USER MOD reduce.3.24.130724 H: found=0, std=0, add=642, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 644 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 18 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 28 ASN : amide:sc= -2.88 K(o=-2.9,f=-1.8) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.0149 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 180:sc= -0.338 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 64 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 HIS : no HE2:sc= -2.41 K(o=-2.4,f=-4.6!) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot 60:sc= 0.435 USER MOD Single : A 83 TYR OH : rot 180:sc= 0.0816 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot 180:sc= -0.0513 USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 HIS : no HD1:sc= -0.709 K(o=-0.71,f=-0.12) USER MOD Single : A 95 LYS NZ :NH3+ 161:sc= -0.0494 (180deg=-0.388) USER MOD Single : A 98 SER OG : rot -3:sc= 0.572! USER MOD Single : A 100 GLN : amide:sc= -0.0767 K(o=-0.077,f=-1.5!) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 105 THR OG1 : rot 162:sc= 1.4 USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 115 N ARG A 11 -0.355 -11.370 7.861 1.00 0.00 N ATOM 116 CA ARG A 11 -1.010 -10.244 8.515 1.00 0.00 C ATOM 117 C ARG A 11 -0.294 -8.936 8.193 1.00 0.00 C ATOM 118 O ARG A 11 0.837 -8.939 7.704 1.00 0.00 O ATOM 119 CB ARG A 11 -1.048 -10.457 10.029 1.00 0.00 C ATOM 120 CG ARG A 11 -2.044 -11.517 10.470 1.00 0.00 C ATOM 121 CD ARG A 11 -3.426 -10.923 10.697 1.00 0.00 C ATOM 122 NE ARG A 11 -4.473 -11.940 10.649 1.00 0.00 N ATOM 123 CZ ARG A 11 -5.703 -11.751 11.114 1.00 0.00 C ATOM 124 NH1 ARG A 11 -6.038 -10.589 11.658 1.00 0.00 N ATOM 125 NH2 ARG A 11 -6.601 -12.724 11.035 1.00 0.00 N ATOM 0 HA ARG A 11 -2.031 -10.182 8.138 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -0.053 -10.740 10.373 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -1.296 -9.513 10.514 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -2.103 -12.300 9.714 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -1.694 -11.987 11.389 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -3.451 -10.422 11.665 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -3.623 -10.164 9.940 1.00 0.00 H new ATOM 0 HE ARG A 11 -4.248 -12.845 10.236 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -5.351 -9.838 11.720 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -6.983 -10.446 12.014 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -6.348 -13.619 10.617 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -7.545 -12.577 11.393 1.00 0.00 H new ATOM 139 N LEU A 12 -0.959 -7.819 8.469 1.00 0.00 N ATOM 140 CA LEU A 12 -0.386 -6.503 8.208 1.00 0.00 C ATOM 141 C LEU A 12 0.448 -6.028 9.394 1.00 0.00 C ATOM 142 O LEU A 12 0.341 -6.566 10.496 1.00 0.00 O ATOM 143 CB LEU A 12 -1.495 -5.492 7.912 1.00 0.00 C ATOM 144 CG LEU A 12 -2.078 -5.530 6.499 1.00 0.00 C ATOM 145 CD1 LEU A 12 -3.478 -4.936 6.482 1.00 0.00 C ATOM 146 CD2 LEU A 12 -1.171 -4.789 5.528 1.00 0.00 C ATOM 0 H LEU A 12 -1.895 -7.799 8.873 1.00 0.00 H new ATOM 0 HA LEU A 12 0.266 -6.583 7.338 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -2.306 -5.654 8.622 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -1.105 -4.491 8.096 1.00 0.00 H new ATOM 0 HG LEU A 12 -2.144 -6.571 6.182 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -3.876 -4.972 5.468 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -4.125 -5.509 7.146 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -3.438 -3.900 6.820 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -1.602 -4.826 4.527 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -1.073 -3.750 5.842 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -0.188 -5.259 5.518 1.00 0.00 H new ATOM 158 N SER A 13 1.276 -5.015 9.160 1.00 0.00 N ATOM 159 CA SER A 13 2.129 -4.467 10.208 1.00 0.00 C ATOM 160 C SER A 13 1.601 -3.119 10.689 1.00 0.00 C ATOM 161 O SER A 13 0.594 -2.621 10.188 1.00 0.00 O ATOM 162 CB SER A 13 3.564 -4.313 9.699 1.00 0.00 C ATOM 163 OG SER A 13 4.498 -4.466 10.753 1.00 0.00 O ATOM 0 H SER A 13 1.374 -4.557 8.254 1.00 0.00 H new ATOM 0 HA SER A 13 2.121 -5.161 11.048 1.00 0.00 H new ATOM 0 HB2 SER A 13 3.760 -5.055 8.925 1.00 0.00 H new ATOM 0 HB3 SER A 13 3.687 -3.332 9.239 1.00 0.00 H new ATOM 0 HG SER A 13 5.407 -4.365 10.402 1.00 0.00 H new ATOM 169 N GLN A 14 2.289 -2.536 11.666 1.00 0.00 N ATOM 170 CA GLN A 14 1.889 -1.246 12.216 1.00 0.00 C ATOM 171 C GLN A 14 1.733 -0.207 11.111 1.00 0.00 C ATOM 172 O GLN A 14 2.716 0.220 10.503 1.00 0.00 O ATOM 173 CB GLN A 14 2.916 -0.766 13.243 1.00 0.00 C ATOM 174 CG GLN A 14 4.304 -0.552 12.661 1.00 0.00 C ATOM 175 CD GLN A 14 5.393 -0.604 13.714 1.00 0.00 C ATOM 176 OE1 GLN A 14 5.427 0.217 14.631 1.00 0.00 O ATOM 177 NE2 GLN A 14 6.291 -1.574 13.589 1.00 0.00 N ATOM 0 H GLN A 14 3.125 -2.936 12.092 1.00 0.00 H new ATOM 0 HA GLN A 14 0.925 -1.372 12.708 1.00 0.00 H new ATOM 0 HB2 GLN A 14 2.568 0.168 13.683 1.00 0.00 H new ATOM 0 HB3 GLN A 14 2.978 -1.495 14.051 1.00 0.00 H new ATOM 0 HG2 GLN A 14 4.498 -1.313 11.905 1.00 0.00 H new ATOM 0 HG3 GLN A 14 4.337 0.414 12.157 1.00 0.00 H new ATOM 0 HE21 GLN A 14 6.225 -2.233 12.813 1.00 0.00 H new ATOM 0 HE22 GLN A 14 7.047 -1.660 14.269 1.00 0.00 H new ATOM 186 N LEU A 15 0.493 0.196 10.855 1.00 0.00 N ATOM 187 CA LEU A 15 0.208 1.185 9.822 1.00 0.00 C ATOM 188 C LEU A 15 0.309 2.601 10.381 1.00 0.00 C ATOM 189 O LEU A 15 -0.585 3.065 11.088 1.00 0.00 O ATOM 190 CB LEU A 15 -1.186 0.954 9.237 1.00 0.00 C ATOM 191 CG LEU A 15 -1.693 2.021 8.267 1.00 0.00 C ATOM 192 CD1 LEU A 15 -1.056 1.843 6.897 1.00 0.00 C ATOM 193 CD2 LEU A 15 -3.210 1.971 8.163 1.00 0.00 C ATOM 0 H LEU A 15 -0.331 -0.147 11.349 1.00 0.00 H new ATOM 0 HA LEU A 15 0.950 1.072 9.032 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -1.187 -0.007 8.722 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -1.895 0.875 10.061 1.00 0.00 H new ATOM 0 HG LEU A 15 -1.408 3.000 8.653 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -1.429 2.611 6.220 1.00 0.00 H new ATOM 0 HD12 LEU A 15 0.027 1.931 6.985 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -1.309 0.859 6.503 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -3.553 2.738 7.468 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -3.518 0.990 7.801 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -3.648 2.150 9.145 1.00 0.00 H new ATOM 205 N SER A 16 1.403 3.283 10.057 1.00 0.00 N ATOM 206 CA SER A 16 1.622 4.645 10.528 1.00 0.00 C ATOM 207 C SER A 16 1.472 5.646 9.386 1.00 0.00 C ATOM 208 O SER A 16 1.553 5.282 8.213 1.00 0.00 O ATOM 209 CB SER A 16 3.011 4.774 11.156 1.00 0.00 C ATOM 210 OG SER A 16 3.025 4.259 12.476 1.00 0.00 O ATOM 0 H SER A 16 2.151 2.914 9.470 1.00 0.00 H new ATOM 0 HA SER A 16 0.868 4.867 11.284 1.00 0.00 H new ATOM 0 HB2 SER A 16 3.740 4.240 10.546 1.00 0.00 H new ATOM 0 HB3 SER A 16 3.312 5.822 11.168 1.00 0.00 H new ATOM 0 HG SER A 16 3.924 4.352 12.854 1.00 0.00 H new ATOM 216 N VAL A 17 1.253 6.908 9.739 1.00 0.00 N ATOM 217 CA VAL A 17 1.093 7.963 8.745 1.00 0.00 C ATOM 218 C VAL A 17 2.224 8.981 8.837 1.00 0.00 C ATOM 219 O VAL A 17 2.474 9.555 9.897 1.00 0.00 O ATOM 220 CB VAL A 17 -0.254 8.691 8.911 1.00 0.00 C ATOM 221 CG1 VAL A 17 -0.254 9.999 8.133 1.00 0.00 C ATOM 222 CG2 VAL A 17 -1.401 7.797 8.466 1.00 0.00 C ATOM 0 H VAL A 17 1.182 7.225 10.706 1.00 0.00 H new ATOM 0 HA VAL A 17 1.119 7.483 7.767 1.00 0.00 H new ATOM 0 HB VAL A 17 -0.393 8.924 9.967 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -1.214 10.499 8.262 1.00 0.00 H new ATOM 0 HG12 VAL A 17 0.544 10.643 8.504 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -0.092 9.793 7.075 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -2.345 8.327 8.590 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -1.269 7.531 7.417 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -1.412 6.891 9.071 1.00 0.00 H new ATOM 232 N THR A 18 2.907 9.202 7.718 1.00 0.00 N ATOM 233 CA THR A 18 4.012 10.151 7.671 1.00 0.00 C ATOM 234 C THR A 18 3.741 11.263 6.664 1.00 0.00 C ATOM 235 O THR A 18 2.733 11.240 5.957 1.00 0.00 O ATOM 236 CB THR A 18 5.336 9.454 7.305 1.00 0.00 C ATOM 237 OG1 THR A 18 5.304 9.030 5.938 1.00 0.00 O ATOM 238 CG2 THR A 18 5.584 8.255 8.208 1.00 0.00 C ATOM 0 H THR A 18 2.714 8.736 6.831 1.00 0.00 H new ATOM 0 HA THR A 18 4.100 10.582 8.668 1.00 0.00 H new ATOM 0 HB THR A 18 6.148 10.168 7.445 1.00 0.00 H new ATOM 0 HG1 THR A 18 6.150 8.589 5.712 1.00 0.00 H new ATOM 0 HG21 THR A 18 6.525 7.779 7.931 1.00 0.00 H new ATOM 0 HG22 THR A 18 5.637 8.585 9.245 1.00 0.00 H new ATOM 0 HG23 THR A 18 4.769 7.540 8.096 1.00 0.00 H new ATOM 246 N ASP A 19 4.646 12.233 6.603 1.00 0.00 N ATOM 247 CA ASP A 19 4.505 13.353 5.680 1.00 0.00 C ATOM 248 C ASP A 19 3.131 14.002 5.818 1.00 0.00 C ATOM 249 O ASP A 19 2.582 14.530 4.851 1.00 0.00 O ATOM 250 CB ASP A 19 4.719 12.885 4.240 1.00 0.00 C ATOM 251 CG ASP A 19 5.322 13.965 3.364 1.00 0.00 C ATOM 252 OD1 ASP A 19 6.565 14.094 3.351 1.00 0.00 O ATOM 253 OD2 ASP A 19 4.553 14.681 2.690 1.00 0.00 O ATOM 0 H ASP A 19 5.485 12.267 7.182 1.00 0.00 H new ATOM 0 HA ASP A 19 5.264 14.095 5.929 1.00 0.00 H new ATOM 0 HB2 ASP A 19 5.372 12.013 4.238 1.00 0.00 H new ATOM 0 HB3 ASP A 19 3.765 12.570 3.818 1.00 0.00 H new ATOM 258 N VAL A 20 2.579 13.956 7.027 1.00 0.00 N ATOM 259 CA VAL A 20 1.269 14.539 7.292 1.00 0.00 C ATOM 260 C VAL A 20 1.153 15.931 6.681 1.00 0.00 C ATOM 261 O VAL A 20 1.707 16.899 7.202 1.00 0.00 O ATOM 262 CB VAL A 20 0.991 14.630 8.804 1.00 0.00 C ATOM 263 CG1 VAL A 20 -0.471 14.965 9.059 1.00 0.00 C ATOM 264 CG2 VAL A 20 1.377 13.331 9.496 1.00 0.00 C ATOM 0 H VAL A 20 3.019 13.521 7.838 1.00 0.00 H new ATOM 0 HA VAL A 20 0.531 13.881 6.833 1.00 0.00 H new ATOM 0 HB VAL A 20 1.601 15.432 9.220 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -0.649 15.025 10.133 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -0.711 15.923 8.597 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -1.103 14.187 8.630 1.00 0.00 H new ATOM 0 HG21 VAL A 20 1.174 13.413 10.564 1.00 0.00 H new ATOM 0 HG22 VAL A 20 0.795 12.509 9.078 1.00 0.00 H new ATOM 0 HG23 VAL A 20 2.439 13.139 9.343 1.00 0.00 H new ATOM 274 N THR A 21 0.428 16.025 5.570 1.00 0.00 N ATOM 275 CA THR A 21 0.239 17.298 4.886 1.00 0.00 C ATOM 276 C THR A 21 -0.991 18.028 5.415 1.00 0.00 C ATOM 277 O THR A 21 -1.865 17.425 6.038 1.00 0.00 O ATOM 278 CB THR A 21 0.091 17.102 3.366 1.00 0.00 C ATOM 279 OG1 THR A 21 0.885 15.991 2.936 1.00 0.00 O ATOM 280 CG2 THR A 21 0.515 18.355 2.615 1.00 0.00 C ATOM 0 H THR A 21 -0.038 15.234 5.125 1.00 0.00 H new ATOM 0 HA THR A 21 1.127 17.898 5.083 1.00 0.00 H new ATOM 0 HB THR A 21 -0.959 16.904 3.148 1.00 0.00 H new ATOM 0 HG1 THR A 21 0.784 15.872 1.968 1.00 0.00 H new ATOM 0 HG21 THR A 21 0.402 18.193 1.543 1.00 0.00 H new ATOM 0 HG22 THR A 21 -0.110 19.193 2.923 1.00 0.00 H new ATOM 0 HG23 THR A 21 1.558 18.579 2.840 1.00 0.00 H new ATOM 288 N THR A 22 -1.053 19.332 5.161 1.00 0.00 N ATOM 289 CA THR A 22 -2.176 20.145 5.612 1.00 0.00 C ATOM 290 C THR A 22 -3.505 19.464 5.308 1.00 0.00 C ATOM 291 O THR A 22 -4.349 19.308 6.191 1.00 0.00 O ATOM 292 CB THR A 22 -2.162 21.536 4.951 1.00 0.00 C ATOM 293 OG1 THR A 22 -1.596 21.450 3.639 1.00 0.00 O ATOM 294 CG2 THR A 22 -1.366 22.525 5.789 1.00 0.00 C ATOM 0 H THR A 22 -0.339 19.847 4.646 1.00 0.00 H new ATOM 0 HA THR A 22 -2.069 20.262 6.690 1.00 0.00 H new ATOM 0 HB THR A 22 -3.190 21.890 4.879 1.00 0.00 H new ATOM 0 HG1 THR A 22 -1.593 22.338 3.225 1.00 0.00 H new ATOM 0 HG21 THR A 22 -1.370 23.500 5.302 1.00 0.00 H new ATOM 0 HG22 THR A 22 -1.818 22.611 6.777 1.00 0.00 H new ATOM 0 HG23 THR A 22 -0.339 22.174 5.889 1.00 0.00 H new ATOM 302 N SER A 23 -3.685 19.059 4.055 1.00 0.00 N ATOM 303 CA SER A 23 -4.914 18.397 3.635 1.00 0.00 C ATOM 304 C SER A 23 -4.612 17.039 3.007 1.00 0.00 C ATOM 305 O SER A 23 -5.405 16.514 2.225 1.00 0.00 O ATOM 306 CB SER A 23 -5.676 19.273 2.639 1.00 0.00 C ATOM 307 OG SER A 23 -4.814 19.759 1.624 1.00 0.00 O ATOM 0 H SER A 23 -2.995 19.178 3.313 1.00 0.00 H new ATOM 0 HA SER A 23 -5.533 18.241 4.518 1.00 0.00 H new ATOM 0 HB2 SER A 23 -6.485 18.698 2.189 1.00 0.00 H new ATOM 0 HB3 SER A 23 -6.134 20.111 3.164 1.00 0.00 H new ATOM 0 HG SER A 23 -5.325 20.315 0.999 1.00 0.00 H new ATOM 313 N SER A 24 -3.460 16.476 3.357 1.00 0.00 N ATOM 314 CA SER A 24 -3.050 15.181 2.826 1.00 0.00 C ATOM 315 C SER A 24 -2.078 14.487 3.775 1.00 0.00 C ATOM 316 O SER A 24 -1.738 15.020 4.833 1.00 0.00 O ATOM 317 CB SER A 24 -2.403 15.352 1.450 1.00 0.00 C ATOM 318 OG SER A 24 -3.138 16.260 0.650 1.00 0.00 O ATOM 0 H SER A 24 -2.794 16.896 4.006 1.00 0.00 H new ATOM 0 HA SER A 24 -3.940 14.559 2.727 1.00 0.00 H new ATOM 0 HB2 SER A 24 -1.381 15.711 1.568 1.00 0.00 H new ATOM 0 HB3 SER A 24 -2.345 14.386 0.949 1.00 0.00 H new ATOM 0 HG SER A 24 -2.703 16.353 -0.223 1.00 0.00 H new ATOM 324 N LEU A 25 -1.634 13.296 3.391 1.00 0.00 N ATOM 325 CA LEU A 25 -0.701 12.527 4.207 1.00 0.00 C ATOM 326 C LEU A 25 -0.261 11.259 3.483 1.00 0.00 C ATOM 327 O LEU A 25 -0.732 10.965 2.384 1.00 0.00 O ATOM 328 CB LEU A 25 -1.343 12.167 5.548 1.00 0.00 C ATOM 329 CG LEU A 25 -2.850 11.909 5.524 1.00 0.00 C ATOM 330 CD1 LEU A 25 -3.167 10.676 4.693 1.00 0.00 C ATOM 331 CD2 LEU A 25 -3.388 11.755 6.939 1.00 0.00 C ATOM 0 H LEU A 25 -1.905 12.841 2.519 1.00 0.00 H new ATOM 0 HA LEU A 25 0.180 13.144 4.387 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -0.849 11.277 5.937 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -1.144 12.975 6.252 1.00 0.00 H new ATOM 0 HG LEU A 25 -3.339 12.767 5.063 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -4.244 10.508 4.687 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -2.818 10.826 3.671 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -2.667 9.809 5.124 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -4.462 11.572 6.902 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -2.893 10.915 7.427 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -3.195 12.667 7.503 1.00 0.00 H new ATOM 343 N ARG A 26 0.642 10.510 4.108 1.00 0.00 N ATOM 344 CA ARG A 26 1.144 9.272 3.524 1.00 0.00 C ATOM 345 C ARG A 26 1.094 8.133 4.537 1.00 0.00 C ATOM 346 O ARG A 26 1.195 8.357 5.745 1.00 0.00 O ATOM 347 CB ARG A 26 2.577 9.463 3.025 1.00 0.00 C ATOM 348 CG ARG A 26 3.088 8.307 2.181 1.00 0.00 C ATOM 349 CD ARG A 26 4.608 8.261 2.160 1.00 0.00 C ATOM 350 NE ARG A 26 5.120 7.642 0.941 1.00 0.00 N ATOM 351 CZ ARG A 26 6.410 7.418 0.716 1.00 0.00 C ATOM 352 NH1 ARG A 26 7.313 7.761 1.623 1.00 0.00 N ATOM 353 NH2 ARG A 26 6.798 6.850 -0.419 1.00 0.00 N ATOM 0 H ARG A 26 1.041 10.739 5.018 1.00 0.00 H new ATOM 0 HA ARG A 26 0.504 9.012 2.680 1.00 0.00 H new ATOM 0 HB2 ARG A 26 2.629 10.380 2.439 1.00 0.00 H new ATOM 0 HB3 ARG A 26 3.237 9.595 3.883 1.00 0.00 H new ATOM 0 HG2 ARG A 26 2.700 7.368 2.575 1.00 0.00 H new ATOM 0 HG3 ARG A 26 2.712 8.405 1.163 1.00 0.00 H new ATOM 0 HD2 ARG A 26 5.002 9.274 2.246 1.00 0.00 H new ATOM 0 HD3 ARG A 26 4.966 7.705 3.027 1.00 0.00 H new ATOM 0 HE ARG A 26 4.450 7.366 0.223 1.00 0.00 H new ATOM 0 HH11 ARG A 26 7.018 8.198 2.496 1.00 0.00 H new ATOM 0 HH12 ARG A 26 8.303 7.588 1.448 1.00 0.00 H new ATOM 0 HH21 ARG A 26 6.106 6.585 -1.119 1.00 0.00 H new ATOM 0 HH22 ARG A 26 7.789 6.678 -0.591 1.00 0.00 H new ATOM 367 N LEU A 27 0.937 6.911 4.040 1.00 0.00 N ATOM 368 CA LEU A 27 0.873 5.736 4.902 1.00 0.00 C ATOM 369 C LEU A 27 2.020 4.776 4.600 1.00 0.00 C ATOM 370 O LEU A 27 2.649 4.858 3.546 1.00 0.00 O ATOM 371 CB LEU A 27 -0.466 5.020 4.723 1.00 0.00 C ATOM 372 CG LEU A 27 -1.657 5.628 5.466 1.00 0.00 C ATOM 373 CD1 LEU A 27 -2.959 5.284 4.760 1.00 0.00 C ATOM 374 CD2 LEU A 27 -1.687 5.145 6.909 1.00 0.00 C ATOM 0 H LEU A 27 0.852 6.708 3.044 1.00 0.00 H new ATOM 0 HA LEU A 27 0.965 6.069 5.936 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -0.702 4.994 3.659 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -0.349 3.986 5.049 1.00 0.00 H new ATOM 0 HG LEU A 27 -1.545 6.712 5.468 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -3.795 5.725 5.303 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -2.937 5.679 3.744 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -3.079 4.201 4.726 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -2.540 5.587 7.423 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -1.775 4.059 6.927 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -0.767 5.443 7.412 1.00 0.00 H new ATOM 386 N ASN A 28 2.284 3.866 5.532 1.00 0.00 N ATOM 387 CA ASN A 28 3.354 2.889 5.365 1.00 0.00 C ATOM 388 C ASN A 28 3.085 1.640 6.199 1.00 0.00 C ATOM 389 O ASN A 28 2.981 1.710 7.423 1.00 0.00 O ATOM 390 CB ASN A 28 4.699 3.502 5.762 1.00 0.00 C ATOM 391 CG ASN A 28 5.102 4.649 4.855 1.00 0.00 C ATOM 392 OD1 ASN A 28 5.798 4.452 3.859 1.00 0.00 O ATOM 393 ND2 ASN A 28 4.665 5.855 5.198 1.00 0.00 N ATOM 0 H ASN A 28 1.772 3.785 6.410 1.00 0.00 H new ATOM 0 HA ASN A 28 3.390 2.602 4.314 1.00 0.00 H new ATOM 0 HB2 ASN A 28 4.643 3.858 6.791 1.00 0.00 H new ATOM 0 HB3 ASN A 28 5.469 2.731 5.733 1.00 0.00 H new ATOM 0 HD21 ASN A 28 4.904 6.666 4.627 1.00 0.00 H new ATOM 0 HD22 ASN A 28 4.090 5.971 6.033 1.00 0.00 H new ATOM 400 N TRP A 29 2.975 0.500 5.527 1.00 0.00 N ATOM 401 CA TRP A 29 2.719 -0.765 6.206 1.00 0.00 C ATOM 402 C TRP A 29 3.625 -1.866 5.667 1.00 0.00 C ATOM 403 O TRP A 29 3.919 -1.910 4.472 1.00 0.00 O ATOM 404 CB TRP A 29 1.253 -1.168 6.042 1.00 0.00 C ATOM 405 CG TRP A 29 0.849 -1.369 4.613 1.00 0.00 C ATOM 406 CD1 TRP A 29 0.950 -2.521 3.886 1.00 0.00 C ATOM 407 CD2 TRP A 29 0.281 -0.388 3.737 1.00 0.00 C ATOM 408 NE1 TRP A 29 0.479 -2.315 2.611 1.00 0.00 N ATOM 409 CE2 TRP A 29 0.062 -1.016 2.495 1.00 0.00 C ATOM 410 CE3 TRP A 29 -0.066 0.957 3.882 1.00 0.00 C ATOM 411 CZ2 TRP A 29 -0.486 -0.342 1.407 1.00 0.00 C ATOM 412 CZ3 TRP A 29 -0.610 1.625 2.801 1.00 0.00 C ATOM 413 CH2 TRP A 29 -0.816 0.975 1.577 1.00 0.00 C ATOM 0 H TRP A 29 3.059 0.425 4.513 1.00 0.00 H new ATOM 0 HA TRP A 29 2.935 -0.630 7.266 1.00 0.00 H new ATOM 0 HB2 TRP A 29 1.073 -2.089 6.596 1.00 0.00 H new ATOM 0 HB3 TRP A 29 0.620 -0.400 6.486 1.00 0.00 H new ATOM 0 HD1 TRP A 29 1.342 -3.456 4.258 1.00 0.00 H new ATOM 0 HE1 TRP A 29 0.446 -3.016 1.871 1.00 0.00 H new ATOM 0 HE3 TRP A 29 0.088 1.466 4.822 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -0.645 -0.841 0.462 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -0.881 2.666 2.902 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -1.244 1.524 0.751 1.00 0.00 H new ATOM 424 N GLU A 30 4.065 -2.753 6.554 1.00 0.00 N ATOM 425 CA GLU A 30 4.939 -3.853 6.164 1.00 0.00 C ATOM 426 C GLU A 30 4.140 -5.137 5.960 1.00 0.00 C ATOM 427 O GLU A 30 3.272 -5.474 6.764 1.00 0.00 O ATOM 428 CB GLU A 30 6.020 -4.075 7.225 1.00 0.00 C ATOM 429 CG GLU A 30 7.039 -5.135 6.842 1.00 0.00 C ATOM 430 CD GLU A 30 8.128 -4.596 5.935 1.00 0.00 C ATOM 431 OE1 GLU A 30 7.895 -4.514 4.711 1.00 0.00 O ATOM 432 OE2 GLU A 30 9.214 -4.257 6.450 1.00 0.00 O ATOM 0 H GLU A 30 3.831 -2.731 7.547 1.00 0.00 H new ATOM 0 HA GLU A 30 5.415 -3.588 5.220 1.00 0.00 H new ATOM 0 HB2 GLU A 30 6.538 -3.133 7.406 1.00 0.00 H new ATOM 0 HB3 GLU A 30 5.544 -4.362 8.162 1.00 0.00 H new ATOM 0 HG2 GLU A 30 7.492 -5.541 7.746 1.00 0.00 H new ATOM 0 HG3 GLU A 30 6.530 -5.959 6.342 1.00 0.00 H new ATOM 439 N ALA A 31 4.440 -5.847 4.878 1.00 0.00 N ATOM 440 CA ALA A 31 3.751 -7.094 4.568 1.00 0.00 C ATOM 441 C ALA A 31 4.693 -8.090 3.900 1.00 0.00 C ATOM 442 O ALA A 31 5.592 -7.721 3.144 1.00 0.00 O ATOM 443 CB ALA A 31 2.547 -6.824 3.677 1.00 0.00 C ATOM 0 H ALA A 31 5.155 -5.580 4.201 1.00 0.00 H new ATOM 0 HA ALA A 31 3.406 -7.532 5.504 1.00 0.00 H new ATOM 0 HB1 ALA A 31 2.042 -7.764 3.453 1.00 0.00 H new ATOM 0 HB2 ALA A 31 1.857 -6.154 4.191 1.00 0.00 H new ATOM 0 HB3 ALA A 31 2.879 -6.360 2.748 1.00 0.00 H new ATOM 449 N PRO A 32 4.485 -9.384 4.185 1.00 0.00 N ATOM 450 CA PRO A 32 5.306 -10.461 3.623 1.00 0.00 C ATOM 451 C PRO A 32 5.069 -10.650 2.128 1.00 0.00 C ATOM 452 O PRO A 32 4.138 -10.091 1.547 1.00 0.00 O ATOM 453 CB PRO A 32 4.849 -11.698 4.398 1.00 0.00 C ATOM 454 CG PRO A 32 3.460 -11.380 4.834 1.00 0.00 C ATOM 455 CD PRO A 32 3.432 -9.897 5.078 1.00 0.00 C ATOM 0 HA PRO A 32 6.372 -10.253 3.718 1.00 0.00 H new ATOM 0 HB2 PRO A 32 4.873 -12.589 3.771 1.00 0.00 H new ATOM 0 HB3 PRO A 32 5.498 -11.892 5.252 1.00 0.00 H new ATOM 0 HG2 PRO A 32 2.737 -11.663 4.070 1.00 0.00 H new ATOM 0 HG3 PRO A 32 3.200 -11.929 5.739 1.00 0.00 H new ATOM 0 HD2 PRO A 32 2.459 -9.469 4.839 1.00 0.00 H new ATOM 0 HD3 PRO A 32 3.638 -9.657 6.121 1.00 0.00 H new ATOM 463 N PRO A 33 5.928 -11.458 1.489 1.00 0.00 N ATOM 464 CA PRO A 33 5.831 -11.740 0.054 1.00 0.00 C ATOM 465 C PRO A 33 4.619 -12.600 -0.287 1.00 0.00 C ATOM 466 O PRO A 33 4.369 -13.620 0.353 1.00 0.00 O ATOM 467 CB PRO A 33 7.126 -12.500 -0.246 1.00 0.00 C ATOM 468 CG PRO A 33 7.513 -13.117 1.053 1.00 0.00 C ATOM 469 CD PRO A 33 7.061 -12.157 2.119 1.00 0.00 C ATOM 0 HA PRO A 33 5.708 -10.830 -0.533 1.00 0.00 H new ATOM 0 HB2 PRO A 33 6.971 -13.258 -1.014 1.00 0.00 H new ATOM 0 HB3 PRO A 33 7.903 -11.829 -0.613 1.00 0.00 H new ATOM 0 HG2 PRO A 33 7.040 -14.091 1.179 1.00 0.00 H new ATOM 0 HG3 PRO A 33 8.590 -13.277 1.103 1.00 0.00 H new ATOM 0 HD2 PRO A 33 6.757 -12.678 3.027 1.00 0.00 H new ATOM 0 HD3 PRO A 33 7.855 -11.465 2.399 1.00 0.00 H new ATOM 477 N GLY A 34 3.867 -12.179 -1.300 1.00 0.00 N ATOM 478 CA GLY A 34 2.690 -12.923 -1.708 1.00 0.00 C ATOM 479 C GLY A 34 1.630 -12.971 -0.625 1.00 0.00 C ATOM 480 O GLY A 34 0.860 -13.927 -0.543 1.00 0.00 O ATOM 0 H GLY A 34 4.052 -11.337 -1.845 1.00 0.00 H new ATOM 0 HA2 GLY A 34 2.269 -12.468 -2.604 1.00 0.00 H new ATOM 0 HA3 GLY A 34 2.980 -13.940 -1.973 1.00 0.00 H new ATOM 484 N ALA A 35 1.591 -11.937 0.209 1.00 0.00 N ATOM 485 CA ALA A 35 0.618 -11.865 1.292 1.00 0.00 C ATOM 486 C ALA A 35 -0.772 -11.534 0.759 1.00 0.00 C ATOM 487 O ALA A 35 -1.773 -12.075 1.230 1.00 0.00 O ATOM 488 CB ALA A 35 1.050 -10.832 2.322 1.00 0.00 C ATOM 0 H ALA A 35 2.222 -11.138 0.155 1.00 0.00 H new ATOM 0 HA ALA A 35 0.572 -12.843 1.772 1.00 0.00 H new ATOM 0 HB1 ALA A 35 0.314 -10.789 3.125 1.00 0.00 H new ATOM 0 HB2 ALA A 35 2.020 -11.112 2.733 1.00 0.00 H new ATOM 0 HB3 ALA A 35 1.126 -9.854 1.847 1.00 0.00 H new ATOM 494 N PHE A 36 -0.828 -10.642 -0.224 1.00 0.00 N ATOM 495 CA PHE A 36 -2.096 -10.237 -0.819 1.00 0.00 C ATOM 496 C PHE A 36 -1.889 -9.712 -2.237 1.00 0.00 C ATOM 497 O PHE A 36 -0.859 -9.112 -2.544 1.00 0.00 O ATOM 498 CB PHE A 36 -2.768 -9.165 0.041 1.00 0.00 C ATOM 499 CG PHE A 36 -2.648 -9.418 1.517 1.00 0.00 C ATOM 500 CD1 PHE A 36 -3.512 -10.293 2.155 1.00 0.00 C ATOM 501 CD2 PHE A 36 -1.672 -8.781 2.265 1.00 0.00 C ATOM 502 CE1 PHE A 36 -3.405 -10.527 3.513 1.00 0.00 C ATOM 503 CE2 PHE A 36 -1.559 -9.011 3.623 1.00 0.00 C ATOM 504 CZ PHE A 36 -2.426 -9.886 4.248 1.00 0.00 C ATOM 0 H PHE A 36 -0.009 -10.185 -0.626 1.00 0.00 H new ATOM 0 HA PHE A 36 -2.743 -11.113 -0.866 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -2.327 -8.196 -0.190 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -3.823 -9.106 -0.225 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -4.278 -10.798 1.585 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -0.991 -8.096 1.781 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -4.086 -11.210 3.999 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -0.794 -8.507 4.195 1.00 0.00 H new ATOM 0 HZ PHE A 36 -2.339 -10.069 5.309 1.00 0.00 H new ATOM 514 N ASP A 37 -2.875 -9.944 -3.096 1.00 0.00 N ATOM 515 CA ASP A 37 -2.802 -9.494 -4.482 1.00 0.00 C ATOM 516 C ASP A 37 -2.736 -7.972 -4.557 1.00 0.00 C ATOM 517 O ASP A 37 -1.957 -7.412 -5.328 1.00 0.00 O ATOM 518 CB ASP A 37 -4.010 -10.004 -5.270 1.00 0.00 C ATOM 519 CG ASP A 37 -3.721 -10.136 -6.752 1.00 0.00 C ATOM 520 OD1 ASP A 37 -2.564 -10.449 -7.106 1.00 0.00 O ATOM 521 OD2 ASP A 37 -4.651 -9.927 -7.558 1.00 0.00 O ATOM 0 H ASP A 37 -3.734 -10.440 -2.858 1.00 0.00 H new ATOM 0 HA ASP A 37 -1.892 -9.901 -4.923 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -4.315 -10.973 -4.875 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -4.848 -9.322 -5.126 1.00 0.00 H new ATOM 526 N SER A 38 -3.559 -7.309 -3.751 1.00 0.00 N ATOM 527 CA SER A 38 -3.598 -5.851 -3.730 1.00 0.00 C ATOM 528 C SER A 38 -3.985 -5.338 -2.346 1.00 0.00 C ATOM 529 O SER A 38 -4.187 -6.119 -1.416 1.00 0.00 O ATOM 530 CB SER A 38 -4.587 -5.331 -4.774 1.00 0.00 C ATOM 531 OG SER A 38 -5.749 -6.140 -4.824 1.00 0.00 O ATOM 0 H SER A 38 -4.208 -7.758 -3.104 1.00 0.00 H new ATOM 0 HA SER A 38 -2.601 -5.482 -3.970 1.00 0.00 H new ATOM 0 HB2 SER A 38 -4.865 -4.304 -4.536 1.00 0.00 H new ATOM 0 HB3 SER A 38 -4.110 -5.313 -5.754 1.00 0.00 H new ATOM 0 HG SER A 38 -6.366 -5.785 -5.498 1.00 0.00 H new ATOM 537 N PHE A 39 -4.088 -4.020 -2.218 1.00 0.00 N ATOM 538 CA PHE A 39 -4.450 -3.401 -0.948 1.00 0.00 C ATOM 539 C PHE A 39 -5.521 -2.333 -1.150 1.00 0.00 C ATOM 540 O PHE A 39 -5.315 -1.359 -1.875 1.00 0.00 O ATOM 541 CB PHE A 39 -3.216 -2.782 -0.288 1.00 0.00 C ATOM 542 CG PHE A 39 -2.382 -3.774 0.472 1.00 0.00 C ATOM 543 CD1 PHE A 39 -2.885 -4.401 1.601 1.00 0.00 C ATOM 544 CD2 PHE A 39 -1.096 -4.079 0.058 1.00 0.00 C ATOM 545 CE1 PHE A 39 -2.121 -5.315 2.302 1.00 0.00 C ATOM 546 CE2 PHE A 39 -0.327 -4.991 0.756 1.00 0.00 C ATOM 547 CZ PHE A 39 -0.840 -5.609 1.880 1.00 0.00 C ATOM 0 H PHE A 39 -3.926 -3.359 -2.978 1.00 0.00 H new ATOM 0 HA PHE A 39 -4.852 -4.176 -0.296 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -2.600 -2.314 -1.055 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -3.535 -1.991 0.391 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -3.886 -4.173 1.937 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -0.690 -3.599 -0.820 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -2.526 -5.799 3.179 1.00 0.00 H new ATOM 0 HE2 PHE A 39 0.674 -5.220 0.423 1.00 0.00 H new ATOM 0 HZ PHE A 39 -0.240 -6.321 2.427 1.00 0.00 H new ATOM 557 N LEU A 40 -6.666 -2.524 -0.503 1.00 0.00 N ATOM 558 CA LEU A 40 -7.772 -1.578 -0.611 1.00 0.00 C ATOM 559 C LEU A 40 -7.874 -0.715 0.643 1.00 0.00 C ATOM 560 O LEU A 40 -8.317 -1.179 1.694 1.00 0.00 O ATOM 561 CB LEU A 40 -9.087 -2.325 -0.839 1.00 0.00 C ATOM 562 CG LEU A 40 -10.218 -1.515 -1.475 1.00 0.00 C ATOM 563 CD1 LEU A 40 -9.843 -1.093 -2.887 1.00 0.00 C ATOM 564 CD2 LEU A 40 -11.510 -2.318 -1.482 1.00 0.00 C ATOM 0 H LEU A 40 -6.853 -3.324 0.101 1.00 0.00 H new ATOM 0 HA LEU A 40 -7.579 -0.926 -1.463 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -8.886 -3.189 -1.472 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -9.436 -2.707 0.120 1.00 0.00 H new ATOM 0 HG LEU A 40 -10.376 -0.616 -0.879 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -10.659 -0.518 -3.324 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -8.943 -0.479 -2.856 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -9.658 -1.979 -3.494 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -12.304 -1.726 -1.938 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -11.366 -3.234 -2.055 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -11.788 -2.570 -0.458 1.00 0.00 H new ATOM 576 N LEU A 41 -7.464 0.543 0.524 1.00 0.00 N ATOM 577 CA LEU A 41 -7.512 1.473 1.647 1.00 0.00 C ATOM 578 C LEU A 41 -8.821 2.255 1.650 1.00 0.00 C ATOM 579 O LEU A 41 -9.217 2.825 0.634 1.00 0.00 O ATOM 580 CB LEU A 41 -6.327 2.438 1.585 1.00 0.00 C ATOM 581 CG LEU A 41 -6.250 3.478 2.703 1.00 0.00 C ATOM 582 CD1 LEU A 41 -5.951 2.809 4.036 1.00 0.00 C ATOM 583 CD2 LEU A 41 -5.196 4.529 2.384 1.00 0.00 C ATOM 0 H LEU A 41 -7.095 0.943 -0.339 1.00 0.00 H new ATOM 0 HA LEU A 41 -7.454 0.895 2.569 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -5.407 1.853 1.596 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -6.360 2.962 0.630 1.00 0.00 H new ATOM 0 HG LEU A 41 -7.218 3.974 2.777 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -5.900 3.565 4.819 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -6.741 2.096 4.271 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -4.997 2.286 3.974 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -5.156 5.261 3.191 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -4.223 4.049 2.281 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -5.454 5.031 1.452 1.00 0.00 H new ATOM 595 N ARG A 42 -9.486 2.280 2.801 1.00 0.00 N ATOM 596 CA ARG A 42 -10.750 2.994 2.937 1.00 0.00 C ATOM 597 C ARG A 42 -10.650 4.076 4.008 1.00 0.00 C ATOM 598 O ARG A 42 -10.421 3.784 5.182 1.00 0.00 O ATOM 599 CB ARG A 42 -11.876 2.019 3.286 1.00 0.00 C ATOM 600 CG ARG A 42 -12.577 1.438 2.069 1.00 0.00 C ATOM 601 CD ARG A 42 -13.686 0.478 2.470 1.00 0.00 C ATOM 602 NE ARG A 42 -14.118 -0.358 1.354 1.00 0.00 N ATOM 603 CZ ARG A 42 -14.789 -1.495 1.503 1.00 0.00 C ATOM 604 NH1 ARG A 42 -15.104 -1.928 2.715 1.00 0.00 N ATOM 605 NH2 ARG A 42 -15.146 -2.200 0.437 1.00 0.00 N ATOM 0 H ARG A 42 -9.171 1.814 3.652 1.00 0.00 H new ATOM 0 HA ARG A 42 -10.974 3.471 1.983 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -11.467 1.204 3.883 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -12.610 2.532 3.907 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -12.994 2.246 1.468 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -11.852 0.917 1.444 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -13.338 -0.157 3.285 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -14.537 1.045 2.848 1.00 0.00 H new ATOM 0 HE ARG A 42 -13.892 -0.052 0.407 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -14.831 -1.388 3.536 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -15.619 -2.801 2.827 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -14.905 -1.869 -0.497 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -15.661 -3.073 0.552 1.00 0.00 H new ATOM 619 N PHE A 43 -10.823 5.328 3.595 1.00 0.00 N ATOM 620 CA PHE A 43 -10.751 6.454 4.518 1.00 0.00 C ATOM 621 C PHE A 43 -12.097 7.167 4.612 1.00 0.00 C ATOM 622 O PHE A 43 -12.628 7.650 3.613 1.00 0.00 O ATOM 623 CB PHE A 43 -9.670 7.440 4.071 1.00 0.00 C ATOM 624 CG PHE A 43 -9.593 7.609 2.580 1.00 0.00 C ATOM 625 CD1 PHE A 43 -9.210 6.553 1.768 1.00 0.00 C ATOM 626 CD2 PHE A 43 -9.904 8.824 1.991 1.00 0.00 C ATOM 627 CE1 PHE A 43 -9.138 6.706 0.396 1.00 0.00 C ATOM 628 CE2 PHE A 43 -9.835 8.982 0.620 1.00 0.00 C ATOM 629 CZ PHE A 43 -9.451 7.922 -0.178 1.00 0.00 C ATOM 0 H PHE A 43 -11.014 5.588 2.627 1.00 0.00 H new ATOM 0 HA PHE A 43 -10.494 6.067 5.504 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -9.862 8.410 4.529 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -8.703 7.099 4.441 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -8.965 5.600 2.212 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -10.204 9.657 2.610 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -8.837 5.876 -0.226 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -10.081 9.934 0.173 1.00 0.00 H new ATOM 0 HZ PHE A 43 -9.396 8.044 -1.250 1.00 0.00 H new ATOM 639 N GLY A 44 -12.645 7.228 5.823 1.00 0.00 N ATOM 640 CA GLY A 44 -13.924 7.883 6.026 1.00 0.00 C ATOM 641 C GLY A 44 -13.884 8.897 7.152 1.00 0.00 C ATOM 642 O GLY A 44 -13.074 8.782 8.072 1.00 0.00 O ATOM 0 H GLY A 44 -12.226 6.836 6.666 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -14.224 8.380 5.104 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -14.683 7.132 6.245 1.00 0.00 H new ATOM 646 N VAL A 45 -14.760 9.894 7.080 1.00 0.00 N ATOM 647 CA VAL A 45 -14.821 10.933 8.101 1.00 0.00 C ATOM 648 C VAL A 45 -15.562 10.443 9.340 1.00 0.00 C ATOM 649 O VAL A 45 -16.769 10.201 9.317 1.00 0.00 O ATOM 650 CB VAL A 45 -15.515 12.202 7.569 1.00 0.00 C ATOM 651 CG1 VAL A 45 -15.597 13.261 8.657 1.00 0.00 C ATOM 652 CG2 VAL A 45 -14.783 12.736 6.347 1.00 0.00 C ATOM 0 H VAL A 45 -15.437 10.004 6.325 1.00 0.00 H new ATOM 0 HA VAL A 45 -13.792 11.175 8.369 1.00 0.00 H new ATOM 0 HB VAL A 45 -16.531 11.943 7.271 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -16.090 14.150 8.263 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -16.168 12.873 9.500 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -14.592 13.521 8.989 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -15.286 13.632 5.984 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -13.756 12.981 6.616 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -14.782 11.978 5.564 1.00 0.00 H new ATOM 662 N PRO A 46 -14.824 10.294 10.450 1.00 0.00 N ATOM 663 CA PRO A 46 -15.390 9.833 11.721 1.00 0.00 C ATOM 664 C PRO A 46 -16.312 10.869 12.355 1.00 0.00 C ATOM 665 O PRO A 46 -15.857 11.906 12.836 1.00 0.00 O ATOM 666 CB PRO A 46 -14.156 9.607 12.598 1.00 0.00 C ATOM 667 CG PRO A 46 -13.117 10.510 12.029 1.00 0.00 C ATOM 668 CD PRO A 46 -13.380 10.565 10.550 1.00 0.00 C ATOM 0 HA PRO A 46 -16.007 8.944 11.593 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -14.362 9.848 13.641 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -13.835 8.566 12.569 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -13.178 11.503 12.473 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -12.116 10.130 12.233 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -13.124 11.539 10.132 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -12.793 9.822 10.010 1.00 0.00 H new ATOM 923 N GLU A 62 -11.452 4.987 -2.159 1.00 0.00 N ATOM 924 CA GLU A 62 -10.432 4.042 -1.721 1.00 0.00 C ATOM 925 C GLU A 62 -9.258 4.017 -2.695 1.00 0.00 C ATOM 926 O GLU A 62 -9.382 4.442 -3.845 1.00 0.00 O ATOM 927 CB GLU A 62 -11.028 2.640 -1.587 1.00 0.00 C ATOM 928 CG GLU A 62 -11.613 2.101 -2.881 1.00 0.00 C ATOM 929 CD GLU A 62 -12.593 3.063 -3.523 1.00 0.00 C ATOM 930 OE1 GLU A 62 -13.670 3.294 -2.933 1.00 0.00 O ATOM 931 OE2 GLU A 62 -12.285 3.584 -4.615 1.00 0.00 O ATOM 0 HA GLU A 62 -10.066 4.368 -0.747 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -10.254 1.957 -1.236 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -11.807 2.657 -0.825 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -10.804 1.891 -3.581 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -12.116 1.155 -2.682 1.00 0.00 H new ATOM 938 N LEU A 63 -8.119 3.517 -2.228 1.00 0.00 N ATOM 939 CA LEU A 63 -6.922 3.436 -3.058 1.00 0.00 C ATOM 940 C LEU A 63 -6.656 1.998 -3.491 1.00 0.00 C ATOM 941 O LEU A 63 -7.091 1.052 -2.836 1.00 0.00 O ATOM 942 CB LEU A 63 -5.713 3.984 -2.297 1.00 0.00 C ATOM 943 CG LEU A 63 -4.584 4.556 -3.154 1.00 0.00 C ATOM 944 CD1 LEU A 63 -5.079 5.743 -3.966 1.00 0.00 C ATOM 945 CD2 LEU A 63 -3.404 4.959 -2.282 1.00 0.00 C ATOM 0 H LEU A 63 -7.999 3.162 -1.279 1.00 0.00 H new ATOM 0 HA LEU A 63 -7.086 4.040 -3.951 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -6.059 4.764 -1.619 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -5.304 3.184 -1.680 1.00 0.00 H new ATOM 0 HG LEU A 63 -4.251 3.782 -3.846 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -4.262 6.137 -4.570 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -5.891 5.424 -4.619 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -5.439 6.520 -3.292 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -2.610 5.364 -2.909 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -3.723 5.716 -1.566 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -3.033 4.086 -1.746 1.00 0.00 H new ATOM 957 N MET A 64 -5.937 1.843 -4.598 1.00 0.00 N ATOM 958 CA MET A 64 -5.610 0.520 -5.117 1.00 0.00 C ATOM 959 C MET A 64 -4.102 0.358 -5.282 1.00 0.00 C ATOM 960 O MET A 64 -3.506 0.909 -6.208 1.00 0.00 O ATOM 961 CB MET A 64 -6.310 0.287 -6.457 1.00 0.00 C ATOM 962 CG MET A 64 -6.654 -1.170 -6.718 1.00 0.00 C ATOM 963 SD MET A 64 -8.287 -1.619 -6.101 1.00 0.00 S ATOM 964 CE MET A 64 -7.974 -3.273 -5.489 1.00 0.00 C ATOM 0 H MET A 64 -5.570 2.616 -5.152 1.00 0.00 H new ATOM 0 HA MET A 64 -5.960 -0.221 -4.399 1.00 0.00 H new ATOM 0 HB2 MET A 64 -7.225 0.879 -6.487 1.00 0.00 H new ATOM 0 HB3 MET A 64 -5.669 0.650 -7.260 1.00 0.00 H new ATOM 0 HG2 MET A 64 -6.609 -1.364 -7.790 1.00 0.00 H new ATOM 0 HG3 MET A 64 -5.904 -1.806 -6.247 1.00 0.00 H new ATOM 0 HE1 MET A 64 -8.893 -3.687 -5.074 1.00 0.00 H new ATOM 0 HE2 MET A 64 -7.628 -3.904 -6.307 1.00 0.00 H new ATOM 0 HE3 MET A 64 -7.210 -3.235 -4.713 1.00 0.00 H new ATOM 974 N VAL A 65 -3.491 -0.401 -4.378 1.00 0.00 N ATOM 975 CA VAL A 65 -2.052 -0.635 -4.424 1.00 0.00 C ATOM 976 C VAL A 65 -1.734 -2.122 -4.312 1.00 0.00 C ATOM 977 O VAL A 65 -2.299 -2.843 -3.489 1.00 0.00 O ATOM 978 CB VAL A 65 -1.324 0.121 -3.297 1.00 0.00 C ATOM 979 CG1 VAL A 65 0.088 0.489 -3.727 1.00 0.00 C ATOM 980 CG2 VAL A 65 -2.108 1.360 -2.894 1.00 0.00 C ATOM 0 H VAL A 65 -3.969 -0.864 -3.605 1.00 0.00 H new ATOM 0 HA VAL A 65 -1.701 -0.262 -5.386 1.00 0.00 H new ATOM 0 HB VAL A 65 -1.254 -0.534 -2.429 1.00 0.00 H new ATOM 0 HG11 VAL A 65 0.587 1.023 -2.918 1.00 0.00 H new ATOM 0 HG12 VAL A 65 0.645 -0.418 -3.961 1.00 0.00 H new ATOM 0 HG13 VAL A 65 0.045 1.127 -4.610 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -1.579 1.882 -2.097 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -2.211 2.021 -3.754 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -3.097 1.066 -2.542 1.00 0.00 H new ATOM 990 N PRO A 66 -0.808 -2.595 -5.159 1.00 0.00 N ATOM 991 CA PRO A 66 -0.392 -4.000 -5.173 1.00 0.00 C ATOM 992 C PRO A 66 0.407 -4.382 -3.932 1.00 0.00 C ATOM 993 O PRO A 66 1.069 -3.541 -3.325 1.00 0.00 O ATOM 994 CB PRO A 66 0.485 -4.098 -6.424 1.00 0.00 C ATOM 995 CG PRO A 66 0.997 -2.715 -6.636 1.00 0.00 C ATOM 996 CD PRO A 66 -0.093 -1.793 -6.166 1.00 0.00 C ATOM 0 HA PRO A 66 -1.246 -4.677 -5.180 1.00 0.00 H new ATOM 0 HB2 PRO A 66 1.302 -4.805 -6.280 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -0.089 -4.444 -7.284 1.00 0.00 H new ATOM 0 HG2 PRO A 66 1.917 -2.549 -6.075 1.00 0.00 H new ATOM 0 HG3 PRO A 66 1.229 -2.542 -7.687 1.00 0.00 H new ATOM 0 HD2 PRO A 66 0.313 -0.877 -5.736 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -0.750 -1.497 -6.984 1.00 0.00 H new ATOM 1004 N GLY A 67 0.339 -5.656 -3.559 1.00 0.00 N ATOM 1005 CA GLY A 67 1.061 -6.127 -2.391 1.00 0.00 C ATOM 1006 C GLY A 67 2.497 -5.642 -2.363 1.00 0.00 C ATOM 1007 O GLY A 67 2.979 -5.161 -1.337 1.00 0.00 O ATOM 0 H GLY A 67 -0.203 -6.371 -4.045 1.00 0.00 H new ATOM 0 HA2 GLY A 67 0.549 -5.789 -1.490 1.00 0.00 H new ATOM 0 HA3 GLY A 67 1.048 -7.217 -2.375 1.00 0.00 H new ATOM 1011 N THR A 68 3.185 -5.770 -3.493 1.00 0.00 N ATOM 1012 CA THR A 68 4.575 -5.344 -3.594 1.00 0.00 C ATOM 1013 C THR A 68 4.744 -3.903 -3.126 1.00 0.00 C ATOM 1014 O THR A 68 5.821 -3.507 -2.681 1.00 0.00 O ATOM 1015 CB THR A 68 5.098 -5.468 -5.037 1.00 0.00 C ATOM 1016 OG1 THR A 68 6.471 -5.068 -5.097 1.00 0.00 O ATOM 1017 CG2 THR A 68 4.273 -4.613 -5.987 1.00 0.00 C ATOM 0 H THR A 68 2.802 -6.166 -4.352 1.00 0.00 H new ATOM 0 HA THR A 68 5.155 -6.003 -2.948 1.00 0.00 H new ATOM 0 HB THR A 68 5.011 -6.510 -5.343 1.00 0.00 H new ATOM 0 HG1 THR A 68 6.796 -5.151 -6.018 1.00 0.00 H new ATOM 0 HG21 THR A 68 4.661 -4.717 -7.000 1.00 0.00 H new ATOM 0 HG22 THR A 68 3.234 -4.940 -5.961 1.00 0.00 H new ATOM 0 HG23 THR A 68 4.332 -3.568 -5.681 1.00 0.00 H new ATOM 1025 N ARG A 69 3.673 -3.123 -3.230 1.00 0.00 N ATOM 1026 CA ARG A 69 3.704 -1.725 -2.818 1.00 0.00 C ATOM 1027 C ARG A 69 2.842 -1.504 -1.578 1.00 0.00 C ATOM 1028 O ARG A 69 1.653 -1.824 -1.571 1.00 0.00 O ATOM 1029 CB ARG A 69 3.218 -0.825 -3.956 1.00 0.00 C ATOM 1030 CG ARG A 69 4.340 -0.299 -4.837 1.00 0.00 C ATOM 1031 CD ARG A 69 3.800 0.550 -5.978 1.00 0.00 C ATOM 1032 NE ARG A 69 4.872 1.123 -6.788 1.00 0.00 N ATOM 1033 CZ ARG A 69 5.532 2.227 -6.458 1.00 0.00 C ATOM 1034 NH1 ARG A 69 5.232 2.874 -5.340 1.00 0.00 N ATOM 1035 NH2 ARG A 69 6.495 2.687 -7.247 1.00 0.00 N ATOM 0 H ARG A 69 2.774 -3.435 -3.596 1.00 0.00 H new ATOM 0 HA ARG A 69 4.735 -1.467 -2.574 1.00 0.00 H new ATOM 0 HB2 ARG A 69 2.513 -1.382 -4.573 1.00 0.00 H new ATOM 0 HB3 ARG A 69 2.673 0.019 -3.533 1.00 0.00 H new ATOM 0 HG2 ARG A 69 5.029 0.294 -4.235 1.00 0.00 H new ATOM 0 HG3 ARG A 69 4.909 -1.136 -5.242 1.00 0.00 H new ATOM 0 HD2 ARG A 69 3.155 -0.060 -6.610 1.00 0.00 H new ATOM 0 HD3 ARG A 69 3.183 1.352 -5.573 1.00 0.00 H new ATOM 0 HE ARG A 69 5.128 0.649 -7.654 1.00 0.00 H new ATOM 0 HH11 ARG A 69 4.493 2.524 -4.731 1.00 0.00 H new ATOM 0 HH12 ARG A 69 5.741 3.722 -5.089 1.00 0.00 H new ATOM 0 HH21 ARG A 69 6.729 2.192 -8.108 1.00 0.00 H new ATOM 0 HH22 ARG A 69 7.001 3.535 -6.992 1.00 0.00 H new ATOM 1049 N HIS A 70 3.451 -0.957 -0.531 1.00 0.00 N ATOM 1050 CA HIS A 70 2.739 -0.694 0.715 1.00 0.00 C ATOM 1051 C HIS A 70 2.719 0.800 1.024 1.00 0.00 C ATOM 1052 O HIS A 70 3.339 1.253 1.986 1.00 0.00 O ATOM 1053 CB HIS A 70 3.390 -1.457 1.870 1.00 0.00 C ATOM 1054 CG HIS A 70 3.794 -2.854 1.512 1.00 0.00 C ATOM 1055 ND1 HIS A 70 5.077 -3.194 1.139 1.00 0.00 N ATOM 1056 CD2 HIS A 70 3.075 -4.000 1.474 1.00 0.00 C ATOM 1057 CE1 HIS A 70 5.130 -4.490 0.885 1.00 0.00 C ATOM 1058 NE2 HIS A 70 3.929 -5.002 1.081 1.00 0.00 N ATOM 0 H HIS A 70 4.435 -0.687 -0.520 1.00 0.00 H new ATOM 0 HA HIS A 70 1.711 -1.037 0.597 1.00 0.00 H new ATOM 0 HB2 HIS A 70 4.269 -0.908 2.207 1.00 0.00 H new ATOM 0 HB3 HIS A 70 2.695 -1.492 2.709 1.00 0.00 H new ATOM 0 HD1 HIS A 70 5.862 -2.547 1.070 1.00 0.00 H new ATOM 0 HD2 HIS A 70 2.026 -4.107 1.709 1.00 0.00 H new ATOM 0 HE1 HIS A 70 6.007 -5.037 0.571 1.00 0.00 H new ATOM 1067 N SER A 71 2.003 1.560 0.202 1.00 0.00 N ATOM 1068 CA SER A 71 1.906 3.003 0.384 1.00 0.00 C ATOM 1069 C SER A 71 0.497 3.498 0.069 1.00 0.00 C ATOM 1070 O SER A 71 -0.245 2.857 -0.674 1.00 0.00 O ATOM 1071 CB SER A 71 2.922 3.721 -0.507 1.00 0.00 C ATOM 1072 OG SER A 71 2.815 3.289 -1.852 1.00 0.00 O ATOM 0 H SER A 71 1.481 1.200 -0.597 1.00 0.00 H new ATOM 0 HA SER A 71 2.126 3.227 1.428 1.00 0.00 H new ATOM 0 HB2 SER A 71 2.761 4.798 -0.454 1.00 0.00 H new ATOM 0 HB3 SER A 71 3.931 3.531 -0.140 1.00 0.00 H new ATOM 0 HG SER A 71 3.473 3.764 -2.401 1.00 0.00 H new ATOM 1078 N ALA A 72 0.137 4.642 0.641 1.00 0.00 N ATOM 1079 CA ALA A 72 -1.181 5.224 0.420 1.00 0.00 C ATOM 1080 C ALA A 72 -1.193 6.707 0.776 1.00 0.00 C ATOM 1081 O ALA A 72 -0.889 7.086 1.907 1.00 0.00 O ATOM 1082 CB ALA A 72 -2.231 4.476 1.229 1.00 0.00 C ATOM 0 H ALA A 72 0.739 5.184 1.261 1.00 0.00 H new ATOM 0 HA ALA A 72 -1.420 5.130 -0.639 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -3.210 4.921 1.054 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -2.248 3.430 0.924 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -1.987 4.540 2.289 1.00 0.00 H new ATOM 1088 N VAL A 73 -1.546 7.542 -0.196 1.00 0.00 N ATOM 1089 CA VAL A 73 -1.598 8.983 0.016 1.00 0.00 C ATOM 1090 C VAL A 73 -2.992 9.531 -0.272 1.00 0.00 C ATOM 1091 O VAL A 73 -3.517 9.374 -1.375 1.00 0.00 O ATOM 1092 CB VAL A 73 -0.576 9.718 -0.872 1.00 0.00 C ATOM 1093 CG1 VAL A 73 -0.642 11.219 -0.633 1.00 0.00 C ATOM 1094 CG2 VAL A 73 0.827 9.191 -0.617 1.00 0.00 C ATOM 0 H VAL A 73 -1.800 7.245 -1.138 1.00 0.00 H new ATOM 0 HA VAL A 73 -1.351 9.158 1.063 1.00 0.00 H new ATOM 0 HB VAL A 73 -0.826 9.529 -1.916 1.00 0.00 H new ATOM 0 HG11 VAL A 73 0.087 11.721 -1.269 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -1.642 11.582 -0.871 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -0.418 11.431 0.413 1.00 0.00 H new ATOM 0 HG21 VAL A 73 1.536 9.721 -1.253 1.00 0.00 H new ATOM 0 HG22 VAL A 73 1.090 9.348 0.429 1.00 0.00 H new ATOM 0 HG23 VAL A 73 0.862 8.126 -0.844 1.00 0.00 H new ATOM 1104 N LEU A 74 -3.586 10.175 0.727 1.00 0.00 N ATOM 1105 CA LEU A 74 -4.919 10.748 0.582 1.00 0.00 C ATOM 1106 C LEU A 74 -4.846 12.261 0.408 1.00 0.00 C ATOM 1107 O LEU A 74 -4.047 12.933 1.061 1.00 0.00 O ATOM 1108 CB LEU A 74 -5.779 10.404 1.800 1.00 0.00 C ATOM 1109 CG LEU A 74 -5.921 8.916 2.122 1.00 0.00 C ATOM 1110 CD1 LEU A 74 -6.332 8.138 0.882 1.00 0.00 C ATOM 1111 CD2 LEU A 74 -4.622 8.367 2.692 1.00 0.00 C ATOM 0 H LEU A 74 -3.165 10.313 1.646 1.00 0.00 H new ATOM 0 HA LEU A 74 -5.376 10.320 -0.310 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -5.357 10.905 2.671 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -6.775 10.819 1.645 1.00 0.00 H new ATOM 0 HG LEU A 74 -6.702 8.800 2.874 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -6.428 7.081 1.131 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -7.288 8.513 0.517 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -5.575 8.261 0.108 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -4.742 7.307 2.915 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -3.822 8.496 1.963 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -4.370 8.904 3.606 1.00 0.00 H new ATOM 1123 N ARG A 75 -5.686 12.792 -0.474 1.00 0.00 N ATOM 1124 CA ARG A 75 -5.717 14.226 -0.733 1.00 0.00 C ATOM 1125 C ARG A 75 -7.125 14.783 -0.541 1.00 0.00 C ATOM 1126 O ARG A 75 -8.067 14.037 -0.273 1.00 0.00 O ATOM 1127 CB ARG A 75 -5.230 14.521 -2.153 1.00 0.00 C ATOM 1128 CG ARG A 75 -3.792 14.098 -2.403 1.00 0.00 C ATOM 1129 CD ARG A 75 -3.279 14.626 -3.734 1.00 0.00 C ATOM 1130 NE ARG A 75 -3.751 13.823 -4.859 1.00 0.00 N ATOM 1131 CZ ARG A 75 -3.393 12.560 -5.061 1.00 0.00 C ATOM 1132 NH1 ARG A 75 -2.565 11.959 -4.218 1.00 0.00 N ATOM 1133 NH2 ARG A 75 -3.865 11.895 -6.108 1.00 0.00 N ATOM 0 H ARG A 75 -6.355 12.250 -1.022 1.00 0.00 H new ATOM 0 HA ARG A 75 -5.052 14.712 -0.020 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -5.879 14.010 -2.864 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -5.324 15.590 -2.346 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -3.158 14.465 -1.596 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -3.724 13.010 -2.391 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -3.604 15.658 -3.864 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -2.189 14.633 -3.726 1.00 0.00 H new ATOM 0 HE ARG A 75 -4.390 14.256 -5.526 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -2.201 12.467 -3.412 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -2.292 10.989 -4.376 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -4.503 12.354 -6.758 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -3.590 10.925 -6.263 1.00 0.00 H new ATOM 1147 N ASP A 76 -7.260 16.097 -0.681 1.00 0.00 N ATOM 1148 CA ASP A 76 -8.552 16.754 -0.523 1.00 0.00 C ATOM 1149 C ASP A 76 -9.078 16.586 0.899 1.00 0.00 C ATOM 1150 O ASP A 76 -10.286 16.619 1.134 1.00 0.00 O ATOM 1151 CB ASP A 76 -9.562 16.187 -1.523 1.00 0.00 C ATOM 1152 CG ASP A 76 -9.489 16.875 -2.872 1.00 0.00 C ATOM 1153 OD1 ASP A 76 -9.979 18.017 -2.983 1.00 0.00 O ATOM 1154 OD2 ASP A 76 -8.942 16.269 -3.818 1.00 0.00 O ATOM 0 H ASP A 76 -6.490 16.728 -0.904 1.00 0.00 H new ATOM 0 HA ASP A 76 -8.416 17.818 -0.718 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -9.381 15.120 -1.652 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -10.568 16.293 -1.118 1.00 0.00 H new ATOM 1159 N LEU A 77 -8.162 16.407 1.845 1.00 0.00 N ATOM 1160 CA LEU A 77 -8.533 16.233 3.245 1.00 0.00 C ATOM 1161 C LEU A 77 -8.753 17.582 3.921 1.00 0.00 C ATOM 1162 O LEU A 77 -8.509 18.632 3.328 1.00 0.00 O ATOM 1163 CB LEU A 77 -7.448 15.449 3.986 1.00 0.00 C ATOM 1164 CG LEU A 77 -7.041 14.113 3.363 1.00 0.00 C ATOM 1165 CD1 LEU A 77 -6.120 13.346 4.299 1.00 0.00 C ATOM 1166 CD2 LEU A 77 -8.272 13.285 3.026 1.00 0.00 C ATOM 0 H LEU A 77 -7.158 16.379 1.668 1.00 0.00 H new ATOM 0 HA LEU A 77 -9.467 15.672 3.282 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -6.561 16.078 4.061 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -7.793 15.263 5.003 1.00 0.00 H new ATOM 0 HG LEU A 77 -6.499 14.315 2.439 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -5.841 12.398 3.839 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -5.223 13.935 4.490 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -6.635 13.155 5.240 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -7.963 12.338 2.584 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -8.841 13.092 3.935 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -8.895 13.831 2.317 1.00 0.00 H new ATOM 1178 N ARG A 78 -9.214 17.545 5.167 1.00 0.00 N ATOM 1179 CA ARG A 78 -9.467 18.765 5.925 1.00 0.00 C ATOM 1180 C ARG A 78 -8.243 19.157 6.747 1.00 0.00 C ATOM 1181 O ARG A 78 -7.255 18.424 6.796 1.00 0.00 O ATOM 1182 CB ARG A 78 -10.674 18.578 6.846 1.00 0.00 C ATOM 1183 CG ARG A 78 -12.007 18.615 6.117 1.00 0.00 C ATOM 1184 CD ARG A 78 -13.153 18.205 7.029 1.00 0.00 C ATOM 1185 NE ARG A 78 -14.392 17.988 6.288 1.00 0.00 N ATOM 1186 CZ ARG A 78 -15.573 17.802 6.868 1.00 0.00 C ATOM 1187 NH1 ARG A 78 -15.673 17.807 8.190 1.00 0.00 N ATOM 1188 NH2 ARG A 78 -16.655 17.611 6.125 1.00 0.00 N ATOM 0 H ARG A 78 -9.420 16.684 5.673 1.00 0.00 H new ATOM 0 HA ARG A 78 -9.680 19.566 5.217 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -10.580 17.624 7.365 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -10.664 19.358 7.607 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -12.186 19.620 5.735 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -11.970 17.949 5.255 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -12.884 17.292 7.561 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -13.311 18.977 7.782 1.00 0.00 H new ATOM 0 HE ARG A 78 -14.349 17.979 5.269 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -14.843 17.954 8.764 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -16.580 17.664 8.633 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -16.581 17.607 5.108 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -17.561 17.468 6.571 1.00 0.00 H new ATOM 1202 N SER A 79 -8.316 20.318 7.391 1.00 0.00 N ATOM 1203 CA SER A 79 -7.212 20.810 8.208 1.00 0.00 C ATOM 1204 C SER A 79 -7.462 20.527 9.686 1.00 0.00 C ATOM 1205 O SER A 79 -8.576 20.693 10.182 1.00 0.00 O ATOM 1206 CB SER A 79 -7.019 22.312 7.990 1.00 0.00 C ATOM 1207 OG SER A 79 -7.980 23.060 8.713 1.00 0.00 O ATOM 0 H SER A 79 -9.128 20.935 7.363 1.00 0.00 H new ATOM 0 HA SER A 79 -6.306 20.286 7.904 1.00 0.00 H new ATOM 0 HB2 SER A 79 -6.016 22.602 8.304 1.00 0.00 H new ATOM 0 HB3 SER A 79 -7.099 22.542 6.927 1.00 0.00 H new ATOM 0 HG SER A 79 -7.834 24.017 8.558 1.00 0.00 H new ATOM 1213 N GLY A 80 -6.416 20.098 10.385 1.00 0.00 N ATOM 1214 CA GLY A 80 -6.541 19.799 11.800 1.00 0.00 C ATOM 1215 C GLY A 80 -7.727 18.903 12.100 1.00 0.00 C ATOM 1216 O GLY A 80 -8.499 19.169 13.022 1.00 0.00 O ATOM 0 H GLY A 80 -5.484 19.952 9.997 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -5.628 19.317 12.149 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -6.643 20.730 12.358 1.00 0.00 H new ATOM 1220 N THR A 81 -7.874 17.838 11.318 1.00 0.00 N ATOM 1221 CA THR A 81 -8.976 16.901 11.503 1.00 0.00 C ATOM 1222 C THR A 81 -8.480 15.460 11.489 1.00 0.00 C ATOM 1223 O THR A 81 -7.614 15.097 10.692 1.00 0.00 O ATOM 1224 CB THR A 81 -10.048 17.073 10.410 1.00 0.00 C ATOM 1225 OG1 THR A 81 -10.468 18.441 10.347 1.00 0.00 O ATOM 1226 CG2 THR A 81 -11.249 16.181 10.686 1.00 0.00 C ATOM 0 H THR A 81 -7.244 17.603 10.551 1.00 0.00 H new ATOM 0 HA THR A 81 -9.419 17.121 12.474 1.00 0.00 H new ATOM 0 HB THR A 81 -9.611 16.783 9.454 1.00 0.00 H new ATOM 0 HG1 THR A 81 -9.698 19.010 10.139 1.00 0.00 H new ATOM 0 HG21 THR A 81 -11.993 16.319 9.901 1.00 0.00 H new ATOM 0 HG22 THR A 81 -10.931 15.139 10.705 1.00 0.00 H new ATOM 0 HG23 THR A 81 -11.685 16.445 11.650 1.00 0.00 H new ATOM 1234 N LEU A 82 -9.033 14.641 12.377 1.00 0.00 N ATOM 1235 CA LEU A 82 -8.648 13.237 12.467 1.00 0.00 C ATOM 1236 C LEU A 82 -9.370 12.405 11.412 1.00 0.00 C ATOM 1237 O LEU A 82 -10.593 12.466 11.289 1.00 0.00 O ATOM 1238 CB LEU A 82 -8.957 12.691 13.862 1.00 0.00 C ATOM 1239 CG LEU A 82 -8.355 11.325 14.197 1.00 0.00 C ATOM 1240 CD1 LEU A 82 -9.041 10.229 13.396 1.00 0.00 C ATOM 1241 CD2 LEU A 82 -6.857 11.323 13.932 1.00 0.00 C ATOM 0 H LEU A 82 -9.750 14.925 13.045 1.00 0.00 H new ATOM 0 HA LEU A 82 -7.575 13.168 12.286 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -8.604 13.412 14.599 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -10.039 12.626 13.973 1.00 0.00 H new ATOM 0 HG LEU A 82 -8.517 11.128 15.257 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -8.600 9.264 13.647 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -10.104 10.215 13.635 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -8.911 10.421 12.331 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -6.446 10.343 14.176 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -6.673 11.542 12.880 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -6.377 12.082 14.550 1.00 0.00 H new ATOM 1253 N TYR A 83 -8.605 11.627 10.654 1.00 0.00 N ATOM 1254 CA TYR A 83 -9.172 10.782 9.609 1.00 0.00 C ATOM 1255 C TYR A 83 -9.050 9.306 9.976 1.00 0.00 C ATOM 1256 O TYR A 83 -8.029 8.869 10.506 1.00 0.00 O ATOM 1257 CB TYR A 83 -8.472 11.047 8.275 1.00 0.00 C ATOM 1258 CG TYR A 83 -9.114 12.148 7.462 1.00 0.00 C ATOM 1259 CD1 TYR A 83 -8.742 13.475 7.636 1.00 0.00 C ATOM 1260 CD2 TYR A 83 -10.094 11.860 6.519 1.00 0.00 C ATOM 1261 CE1 TYR A 83 -9.327 14.484 6.896 1.00 0.00 C ATOM 1262 CE2 TYR A 83 -10.683 12.863 5.773 1.00 0.00 C ATOM 1263 CZ TYR A 83 -10.297 14.173 5.965 1.00 0.00 C ATOM 1264 OH TYR A 83 -10.881 15.175 5.225 1.00 0.00 O ATOM 0 H TYR A 83 -7.591 11.564 10.743 1.00 0.00 H new ATOM 0 HA TYR A 83 -10.230 11.027 9.512 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -7.431 11.308 8.466 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -8.468 10.129 7.688 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -7.982 13.722 8.363 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -10.400 10.835 6.367 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -9.027 15.511 7.045 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -11.442 12.622 5.043 1.00 0.00 H new ATOM 0 HH TYR A 83 -11.543 14.788 4.615 1.00 0.00 H new ATOM 1274 N SER A 84 -10.101 8.544 9.689 1.00 0.00 N ATOM 1275 CA SER A 84 -10.115 7.117 9.991 1.00 0.00 C ATOM 1276 C SER A 84 -9.736 6.298 8.761 1.00 0.00 C ATOM 1277 O SER A 84 -10.517 6.177 7.816 1.00 0.00 O ATOM 1278 CB SER A 84 -11.497 6.694 10.493 1.00 0.00 C ATOM 1279 OG SER A 84 -11.542 5.302 10.750 1.00 0.00 O ATOM 0 H SER A 84 -10.953 8.890 9.248 1.00 0.00 H new ATOM 0 HA SER A 84 -9.379 6.929 10.773 1.00 0.00 H new ATOM 0 HB2 SER A 84 -11.741 7.243 11.403 1.00 0.00 H new ATOM 0 HB3 SER A 84 -12.252 6.955 9.751 1.00 0.00 H new ATOM 0 HG SER A 84 -12.435 5.057 11.071 1.00 0.00 H new ATOM 1285 N LEU A 85 -8.532 5.738 8.779 1.00 0.00 N ATOM 1286 CA LEU A 85 -8.046 4.929 7.666 1.00 0.00 C ATOM 1287 C LEU A 85 -8.089 3.444 8.013 1.00 0.00 C ATOM 1288 O LEU A 85 -7.895 3.058 9.167 1.00 0.00 O ATOM 1289 CB LEU A 85 -6.620 5.338 7.297 1.00 0.00 C ATOM 1290 CG LEU A 85 -6.249 6.797 7.565 1.00 0.00 C ATOM 1291 CD1 LEU A 85 -4.745 6.941 7.745 1.00 0.00 C ATOM 1292 CD2 LEU A 85 -6.740 7.688 6.434 1.00 0.00 C ATOM 0 H LEU A 85 -7.873 5.829 9.553 1.00 0.00 H new ATOM 0 HA LEU A 85 -8.699 5.102 6.811 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -5.927 4.701 7.847 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -6.468 5.134 6.237 1.00 0.00 H new ATOM 0 HG LEU A 85 -6.737 7.113 8.487 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -4.500 7.986 7.935 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -4.420 6.333 8.589 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -4.237 6.608 6.840 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -6.467 8.723 6.641 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -6.281 7.373 5.497 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -7.824 7.608 6.352 1.00 0.00 H new ATOM 1304 N THR A 86 -8.341 2.613 7.006 1.00 0.00 N ATOM 1305 CA THR A 86 -8.407 1.171 7.204 1.00 0.00 C ATOM 1306 C THR A 86 -7.990 0.423 5.942 1.00 0.00 C ATOM 1307 O THR A 86 -8.681 0.471 4.923 1.00 0.00 O ATOM 1308 CB THR A 86 -9.825 0.724 7.607 1.00 0.00 C ATOM 1309 OG1 THR A 86 -10.271 1.473 8.743 1.00 0.00 O ATOM 1310 CG2 THR A 86 -9.852 -0.762 7.931 1.00 0.00 C ATOM 0 H THR A 86 -8.503 2.915 6.045 1.00 0.00 H new ATOM 0 HA THR A 86 -7.715 0.931 8.011 1.00 0.00 H new ATOM 0 HB THR A 86 -10.493 0.909 6.766 1.00 0.00 H new ATOM 0 HG1 THR A 86 -11.174 1.184 8.992 1.00 0.00 H new ATOM 0 HG21 THR A 86 -10.863 -1.055 8.213 1.00 0.00 H new ATOM 0 HG22 THR A 86 -9.540 -1.331 7.055 1.00 0.00 H new ATOM 0 HG23 THR A 86 -9.172 -0.967 8.758 1.00 0.00 H new ATOM 1318 N LEU A 87 -6.858 -0.267 6.017 1.00 0.00 N ATOM 1319 CA LEU A 87 -6.348 -1.026 4.880 1.00 0.00 C ATOM 1320 C LEU A 87 -6.909 -2.445 4.877 1.00 0.00 C ATOM 1321 O LEU A 87 -7.227 -2.999 5.930 1.00 0.00 O ATOM 1322 CB LEU A 87 -4.820 -1.070 4.914 1.00 0.00 C ATOM 1323 CG LEU A 87 -4.128 -1.418 3.596 1.00 0.00 C ATOM 1324 CD1 LEU A 87 -4.270 -0.276 2.601 1.00 0.00 C ATOM 1325 CD2 LEU A 87 -2.661 -1.742 3.832 1.00 0.00 C ATOM 0 H LEU A 87 -6.275 -0.317 6.853 1.00 0.00 H new ATOM 0 HA LEU A 87 -6.670 -0.525 3.967 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -4.456 -0.098 5.246 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -4.514 -1.799 5.665 1.00 0.00 H new ATOM 0 HG LEU A 87 -4.611 -2.301 3.177 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -3.771 -0.542 1.669 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -5.327 -0.091 2.407 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -3.814 0.624 3.013 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -2.185 -1.987 2.882 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -2.164 -0.879 4.274 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -2.581 -2.593 4.508 1.00 0.00 H new ATOM 1337 N TYR A 88 -7.026 -3.027 3.689 1.00 0.00 N ATOM 1338 CA TYR A 88 -7.549 -4.381 3.550 1.00 0.00 C ATOM 1339 C TYR A 88 -6.647 -5.223 2.652 1.00 0.00 C ATOM 1340 O TYR A 88 -6.412 -4.881 1.493 1.00 0.00 O ATOM 1341 CB TYR A 88 -8.967 -4.346 2.978 1.00 0.00 C ATOM 1342 CG TYR A 88 -9.992 -3.784 3.937 1.00 0.00 C ATOM 1343 CD1 TYR A 88 -10.509 -4.560 4.967 1.00 0.00 C ATOM 1344 CD2 TYR A 88 -10.444 -2.475 3.813 1.00 0.00 C ATOM 1345 CE1 TYR A 88 -11.446 -4.050 5.845 1.00 0.00 C ATOM 1346 CE2 TYR A 88 -11.380 -1.957 4.686 1.00 0.00 C ATOM 1347 CZ TYR A 88 -11.878 -2.748 5.701 1.00 0.00 C ATOM 1348 OH TYR A 88 -12.811 -2.236 6.573 1.00 0.00 O ATOM 0 H TYR A 88 -6.766 -2.583 2.808 1.00 0.00 H new ATOM 0 HA TYR A 88 -7.575 -4.837 4.540 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -8.968 -3.748 2.067 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -9.261 -5.357 2.696 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -10.173 -5.580 5.083 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -10.056 -1.853 3.020 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -11.838 -4.667 6.640 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -11.721 -0.938 4.575 1.00 0.00 H new ATOM 0 HH TYR A 88 -13.006 -1.306 6.334 1.00 0.00 H new ATOM 1358 N GLY A 89 -6.145 -6.327 3.196 1.00 0.00 N ATOM 1359 CA GLY A 89 -5.276 -7.202 2.432 1.00 0.00 C ATOM 1360 C GLY A 89 -6.048 -8.138 1.524 1.00 0.00 C ATOM 1361 O GLY A 89 -6.368 -9.264 1.908 1.00 0.00 O ATOM 0 H GLY A 89 -6.325 -6.631 4.153 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -4.595 -6.599 1.832 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -4.663 -7.788 3.117 1.00 0.00 H new ATOM 1365 N LEU A 90 -6.351 -7.673 0.317 1.00 0.00 N ATOM 1366 CA LEU A 90 -7.093 -8.476 -0.649 1.00 0.00 C ATOM 1367 C LEU A 90 -6.266 -9.671 -1.113 1.00 0.00 C ATOM 1368 O LEU A 90 -5.298 -9.517 -1.857 1.00 0.00 O ATOM 1369 CB LEU A 90 -7.494 -7.621 -1.852 1.00 0.00 C ATOM 1370 CG LEU A 90 -8.786 -6.817 -1.703 1.00 0.00 C ATOM 1371 CD1 LEU A 90 -9.973 -7.746 -1.500 1.00 0.00 C ATOM 1372 CD2 LEU A 90 -8.672 -5.834 -0.547 1.00 0.00 C ATOM 0 H LEU A 90 -6.094 -6.744 -0.016 1.00 0.00 H new ATOM 0 HA LEU A 90 -7.993 -8.848 -0.160 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -6.681 -6.928 -2.067 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -7.594 -8.274 -2.719 1.00 0.00 H new ATOM 0 HG LEU A 90 -8.947 -6.251 -2.621 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -10.883 -7.156 -1.396 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -10.067 -8.409 -2.360 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -9.820 -8.340 -0.599 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -9.601 -5.270 -0.456 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -8.487 -6.380 0.378 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -7.847 -5.146 -0.734 1.00 0.00 H new ATOM 1384 N ARG A 91 -6.656 -10.862 -0.669 1.00 0.00 N ATOM 1385 CA ARG A 91 -5.952 -12.083 -1.040 1.00 0.00 C ATOM 1386 C ARG A 91 -6.503 -12.654 -2.343 1.00 0.00 C ATOM 1387 O ARG A 91 -6.217 -13.796 -2.702 1.00 0.00 O ATOM 1388 CB ARG A 91 -6.070 -13.124 0.075 1.00 0.00 C ATOM 1389 CG ARG A 91 -5.037 -14.235 -0.016 1.00 0.00 C ATOM 1390 CD ARG A 91 -3.655 -13.745 0.387 1.00 0.00 C ATOM 1391 NE ARG A 91 -2.601 -14.656 -0.052 1.00 0.00 N ATOM 1392 CZ ARG A 91 -2.287 -15.778 0.585 1.00 0.00 C ATOM 1393 NH1 ARG A 91 -2.942 -16.126 1.684 1.00 0.00 N ATOM 1394 NH2 ARG A 91 -1.316 -16.555 0.123 1.00 0.00 N ATOM 0 H ARG A 91 -7.455 -11.007 -0.052 1.00 0.00 H new ATOM 0 HA ARG A 91 -4.901 -11.836 -1.187 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -5.970 -12.625 1.039 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -7.067 -13.563 0.046 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -5.333 -15.062 0.629 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -5.005 -14.621 -1.035 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -3.482 -12.757 -0.041 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -3.611 -13.635 1.471 1.00 0.00 H new ATOM 0 HE ARG A 91 -2.077 -14.417 -0.894 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -3.689 -15.531 2.042 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -2.699 -16.988 2.171 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -0.810 -16.291 -0.722 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -1.076 -17.417 0.613 1.00 0.00 H new ATOM 1408 N GLY A 92 -7.295 -11.852 -3.047 1.00 0.00 N ATOM 1409 CA GLY A 92 -7.874 -12.295 -4.302 1.00 0.00 C ATOM 1410 C GLY A 92 -9.327 -11.887 -4.446 1.00 0.00 C ATOM 1411 O GLY A 92 -9.645 -10.735 -4.739 1.00 0.00 O ATOM 0 H GLY A 92 -7.546 -10.903 -2.771 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -7.299 -11.880 -5.130 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -7.796 -13.380 -4.372 1.00 0.00 H new ATOM 1415 N PRO A 93 -10.239 -12.849 -4.239 1.00 0.00 N ATOM 1416 CA PRO A 93 -11.681 -12.609 -4.343 1.00 0.00 C ATOM 1417 C PRO A 93 -12.206 -11.732 -3.211 1.00 0.00 C ATOM 1418 O PRO A 93 -12.889 -10.735 -3.450 1.00 0.00 O ATOM 1419 CB PRO A 93 -12.282 -14.014 -4.253 1.00 0.00 C ATOM 1420 CG PRO A 93 -11.271 -14.811 -3.503 1.00 0.00 C ATOM 1421 CD PRO A 93 -9.931 -14.246 -3.886 1.00 0.00 C ATOM 0 HA PRO A 93 -11.940 -12.077 -5.258 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -13.241 -14.002 -3.734 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -12.461 -14.432 -5.244 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -11.434 -14.735 -2.428 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -11.337 -15.868 -3.762 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -9.220 -14.305 -3.062 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -9.492 -14.785 -4.725 1.00 0.00 H new ATOM 1429 N HIS A 94 -11.881 -12.107 -1.978 1.00 0.00 N ATOM 1430 CA HIS A 94 -12.319 -11.353 -0.809 1.00 0.00 C ATOM 1431 C HIS A 94 -11.130 -10.969 0.067 1.00 0.00 C ATOM 1432 O HIS A 94 -10.070 -11.591 0.000 1.00 0.00 O ATOM 1433 CB HIS A 94 -13.323 -12.171 0.005 1.00 0.00 C ATOM 1434 CG HIS A 94 -12.683 -13.176 0.912 1.00 0.00 C ATOM 1435 ND1 HIS A 94 -13.175 -13.482 2.163 1.00 0.00 N ATOM 1436 CD2 HIS A 94 -11.583 -13.947 0.742 1.00 0.00 C ATOM 1437 CE1 HIS A 94 -12.405 -14.397 2.724 1.00 0.00 C ATOM 1438 NE2 HIS A 94 -11.432 -14.697 1.883 1.00 0.00 N ATOM 0 H HIS A 94 -11.316 -12.928 -1.763 1.00 0.00 H new ATOM 0 HA HIS A 94 -12.802 -10.440 -1.157 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -13.933 -11.492 0.601 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -13.997 -12.688 -0.678 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -10.944 -13.968 -0.128 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -12.547 -14.827 3.704 1.00 0.00 H new ATOM 0 HE2 HIS A 94 -10.689 -15.375 2.053 1.00 0.00 H new ATOM 1447 N LYS A 95 -11.314 -9.940 0.887 1.00 0.00 N ATOM 1448 CA LYS A 95 -10.258 -9.472 1.776 1.00 0.00 C ATOM 1449 C LYS A 95 -9.943 -10.515 2.844 1.00 0.00 C ATOM 1450 O LYS A 95 -10.829 -11.238 3.298 1.00 0.00 O ATOM 1451 CB LYS A 95 -10.668 -8.155 2.440 1.00 0.00 C ATOM 1452 CG LYS A 95 -11.977 -8.242 3.206 1.00 0.00 C ATOM 1453 CD LYS A 95 -12.577 -6.867 3.442 1.00 0.00 C ATOM 1454 CE LYS A 95 -13.218 -6.314 2.178 1.00 0.00 C ATOM 1455 NZ LYS A 95 -14.398 -7.119 1.756 1.00 0.00 N ATOM 0 H LYS A 95 -12.185 -9.414 0.954 1.00 0.00 H new ATOM 0 HA LYS A 95 -9.361 -9.307 1.178 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -9.878 -7.840 3.122 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -10.755 -7.384 1.675 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -12.684 -8.858 2.651 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -11.807 -8.735 4.163 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -13.324 -6.926 4.234 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -11.800 -6.184 3.786 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -13.525 -5.282 2.348 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -12.482 -6.300 1.374 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -14.989 -6.557 1.111 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -14.075 -7.979 1.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -14.955 -7.384 2.593 1.00 0.00 H new ATOM 1469 N ALA A 96 -8.676 -10.587 3.240 1.00 0.00 N ATOM 1470 CA ALA A 96 -8.246 -11.539 4.256 1.00 0.00 C ATOM 1471 C ALA A 96 -7.994 -10.843 5.589 1.00 0.00 C ATOM 1472 O ALA A 96 -8.549 -11.230 6.617 1.00 0.00 O ATOM 1473 CB ALA A 96 -6.995 -12.273 3.796 1.00 0.00 C ATOM 0 H ALA A 96 -7.930 -9.997 2.872 1.00 0.00 H new ATOM 0 HA ALA A 96 -9.047 -12.264 4.401 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -6.685 -12.981 4.565 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -7.208 -12.811 2.872 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -6.195 -11.554 3.621 1.00 0.00 H new ATOM 1479 N ASP A 97 -7.153 -9.815 5.564 1.00 0.00 N ATOM 1480 CA ASP A 97 -6.828 -9.064 6.771 1.00 0.00 C ATOM 1481 C ASP A 97 -7.250 -7.605 6.634 1.00 0.00 C ATOM 1482 O ASP A 97 -7.573 -7.142 5.540 1.00 0.00 O ATOM 1483 CB ASP A 97 -5.328 -9.149 7.061 1.00 0.00 C ATOM 1484 CG ASP A 97 -4.972 -8.604 8.430 1.00 0.00 C ATOM 1485 OD1 ASP A 97 -5.568 -9.064 9.426 1.00 0.00 O ATOM 1486 OD2 ASP A 97 -4.095 -7.718 8.505 1.00 0.00 O ATOM 0 H ASP A 97 -6.684 -9.483 4.721 1.00 0.00 H new ATOM 0 HA ASP A 97 -7.377 -9.505 7.603 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -5.006 -10.188 6.992 1.00 0.00 H new ATOM 0 HB3 ASP A 97 -4.781 -8.594 6.299 1.00 0.00 H new ATOM 1491 N SER A 98 -7.246 -6.885 7.752 1.00 0.00 N ATOM 1492 CA SER A 98 -7.634 -5.480 7.757 1.00 0.00 C ATOM 1493 C SER A 98 -7.071 -4.766 8.982 1.00 0.00 C ATOM 1494 O SER A 98 -7.362 -5.137 10.119 1.00 0.00 O ATOM 1495 CB SER A 98 -9.158 -5.349 7.733 1.00 0.00 C ATOM 1496 OG SER A 98 -9.711 -5.585 9.016 1.00 0.00 O ATOM 0 H SER A 98 -6.978 -7.252 8.665 1.00 0.00 H new ATOM 0 HA SER A 98 -7.222 -5.012 6.863 1.00 0.00 H new ATOM 0 HB2 SER A 98 -9.435 -4.351 7.392 1.00 0.00 H new ATOM 0 HB3 SER A 98 -9.576 -6.058 7.018 1.00 0.00 H new ATOM 0 HG SER A 98 -8.996 -5.831 9.640 1.00 0.00 H new ATOM 1502 N ILE A 99 -6.262 -3.739 8.741 1.00 0.00 N ATOM 1503 CA ILE A 99 -5.658 -2.972 9.824 1.00 0.00 C ATOM 1504 C ILE A 99 -6.287 -1.587 9.933 1.00 0.00 C ATOM 1505 O ILE A 99 -6.692 -0.999 8.932 1.00 0.00 O ATOM 1506 CB ILE A 99 -4.139 -2.819 9.626 1.00 0.00 C ATOM 1507 CG1 ILE A 99 -3.491 -2.259 10.894 1.00 0.00 C ATOM 1508 CG2 ILE A 99 -3.847 -1.920 8.434 1.00 0.00 C ATOM 1509 CD1 ILE A 99 -2.015 -2.571 11.007 1.00 0.00 C ATOM 0 H ILE A 99 -6.010 -3.419 7.806 1.00 0.00 H new ATOM 0 HA ILE A 99 -5.842 -3.526 10.744 1.00 0.00 H new ATOM 0 HB ILE A 99 -3.713 -3.802 9.427 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -3.628 -1.178 10.915 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -4.007 -2.663 11.765 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -2.769 -1.822 8.308 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -4.280 -2.357 7.534 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -4.283 -0.936 8.605 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -1.622 -2.143 11.930 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -1.871 -3.651 11.018 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -1.486 -2.143 10.155 1.00 0.00 H new ATOM 1521 N GLN A 100 -6.363 -1.073 11.157 1.00 0.00 N ATOM 1522 CA GLN A 100 -6.942 0.244 11.397 1.00 0.00 C ATOM 1523 C GLN A 100 -5.855 1.266 11.713 1.00 0.00 C ATOM 1524 O GLN A 100 -5.180 1.172 12.738 1.00 0.00 O ATOM 1525 CB GLN A 100 -7.949 0.179 12.546 1.00 0.00 C ATOM 1526 CG GLN A 100 -9.234 -0.550 12.189 1.00 0.00 C ATOM 1527 CD GLN A 100 -9.951 -1.100 13.406 1.00 0.00 C ATOM 1528 OE1 GLN A 100 -9.489 -0.942 14.537 1.00 0.00 O ATOM 1529 NE2 GLN A 100 -11.086 -1.751 13.181 1.00 0.00 N ATOM 0 H GLN A 100 -6.031 -1.548 11.997 1.00 0.00 H new ATOM 0 HA GLN A 100 -7.458 0.559 10.490 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -7.484 -0.318 13.398 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -8.192 1.193 12.862 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -9.898 0.132 11.658 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -9.005 -1.368 11.506 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -11.432 -1.858 12.227 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -11.612 -2.144 13.962 1.00 0.00 H new ATOM 1538 N GLY A 101 -5.692 2.243 10.826 1.00 0.00 N ATOM 1539 CA GLY A 101 -4.685 3.268 11.029 1.00 0.00 C ATOM 1540 C GLY A 101 -5.272 4.666 11.023 1.00 0.00 C ATOM 1541 O GLY A 101 -5.854 5.100 10.028 1.00 0.00 O ATOM 0 H GLY A 101 -6.239 2.343 9.971 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -4.180 3.093 11.979 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -3.930 3.191 10.247 1.00 0.00 H new ATOM 1545 N THR A 102 -5.122 5.374 12.139 1.00 0.00 N ATOM 1546 CA THR A 102 -5.645 6.729 12.260 1.00 0.00 C ATOM 1547 C THR A 102 -4.518 7.756 12.245 1.00 0.00 C ATOM 1548 O THR A 102 -3.396 7.466 12.661 1.00 0.00 O ATOM 1549 CB THR A 102 -6.465 6.902 13.552 1.00 0.00 C ATOM 1550 OG1 THR A 102 -5.663 6.565 14.690 1.00 0.00 O ATOM 1551 CG2 THR A 102 -7.709 6.027 13.525 1.00 0.00 C ATOM 0 H THR A 102 -4.643 5.031 12.971 1.00 0.00 H new ATOM 0 HA THR A 102 -6.296 6.895 11.401 1.00 0.00 H new ATOM 0 HB THR A 102 -6.775 7.945 13.622 1.00 0.00 H new ATOM 0 HG1 THR A 102 -6.191 6.679 15.508 1.00 0.00 H new ATOM 0 HG21 THR A 102 -8.272 6.166 14.448 1.00 0.00 H new ATOM 0 HG22 THR A 102 -8.331 6.306 12.675 1.00 0.00 H new ATOM 0 HG23 THR A 102 -7.416 4.981 13.433 1.00 0.00 H new ATOM 1559 N ALA A 103 -4.824 8.957 11.765 1.00 0.00 N ATOM 1560 CA ALA A 103 -3.837 10.027 11.699 1.00 0.00 C ATOM 1561 C ALA A 103 -4.512 11.390 11.591 1.00 0.00 C ATOM 1562 O ALA A 103 -5.574 11.521 10.982 1.00 0.00 O ATOM 1563 CB ALA A 103 -2.897 9.807 10.523 1.00 0.00 C ATOM 0 H ALA A 103 -5.748 9.213 11.416 1.00 0.00 H new ATOM 0 HA ALA A 103 -3.257 10.010 12.622 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -2.165 10.614 10.486 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -2.381 8.854 10.643 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -3.470 9.795 9.596 1.00 0.00 H new ATOM 1569 N ARG A 104 -3.889 12.403 12.187 1.00 0.00 N ATOM 1570 CA ARG A 104 -4.432 13.755 12.159 1.00 0.00 C ATOM 1571 C ARG A 104 -3.694 14.616 11.137 1.00 0.00 C ATOM 1572 O ARG A 104 -2.491 14.457 10.928 1.00 0.00 O ATOM 1573 CB ARG A 104 -4.335 14.395 13.545 1.00 0.00 C ATOM 1574 CG ARG A 104 -5.279 15.570 13.741 1.00 0.00 C ATOM 1575 CD ARG A 104 -6.601 15.128 14.348 1.00 0.00 C ATOM 1576 NE ARG A 104 -6.479 14.842 15.775 1.00 0.00 N ATOM 1577 CZ ARG A 104 -7.498 14.900 16.626 1.00 0.00 C ATOM 1578 NH1 ARG A 104 -8.707 15.232 16.195 1.00 0.00 N ATOM 1579 NH2 ARG A 104 -7.308 14.626 17.910 1.00 0.00 N ATOM 0 H ARG A 104 -3.009 12.312 12.694 1.00 0.00 H new ATOM 0 HA ARG A 104 -5.480 13.693 11.867 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -4.548 13.639 14.301 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -3.311 14.731 13.710 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -4.810 16.311 14.388 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -5.462 16.055 12.782 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -7.348 15.907 14.197 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -6.959 14.239 13.829 1.00 0.00 H new ATOM 0 HE ARG A 104 -5.562 14.584 16.138 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -8.856 15.444 15.208 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -9.488 15.276 16.850 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -6.379 14.371 18.245 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -8.091 14.671 18.562 1.00 0.00 H new ATOM 1593 N THR A 105 -4.424 15.528 10.502 1.00 0.00 N ATOM 1594 CA THR A 105 -3.840 16.412 9.501 1.00 0.00 C ATOM 1595 C THR A 105 -3.300 17.686 10.141 1.00 0.00 C ATOM 1596 O THR A 105 -3.585 17.978 11.303 1.00 0.00 O ATOM 1597 CB THR A 105 -4.868 16.791 8.418 1.00 0.00 C ATOM 1598 OG1 THR A 105 -6.140 17.056 9.021 1.00 0.00 O ATOM 1599 CG2 THR A 105 -5.010 15.676 7.393 1.00 0.00 C ATOM 0 H THR A 105 -5.421 15.674 10.663 1.00 0.00 H new ATOM 0 HA THR A 105 -3.019 15.865 9.037 1.00 0.00 H new ATOM 0 HB THR A 105 -4.513 17.688 7.910 1.00 0.00 H new ATOM 0 HG1 THR A 105 -6.700 17.561 8.395 1.00 0.00 H new ATOM 0 HG21 THR A 105 -5.741 15.966 6.638 1.00 0.00 H new ATOM 0 HG22 THR A 105 -4.047 15.496 6.915 1.00 0.00 H new ATOM 0 HG23 THR A 105 -5.344 14.765 7.890 1.00 0.00 H new ATOM 1607 N LEU A 106 -2.520 18.442 9.376 1.00 0.00 N ATOM 1608 CA LEU A 106 -1.941 19.687 9.868 1.00 0.00 C ATOM 1609 C LEU A 106 -2.875 20.863 9.607 1.00 0.00 C ATOM 1610 O LEU A 106 -3.488 20.958 8.543 1.00 0.00 O ATOM 1611 CB LEU A 106 -0.586 19.939 9.204 1.00 0.00 C ATOM 1612 CG LEU A 106 0.521 18.936 9.534 1.00 0.00 C ATOM 1613 CD1 LEU A 106 1.808 19.305 8.813 1.00 0.00 C ATOM 1614 CD2 LEU A 106 0.750 18.871 11.037 1.00 0.00 C ATOM 0 H LEU A 106 -2.274 18.214 8.413 1.00 0.00 H new ATOM 0 HA LEU A 106 -1.799 19.593 10.945 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -0.730 19.949 8.124 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -0.244 20.934 9.489 1.00 0.00 H new ATOM 0 HG LEU A 106 0.206 17.950 9.191 1.00 0.00 H new ATOM 0 HD11 LEU A 106 2.584 18.580 9.060 1.00 0.00 H new ATOM 0 HD12 LEU A 106 1.636 19.300 7.737 1.00 0.00 H new ATOM 0 HD13 LEU A 106 2.128 20.299 9.125 1.00 0.00 H new ATOM 0 HD21 LEU A 106 1.541 18.153 11.254 1.00 0.00 H new ATOM 0 HD22 LEU A 106 1.043 19.855 11.403 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -0.170 18.559 11.532 1.00 0.00 H new ATOM 1626 N SER A 107 -2.977 21.760 10.583 1.00 0.00 N ATOM 1627 CA SER A 107 -3.838 22.930 10.459 1.00 0.00 C ATOM 1628 C SER A 107 -3.316 23.877 9.382 1.00 0.00 C ATOM 1629 O SER A 107 -4.086 24.589 8.739 1.00 0.00 O ATOM 1630 CB SER A 107 -3.931 23.665 11.798 1.00 0.00 C ATOM 1631 OG SER A 107 -4.621 22.886 12.760 1.00 0.00 O ATOM 0 H SER A 107 -2.474 21.699 11.468 1.00 0.00 H new ATOM 0 HA SER A 107 -4.832 22.590 10.169 1.00 0.00 H new ATOM 0 HB2 SER A 107 -2.929 23.894 12.161 1.00 0.00 H new ATOM 0 HB3 SER A 107 -4.445 24.616 11.659 1.00 0.00 H new ATOM 0 HG SER A 107 -4.666 23.377 13.607 1.00 0.00 H new