A 165 15.407 5.780 9.186 1.00 45.23 H new ATOM 0 HA ASN A 165 17.207 7.393 10.876 1.00 33.13 H new ATOM 0 HB2 ASN A 165 14.879 8.116 9.045 1.00 54.43 H new ATOM 0 HB3 ASN A 165 15.705 9.280 10.062 1.00 54.43 H new ATOM 0 HD21 ASN A 165 17.392 7.983 6.555 1.00 71.40 H new ATOM 0 HD22 ASN A 165 15.891 7.295 7.185 1.00 71.40 H new ATOM 2679 N ALA A 166 14.787 6.079 12.142 1.00 51.14 N ATOM 2680 CA ALA A 166 13.825 5.960 13.248 1.00 43.21 C ATOM 2681 C ALA A 166 14.324 6.648 14.527 1.00 43.22 C ATOM 2682 O ALA A 166 13.558 7.311 15.218 1.00 53.43 O ATOM 2683 CB ALA A 166 13.516 4.491 13.523 1.00 62.13 C ATOM 0 H ALA A 166 15.075 5.185 11.744 1.00 51.14 H new ATOM 0 HA ALA A 166 12.912 6.470 12.941 1.00 43.21 H new ATOM 0 HB1 ALA A 166 12.803 4.417 14.344 1.00 62.13 H new ATOM 0 HB2 ALA A 166 13.090 4.035 12.629 1.00 62.13 H new ATOM 0 HB3 ALA A 166 14.435 3.970 13.793 1.00 62.13 H new ATOM 2689 N GLU A 167 15.611 6.491 14.826 1.00 33.44 N ATOM 2690 CA GLU A 167 16.218 7.109 16.014 1.00 55.01 C ATOM 2691 C GLU A 167 16.196 8.648 15.945 1.00 12.04 C ATOM 2692 O GLU A 167 16.223 9.324 16.972 1.00 74.42 O ATOM 2693 CB GLU A 167 17.660 6.611 16.183 1.00 34.30 C ATOM 2694 CG GLU A 167 18.534 6.828 14.951 1.00 13.33 C ATOM 2695 CD GLU A 167 19.965 6.368 15.162 1.00 64.13 C ATOM 2696 OE1 GLU A 167 20.775 7.154 15.695 1.00 71.02 O ATOM 2697 OE2 GLU A 167 20.282 5.215 14.806 1.00 2.12 O ATOM 0 H GLU A 167 16.260 5.940 14.264 1.00 33.44 H new ATOM 0 HA GLU A 167 15.622 6.814 16.878 1.00 55.01 H new ATOM 0 HB2 GLU A 167 18.113 7.121 17.033 1.00 34.30 H new ATOM 0 HB3 GLU A 167 17.642 5.548 16.422 1.00 34.30 H new ATOM 0 HG2 GLU A 167 18.104 6.290 14.106 1.00 13.33 H new ATOM 0 HG3 GLU A 167 18.531 7.886 14.690 1.00 13.33 H new ATOM 2704 N ALA A 168 16.154 9.191 14.729 1.00 63.13 N ATOM 2705 CA ALA A 168 16.092 10.644 14.529 1.00 22.33 C ATOM 2706 C ALA A 168 14.640 11.147 14.542 1.00 53.23 C ATOM 2707 O ALA A 168 14.350 12.240 15.033 1.00 33.32 O ATOM 2708 CB ALA A 168 16.775 11.021 13.218 1.00 12.13 C ATOM 0 H ALA A 168 16.162 8.649 13.865 1.00 63.13 H new ATOM 0 HA ALA A 168 16.618 11.124 15.355 1.00 22.33 H new ATOM 0 HB1 ALA A 168 16.724 12.101 13.078 1.00 12.13 H new ATOM 0 HB2 ALA A 168 17.819 10.708 13.248 1.00 12.13 H new ATOM 0 HB3 ALA A 168 16.271 10.524 12.389 1.00 12.13 H new ATOM 2714 N LEU A 169 13.734 10.339 13.997 1.00 3.23 N ATOM 2715 CA LEU A 169 12.305 10.674 13.952 1.00 54.41 C ATOM 2716 C LEU A 169 11.636 10.500 15.327 1.00 13.52 C ATOM 2717 O LEU A 169 10.799 11.311 15.736 1.00 25.02 O ATOM 2718 CB LEU A 169 11.599 9.783 12.920 1.00 40.24 C ATOM 2719 CG LEU A 169 12.086 9.940 11.471 1.00 32.42 C ATOM 2720 CD1 LEU A 169 11.463 8.877 10.569 1.00 73.22 C ATOM 2721 CD2 LEU A 169 11.774 11.340 10.949 1.00 53.23 C ATOM 0 H LEU A 169 13.963 9.439 13.576 1.00 3.23 H new ATOM 0 HA LEU A 169 12.216 11.722 13.666 1.00 54.41 H new ATOM 0 HB2 LEU A 169 11.725 8.742 13.217 1.00 40.24 H new ATOM 0 HB3 LEU A 169 10.531 9.996 12.951 1.00 40.24 H new ATOM 0 HG LEU A 169 13.167 9.802 11.459 1.00 32.42 H new ATOM 0 HD11 LEU A 169 11.823 9.009 9.549 1.00 73.22 H new ATOM 0 HD12 LEU A 169 11.743 7.886 10.927 1.00 73.22 H new ATOM 0 HD13 LEU A 169 10.378 8.976 10.586 1.00 73.22 H new ATOM 0 HD21 LEU A 169 12.126 11.432 9.922 1.00 53.23 H new ATOM 0 HD22 LEU A 169 10.698 11.508 10.980 1.00 53.23 H new ATOM 0 HD23 LEU A 169 12.275 12.081 11.572 1.00 53.23 H new ATOM 2733 N PHE A 170 12.010 9.436 16.032 1.00 23.20 N ATOM 2734 CA PHE A 170 11.398 9.089 17.318 1.00 52.50 C ATOM 2735 C PHE A 170 12.419 9.167 18.461 1.00 60.41 C ATOM 2736 O PHE A 170 13.385 8.405 18.507 1.00 75.03 O ATOM 2737 CB PHE A 170 10.797 7.679 17.243 1.00 1.42 C ATOM 2738 CG PHE A 170 9.864 7.489 16.072 1.00 62.24 C ATOM 2739 CD1 PHE A 170 8.569 7.982 16.114 1.00 22.33 C ATOM 2740 CD2 PHE A 170 10.288 6.830 14.925 1.00 12.12 C ATOM 2741 CE1 PHE A 170 7.717 7.819 15.040 1.00 40.22 C ATOM 2742 CE2 PHE A 170 9.438 6.668 13.848 1.00 54.05 C ATOM 2743 CZ PHE A 170 8.151 7.162 13.906 1.00 75.14 C ATOM 0 H PHE A 170 12.741 8.791 15.733 1.00 23.20 H new ATOM 0 HA PHE A 170 10.608 9.811 17.525 1.00 52.50 H new ATOM 0 HB2 PHE A 170 11.605 6.950 17.177 1.00 1.42 H new ATOM 0 HB3 PHE A 170 10.256 7.472 18.167 1.00 1.42 H new ATOM 0 HD1 PHE A 170 8.223 8.499 16.997 1.00 22.33 H new ATOM 0 HD2 PHE A 170 11.294 6.440 14.875 1.00 12.12 H new ATOM 0 HE1 PHE A 170 6.710 8.206 15.087 1.00 40.22 H new ATOM 0 HE2 PHE A 170 9.781 6.155 12.961 1.00 54.05 H new ATOM 0 HZ PHE A 170 7.484 7.035 13.066 1.00 75.14 H new ATOM 2753 N ARG A 171 12.196 10.092 19.385 1.00 65.52 N ATOM 2754 CA ARG A 171 13.100 10.291 20.520 1.00 11.22 C ATOM 2755 C ARG A 171 12.469 9.770 21.827 1.00 13.04 C ATOM 2756 O ARG A 171 11.470 10.314 22.305 1.00 53.12 O ATOM 2757 CB ARG A 171 13.447 11.782 20.653 1.00 45.13 C ATOM 2758 CG ARG A 171 14.645 12.066 21.557 1.00 73.32 C ATOM 2759 CD ARG A 171 15.937 11.507 20.968 1.00 32.43 C ATOM 2760 NE ARG A 171 16.246 12.090 19.662 1.00 53.33 N ATOM 2761 CZ ARG A 171 17.170 11.640 18.854 1.00 43.25 C ATOM 2762 NH1 ARG A 171 17.900 10.620 19.182 1.00 1.24 N ATOM 2763 NH2 ARG A 171 17.367 12.214 17.713 1.00 21.12 N ATOM 0 H ARG A 171 11.394 10.722 19.374 1.00 65.52 H new ATOM 0 HA ARG A 171 14.013 9.725 20.338 1.00 11.22 H new ATOM 0 HB2 ARG A 171 13.650 12.186 19.661 1.00 45.13 H new ATOM 0 HB3 ARG A 171 12.578 12.313 21.042 1.00 45.13 H new ATOM 0 HG2 ARG A 171 14.746 13.142 21.702 1.00 73.32 H new ATOM 0 HG3 ARG A 171 14.472 11.627 22.540 1.00 73.32 H new ATOM 0 HD2 ARG A 171 16.761 11.701 21.655 1.00 32.43 H new ATOM 0 HD3 ARG A 171 15.851 10.425 20.870 1.00 32.43 H new ATOM 0 HE ARG A 171 15.705 12.901 19.362 1.00 53.33 H new ATOM 0 HH11 ARG A 171 17.757 10.158 20.080 1.00 1.24 H new ATOM 0 HH12 ARG A 171 18.617 10.279 18.542 1.00 1.24 H new ATOM 0 HH21 ARG A 171 16.801 13.019 17.442 1.00 21.12 H new ATOM 0 HH22 ARG A 171 18.088 11.862 17.083 1.00 21.12 H new