USER MOD reduce.3.24.130724 H: found=0, std=0, add=675, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 676 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 14 LYS NZ :NH3+ -138:sc= 0.591 (180deg=-0.428) USER MOD Set 1.2: A 100 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 80 ASN : amide:sc= -0.104 K(o=-0.29,f=-4.7!) USER MOD Set 2.2: A 83 MET CE :methyl 150:sc= -0.185 (180deg=-0.919) USER MOD Set 3.1: A 23 LYS NZ :NH3+ -149:sc= -1.75 (180deg=-0.921) USER MOD Set 3.2: A 52 LYS NZ :NH3+ -170:sc= -6.63! (180deg=-5.71!) USER MOD Set 4.1: A 34 SER OG : rot 180:sc= -0.872 USER MOD Set 4.2: A 50 SER OG : rot 180:sc= 0 USER MOD Set 5.1: A 20 HIS : no HD1:sc= -1.17 K(o=-1.5,f=-2.1!) USER MOD Set 5.2: A 60 LYS NZ :NH3+ -119:sc= -0.373 (180deg=-3.55!) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0.0368 USER MOD Single : A 17 GLN : amide:sc= -0.121 K(o=-0.12,f=-2.1!) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 14:sc= 0.574 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 TYR OH : rot 142:sc= 1.19 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= -0.453 K(o=-0.45,f=-1.6!) USER MOD Single : A 54 THR OG1 : rot -67:sc= 1.03 USER MOD Single : A 58 SER OG : rot 164:sc= 0.481 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0331) USER MOD Single : A 72 ASN : amide:sc= -1.2 K(o=-1.2,f=0) USER MOD Single : A 73 ASN : amide:sc= -1.15 X(o=-1.1,f=-0.93) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 SER OG : rot -52:sc= 0.0903 USER MOD Single : A 90 GLN : amide:sc= -0.223 K(o=-0.22,f=-1.9) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 159 N LYS A 14 -18.695 -1.734 -12.286 1.00 0.00 N ATOM 160 CA LYS A 14 -17.381 -1.112 -12.395 1.00 0.00 C ATOM 161 C LYS A 14 -16.438 -1.976 -13.226 1.00 0.00 C ATOM 162 O LYS A 14 -16.755 -3.119 -13.556 1.00 0.00 O ATOM 163 CB LYS A 14 -16.786 -0.882 -11.004 1.00 0.00 C ATOM 164 CG LYS A 14 -17.407 0.290 -10.263 1.00 0.00 C ATOM 165 CD LYS A 14 -16.466 0.842 -9.205 1.00 0.00 C ATOM 166 CE LYS A 14 -16.647 0.131 -7.873 1.00 0.00 C ATOM 167 NZ LYS A 14 -17.989 0.393 -7.282 1.00 0.00 N ATOM 0 HA LYS A 14 -17.502 -0.151 -12.895 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -16.914 -1.786 -10.409 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -15.713 -0.713 -11.100 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -17.660 1.078 -10.973 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -18.338 -0.027 -9.793 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -15.435 0.732 -9.540 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -16.647 1.909 -9.077 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -16.515 -0.942 -8.013 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -15.874 0.459 -7.178 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -17.892 0.560 -6.260 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -18.409 1.232 -7.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -18.605 -0.430 -7.441 1.00 0.00 H new ATOM 181 N VAL A 15 -15.276 -1.423 -13.559 1.00 0.00 N ATOM 182 CA VAL A 15 -14.285 -2.144 -14.350 1.00 0.00 C ATOM 183 C VAL A 15 -12.879 -1.918 -13.807 1.00 0.00 C ATOM 184 O VAL A 15 -12.662 -1.060 -12.951 1.00 0.00 O ATOM 185 CB VAL A 15 -14.328 -1.717 -15.829 1.00 0.00 C ATOM 186 CG1 VAL A 15 -15.719 -1.929 -16.406 1.00 0.00 C ATOM 187 CG2 VAL A 15 -13.896 -0.266 -15.976 1.00 0.00 C ATOM 0 H VAL A 15 -14.998 -0.478 -13.294 1.00 0.00 H new ATOM 0 HA VAL A 15 -14.533 -3.203 -14.279 1.00 0.00 H new ATOM 0 HB VAL A 15 -13.630 -2.339 -16.390 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -15.730 -1.622 -17.452 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -15.986 -2.984 -16.335 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -16.440 -1.334 -15.845 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -13.932 0.020 -17.027 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -14.568 0.373 -15.403 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -12.878 -0.150 -15.603 1.00 0.00 H new ATOM 197 N THR A 16 -11.923 -2.693 -14.311 1.00 0.00 N ATOM 198 CA THR A 16 -10.537 -2.578 -13.877 1.00 0.00 C ATOM 199 C THR A 16 -9.829 -1.436 -14.596 1.00 0.00 C ATOM 200 O THR A 16 -9.913 -1.313 -15.818 1.00 0.00 O ATOM 201 CB THR A 16 -9.760 -3.885 -14.125 1.00 0.00 C ATOM 202 OG1 THR A 16 -10.144 -4.452 -15.383 1.00 0.00 O ATOM 203 CG2 THR A 16 -10.020 -4.888 -13.011 1.00 0.00 C ATOM 0 H THR A 16 -12.084 -3.408 -15.021 1.00 0.00 H new ATOM 0 HA THR A 16 -10.557 -2.373 -12.807 1.00 0.00 H new ATOM 0 HB THR A 16 -8.695 -3.652 -14.142 1.00 0.00 H new ATOM 0 HG1 THR A 16 -9.644 -5.281 -15.534 1.00 0.00 H new ATOM 0 HG21 THR A 16 -9.461 -5.803 -13.207 1.00 0.00 H new ATOM 0 HG22 THR A 16 -9.700 -4.465 -12.059 1.00 0.00 H new ATOM 0 HG23 THR A 16 -11.085 -5.116 -12.968 1.00 0.00 H new ATOM 211 N GLN A 17 -9.131 -0.603 -13.830 1.00 0.00 N ATOM 212 CA GLN A 17 -8.408 0.530 -14.396 1.00 0.00 C ATOM 213 C GLN A 17 -6.963 0.552 -13.908 1.00 0.00 C ATOM 214 O GLN A 17 -6.697 0.388 -12.717 1.00 0.00 O ATOM 215 CB GLN A 17 -9.104 1.841 -14.027 1.00 0.00 C ATOM 216 CG GLN A 17 -8.328 3.080 -14.446 1.00 0.00 C ATOM 217 CD GLN A 17 -8.671 4.295 -13.606 1.00 0.00 C ATOM 218 OE1 GLN A 17 -9.048 4.171 -12.440 1.00 0.00 O ATOM 219 NE2 GLN A 17 -8.540 5.478 -14.194 1.00 0.00 N ATOM 0 H GLN A 17 -9.051 -0.691 -12.817 1.00 0.00 H new ATOM 0 HA GLN A 17 -8.404 0.422 -15.481 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -10.089 1.864 -14.494 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -9.262 1.868 -12.949 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -7.260 2.879 -14.368 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -8.536 3.297 -15.494 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -8.224 5.534 -15.162 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -8.755 6.331 -13.677 1.00 0.00 H new ATOM 228 N SER A 18 -6.033 0.756 -14.836 1.00 0.00 N ATOM 229 CA SER A 18 -4.615 0.795 -14.500 1.00 0.00 C ATOM 230 C SER A 18 -4.156 2.228 -14.249 1.00 0.00 C ATOM 231 O SER A 18 -4.253 3.086 -15.128 1.00 0.00 O ATOM 232 CB SER A 18 -3.786 0.172 -15.625 1.00 0.00 C ATOM 233 OG SER A 18 -2.429 0.031 -15.240 1.00 0.00 O ATOM 0 H SER A 18 -6.236 0.897 -15.826 1.00 0.00 H new ATOM 0 HA SER A 18 -4.467 0.219 -13.587 1.00 0.00 H new ATOM 0 HB2 SER A 18 -4.196 -0.803 -15.886 1.00 0.00 H new ATOM 0 HB3 SER A 18 -3.851 0.795 -16.517 1.00 0.00 H new ATOM 0 HG SER A 18 -1.920 -0.371 -15.975 1.00 0.00 H new ATOM 239 N ILE A 19 -3.656 2.480 -13.044 1.00 0.00 N ATOM 240 CA ILE A 19 -3.180 3.808 -12.677 1.00 0.00 C ATOM 241 C ILE A 19 -1.661 3.832 -12.546 1.00 0.00 C ATOM 242 O ILE A 19 -1.105 3.350 -11.559 1.00 0.00 O ATOM 243 CB ILE A 19 -3.806 4.283 -11.352 1.00 0.00 C ATOM 244 CG1 ILE A 19 -5.331 4.333 -11.472 1.00 0.00 C ATOM 245 CG2 ILE A 19 -3.255 5.648 -10.966 1.00 0.00 C ATOM 246 CD1 ILE A 19 -6.004 3.016 -11.154 1.00 0.00 C ATOM 0 H ILE A 19 -3.570 1.782 -12.305 1.00 0.00 H new ATOM 0 HA ILE A 19 -3.483 4.484 -13.477 1.00 0.00 H new ATOM 0 HB ILE A 19 -3.545 3.572 -10.568 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -5.716 5.100 -10.800 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -5.598 4.633 -12.485 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -3.707 5.971 -10.028 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -2.174 5.583 -10.845 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -3.490 6.370 -11.749 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -7.083 3.124 -11.259 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -5.647 2.250 -11.842 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -5.767 2.724 -10.131 1.00 0.00 H new ATOM 258 N HIS A 20 -0.995 4.397 -13.548 1.00 0.00 N ATOM 259 CA HIS A 20 0.461 4.486 -13.544 1.00 0.00 C ATOM 260 C HIS A 20 0.919 5.863 -13.073 1.00 0.00 C ATOM 261 O HIS A 20 0.832 6.843 -13.814 1.00 0.00 O ATOM 262 CB HIS A 20 1.014 4.201 -14.941 1.00 0.00 C ATOM 263 CG HIS A 20 0.750 5.299 -15.925 1.00 0.00 C ATOM 264 ND1 HIS A 20 1.697 6.235 -16.280 1.00 0.00 N ATOM 265 CD2 HIS A 20 -0.364 5.605 -16.631 1.00 0.00 C ATOM 266 CE1 HIS A 20 1.178 7.071 -17.161 1.00 0.00 C ATOM 267 NE2 HIS A 20 -0.072 6.711 -17.392 1.00 0.00 N ATOM 0 H HIS A 20 -1.440 4.800 -14.373 1.00 0.00 H new ATOM 0 HA HIS A 20 0.845 3.738 -12.850 1.00 0.00 H new ATOM 0 HB2 HIS A 20 2.089 4.038 -14.871 1.00 0.00 H new ATOM 0 HB3 HIS A 20 0.575 3.276 -15.315 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -1.306 5.078 -16.601 1.00 0.00 H new ATOM 0 HE1 HIS A 20 1.689 7.907 -17.615 1.00 0.00 H new ATOM 0 HE2 HIS A 20 -0.715 7.178 -18.031 1.00 0.00 H new ATOM 276 N ILE A 21 1.407 5.929 -11.839 1.00 0.00 N ATOM 277 CA ILE A 21 1.879 7.186 -11.271 1.00 0.00 C ATOM 278 C ILE A 21 3.391 7.321 -11.417 1.00 0.00 C ATOM 279 O ILE A 21 4.115 6.327 -11.418 1.00 0.00 O ATOM 280 CB ILE A 21 1.505 7.306 -9.782 1.00 0.00 C ATOM 281 CG1 ILE A 21 0.065 6.842 -9.556 1.00 0.00 C ATOM 282 CG2 ILE A 21 1.687 8.739 -9.304 1.00 0.00 C ATOM 283 CD1 ILE A 21 -0.214 6.408 -8.134 1.00 0.00 C ATOM 0 H ILE A 21 1.486 5.127 -11.213 1.00 0.00 H new ATOM 0 HA ILE A 21 1.390 7.987 -11.825 1.00 0.00 H new ATOM 0 HB ILE A 21 2.168 6.664 -9.203 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -0.615 7.652 -9.820 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -0.151 6.013 -10.229 1.00 0.00 H new ATOM 0 HG21 ILE A 21 1.419 8.808 -8.250 1.00 0.00 H new ATOM 0 HG22 ILE A 21 2.728 9.036 -9.434 1.00 0.00 H new ATOM 0 HG23 ILE A 21 1.045 9.401 -9.886 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -1.254 6.092 -8.047 1.00 0.00 H new ATOM 0 HD12 ILE A 21 0.441 5.577 -7.872 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -0.030 7.242 -7.456 1.00 0.00 H new ATOM 295 N GLU A 22 3.860 8.559 -11.538 1.00 0.00 N ATOM 296 CA GLU A 22 5.286 8.824 -11.683 1.00 0.00 C ATOM 297 C GLU A 22 5.667 10.138 -11.005 1.00 0.00 C ATOM 298 O GLU A 22 5.010 11.161 -11.195 1.00 0.00 O ATOM 299 CB GLU A 22 5.671 8.871 -13.163 1.00 0.00 C ATOM 300 CG GLU A 22 5.788 7.499 -13.805 1.00 0.00 C ATOM 301 CD GLU A 22 6.761 7.480 -14.968 1.00 0.00 C ATOM 302 OE1 GLU A 22 7.971 7.678 -14.731 1.00 0.00 O ATOM 303 OE2 GLU A 22 6.313 7.268 -16.114 1.00 0.00 O ATOM 0 H GLU A 22 3.273 9.393 -11.538 1.00 0.00 H new ATOM 0 HA GLU A 22 5.831 8.014 -11.199 1.00 0.00 H new ATOM 0 HB2 GLU A 22 4.927 9.454 -13.705 1.00 0.00 H new ATOM 0 HB3 GLU A 22 6.622 9.393 -13.266 1.00 0.00 H new ATOM 0 HG2 GLU A 22 6.110 6.777 -13.055 1.00 0.00 H new ATOM 0 HG3 GLU A 22 4.806 7.180 -14.153 1.00 0.00 H new ATOM 310 N LYS A 23 6.733 10.100 -10.213 1.00 0.00 N ATOM 311 CA LYS A 23 7.205 11.286 -9.507 1.00 0.00 C ATOM 312 C LYS A 23 8.647 11.606 -9.885 1.00 0.00 C ATOM 313 O LYS A 23 9.537 10.768 -9.742 1.00 0.00 O ATOM 314 CB LYS A 23 7.096 11.080 -7.994 1.00 0.00 C ATOM 315 CG LYS A 23 5.693 10.734 -7.527 1.00 0.00 C ATOM 316 CD LYS A 23 5.550 10.895 -6.023 1.00 0.00 C ATOM 317 CE LYS A 23 4.133 11.290 -5.636 1.00 0.00 C ATOM 318 NZ LYS A 23 3.960 12.768 -5.595 1.00 0.00 N ATOM 0 H LYS A 23 7.287 9.260 -10.044 1.00 0.00 H new ATOM 0 HA LYS A 23 6.577 12.127 -9.799 1.00 0.00 H new ATOM 0 HB2 LYS A 23 7.777 10.283 -7.694 1.00 0.00 H new ATOM 0 HB3 LYS A 23 7.425 11.987 -7.488 1.00 0.00 H new ATOM 0 HG2 LYS A 23 4.972 11.376 -8.033 1.00 0.00 H new ATOM 0 HG3 LYS A 23 5.458 9.707 -7.808 1.00 0.00 H new ATOM 0 HD2 LYS A 23 5.816 9.960 -5.529 1.00 0.00 H new ATOM 0 HD3 LYS A 23 6.249 11.653 -5.669 1.00 0.00 H new ATOM 0 HE2 LYS A 23 3.429 10.862 -6.350 1.00 0.00 H new ATOM 0 HE3 LYS A 23 3.893 10.869 -4.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 3.249 13.015 -4.877 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 4.866 13.217 -5.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 3.644 13.106 -6.526 1.00 0.00 H new ATOM 332 N SER A 24 8.871 12.825 -10.365 1.00 0.00 N ATOM 333 CA SER A 24 10.206 13.256 -10.765 1.00 0.00 C ATOM 334 C SER A 24 10.980 13.807 -9.571 1.00 0.00 C ATOM 335 O SER A 24 11.942 13.195 -9.106 1.00 0.00 O ATOM 336 CB SER A 24 10.114 14.319 -11.862 1.00 0.00 C ATOM 337 OG SER A 24 9.253 13.901 -12.906 1.00 0.00 O ATOM 0 H SER A 24 8.146 13.532 -10.486 1.00 0.00 H new ATOM 0 HA SER A 24 10.740 12.389 -11.153 1.00 0.00 H new ATOM 0 HB2 SER A 24 9.748 15.254 -11.437 1.00 0.00 H new ATOM 0 HB3 SER A 24 11.107 14.519 -12.264 1.00 0.00 H new ATOM 0 HG SER A 24 9.210 14.598 -13.593 1.00 0.00 H new ATOM 343 N ASP A 25 10.552 14.965 -9.080 1.00 0.00 N ATOM 344 CA ASP A 25 11.203 15.599 -7.940 1.00 0.00 C ATOM 345 C ASP A 25 11.615 14.559 -6.902 1.00 0.00 C ATOM 346 O ASP A 25 12.757 14.544 -6.441 1.00 0.00 O ATOM 347 CB ASP A 25 10.272 16.632 -7.304 1.00 0.00 C ATOM 348 CG ASP A 25 11.032 17.734 -6.590 1.00 0.00 C ATOM 349 OD1 ASP A 25 12.091 18.152 -7.103 1.00 0.00 O ATOM 350 OD2 ASP A 25 10.567 18.177 -5.519 1.00 0.00 O ATOM 0 H ASP A 25 9.757 15.483 -9.454 1.00 0.00 H new ATOM 0 HA ASP A 25 12.100 16.103 -8.299 1.00 0.00 H new ATOM 0 HB2 ASP A 25 9.640 17.071 -8.076 1.00 0.00 H new ATOM 0 HB3 ASP A 25 9.610 16.133 -6.596 1.00 0.00 H new ATOM 355 N THR A 26 10.676 13.691 -6.537 1.00 0.00 N ATOM 356 CA THR A 26 10.940 12.650 -5.552 1.00 0.00 C ATOM 357 C THR A 26 11.712 13.203 -4.360 1.00 0.00 C ATOM 358 O THR A 26 12.556 12.518 -3.783 1.00 0.00 O ATOM 359 CB THR A 26 11.735 11.483 -6.167 1.00 0.00 C ATOM 360 OG1 THR A 26 13.012 11.945 -6.620 1.00 0.00 O ATOM 361 CG2 THR A 26 10.973 10.862 -7.329 1.00 0.00 C ATOM 0 H THR A 26 9.726 13.689 -6.909 1.00 0.00 H new ATOM 0 HA THR A 26 9.971 12.282 -5.215 1.00 0.00 H new ATOM 0 HB THR A 26 11.876 10.723 -5.398 1.00 0.00 H new ATOM 0 HG1 THR A 26 13.192 12.831 -6.242 1.00 0.00 H new ATOM 0 HG21 THR A 26 11.554 10.040 -7.747 1.00 0.00 H new ATOM 0 HG22 THR A 26 10.014 10.485 -6.975 1.00 0.00 H new ATOM 0 HG23 THR A 26 10.805 11.616 -8.098 1.00 0.00 H new ATOM 369 N ALA A 27 11.417 14.447 -3.995 1.00 0.00 N ATOM 370 CA ALA A 27 12.083 15.091 -2.870 1.00 0.00 C ATOM 371 C ALA A 27 11.072 15.763 -1.946 1.00 0.00 C ATOM 372 O ALA A 27 11.151 15.632 -0.725 1.00 0.00 O ATOM 373 CB ALA A 27 13.101 16.105 -3.369 1.00 0.00 C ATOM 0 H ALA A 27 10.721 15.028 -4.462 1.00 0.00 H new ATOM 0 HA ALA A 27 12.603 14.322 -2.299 1.00 0.00 H new ATOM 0 HB1 ALA A 27 13.591 16.578 -2.518 1.00 0.00 H new ATOM 0 HB2 ALA A 27 13.847 15.600 -3.982 1.00 0.00 H new ATOM 0 HB3 ALA A 27 12.596 16.865 -3.965 1.00 0.00 H new ATOM 379 N ALA A 28 10.124 16.483 -2.538 1.00 0.00 N ATOM 380 CA ALA A 28 9.098 17.174 -1.767 1.00 0.00 C ATOM 381 C ALA A 28 7.709 16.640 -2.101 1.00 0.00 C ATOM 382 O ALA A 28 6.796 16.702 -1.277 1.00 0.00 O ATOM 383 CB ALA A 28 9.165 18.672 -2.024 1.00 0.00 C ATOM 0 H ALA A 28 10.046 16.603 -3.548 1.00 0.00 H new ATOM 0 HA ALA A 28 9.286 16.989 -0.709 1.00 0.00 H new ATOM 0 HB1 ALA A 28 8.393 19.176 -1.442 1.00 0.00 H new ATOM 0 HB2 ALA A 28 10.145 19.048 -1.730 1.00 0.00 H new ATOM 0 HB3 ALA A 28 9.005 18.867 -3.084 1.00 0.00 H new ATOM 389 N ASP A 29 7.556 16.117 -3.312 1.00 0.00 N ATOM 390 CA ASP A 29 6.278 15.572 -3.754 1.00 0.00 C ATOM 391 C ASP A 29 6.074 14.159 -3.215 1.00 0.00 C ATOM 392 O ASP A 29 6.912 13.279 -3.415 1.00 0.00 O ATOM 393 CB ASP A 29 6.204 15.563 -5.282 1.00 0.00 C ATOM 394 CG ASP A 29 6.023 16.953 -5.860 1.00 0.00 C ATOM 395 OD1 ASP A 29 7.018 17.705 -5.918 1.00 0.00 O ATOM 396 OD2 ASP A 29 4.886 17.289 -6.254 1.00 0.00 O ATOM 0 H ASP A 29 8.302 16.059 -4.006 1.00 0.00 H new ATOM 0 HA ASP A 29 5.485 16.209 -3.363 1.00 0.00 H new ATOM 0 HB2 ASP A 29 7.115 15.121 -5.685 1.00 0.00 H new ATOM 0 HB3 ASP A 29 5.375 14.930 -5.599 1.00 0.00 H new ATOM 401 N THR A 30 4.955 13.949 -2.528 1.00 0.00 N ATOM 402 CA THR A 30 4.642 12.645 -1.958 1.00 0.00 C ATOM 403 C THR A 30 3.254 12.178 -2.382 1.00 0.00 C ATOM 404 O THR A 30 2.336 12.985 -2.532 1.00 0.00 O ATOM 405 CB THR A 30 4.714 12.673 -0.419 1.00 0.00 C ATOM 406 OG1 THR A 30 3.647 13.470 0.106 1.00 0.00 O ATOM 407 CG2 THR A 30 6.049 13.230 0.050 1.00 0.00 C ATOM 0 H THR A 30 4.251 14.666 -2.353 1.00 0.00 H new ATOM 0 HA THR A 30 5.388 11.947 -2.337 1.00 0.00 H new ATOM 0 HB THR A 30 4.617 11.651 -0.053 1.00 0.00 H new ATOM 0 HG1 THR A 30 3.698 13.482 1.085 1.00 0.00 H new ATOM 0 HG21 THR A 30 6.076 13.240 1.140 1.00 0.00 H new ATOM 0 HG22 THR A 30 6.857 12.604 -0.328 1.00 0.00 H new ATOM 0 HG23 THR A 30 6.171 14.246 -0.325 1.00 0.00 H new ATOM 415 N TYR A 31 3.107 10.872 -2.574 1.00 0.00 N ATOM 416 CA TYR A 31 1.831 10.298 -2.983 1.00 0.00 C ATOM 417 C TYR A 31 0.718 10.706 -2.023 1.00 0.00 C ATOM 418 O TYR A 31 -0.458 10.715 -2.385 1.00 0.00 O ATOM 419 CB TYR A 31 1.931 8.774 -3.049 1.00 0.00 C ATOM 420 CG TYR A 31 2.853 8.273 -4.138 1.00 0.00 C ATOM 421 CD1 TYR A 31 2.805 8.812 -5.417 1.00 0.00 C ATOM 422 CD2 TYR A 31 3.772 7.262 -3.887 1.00 0.00 C ATOM 423 CE1 TYR A 31 3.645 8.358 -6.416 1.00 0.00 C ATOM 424 CE2 TYR A 31 4.617 6.802 -4.878 1.00 0.00 C ATOM 425 CZ TYR A 31 4.549 7.353 -6.141 1.00 0.00 C ATOM 426 OH TYR A 31 5.388 6.898 -7.132 1.00 0.00 O ATOM 0 H TYR A 31 3.856 10.191 -2.453 1.00 0.00 H new ATOM 0 HA TYR A 31 1.590 10.682 -3.974 1.00 0.00 H new ATOM 0 HB2 TYR A 31 2.282 8.400 -2.087 1.00 0.00 H new ATOM 0 HB3 TYR A 31 0.936 8.360 -3.209 1.00 0.00 H new ATOM 0 HD1 TYR A 31 2.099 9.600 -5.635 1.00 0.00 H new ATOM 0 HD2 TYR A 31 3.827 6.828 -2.900 1.00 0.00 H new ATOM 0 HE1 TYR A 31 3.594 8.787 -7.406 1.00 0.00 H new ATOM 0 HE2 TYR A 31 5.326 6.016 -4.666 1.00 0.00 H new ATOM 0 HH TYR A 31 6.270 6.707 -6.751 1.00 0.00 H new ATOM 436 N GLY A 32 1.099 11.043 -0.794 1.00 0.00 N ATOM 437 CA GLY A 32 0.123 11.448 0.200 1.00 0.00 C ATOM 438 C GLY A 32 -1.048 10.489 0.287 1.00 0.00 C ATOM 439 O GLY A 32 -2.114 10.843 0.792 1.00 0.00 O ATOM 0 H GLY A 32 2.066 11.043 -0.470 1.00 0.00 H new ATOM 0 HA2 GLY A 32 0.607 11.515 1.174 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -0.245 12.445 -0.042 1.00 0.00 H new ATOM 443 N PHE A 33 -0.851 9.271 -0.206 1.00 0.00 N ATOM 444 CA PHE A 33 -1.900 8.258 -0.185 1.00 0.00 C ATOM 445 C PHE A 33 -1.462 7.039 0.622 1.00 0.00 C ATOM 446 O PHE A 33 -0.307 6.619 0.554 1.00 0.00 O ATOM 447 CB PHE A 33 -2.261 7.837 -1.611 1.00 0.00 C ATOM 448 CG PHE A 33 -1.478 6.654 -2.103 1.00 0.00 C ATOM 449 CD1 PHE A 33 -0.099 6.620 -1.982 1.00 0.00 C ATOM 450 CD2 PHE A 33 -2.122 5.575 -2.687 1.00 0.00 C ATOM 451 CE1 PHE A 33 0.624 5.533 -2.435 1.00 0.00 C ATOM 452 CE2 PHE A 33 -1.405 4.485 -3.142 1.00 0.00 C ATOM 453 CZ PHE A 33 -0.029 4.463 -3.015 1.00 0.00 C ATOM 0 H PHE A 33 0.026 8.961 -0.625 1.00 0.00 H new ATOM 0 HA PHE A 33 -2.779 8.691 0.292 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -3.324 7.602 -1.654 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -2.093 8.679 -2.283 1.00 0.00 H new ATOM 0 HD1 PHE A 33 0.418 7.453 -1.528 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -3.197 5.586 -2.788 1.00 0.00 H new ATOM 0 HE1 PHE A 33 1.699 5.520 -2.336 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -1.919 3.651 -3.596 1.00 0.00 H new ATOM 0 HZ PHE A 33 0.534 3.612 -3.368 1.00 0.00 H new ATOM 463 N SER A 34 -2.394 6.476 1.385 1.00 0.00 N ATOM 464 CA SER A 34 -2.105 5.308 2.208 1.00 0.00 C ATOM 465 C SER A 34 -2.978 4.126 1.800 1.00 0.00 C ATOM 466 O SER A 34 -3.905 4.270 1.002 1.00 0.00 O ATOM 467 CB SER A 34 -2.326 5.633 3.687 1.00 0.00 C ATOM 468 OG SER A 34 -3.683 5.950 3.942 1.00 0.00 O ATOM 0 H SER A 34 -3.356 6.810 1.450 1.00 0.00 H new ATOM 0 HA SER A 34 -1.061 5.036 2.055 1.00 0.00 H new ATOM 0 HB2 SER A 34 -2.027 4.781 4.298 1.00 0.00 H new ATOM 0 HB3 SER A 34 -1.693 6.471 3.977 1.00 0.00 H new ATOM 0 HG SER A 34 -3.798 6.152 4.894 1.00 0.00 H new ATOM 474 N LEU A 35 -2.675 2.956 2.352 1.00 0.00 N ATOM 475 CA LEU A 35 -3.431 1.747 2.047 1.00 0.00 C ATOM 476 C LEU A 35 -3.723 0.952 3.315 1.00 0.00 C ATOM 477 O LEU A 35 -2.819 0.660 4.099 1.00 0.00 O ATOM 478 CB LEU A 35 -2.660 0.877 1.052 1.00 0.00 C ATOM 479 CG LEU A 35 -2.329 1.527 -0.292 1.00 0.00 C ATOM 480 CD1 LEU A 35 -1.205 0.774 -0.987 1.00 0.00 C ATOM 481 CD2 LEU A 35 -3.566 1.579 -1.178 1.00 0.00 C ATOM 0 H LEU A 35 -1.911 2.819 3.013 1.00 0.00 H new ATOM 0 HA LEU A 35 -4.380 2.045 1.601 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -1.727 0.564 1.521 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -3.241 -0.026 0.863 1.00 0.00 H new ATOM 0 HG LEU A 35 -1.995 2.548 -0.108 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -0.983 1.251 -1.942 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -0.314 0.788 -0.359 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -1.511 -0.258 -1.159 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -3.312 2.045 -2.130 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -3.930 0.567 -1.355 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -4.343 2.163 -0.684 1.00 0.00 H new ATOM 493 N SER A 36 -4.990 0.602 3.510 1.00 0.00 N ATOM 494 CA SER A 36 -5.402 -0.158 4.684 1.00 0.00 C ATOM 495 C SER A 36 -5.628 -1.625 4.330 1.00 0.00 C ATOM 496 O SER A 36 -6.175 -1.943 3.274 1.00 0.00 O ATOM 497 CB SER A 36 -6.679 0.436 5.281 1.00 0.00 C ATOM 498 OG SER A 36 -7.273 -0.457 6.207 1.00 0.00 O ATOM 0 H SER A 36 -5.750 0.833 2.870 1.00 0.00 H new ATOM 0 HA SER A 36 -4.603 -0.099 5.423 1.00 0.00 H new ATOM 0 HB2 SER A 36 -6.448 1.379 5.777 1.00 0.00 H new ATOM 0 HB3 SER A 36 -7.387 0.661 4.483 1.00 0.00 H new ATOM 0 HG SER A 36 -8.086 -0.053 6.575 1.00 0.00 H new ATOM 504 N SER A 37 -5.201 -2.515 5.221 1.00 0.00 N ATOM 505 CA SER A 37 -5.353 -3.948 5.002 1.00 0.00 C ATOM 506 C SER A 37 -6.559 -4.490 5.763 1.00 0.00 C ATOM 507 O SER A 37 -6.753 -4.185 6.940 1.00 0.00 O ATOM 508 CB SER A 37 -4.086 -4.688 5.437 1.00 0.00 C ATOM 509 OG SER A 37 -3.754 -4.384 6.780 1.00 0.00 O ATOM 0 H SER A 37 -4.747 -2.268 6.101 1.00 0.00 H new ATOM 0 HA SER A 37 -5.515 -4.113 3.937 1.00 0.00 H new ATOM 0 HB2 SER A 37 -4.234 -5.763 5.330 1.00 0.00 H new ATOM 0 HB3 SER A 37 -3.258 -4.413 4.783 1.00 0.00 H new ATOM 0 HG SER A 37 -2.942 -4.870 7.034 1.00 0.00 H new ATOM 515 N VAL A 38 -7.368 -5.296 5.082 1.00 0.00 N ATOM 516 CA VAL A 38 -8.555 -5.881 5.692 1.00 0.00 C ATOM 517 C VAL A 38 -8.717 -7.342 5.288 1.00 0.00 C ATOM 518 O VAL A 38 -8.867 -7.656 4.107 1.00 0.00 O ATOM 519 CB VAL A 38 -9.827 -5.107 5.301 1.00 0.00 C ATOM 520 CG1 VAL A 38 -11.052 -5.723 5.961 1.00 0.00 C ATOM 521 CG2 VAL A 38 -9.693 -3.638 5.673 1.00 0.00 C ATOM 0 H VAL A 38 -7.222 -5.558 4.107 1.00 0.00 H new ATOM 0 HA VAL A 38 -8.419 -5.819 6.772 1.00 0.00 H new ATOM 0 HB VAL A 38 -9.954 -5.174 4.220 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -11.941 -5.162 5.673 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -11.156 -6.759 5.639 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -10.937 -5.689 7.044 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -10.601 -3.106 5.389 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -9.541 -3.547 6.748 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -8.841 -3.206 5.148 1.00 0.00 H new ATOM 531 N GLU A 39 -8.687 -8.231 6.275 1.00 0.00 N ATOM 532 CA GLU A 39 -8.830 -9.660 6.021 1.00 0.00 C ATOM 533 C GLU A 39 -10.286 -10.094 6.164 1.00 0.00 C ATOM 534 O GLU A 39 -10.894 -9.926 7.221 1.00 0.00 O ATOM 535 CB GLU A 39 -7.951 -10.463 6.982 1.00 0.00 C ATOM 536 CG GLU A 39 -7.465 -11.781 6.404 1.00 0.00 C ATOM 537 CD GLU A 39 -7.255 -12.842 7.468 1.00 0.00 C ATOM 538 OE1 GLU A 39 -6.277 -12.726 8.236 1.00 0.00 O ATOM 539 OE2 GLU A 39 -8.068 -13.787 7.532 1.00 0.00 O ATOM 0 H GLU A 39 -8.565 -7.987 7.258 1.00 0.00 H new ATOM 0 HA GLU A 39 -8.508 -9.855 4.998 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -7.088 -9.859 7.263 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -8.512 -10.661 7.895 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -8.189 -12.142 5.674 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -6.529 -11.616 5.870 1.00 0.00 H new ATOM 546 N GLU A 40 -10.839 -10.653 5.091 1.00 0.00 N ATOM 547 CA GLU A 40 -12.224 -11.110 5.097 1.00 0.00 C ATOM 548 C GLU A 40 -12.317 -12.570 4.663 1.00 0.00 C ATOM 549 O GLU A 40 -11.956 -12.919 3.539 1.00 0.00 O ATOM 550 CB GLU A 40 -13.076 -10.237 4.174 1.00 0.00 C ATOM 551 CG GLU A 40 -13.204 -8.798 4.643 1.00 0.00 C ATOM 552 CD GLU A 40 -13.687 -7.867 3.548 1.00 0.00 C ATOM 553 OE1 GLU A 40 -14.682 -8.208 2.876 1.00 0.00 O ATOM 554 OE2 GLU A 40 -13.069 -6.797 3.364 1.00 0.00 O ATOM 0 H GLU A 40 -10.350 -10.800 4.208 1.00 0.00 H new ATOM 0 HA GLU A 40 -12.603 -11.027 6.116 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -12.641 -10.247 3.175 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -14.072 -10.673 4.092 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -13.897 -8.754 5.483 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -12.237 -8.452 5.009 1.00 0.00 H new ATOM 561 N ASP A 41 -12.802 -13.418 5.563 1.00 0.00 N ATOM 562 CA ASP A 41 -12.943 -14.841 5.275 1.00 0.00 C ATOM 563 C ASP A 41 -11.644 -15.413 4.715 1.00 0.00 C ATOM 564 O ASP A 41 -11.661 -16.300 3.863 1.00 0.00 O ATOM 565 CB ASP A 41 -14.085 -15.071 4.284 1.00 0.00 C ATOM 566 CG ASP A 41 -15.429 -14.643 4.839 1.00 0.00 C ATOM 567 OD1 ASP A 41 -15.708 -14.949 6.017 1.00 0.00 O ATOM 568 OD2 ASP A 41 -16.201 -14.002 4.096 1.00 0.00 O ATOM 0 H ASP A 41 -13.104 -13.145 6.498 1.00 0.00 H new ATOM 0 HA ASP A 41 -13.173 -15.355 6.208 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -13.882 -14.519 3.366 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -14.125 -16.128 4.019 1.00 0.00 H new ATOM 573 N GLY A 42 -10.519 -14.898 5.201 1.00 0.00 N ATOM 574 CA GLY A 42 -9.227 -15.369 4.737 1.00 0.00 C ATOM 575 C GLY A 42 -8.686 -14.542 3.588 1.00 0.00 C ATOM 576 O GLY A 42 -7.476 -14.493 3.364 1.00 0.00 O ATOM 0 H GLY A 42 -10.479 -14.163 5.907 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -8.517 -15.345 5.564 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -9.315 -16.409 4.422 1.00 0.00 H new ATOM 580 N ILE A 43 -9.584 -13.891 2.856 1.00 0.00 N ATOM 581 CA ILE A 43 -9.190 -13.062 1.723 1.00 0.00 C ATOM 582 C ILE A 43 -8.744 -11.678 2.183 1.00 0.00 C ATOM 583 O ILE A 43 -9.562 -10.859 2.603 1.00 0.00 O ATOM 584 CB ILE A 43 -10.341 -12.908 0.711 1.00 0.00 C ATOM 585 CG1 ILE A 43 -10.755 -14.276 0.165 1.00 0.00 C ATOM 586 CG2 ILE A 43 -9.928 -11.982 -0.423 1.00 0.00 C ATOM 587 CD1 ILE A 43 -12.180 -14.318 -0.342 1.00 0.00 C ATOM 0 H ILE A 43 -10.589 -13.922 3.027 1.00 0.00 H new ATOM 0 HA ILE A 43 -8.355 -13.567 1.237 1.00 0.00 H new ATOM 0 HB ILE A 43 -11.197 -12.467 1.221 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -10.081 -14.554 -0.645 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -10.635 -15.023 0.950 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -10.752 -11.883 -1.130 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -9.677 -11.001 -0.019 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -9.059 -12.397 -0.934 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -12.405 -15.318 -0.714 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -12.863 -14.071 0.471 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -12.301 -13.595 -1.149 1.00 0.00 H new ATOM 599 N ARG A 44 -7.443 -11.424 2.099 1.00 0.00 N ATOM 600 CA ARG A 44 -6.888 -10.139 2.507 1.00 0.00 C ATOM 601 C ARG A 44 -6.819 -9.177 1.324 1.00 0.00 C ATOM 602 O ARG A 44 -6.254 -9.501 0.280 1.00 0.00 O ATOM 603 CB ARG A 44 -5.493 -10.328 3.106 1.00 0.00 C ATOM 604 CG ARG A 44 -4.969 -9.098 3.829 1.00 0.00 C ATOM 605 CD ARG A 44 -3.448 -9.068 3.846 1.00 0.00 C ATOM 606 NE ARG A 44 -2.928 -8.329 4.993 1.00 0.00 N ATOM 607 CZ ARG A 44 -2.848 -8.835 6.219 1.00 0.00 C ATOM 608 NH1 ARG A 44 -3.252 -10.075 6.455 1.00 0.00 N ATOM 609 NH2 ARG A 44 -2.363 -8.099 7.211 1.00 0.00 N ATOM 0 H ARG A 44 -6.753 -12.091 1.752 1.00 0.00 H new ATOM 0 HA ARG A 44 -7.546 -9.712 3.264 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -5.516 -11.166 3.803 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -4.798 -10.595 2.310 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -5.346 -8.199 3.341 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -5.346 -9.088 4.852 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -3.066 -10.088 3.869 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -3.084 -8.612 2.925 1.00 0.00 H new ATOM 0 HE ARG A 44 -2.609 -7.372 4.845 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -3.625 -10.643 5.695 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -3.190 -10.461 7.397 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -2.051 -7.144 7.033 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -2.302 -8.488 8.152 1.00 0.00 H new ATOM 623 N ARG A 45 -7.398 -7.993 1.496 1.00 0.00 N ATOM 624 CA ARG A 45 -7.404 -6.985 0.442 1.00 0.00 C ATOM 625 C ARG A 45 -6.962 -5.629 0.985 1.00 0.00 C ATOM 626 O ARG A 45 -6.933 -5.413 2.197 1.00 0.00 O ATOM 627 CB ARG A 45 -8.800 -6.869 -0.174 1.00 0.00 C ATOM 628 CG ARG A 45 -9.268 -8.139 -0.864 1.00 0.00 C ATOM 629 CD ARG A 45 -10.234 -7.833 -1.998 1.00 0.00 C ATOM 630 NE ARG A 45 -11.008 -9.008 -2.390 1.00 0.00 N ATOM 631 CZ ARG A 45 -12.083 -8.954 -3.169 1.00 0.00 C ATOM 632 NH1 ARG A 45 -12.508 -7.789 -3.637 1.00 0.00 N ATOM 633 NH2 ARG A 45 -12.734 -10.067 -3.482 1.00 0.00 N ATOM 0 H ARG A 45 -7.869 -7.708 2.355 1.00 0.00 H new ATOM 0 HA ARG A 45 -6.699 -7.296 -0.329 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -9.512 -6.607 0.608 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -8.803 -6.052 -0.895 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -8.407 -8.681 -1.255 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -9.753 -8.792 -0.138 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -10.913 -7.038 -1.691 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -9.677 -7.462 -2.858 1.00 0.00 H new ATOM 0 HE ARG A 45 -10.707 -9.920 -2.047 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -12.010 -6.931 -3.399 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -13.333 -7.750 -4.235 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -12.409 -10.965 -3.124 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -13.559 -10.024 -4.080 1.00 0.00 H new ATOM 647 N LEU A 46 -6.617 -4.720 0.080 1.00 0.00 N ATOM 648 CA LEU A 46 -6.174 -3.385 0.467 1.00 0.00 C ATOM 649 C LEU A 46 -7.185 -2.329 0.031 1.00 0.00 C ATOM 650 O LEU A 46 -7.888 -2.501 -0.965 1.00 0.00 O ATOM 651 CB LEU A 46 -4.806 -3.081 -0.147 1.00 0.00 C ATOM 652 CG LEU A 46 -3.591 -3.476 0.694 1.00 0.00 C ATOM 653 CD1 LEU A 46 -3.574 -2.702 2.003 1.00 0.00 C ATOM 654 CD2 LEU A 46 -3.589 -4.974 0.958 1.00 0.00 C ATOM 0 H LEU A 46 -6.635 -4.883 -0.927 1.00 0.00 H new ATOM 0 HA LEU A 46 -6.092 -3.357 1.554 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -4.739 -3.592 -1.108 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -4.750 -2.011 -0.350 1.00 0.00 H new ATOM 0 HG LEU A 46 -2.689 -3.225 0.135 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -2.703 -2.996 2.588 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -3.527 -1.633 1.793 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -4.481 -2.921 2.567 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -2.717 -5.237 1.558 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -4.496 -5.250 1.496 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -3.552 -5.510 0.010 1.00 0.00 H new ATOM 666 N TYR A 47 -7.252 -1.236 0.783 1.00 0.00 N ATOM 667 CA TYR A 47 -8.177 -0.152 0.475 1.00 0.00 C ATOM 668 C TYR A 47 -7.555 1.203 0.798 1.00 0.00 C ATOM 669 O TYR A 47 -7.116 1.446 1.923 1.00 0.00 O ATOM 670 CB TYR A 47 -9.480 -0.327 1.257 1.00 0.00 C ATOM 671 CG TYR A 47 -10.149 -1.664 1.027 1.00 0.00 C ATOM 672 CD1 TYR A 47 -10.353 -2.149 -0.259 1.00 0.00 C ATOM 673 CD2 TYR A 47 -10.576 -2.442 2.096 1.00 0.00 C ATOM 674 CE1 TYR A 47 -10.964 -3.369 -0.473 1.00 0.00 C ATOM 675 CE2 TYR A 47 -11.187 -3.664 1.891 1.00 0.00 C ATOM 676 CZ TYR A 47 -11.379 -4.123 0.605 1.00 0.00 C ATOM 677 OH TYR A 47 -11.987 -5.339 0.396 1.00 0.00 O ATOM 0 H TYR A 47 -6.677 -1.077 1.610 1.00 0.00 H new ATOM 0 HA TYR A 47 -8.395 -0.187 -0.593 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -9.274 -0.212 2.321 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -10.171 0.468 0.978 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -10.028 -1.562 -1.105 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -10.428 -2.085 3.105 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -11.116 -3.731 -1.479 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -11.512 -4.256 2.733 1.00 0.00 H new ATOM 0 HH TYR A 47 -12.217 -5.742 1.259 1.00 0.00 H new ATOM 687 N VAL A 48 -7.522 2.085 -0.196 1.00 0.00 N ATOM 688 CA VAL A 48 -6.957 3.417 -0.019 1.00 0.00 C ATOM 689 C VAL A 48 -7.748 4.218 1.009 1.00 0.00 C ATOM 690 O VAL A 48 -8.960 4.385 0.880 1.00 0.00 O ATOM 691 CB VAL A 48 -6.927 4.195 -1.348 1.00 0.00 C ATOM 692 CG1 VAL A 48 -6.220 5.530 -1.169 1.00 0.00 C ATOM 693 CG2 VAL A 48 -6.255 3.368 -2.434 1.00 0.00 C ATOM 0 H VAL A 48 -7.880 1.901 -1.133 1.00 0.00 H new ATOM 0 HA VAL A 48 -5.936 3.283 0.338 1.00 0.00 H new ATOM 0 HB VAL A 48 -7.953 4.393 -1.657 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -6.208 6.066 -2.118 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -6.748 6.124 -0.423 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -5.196 5.358 -0.837 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -6.242 3.933 -3.366 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -5.232 3.138 -2.136 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -6.808 2.440 -2.579 1.00 0.00 H new ATOM 703 N ASN A 49 -7.053 4.711 2.029 1.00 0.00 N ATOM 704 CA ASN A 49 -7.691 5.495 3.080 1.00 0.00 C ATOM 705 C ASN A 49 -7.771 6.967 2.688 1.00 0.00 C ATOM 706 O ASN A 49 -8.855 7.546 2.626 1.00 0.00 O ATOM 707 CB ASN A 49 -6.922 5.346 4.394 1.00 0.00 C ATOM 708 CG ASN A 49 -7.278 6.426 5.398 1.00 0.00 C ATOM 709 OD1 ASN A 49 -8.393 6.948 5.395 1.00 0.00 O ATOM 710 ND2 ASN A 49 -6.329 6.766 6.263 1.00 0.00 N ATOM 0 H ASN A 49 -6.049 4.581 2.150 1.00 0.00 H new ATOM 0 HA ASN A 49 -8.705 5.118 3.216 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -7.133 4.368 4.826 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -5.852 5.381 4.191 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -6.510 7.487 6.962 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -5.419 6.306 6.229 1.00 0.00 H new ATOM 717 N SER A 50 -6.614 7.567 2.424 1.00 0.00 N ATOM 718 CA SER A 50 -6.552 8.973 2.042 1.00 0.00 C ATOM 719 C SER A 50 -5.763 9.149 0.747 1.00 0.00 C ATOM 720 O SER A 50 -4.952 8.298 0.380 1.00 0.00 O ATOM 721 CB SER A 50 -5.912 9.800 3.158 1.00 0.00 C ATOM 722 OG SER A 50 -4.586 9.370 3.416 1.00 0.00 O ATOM 0 H SER A 50 -5.708 7.101 2.468 1.00 0.00 H new ATOM 0 HA SER A 50 -7.571 9.325 1.878 1.00 0.00 H new ATOM 0 HB2 SER A 50 -5.908 10.853 2.878 1.00 0.00 H new ATOM 0 HB3 SER A 50 -6.509 9.714 4.066 1.00 0.00 H new ATOM 0 HG SER A 50 -4.199 9.916 4.132 1.00 0.00 H new ATOM 728 N VAL A 51 -6.007 10.260 0.060 1.00 0.00 N ATOM 729 CA VAL A 51 -5.320 10.550 -1.193 1.00 0.00 C ATOM 730 C VAL A 51 -5.041 12.042 -1.334 1.00 0.00 C ATOM 731 O VAL A 51 -5.899 12.876 -1.046 1.00 0.00 O ATOM 732 CB VAL A 51 -6.142 10.076 -2.407 1.00 0.00 C ATOM 733 CG1 VAL A 51 -5.498 10.543 -3.703 1.00 0.00 C ATOM 734 CG2 VAL A 51 -6.290 8.562 -2.391 1.00 0.00 C ATOM 0 H VAL A 51 -6.675 10.974 0.350 1.00 0.00 H new ATOM 0 HA VAL A 51 -4.375 10.007 -1.169 1.00 0.00 H new ATOM 0 HB VAL A 51 -7.137 10.516 -2.345 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -6.092 10.199 -4.549 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -5.449 11.632 -3.713 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -4.491 10.134 -3.777 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -6.873 8.244 -3.255 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -5.304 8.100 -2.429 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -6.799 8.256 -1.477 1.00 0.00 H new ATOM 744 N LYS A 52 -3.833 12.373 -1.780 1.00 0.00 N ATOM 745 CA LYS A 52 -3.439 13.764 -1.962 1.00 0.00 C ATOM 746 C LYS A 52 -4.431 14.499 -2.858 1.00 0.00 C ATOM 747 O LYS A 52 -4.574 14.175 -4.036 1.00 0.00 O ATOM 748 CB LYS A 52 -2.035 13.843 -2.566 1.00 0.00 C ATOM 749 CG LYS A 52 -1.854 12.977 -3.800 1.00 0.00 C ATOM 750 CD LYS A 52 -0.394 12.890 -4.211 1.00 0.00 C ATOM 751 CE LYS A 52 -0.190 11.882 -5.332 1.00 0.00 C ATOM 752 NZ LYS A 52 1.072 12.134 -6.082 1.00 0.00 N ATOM 0 H LYS A 52 -3.110 11.695 -2.022 1.00 0.00 H new ATOM 0 HA LYS A 52 -3.435 14.245 -0.984 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -1.818 14.879 -2.825 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -1.307 13.543 -1.812 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -2.238 11.976 -3.603 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -2.441 13.387 -4.622 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -0.047 13.871 -4.535 1.00 0.00 H new ATOM 0 HD3 LYS A 52 0.211 12.606 -3.350 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -0.170 10.875 -4.916 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -1.035 11.926 -6.019 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 1.093 11.540 -6.935 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 1.119 13.136 -6.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 1.887 11.902 -5.479 1.00 0.00 H new ATOM 766 N GLU A 53 -5.114 15.489 -2.291 1.00 0.00 N ATOM 767 CA GLU A 53 -6.092 16.269 -3.040 1.00 0.00 C ATOM 768 C GLU A 53 -5.511 16.734 -4.372 1.00 0.00 C ATOM 769 O GLU A 53 -5.866 16.217 -5.433 1.00 0.00 O ATOM 770 CB GLU A 53 -6.549 17.477 -2.221 1.00 0.00 C ATOM 771 CG GLU A 53 -7.462 18.421 -2.986 1.00 0.00 C ATOM 772 CD GLU A 53 -8.668 17.716 -3.576 1.00 0.00 C ATOM 773 OE1 GLU A 53 -9.566 17.328 -2.800 1.00 0.00 O ATOM 774 OE2 GLU A 53 -8.713 17.552 -4.813 1.00 0.00 O ATOM 0 H GLU A 53 -5.008 15.769 -1.316 1.00 0.00 H new ATOM 0 HA GLU A 53 -6.952 15.630 -3.241 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -7.069 17.125 -1.330 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -5.672 18.028 -1.882 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -7.800 19.214 -2.319 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -6.897 18.898 -3.787 1.00 0.00 H new ATOM 781 N THR A 54 -4.616 17.715 -4.311 1.00 0.00 N ATOM 782 CA THR A 54 -3.987 18.253 -5.511 1.00 0.00 C ATOM 783 C THR A 54 -2.680 17.531 -5.817 1.00 0.00 C ATOM 784 O THR A 54 -1.599 18.106 -5.696 1.00 0.00 O ATOM 785 CB THR A 54 -3.707 19.761 -5.371 1.00 0.00 C ATOM 786 OG1 THR A 54 -2.828 20.195 -6.414 1.00 0.00 O ATOM 787 CG2 THR A 54 -3.089 20.073 -4.017 1.00 0.00 C ATOM 0 H THR A 54 -4.310 18.154 -3.442 1.00 0.00 H new ATOM 0 HA THR A 54 -4.687 18.096 -6.332 1.00 0.00 H new ATOM 0 HB THR A 54 -4.655 20.293 -5.451 1.00 0.00 H new ATOM 0 HG1 THR A 54 -1.944 19.793 -6.285 1.00 0.00 H new ATOM 0 HG21 THR A 54 -2.900 21.144 -3.941 1.00 0.00 H new ATOM 0 HG22 THR A 54 -3.774 19.768 -3.226 1.00 0.00 H new ATOM 0 HG23 THR A 54 -2.149 19.531 -3.912 1.00 0.00 H new ATOM 795 N GLY A 55 -2.786 16.266 -6.214 1.00 0.00 N ATOM 796 CA GLY A 55 -1.604 15.487 -6.532 1.00 0.00 C ATOM 797 C GLY A 55 -1.774 14.663 -7.793 1.00 0.00 C ATOM 798 O GLY A 55 -2.578 15.004 -8.662 1.00 0.00 O ATOM 0 H GLY A 55 -3.669 15.767 -6.321 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -0.753 16.157 -6.652 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -1.374 14.825 -5.697 1.00 0.00 H new ATOM 802 N LEU A 56 -1.016 13.577 -7.895 1.00 0.00 N ATOM 803 CA LEU A 56 -1.085 12.703 -9.061 1.00 0.00 C ATOM 804 C LEU A 56 -2.131 11.610 -8.860 1.00 0.00 C ATOM 805 O LEU A 56 -3.177 11.612 -9.507 1.00 0.00 O ATOM 806 CB LEU A 56 0.282 12.073 -9.332 1.00 0.00 C ATOM 807 CG LEU A 56 1.498 12.939 -9.001 1.00 0.00 C ATOM 808 CD1 LEU A 56 2.734 12.074 -8.811 1.00 0.00 C ATOM 809 CD2 LEU A 56 1.730 13.971 -10.095 1.00 0.00 C ATOM 0 H LEU A 56 -0.347 13.281 -7.185 1.00 0.00 H new ATOM 0 HA LEU A 56 -1.377 13.306 -9.921 1.00 0.00 H new ATOM 0 HB2 LEU A 56 0.353 11.148 -8.760 1.00 0.00 H new ATOM 0 HB3 LEU A 56 0.331 11.800 -10.386 1.00 0.00 H new ATOM 0 HG LEU A 56 1.302 13.466 -8.067 1.00 0.00 H new ATOM 0 HD11 LEU A 56 3.589 12.708 -8.576 1.00 0.00 H new ATOM 0 HD12 LEU A 56 2.566 11.374 -7.993 1.00 0.00 H new ATOM 0 HD13 LEU A 56 2.934 11.519 -9.728 1.00 0.00 H new ATOM 0 HD21 LEU A 56 2.599 14.579 -9.843 1.00 0.00 H new ATOM 0 HD22 LEU A 56 1.905 13.463 -11.043 1.00 0.00 H new ATOM 0 HD23 LEU A 56 0.852 14.612 -10.183 1.00 0.00 H new ATOM 821 N ALA A 57 -1.840 10.679 -7.958 1.00 0.00 N ATOM 822 CA ALA A 57 -2.756 9.583 -7.669 1.00 0.00 C ATOM 823 C ALA A 57 -4.208 10.036 -7.782 1.00 0.00 C ATOM 824 O ALA A 57 -5.041 9.344 -8.367 1.00 0.00 O ATOM 825 CB ALA A 57 -2.484 9.018 -6.282 1.00 0.00 C ATOM 0 H ALA A 57 -0.977 10.662 -7.415 1.00 0.00 H new ATOM 0 HA ALA A 57 -2.589 8.799 -8.408 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -3.176 8.200 -6.080 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -1.460 8.647 -6.235 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -2.621 9.801 -5.537 1.00 0.00 H new ATOM 831 N SER A 58 -4.504 11.203 -7.217 1.00 0.00 N ATOM 832 CA SER A 58 -5.856 11.746 -7.250 1.00 0.00 C ATOM 833 C SER A 58 -6.327 11.945 -8.688 1.00 0.00 C ATOM 834 O SER A 58 -7.203 11.228 -9.172 1.00 0.00 O ATOM 835 CB SER A 58 -5.913 13.076 -6.495 1.00 0.00 C ATOM 836 OG SER A 58 -4.960 13.993 -7.005 1.00 0.00 O ATOM 0 H SER A 58 -3.825 11.790 -6.731 1.00 0.00 H new ATOM 0 HA SER A 58 -6.520 11.031 -6.764 1.00 0.00 H new ATOM 0 HB2 SER A 58 -6.913 13.502 -6.578 1.00 0.00 H new ATOM 0 HB3 SER A 58 -5.726 12.904 -5.435 1.00 0.00 H new ATOM 0 HG SER A 58 -5.179 14.897 -6.697 1.00 0.00 H new ATOM 842 N LYS A 59 -5.738 12.924 -9.367 1.00 0.00 N ATOM 843 CA LYS A 59 -6.094 13.218 -10.750 1.00 0.00 C ATOM 844 C LYS A 59 -6.136 11.942 -11.584 1.00 0.00 C ATOM 845 O LYS A 59 -7.051 11.740 -12.383 1.00 0.00 O ATOM 846 CB LYS A 59 -5.093 14.204 -11.356 1.00 0.00 C ATOM 847 CG LYS A 59 -3.661 13.698 -11.352 1.00 0.00 C ATOM 848 CD LYS A 59 -2.745 14.610 -12.150 1.00 0.00 C ATOM 849 CE LYS A 59 -2.178 15.725 -11.285 1.00 0.00 C ATOM 850 NZ LYS A 59 -1.597 16.823 -12.106 1.00 0.00 N ATOM 0 H LYS A 59 -5.012 13.527 -8.981 1.00 0.00 H new ATOM 0 HA LYS A 59 -7.087 13.667 -10.756 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -5.389 14.424 -12.382 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -5.139 15.142 -10.803 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -3.302 13.628 -10.325 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -3.629 12.692 -11.770 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -1.928 14.026 -12.574 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -3.297 15.041 -12.986 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -2.966 16.126 -10.647 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -1.410 15.319 -10.626 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -1.221 17.563 -11.480 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -0.828 16.446 -12.696 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -2.335 17.228 -12.716 1.00 0.00 H new ATOM 864 N LYS A 60 -5.142 11.082 -11.392 1.00 0.00 N ATOM 865 CA LYS A 60 -5.066 9.823 -12.124 1.00 0.00 C ATOM 866 C LYS A 60 -6.395 9.077 -12.063 1.00 0.00 C ATOM 867 O LYS A 60 -7.004 8.790 -13.093 1.00 0.00 O ATOM 868 CB LYS A 60 -3.950 8.945 -11.555 1.00 0.00 C ATOM 869 CG LYS A 60 -2.563 9.543 -11.717 1.00 0.00 C ATOM 870 CD LYS A 60 -2.123 9.544 -13.172 1.00 0.00 C ATOM 871 CE LYS A 60 -1.433 8.241 -13.547 1.00 0.00 C ATOM 872 NZ LYS A 60 -2.400 7.228 -14.053 1.00 0.00 N ATOM 0 H LYS A 60 -4.377 11.234 -10.735 1.00 0.00 H new ATOM 0 HA LYS A 60 -4.845 10.051 -13.167 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -4.140 8.771 -10.496 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -3.977 7.973 -12.047 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -2.559 10.563 -11.334 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -1.849 8.975 -11.120 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -2.990 9.696 -13.815 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -1.445 10.379 -13.348 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -0.679 8.436 -14.309 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -0.911 7.843 -12.677 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -2.384 6.393 -13.434 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -3.357 7.635 -14.060 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -2.136 6.948 -15.019 1.00 0.00 H new ATOM 886 N GLY A 61 -6.840 8.768 -10.849 1.00 0.00 N ATOM 887 CA GLY A 61 -8.095 8.060 -10.677 1.00 0.00 C ATOM 888 C GLY A 61 -8.281 7.544 -9.264 1.00 0.00 C ATOM 889 O GLY A 61 -9.405 7.279 -8.834 1.00 0.00 O ATOM 0 H GLY A 61 -6.354 8.995 -9.982 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -8.921 8.725 -10.929 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -8.135 7.223 -11.374 1.00 0.00 H new ATOM 893 N LEU A 62 -7.177 7.399 -8.539 1.00 0.00 N ATOM 894 CA LEU A 62 -7.223 6.909 -7.166 1.00 0.00 C ATOM 895 C LEU A 62 -8.080 7.819 -6.291 1.00 0.00 C ATOM 896 O LEU A 62 -8.182 9.021 -6.540 1.00 0.00 O ATOM 897 CB LEU A 62 -5.809 6.814 -6.590 1.00 0.00 C ATOM 898 CG LEU A 62 -5.075 5.494 -6.827 1.00 0.00 C ATOM 899 CD1 LEU A 62 -3.572 5.688 -6.701 1.00 0.00 C ATOM 900 CD2 LEU A 62 -5.561 4.431 -5.851 1.00 0.00 C ATOM 0 H LEU A 62 -6.240 7.614 -8.879 1.00 0.00 H new ATOM 0 HA LEU A 62 -7.673 5.916 -7.176 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -5.211 7.620 -7.014 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -5.864 6.988 -5.515 1.00 0.00 H new ATOM 0 HG LEU A 62 -5.293 5.156 -7.840 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -3.067 4.738 -6.873 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -3.236 6.416 -7.439 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -3.334 6.049 -5.700 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -5.028 3.498 -6.034 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -5.373 4.762 -4.830 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -6.630 4.271 -5.990 1.00 0.00 H new ATOM 912 N LYS A 63 -8.692 7.239 -5.265 1.00 0.00 N ATOM 913 CA LYS A 63 -9.538 7.997 -4.350 1.00 0.00 C ATOM 914 C LYS A 63 -9.788 7.214 -3.065 1.00 0.00 C ATOM 915 O LYS A 63 -9.882 5.987 -3.084 1.00 0.00 O ATOM 916 CB LYS A 63 -10.871 8.338 -5.020 1.00 0.00 C ATOM 917 CG LYS A 63 -11.682 9.378 -4.266 1.00 0.00 C ATOM 918 CD LYS A 63 -12.617 8.732 -3.257 1.00 0.00 C ATOM 919 CE LYS A 63 -13.711 9.692 -2.817 1.00 0.00 C ATOM 920 NZ LYS A 63 -13.153 10.904 -2.155 1.00 0.00 N ATOM 0 H LYS A 63 -8.618 6.246 -5.046 1.00 0.00 H new ATOM 0 HA LYS A 63 -9.019 8.921 -4.096 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -10.678 8.702 -6.029 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -11.463 7.428 -5.117 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -11.008 10.064 -3.752 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -12.262 9.971 -4.973 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -13.068 7.841 -3.695 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -12.046 8.406 -2.387 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -14.302 9.991 -3.683 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -14.387 9.182 -2.131 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -13.932 11.509 -1.825 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -12.568 10.618 -1.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -12.568 11.432 -2.834 1.00 0.00 H new ATOM 934 N ALA A 64 -9.896 7.931 -1.952 1.00 0.00 N ATOM 935 CA ALA A 64 -10.139 7.304 -0.659 1.00 0.00 C ATOM 936 C ALA A 64 -11.282 6.298 -0.743 1.00 0.00 C ATOM 937 O ALA A 64 -12.453 6.666 -0.657 1.00 0.00 O ATOM 938 CB ALA A 64 -10.439 8.361 0.393 1.00 0.00 C ATOM 0 H ALA A 64 -9.819 8.948 -1.920 1.00 0.00 H new ATOM 0 HA ALA A 64 -9.237 6.766 -0.369 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -10.618 7.878 1.353 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -9.590 9.038 0.481 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -11.324 8.925 0.100 1.00 0.00 H new ATOM 944 N GLY A 65 -10.935 5.026 -0.912 1.00 0.00 N ATOM 945 CA GLY A 65 -11.944 3.987 -1.006 1.00 0.00 C ATOM 946 C GLY A 65 -11.598 2.934 -2.040 1.00 0.00 C ATOM 947 O GLY A 65 -11.966 1.768 -1.896 1.00 0.00 O ATOM 0 H GLY A 65 -9.973 4.696 -0.986 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -12.062 3.511 -0.033 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -12.903 4.438 -1.259 1.00 0.00 H new ATOM 951 N ASP A 66 -10.890 3.345 -3.087 1.00 0.00 N ATOM 952 CA ASP A 66 -10.495 2.429 -4.150 1.00 0.00 C ATOM 953 C ASP A 66 -9.666 1.276 -3.593 1.00 0.00 C ATOM 954 O ASP A 66 -8.785 1.480 -2.759 1.00 0.00 O ATOM 955 CB ASP A 66 -9.701 3.173 -5.224 1.00 0.00 C ATOM 956 CG ASP A 66 -10.567 4.117 -6.035 1.00 0.00 C ATOM 957 OD1 ASP A 66 -11.477 4.739 -5.449 1.00 0.00 O ATOM 958 OD2 ASP A 66 -10.333 4.234 -7.256 1.00 0.00 O ATOM 0 H ASP A 66 -10.578 4.307 -3.222 1.00 0.00 H new ATOM 0 HA ASP A 66 -11.400 2.019 -4.598 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -8.897 3.738 -4.752 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -9.233 2.450 -5.892 1.00 0.00 H new ATOM 963 N GLU A 67 -9.955 0.066 -4.060 1.00 0.00 N ATOM 964 CA GLU A 67 -9.237 -1.120 -3.607 1.00 0.00 C ATOM 965 C GLU A 67 -8.147 -1.509 -4.602 1.00 0.00 C ATOM 966 O GLU A 67 -8.343 -1.430 -5.815 1.00 0.00 O ATOM 967 CB GLU A 67 -10.206 -2.287 -3.412 1.00 0.00 C ATOM 968 CG GLU A 67 -10.785 -2.821 -4.711 1.00 0.00 C ATOM 969 CD GLU A 67 -11.931 -1.974 -5.231 1.00 0.00 C ATOM 970 OE1 GLU A 67 -11.661 -0.970 -5.922 1.00 0.00 O ATOM 971 OE2 GLU A 67 -13.098 -2.317 -4.945 1.00 0.00 O ATOM 0 H GLU A 67 -10.681 -0.119 -4.752 1.00 0.00 H new ATOM 0 HA GLU A 67 -8.766 -0.886 -2.652 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -9.689 -3.095 -2.895 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -11.022 -1.966 -2.765 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -9.999 -2.864 -5.465 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -11.134 -3.842 -4.556 1.00 0.00 H new ATOM 978 N ILE A 68 -7.000 -1.930 -4.080 1.00 0.00 N ATOM 979 CA ILE A 68 -5.880 -2.332 -4.921 1.00 0.00 C ATOM 980 C ILE A 68 -5.891 -3.837 -5.168 1.00 0.00 C ATOM 981 O ILE A 68 -5.624 -4.628 -4.262 1.00 0.00 O ATOM 982 CB ILE A 68 -4.532 -1.936 -4.292 1.00 0.00 C ATOM 983 CG1 ILE A 68 -4.344 -0.418 -4.349 1.00 0.00 C ATOM 984 CG2 ILE A 68 -3.387 -2.644 -5.001 1.00 0.00 C ATOM 985 CD1 ILE A 68 -5.489 0.356 -3.735 1.00 0.00 C ATOM 0 H ILE A 68 -6.822 -2.001 -3.078 1.00 0.00 H new ATOM 0 HA ILE A 68 -5.995 -1.809 -5.870 1.00 0.00 H new ATOM 0 HB ILE A 68 -4.532 -2.245 -3.247 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -3.420 -0.155 -3.833 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -4.226 -0.113 -5.389 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -2.441 -2.353 -4.544 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -3.516 -3.723 -4.913 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -3.383 -2.364 -6.054 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -5.288 1.425 -3.811 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -6.412 0.122 -4.265 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -5.593 0.080 -2.686 1.00 0.00 H new ATOM 997 N LEU A 69 -6.199 -4.227 -6.400 1.00 0.00 N ATOM 998 CA LEU A 69 -6.243 -5.638 -6.768 1.00 0.00 C ATOM 999 C LEU A 69 -4.838 -6.183 -7.001 1.00 0.00 C ATOM 1000 O LEU A 69 -4.586 -7.374 -6.821 1.00 0.00 O ATOM 1001 CB LEU A 69 -7.093 -5.832 -8.024 1.00 0.00 C ATOM 1002 CG LEU A 69 -8.502 -5.238 -7.980 1.00 0.00 C ATOM 1003 CD1 LEU A 69 -8.952 -4.827 -9.373 1.00 0.00 C ATOM 1004 CD2 LEU A 69 -9.480 -6.233 -7.373 1.00 0.00 C ATOM 0 H LEU A 69 -6.422 -3.586 -7.161 1.00 0.00 H new ATOM 0 HA LEU A 69 -6.695 -6.189 -5.943 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -6.562 -5.394 -8.869 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -7.177 -6.901 -8.220 1.00 0.00 H new ATOM 0 HG LEU A 69 -8.482 -4.348 -7.351 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -9.956 -4.407 -9.322 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -8.266 -4.080 -9.771 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -8.957 -5.700 -10.026 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -10.478 -5.794 -7.349 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -9.497 -7.141 -7.976 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -9.167 -6.478 -6.358 1.00 0.00 H new ATOM 1016 N GLU A 70 -3.926 -5.303 -7.402 1.00 0.00 N ATOM 1017 CA GLU A 70 -2.545 -5.697 -7.659 1.00 0.00 C ATOM 1018 C GLU A 70 -1.620 -4.484 -7.634 1.00 0.00 C ATOM 1019 O GLU A 70 -2.050 -3.356 -7.877 1.00 0.00 O ATOM 1020 CB GLU A 70 -2.437 -6.406 -9.010 1.00 0.00 C ATOM 1021 CG GLU A 70 -2.703 -7.901 -8.936 1.00 0.00 C ATOM 1022 CD GLU A 70 -2.030 -8.669 -10.057 1.00 0.00 C ATOM 1023 OE1 GLU A 70 -1.766 -8.064 -11.117 1.00 0.00 O ATOM 1024 OE2 GLU A 70 -1.768 -9.876 -9.874 1.00 0.00 O ATOM 0 H GLU A 70 -4.118 -4.313 -7.556 1.00 0.00 H new ATOM 0 HA GLU A 70 -2.237 -6.384 -6.871 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -3.144 -5.954 -9.706 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -1.439 -6.243 -9.418 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -2.351 -8.282 -7.977 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -3.778 -8.077 -8.974 1.00 0.00 H new ATOM 1031 N ILE A 71 -0.347 -4.725 -7.337 1.00 0.00 N ATOM 1032 CA ILE A 71 0.639 -3.653 -7.280 1.00 0.00 C ATOM 1033 C ILE A 71 1.926 -4.052 -7.995 1.00 0.00 C ATOM 1034 O ILE A 71 2.728 -4.822 -7.468 1.00 0.00 O ATOM 1035 CB ILE A 71 0.971 -3.270 -5.826 1.00 0.00 C ATOM 1036 CG1 ILE A 71 -0.289 -2.792 -5.101 1.00 0.00 C ATOM 1037 CG2 ILE A 71 2.048 -2.195 -5.794 1.00 0.00 C ATOM 1038 CD1 ILE A 71 -0.137 -2.737 -3.597 1.00 0.00 C ATOM 0 H ILE A 71 0.025 -5.652 -7.132 1.00 0.00 H new ATOM 0 HA ILE A 71 0.198 -2.792 -7.782 1.00 0.00 H new ATOM 0 HB ILE A 71 1.351 -4.152 -5.311 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -0.555 -1.801 -5.468 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -1.116 -3.457 -5.350 1.00 0.00 H new ATOM 0 HG21 ILE A 71 2.272 -1.935 -4.759 1.00 0.00 H new ATOM 0 HG22 ILE A 71 2.950 -2.569 -6.277 1.00 0.00 H new ATOM 0 HG23 ILE A 71 1.694 -1.310 -6.322 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -1.068 -2.390 -3.150 1.00 0.00 H new ATOM 0 HD12 ILE A 71 0.099 -3.732 -3.219 1.00 0.00 H new ATOM 0 HD13 ILE A 71 0.668 -2.050 -3.338 1.00 0.00 H new ATOM 1050 N ASN A 72 2.117 -3.521 -9.199 1.00 0.00 N ATOM 1051 CA ASN A 72 3.307 -3.820 -9.986 1.00 0.00 C ATOM 1052 C ASN A 72 3.404 -5.314 -10.279 1.00 0.00 C ATOM 1053 O ASN A 72 4.457 -5.924 -10.102 1.00 0.00 O ATOM 1054 CB ASN A 72 4.563 -3.351 -9.249 1.00 0.00 C ATOM 1055 CG ASN A 72 4.938 -1.923 -9.597 1.00 0.00 C ATOM 1056 OD1 ASN A 72 5.478 -1.656 -10.671 1.00 0.00 O ATOM 1057 ND2 ASN A 72 4.654 -0.998 -8.688 1.00 0.00 N ATOM 0 H ASN A 72 1.463 -2.882 -9.650 1.00 0.00 H new ATOM 0 HA ASN A 72 3.229 -3.286 -10.933 1.00 0.00 H new ATOM 0 HB2 ASN A 72 4.401 -3.430 -8.174 1.00 0.00 H new ATOM 0 HB3 ASN A 72 5.394 -4.012 -9.495 1.00 0.00 H new ATOM 0 HD21 ASN A 72 4.884 -0.020 -8.866 1.00 0.00 H new ATOM 0 HD22 ASN A 72 4.206 -1.265 -7.811 1.00 0.00 H new ATOM 1064 N ASN A 73 2.297 -5.897 -10.728 1.00 0.00 N ATOM 1065 CA ASN A 73 2.257 -7.320 -11.046 1.00 0.00 C ATOM 1066 C ASN A 73 2.503 -8.163 -9.798 1.00 0.00 C ATOM 1067 O ASN A 73 3.215 -9.166 -9.845 1.00 0.00 O ATOM 1068 CB ASN A 73 3.299 -7.654 -12.115 1.00 0.00 C ATOM 1069 CG ASN A 73 3.280 -9.120 -12.502 1.00 0.00 C ATOM 1070 OD1 ASN A 73 2.293 -9.617 -13.046 1.00 0.00 O ATOM 1071 ND2 ASN A 73 4.373 -9.820 -12.223 1.00 0.00 N ATOM 0 H ASN A 73 1.416 -5.406 -10.880 1.00 0.00 H new ATOM 0 HA ASN A 73 1.264 -7.554 -11.431 1.00 0.00 H new ATOM 0 HB2 ASN A 73 3.116 -7.045 -13.000 1.00 0.00 H new ATOM 0 HB3 ASN A 73 4.291 -7.391 -11.747 1.00 0.00 H new ATOM 0 HD21 ASN A 73 4.418 -10.811 -12.460 1.00 0.00 H new ATOM 0 HD22 ASN A 73 5.167 -9.367 -11.771 1.00 0.00 H new ATOM 1078 N ARG A 74 1.908 -7.748 -8.684 1.00 0.00 N ATOM 1079 CA ARG A 74 2.062 -8.465 -7.424 1.00 0.00 C ATOM 1080 C ARG A 74 0.754 -8.471 -6.638 1.00 0.00 C ATOM 1081 O ARG A 74 0.009 -7.492 -6.646 1.00 0.00 O ATOM 1082 CB ARG A 74 3.171 -7.828 -6.584 1.00 0.00 C ATOM 1083 CG ARG A 74 4.559 -7.996 -7.180 1.00 0.00 C ATOM 1084 CD ARG A 74 5.226 -9.272 -6.691 1.00 0.00 C ATOM 1085 NE ARG A 74 5.782 -9.120 -5.349 1.00 0.00 N ATOM 1086 CZ ARG A 74 6.124 -10.144 -4.575 1.00 0.00 C ATOM 1087 NH1 ARG A 74 5.967 -11.387 -5.007 1.00 0.00 N ATOM 1088 NH2 ARG A 74 6.625 -9.924 -3.366 1.00 0.00 N ATOM 0 H ARG A 74 1.315 -6.920 -8.629 1.00 0.00 H new ATOM 0 HA ARG A 74 2.333 -9.496 -7.652 1.00 0.00 H new ATOM 0 HB2 ARG A 74 2.961 -6.765 -6.467 1.00 0.00 H new ATOM 0 HB3 ARG A 74 3.157 -8.267 -5.587 1.00 0.00 H new ATOM 0 HG2 ARG A 74 4.489 -8.015 -8.268 1.00 0.00 H new ATOM 0 HG3 ARG A 74 5.176 -7.137 -6.915 1.00 0.00 H new ATOM 0 HD2 ARG A 74 4.499 -10.084 -6.692 1.00 0.00 H new ATOM 0 HD3 ARG A 74 6.020 -9.554 -7.382 1.00 0.00 H new ATOM 0 HE ARG A 74 5.915 -8.176 -4.986 1.00 0.00 H new ATOM 0 HH11 ARG A 74 5.583 -11.559 -5.936 1.00 0.00 H new ATOM 0 HH12 ARG A 74 6.230 -12.171 -4.411 1.00 0.00 H new ATOM 0 HH21 ARG A 74 6.748 -8.968 -3.031 1.00 0.00 H new ATOM 0 HH22 ARG A 74 6.888 -10.710 -2.772 1.00 0.00 H new ATOM 1102 N ALA A 75 0.482 -9.582 -5.961 1.00 0.00 N ATOM 1103 CA ALA A 75 -0.734 -9.715 -5.169 1.00 0.00 C ATOM 1104 C ALA A 75 -0.654 -8.881 -3.895 1.00 0.00 C ATOM 1105 O ALA A 75 0.236 -9.077 -3.069 1.00 0.00 O ATOM 1106 CB ALA A 75 -0.986 -11.177 -4.831 1.00 0.00 C ATOM 0 H ALA A 75 1.088 -10.403 -5.945 1.00 0.00 H new ATOM 0 HA ALA A 75 -1.568 -9.342 -5.763 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -1.897 -11.262 -4.239 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -1.097 -11.749 -5.752 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -0.145 -11.569 -4.259 1.00 0.00 H new ATOM 1112 N ALA A 76 -1.590 -7.950 -3.743 1.00 0.00 N ATOM 1113 CA ALA A 76 -1.625 -7.087 -2.568 1.00 0.00 C ATOM 1114 C ALA A 76 -1.376 -7.885 -1.293 1.00 0.00 C ATOM 1115 O ALA A 76 -0.460 -7.582 -0.529 1.00 0.00 O ATOM 1116 CB ALA A 76 -2.960 -6.361 -2.487 1.00 0.00 C ATOM 0 H ALA A 76 -2.334 -7.774 -4.418 1.00 0.00 H new ATOM 0 HA ALA A 76 -0.828 -6.350 -2.665 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -2.973 -5.720 -1.605 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -3.098 -5.752 -3.380 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -3.767 -7.090 -2.417 1.00 0.00 H new ATOM 1122 N ASP A 77 -2.197 -8.905 -1.070 1.00 0.00 N ATOM 1123 CA ASP A 77 -2.066 -9.748 0.114 1.00 0.00 C ATOM 1124 C ASP A 77 -0.632 -10.245 0.270 1.00 0.00 C ATOM 1125 O ASP A 77 -0.107 -10.316 1.380 1.00 0.00 O ATOM 1126 CB ASP A 77 -3.025 -10.936 0.029 1.00 0.00 C ATOM 1127 CG ASP A 77 -2.761 -11.807 -1.184 1.00 0.00 C ATOM 1128 OD1 ASP A 77 -1.832 -12.639 -1.126 1.00 0.00 O ATOM 1129 OD2 ASP A 77 -3.484 -11.657 -2.191 1.00 0.00 O ATOM 0 H ASP A 77 -2.960 -9.169 -1.693 1.00 0.00 H new ATOM 0 HA ASP A 77 -2.321 -9.148 0.988 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -2.933 -11.539 0.933 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -4.051 -10.569 -0.007 1.00 0.00 H new ATOM 1134 N ALA A 78 -0.005 -10.589 -0.850 1.00 0.00 N ATOM 1135 CA ALA A 78 1.368 -11.079 -0.838 1.00 0.00 C ATOM 1136 C ALA A 78 2.331 -10.001 -0.352 1.00 0.00 C ATOM 1137 O ALA A 78 3.350 -10.299 0.272 1.00 0.00 O ATOM 1138 CB ALA A 78 1.769 -11.561 -2.224 1.00 0.00 C ATOM 0 H ALA A 78 -0.426 -10.537 -1.778 1.00 0.00 H new ATOM 0 HA ALA A 78 1.422 -11.918 -0.144 1.00 0.00 H new ATOM 0 HB1 ALA A 78 2.797 -11.924 -2.200 1.00 0.00 H new ATOM 0 HB2 ALA A 78 1.106 -12.369 -2.534 1.00 0.00 H new ATOM 0 HB3 ALA A 78 1.692 -10.736 -2.932 1.00 0.00 H new ATOM 1144 N LEU A 79 2.003 -8.747 -0.643 1.00 0.00 N ATOM 1145 CA LEU A 79 2.840 -7.623 -0.236 1.00 0.00 C ATOM 1146 C LEU A 79 2.541 -7.214 1.203 1.00 0.00 C ATOM 1147 O LEU A 79 1.389 -6.981 1.565 1.00 0.00 O ATOM 1148 CB LEU A 79 2.621 -6.433 -1.172 1.00 0.00 C ATOM 1149 CG LEU A 79 2.800 -6.712 -2.665 1.00 0.00 C ATOM 1150 CD1 LEU A 79 2.143 -5.620 -3.495 1.00 0.00 C ATOM 1151 CD2 LEU A 79 4.277 -6.832 -3.011 1.00 0.00 C ATOM 0 H LEU A 79 1.164 -8.483 -1.159 1.00 0.00 H new ATOM 0 HA LEU A 79 3.882 -7.938 -0.296 1.00 0.00 H new ATOM 0 HB2 LEU A 79 1.612 -6.052 -1.012 1.00 0.00 H new ATOM 0 HB3 LEU A 79 3.311 -5.639 -0.886 1.00 0.00 H new ATOM 0 HG LEU A 79 2.314 -7.659 -2.899 1.00 0.00 H new ATOM 0 HD11 LEU A 79 2.281 -5.836 -4.555 1.00 0.00 H new ATOM 0 HD12 LEU A 79 1.078 -5.582 -3.268 1.00 0.00 H new ATOM 0 HD13 LEU A 79 2.599 -4.659 -3.258 1.00 0.00 H new ATOM 0 HD21 LEU A 79 4.386 -7.031 -4.077 1.00 0.00 H new ATOM 0 HD22 LEU A 79 4.786 -5.901 -2.761 1.00 0.00 H new ATOM 0 HD23 LEU A 79 4.719 -7.651 -2.443 1.00 0.00 H new ATOM 1163 N ASN A 80 3.587 -7.128 2.018 1.00 0.00 N ATOM 1164 CA ASN A 80 3.437 -6.745 3.417 1.00 0.00 C ATOM 1165 C ASN A 80 4.160 -5.433 3.703 1.00 0.00 C ATOM 1166 O ASN A 80 4.825 -4.876 2.830 1.00 0.00 O ATOM 1167 CB ASN A 80 3.977 -7.848 4.330 1.00 0.00 C ATOM 1168 CG ASN A 80 5.443 -7.654 4.666 1.00 0.00 C ATOM 1169 OD1 ASN A 80 5.784 -7.008 5.657 1.00 0.00 O ATOM 1170 ND2 ASN A 80 6.318 -8.213 3.839 1.00 0.00 N ATOM 0 H ASN A 80 4.548 -7.318 1.734 1.00 0.00 H new ATOM 0 HA ASN A 80 2.375 -6.604 3.617 1.00 0.00 H new ATOM 0 HB2 ASN A 80 3.396 -7.870 5.252 1.00 0.00 H new ATOM 0 HB3 ASN A 80 3.843 -8.815 3.845 1.00 0.00 H new ATOM 0 HD21 ASN A 80 7.318 -8.116 4.013 1.00 0.00 H new ATOM 0 HD22 ASN A 80 5.990 -8.740 3.030 1.00 0.00 H new ATOM 1177 N SER A 81 4.027 -4.946 4.933 1.00 0.00 N ATOM 1178 CA SER A 81 4.665 -3.697 5.333 1.00 0.00 C ATOM 1179 C SER A 81 6.009 -3.525 4.633 1.00 0.00 C ATOM 1180 O SER A 81 6.319 -2.453 4.114 1.00 0.00 O ATOM 1181 CB SER A 81 4.860 -3.664 6.851 1.00 0.00 C ATOM 1182 OG SER A 81 5.553 -2.494 7.250 1.00 0.00 O ATOM 0 H SER A 81 3.484 -5.397 5.669 1.00 0.00 H new ATOM 0 HA SER A 81 4.014 -2.874 5.038 1.00 0.00 H new ATOM 0 HB2 SER A 81 3.890 -3.703 7.347 1.00 0.00 H new ATOM 0 HB3 SER A 81 5.416 -4.546 7.169 1.00 0.00 H new ATOM 0 HG SER A 81 5.664 -2.495 8.224 1.00 0.00 H new ATOM 1188 N SER A 82 6.805 -4.590 4.623 1.00 0.00 N ATOM 1189 CA SER A 82 8.118 -4.557 3.990 1.00 0.00 C ATOM 1190 C SER A 82 8.008 -4.119 2.533 1.00 0.00 C ATOM 1191 O SER A 82 8.429 -3.020 2.171 1.00 0.00 O ATOM 1192 CB SER A 82 8.782 -5.933 4.072 1.00 0.00 C ATOM 1193 OG SER A 82 10.162 -5.853 3.761 1.00 0.00 O ATOM 0 H SER A 82 6.563 -5.486 5.046 1.00 0.00 H new ATOM 0 HA SER A 82 8.733 -3.832 4.524 1.00 0.00 H new ATOM 0 HB2 SER A 82 8.655 -6.342 5.074 1.00 0.00 H new ATOM 0 HB3 SER A 82 8.290 -6.619 3.383 1.00 0.00 H new ATOM 0 HG SER A 82 10.563 -6.745 3.822 1.00 0.00 H new ATOM 1199 N MET A 83 7.440 -4.986 1.702 1.00 0.00 N ATOM 1200 CA MET A 83 7.273 -4.689 0.284 1.00 0.00 C ATOM 1201 C MET A 83 6.555 -3.357 0.089 1.00 0.00 C ATOM 1202 O MET A 83 7.055 -2.466 -0.599 1.00 0.00 O ATOM 1203 CB MET A 83 6.492 -5.809 -0.406 1.00 0.00 C ATOM 1204 CG MET A 83 7.327 -7.047 -0.690 1.00 0.00 C ATOM 1205 SD MET A 83 7.609 -8.047 0.784 1.00 0.00 S ATOM 1206 CE MET A 83 6.450 -9.385 0.512 1.00 0.00 C ATOM 0 H MET A 83 7.087 -5.900 1.986 1.00 0.00 H new ATOM 0 HA MET A 83 8.263 -4.617 -0.166 1.00 0.00 H new ATOM 0 HB2 MET A 83 5.644 -6.088 0.220 1.00 0.00 H new ATOM 0 HB3 MET A 83 6.085 -5.432 -1.344 1.00 0.00 H new ATOM 0 HG2 MET A 83 6.826 -7.653 -1.445 1.00 0.00 H new ATOM 0 HG3 MET A 83 8.287 -6.745 -1.109 1.00 0.00 H new ATOM 0 HE1 MET A 83 6.831 -10.296 0.975 1.00 0.00 H new ATOM 0 HE2 MET A 83 5.487 -9.128 0.954 1.00 0.00 H new ATOM 0 HE3 MET A 83 6.326 -9.547 -0.559 1.00 0.00 H new ATOM 1216 N LEU A 84 5.381 -3.229 0.697 1.00 0.00 N ATOM 1217 CA LEU A 84 4.594 -2.005 0.590 1.00 0.00 C ATOM 1218 C LEU A 84 5.474 -0.773 0.775 1.00 0.00 C ATOM 1219 O LEU A 84 5.370 0.196 0.023 1.00 0.00 O ATOM 1220 CB LEU A 84 3.471 -2.005 1.628 1.00 0.00 C ATOM 1221 CG LEU A 84 2.211 -2.786 1.255 1.00 0.00 C ATOM 1222 CD1 LEU A 84 1.312 -2.962 2.469 1.00 0.00 C ATOM 1223 CD2 LEU A 84 1.461 -2.083 0.132 1.00 0.00 C ATOM 0 H LEU A 84 4.953 -3.957 1.269 1.00 0.00 H new ATOM 0 HA LEU A 84 4.157 -1.969 -0.408 1.00 0.00 H new ATOM 0 HB2 LEU A 84 3.864 -2.413 2.559 1.00 0.00 H new ATOM 0 HB3 LEU A 84 3.188 -0.971 1.827 1.00 0.00 H new ATOM 0 HG LEU A 84 2.510 -3.774 0.904 1.00 0.00 H new ATOM 0 HD11 LEU A 84 0.420 -3.520 2.184 1.00 0.00 H new ATOM 0 HD12 LEU A 84 1.850 -3.509 3.244 1.00 0.00 H new ATOM 0 HD13 LEU A 84 1.021 -1.984 2.851 1.00 0.00 H new ATOM 0 HD21 LEU A 84 0.567 -2.653 -0.121 1.00 0.00 H new ATOM 0 HD22 LEU A 84 1.174 -1.083 0.456 1.00 0.00 H new ATOM 0 HD23 LEU A 84 2.104 -2.010 -0.745 1.00 0.00 H new ATOM 1235 N LYS A 85 6.342 -0.819 1.780 1.00 0.00 N ATOM 1236 CA LYS A 85 7.244 0.292 2.063 1.00 0.00 C ATOM 1237 C LYS A 85 8.148 0.576 0.869 1.00 0.00 C ATOM 1238 O LYS A 85 8.337 1.730 0.482 1.00 0.00 O ATOM 1239 CB LYS A 85 8.093 -0.017 3.298 1.00 0.00 C ATOM 1240 CG LYS A 85 8.995 1.131 3.718 1.00 0.00 C ATOM 1241 CD LYS A 85 10.337 1.074 3.008 1.00 0.00 C ATOM 1242 CE LYS A 85 11.283 2.150 3.519 1.00 0.00 C ATOM 1243 NZ LYS A 85 12.691 1.891 3.108 1.00 0.00 N ATOM 0 H LYS A 85 6.440 -1.613 2.412 1.00 0.00 H new ATOM 0 HA LYS A 85 6.640 1.178 2.257 1.00 0.00 H new ATOM 0 HB2 LYS A 85 7.434 -0.272 4.127 1.00 0.00 H new ATOM 0 HB3 LYS A 85 8.706 -0.895 3.097 1.00 0.00 H new ATOM 0 HG2 LYS A 85 8.505 2.079 3.497 1.00 0.00 H new ATOM 0 HG3 LYS A 85 9.151 1.097 4.796 1.00 0.00 H new ATOM 0 HD2 LYS A 85 10.787 0.092 3.156 1.00 0.00 H new ATOM 0 HD3 LYS A 85 10.188 1.198 1.935 1.00 0.00 H new ATOM 0 HE2 LYS A 85 10.967 3.122 3.140 1.00 0.00 H new ATOM 0 HE3 LYS A 85 11.225 2.198 4.606 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 13.304 2.646 3.476 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 13.002 0.975 3.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 12.751 1.870 2.070 1.00 0.00 H new ATOM 1257 N ASP A 86 8.704 -0.481 0.288 1.00 0.00 N ATOM 1258 CA ASP A 86 9.587 -0.345 -0.865 1.00 0.00 C ATOM 1259 C ASP A 86 8.845 0.271 -2.047 1.00 0.00 C ATOM 1260 O ASP A 86 9.255 1.302 -2.581 1.00 0.00 O ATOM 1261 CB ASP A 86 10.159 -1.707 -1.260 1.00 0.00 C ATOM 1262 CG ASP A 86 11.395 -1.586 -2.129 1.00 0.00 C ATOM 1263 OD1 ASP A 86 12.379 -0.961 -1.679 1.00 0.00 O ATOM 1264 OD2 ASP A 86 11.379 -2.116 -3.259 1.00 0.00 O ATOM 0 H ASP A 86 8.559 -1.442 0.597 1.00 0.00 H new ATOM 0 HA ASP A 86 10.407 0.318 -0.588 1.00 0.00 H new ATOM 0 HB2 ASP A 86 10.405 -2.269 -0.359 1.00 0.00 H new ATOM 0 HB3 ASP A 86 9.398 -2.277 -1.793 1.00 0.00 H new ATOM 1269 N PHE A 87 7.753 -0.368 -2.452 1.00 0.00 N ATOM 1270 CA PHE A 87 6.955 0.116 -3.573 1.00 0.00 C ATOM 1271 C PHE A 87 6.620 1.595 -3.404 1.00 0.00 C ATOM 1272 O PHE A 87 6.770 2.388 -4.335 1.00 0.00 O ATOM 1273 CB PHE A 87 5.666 -0.699 -3.699 1.00 0.00 C ATOM 1274 CG PHE A 87 5.801 -1.899 -4.591 1.00 0.00 C ATOM 1275 CD1 PHE A 87 6.419 -1.795 -5.827 1.00 0.00 C ATOM 1276 CD2 PHE A 87 5.309 -3.133 -4.194 1.00 0.00 C ATOM 1277 CE1 PHE A 87 6.545 -2.898 -6.650 1.00 0.00 C ATOM 1278 CE2 PHE A 87 5.433 -4.239 -5.013 1.00 0.00 C ATOM 1279 CZ PHE A 87 6.050 -4.121 -6.243 1.00 0.00 C ATOM 0 H PHE A 87 7.400 -1.222 -2.021 1.00 0.00 H new ATOM 0 HA PHE A 87 7.543 -0.004 -4.483 1.00 0.00 H new ATOM 0 HB2 PHE A 87 5.354 -1.027 -2.707 1.00 0.00 H new ATOM 0 HB3 PHE A 87 4.875 -0.056 -4.085 1.00 0.00 H new ATOM 0 HD1 PHE A 87 6.807 -0.841 -6.151 1.00 0.00 H new ATOM 0 HD2 PHE A 87 4.824 -3.231 -3.234 1.00 0.00 H new ATOM 0 HE1 PHE A 87 7.030 -2.803 -7.610 1.00 0.00 H new ATOM 0 HE2 PHE A 87 5.048 -5.195 -4.691 1.00 0.00 H new ATOM 0 HZ PHE A 87 6.145 -4.984 -6.885 1.00 0.00 H new ATOM 1289 N LEU A 88 6.166 1.960 -2.210 1.00 0.00 N ATOM 1290 CA LEU A 88 5.809 3.344 -1.917 1.00 0.00 C ATOM 1291 C LEU A 88 7.039 4.245 -1.964 1.00 0.00 C ATOM 1292 O LEU A 88 6.923 5.464 -2.090 1.00 0.00 O ATOM 1293 CB LEU A 88 5.145 3.440 -0.542 1.00 0.00 C ATOM 1294 CG LEU A 88 3.830 2.678 -0.377 1.00 0.00 C ATOM 1295 CD1 LEU A 88 3.480 2.529 1.095 1.00 0.00 C ATOM 1296 CD2 LEU A 88 2.708 3.382 -1.126 1.00 0.00 C ATOM 0 H LEU A 88 6.036 1.317 -1.429 1.00 0.00 H new ATOM 0 HA LEU A 88 5.105 3.681 -2.678 1.00 0.00 H new ATOM 0 HB2 LEU A 88 5.849 3.075 0.206 1.00 0.00 H new ATOM 0 HB3 LEU A 88 4.962 4.492 -0.322 1.00 0.00 H new ATOM 0 HG LEU A 88 3.954 1.682 -0.802 1.00 0.00 H new ATOM 0 HD11 LEU A 88 2.541 1.984 1.192 1.00 0.00 H new ATOM 0 HD12 LEU A 88 4.272 1.980 1.604 1.00 0.00 H new ATOM 0 HD13 LEU A 88 3.375 3.516 1.546 1.00 0.00 H new ATOM 0 HD21 LEU A 88 1.780 2.826 -0.997 1.00 0.00 H new ATOM 0 HD22 LEU A 88 2.584 4.391 -0.732 1.00 0.00 H new ATOM 0 HD23 LEU A 88 2.955 3.435 -2.186 1.00 0.00 H new ATOM 1308 N SER A 89 8.217 3.637 -1.865 1.00 0.00 N ATOM 1309 CA SER A 89 9.468 4.384 -1.895 1.00 0.00 C ATOM 1310 C SER A 89 10.039 4.432 -3.309 1.00 0.00 C ATOM 1311 O SER A 89 11.255 4.450 -3.498 1.00 0.00 O ATOM 1312 CB SER A 89 10.486 3.754 -0.943 1.00 0.00 C ATOM 1313 OG SER A 89 11.516 4.672 -0.617 1.00 0.00 O ATOM 0 H SER A 89 8.331 2.628 -1.763 1.00 0.00 H new ATOM 0 HA SER A 89 9.261 5.404 -1.571 1.00 0.00 H new ATOM 0 HB2 SER A 89 9.984 3.428 -0.032 1.00 0.00 H new ATOM 0 HB3 SER A 89 10.919 2.866 -1.404 1.00 0.00 H new ATOM 0 HG SER A 89 11.901 5.038 -1.441 1.00 0.00 H new ATOM 1319 N GLN A 90 9.152 4.450 -4.298 1.00 0.00 N ATOM 1320 CA GLN A 90 9.567 4.494 -5.696 1.00 0.00 C ATOM 1321 C GLN A 90 8.886 5.645 -6.430 1.00 0.00 C ATOM 1322 O GLN A 90 7.777 6.059 -6.092 1.00 0.00 O ATOM 1323 CB GLN A 90 9.242 3.169 -6.388 1.00 0.00 C ATOM 1324 CG GLN A 90 9.929 1.969 -5.757 1.00 0.00 C ATOM 1325 CD GLN A 90 11.424 2.168 -5.600 1.00 0.00 C ATOM 1326 OE1 GLN A 90 12.070 2.795 -6.441 1.00 0.00 O ATOM 1327 NE2 GLN A 90 11.983 1.633 -4.521 1.00 0.00 N ATOM 0 H GLN A 90 8.142 4.435 -4.158 1.00 0.00 H new ATOM 0 HA GLN A 90 10.645 4.656 -5.724 1.00 0.00 H new ATOM 0 HB2 GLN A 90 8.164 3.012 -6.367 1.00 0.00 H new ATOM 0 HB3 GLN A 90 9.534 3.235 -7.436 1.00 0.00 H new ATOM 0 HG2 GLN A 90 9.488 1.775 -4.779 1.00 0.00 H new ATOM 0 HG3 GLN A 90 9.746 1.087 -6.370 1.00 0.00 H new ATOM 0 HE21 GLN A 90 11.410 1.122 -3.850 1.00 0.00 H new ATOM 0 HE22 GLN A 90 12.986 1.733 -4.363 1.00 0.00 H new ATOM 1336 N PRO A 91 9.565 6.176 -7.457 1.00 0.00 N ATOM 1337 CA PRO A 91 9.045 7.286 -8.261 1.00 0.00 C ATOM 1338 C PRO A 91 7.863 6.869 -9.129 1.00 0.00 C ATOM 1339 O PRO A 91 6.913 7.631 -9.308 1.00 0.00 O ATOM 1340 CB PRO A 91 10.238 7.681 -9.134 1.00 0.00 C ATOM 1341 CG PRO A 91 11.065 6.445 -9.227 1.00 0.00 C ATOM 1342 CD PRO A 91 10.893 5.732 -7.915 1.00 0.00 C ATOM 0 HA PRO A 91 8.668 8.098 -7.639 1.00 0.00 H new ATOM 0 HB2 PRO A 91 9.914 8.016 -10.119 1.00 0.00 H new ATOM 0 HB3 PRO A 91 10.801 8.501 -8.688 1.00 0.00 H new ATOM 0 HG2 PRO A 91 10.739 5.819 -10.057 1.00 0.00 H new ATOM 0 HG3 PRO A 91 12.112 6.689 -9.404 1.00 0.00 H new ATOM 0 HD2 PRO A 91 10.935 4.650 -8.037 1.00 0.00 H new ATOM 0 HD3 PRO A 91 11.674 6.003 -7.205 1.00 0.00 H new ATOM 1350 N SER A 92 7.928 5.655 -9.666 1.00 0.00 N ATOM 1351 CA SER A 92 6.865 5.139 -10.519 1.00 0.00 C ATOM 1352 C SER A 92 6.189 3.932 -9.875 1.00 0.00 C ATOM 1353 O SER A 92 6.857 3.029 -9.369 1.00 0.00 O ATOM 1354 CB SER A 92 7.423 4.754 -11.891 1.00 0.00 C ATOM 1355 OG SER A 92 8.326 3.666 -11.786 1.00 0.00 O ATOM 0 H SER A 92 8.706 5.011 -9.525 1.00 0.00 H new ATOM 0 HA SER A 92 6.121 5.926 -10.646 1.00 0.00 H new ATOM 0 HB2 SER A 92 6.604 4.488 -12.559 1.00 0.00 H new ATOM 0 HB3 SER A 92 7.930 5.611 -12.334 1.00 0.00 H new ATOM 0 HG SER A 92 8.668 3.437 -12.676 1.00 0.00 H new ATOM 1361 N LEU A 93 4.861 3.922 -9.898 1.00 0.00 N ATOM 1362 CA LEU A 93 4.094 2.827 -9.317 1.00 0.00 C ATOM 1363 C LEU A 93 2.894 2.478 -10.192 1.00 0.00 C ATOM 1364 O LEU A 93 2.235 3.361 -10.740 1.00 0.00 O ATOM 1365 CB LEU A 93 3.623 3.198 -7.910 1.00 0.00 C ATOM 1366 CG LEU A 93 4.645 3.010 -6.788 1.00 0.00 C ATOM 1367 CD1 LEU A 93 4.102 3.551 -5.475 1.00 0.00 C ATOM 1368 CD2 LEU A 93 5.017 1.541 -6.648 1.00 0.00 C ATOM 0 H LEU A 93 4.293 4.661 -10.313 1.00 0.00 H new ATOM 0 HA LEU A 93 4.743 1.953 -9.257 1.00 0.00 H new ATOM 0 HB2 LEU A 93 3.309 4.242 -7.917 1.00 0.00 H new ATOM 0 HB3 LEU A 93 2.741 2.602 -7.675 1.00 0.00 H new ATOM 0 HG LEU A 93 5.544 3.570 -7.044 1.00 0.00 H new ATOM 0 HD11 LEU A 93 4.843 3.408 -4.688 1.00 0.00 H new ATOM 0 HD12 LEU A 93 3.886 4.614 -5.581 1.00 0.00 H new ATOM 0 HD13 LEU A 93 3.188 3.019 -5.213 1.00 0.00 H new ATOM 0 HD21 LEU A 93 5.745 1.425 -5.845 1.00 0.00 H new ATOM 0 HD22 LEU A 93 4.124 0.960 -6.415 1.00 0.00 H new ATOM 0 HD23 LEU A 93 5.448 1.184 -7.583 1.00 0.00 H new ATOM 1380 N GLY A 94 2.614 1.184 -10.316 1.00 0.00 N ATOM 1381 CA GLY A 94 1.493 0.742 -11.124 1.00 0.00 C ATOM 1382 C GLY A 94 0.436 0.025 -10.306 1.00 0.00 C ATOM 1383 O GLY A 94 0.551 -1.172 -10.042 1.00 0.00 O ATOM 0 H GLY A 94 3.144 0.434 -9.871 1.00 0.00 H new ATOM 0 HA2 GLY A 94 1.043 1.603 -11.618 1.00 0.00 H new ATOM 0 HA3 GLY A 94 1.854 0.077 -11.908 1.00 0.00 H new ATOM 1387 N LEU A 95 -0.595 0.759 -9.902 1.00 0.00 N ATOM 1388 CA LEU A 95 -1.676 0.186 -9.108 1.00 0.00 C ATOM 1389 C LEU A 95 -2.832 -0.256 -10.000 1.00 0.00 C ATOM 1390 O LEU A 95 -2.964 0.201 -11.136 1.00 0.00 O ATOM 1391 CB LEU A 95 -2.172 1.203 -8.078 1.00 0.00 C ATOM 1392 CG LEU A 95 -1.103 1.820 -7.175 1.00 0.00 C ATOM 1393 CD1 LEU A 95 -1.597 3.130 -6.582 1.00 0.00 C ATOM 1394 CD2 LEU A 95 -0.710 0.847 -6.073 1.00 0.00 C ATOM 0 H LEU A 95 -0.705 1.751 -10.111 1.00 0.00 H new ATOM 0 HA LEU A 95 -1.287 -0.690 -8.588 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -2.680 2.008 -8.608 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -2.916 0.717 -7.447 1.00 0.00 H new ATOM 0 HG LEU A 95 -0.220 2.029 -7.779 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -0.823 3.555 -5.942 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -1.827 3.829 -7.386 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -2.495 2.947 -5.992 1.00 0.00 H new ATOM 0 HD21 LEU A 95 0.052 1.302 -5.440 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -1.586 0.606 -5.471 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -0.314 -0.066 -6.518 1.00 0.00 H new ATOM 1406 N LEU A 96 -3.668 -1.147 -9.477 1.00 0.00 N ATOM 1407 CA LEU A 96 -4.815 -1.650 -10.225 1.00 0.00 C ATOM 1408 C LEU A 96 -6.084 -1.592 -9.380 1.00 0.00 C ATOM 1409 O LEU A 96 -6.329 -2.465 -8.548 1.00 0.00 O ATOM 1410 CB LEU A 96 -4.559 -3.087 -10.683 1.00 0.00 C ATOM 1411 CG LEU A 96 -5.632 -3.706 -11.580 1.00 0.00 C ATOM 1412 CD1 LEU A 96 -5.682 -2.993 -12.923 1.00 0.00 C ATOM 1413 CD2 LEU A 96 -5.371 -5.193 -11.774 1.00 0.00 C ATOM 0 H LEU A 96 -3.573 -1.536 -8.539 1.00 0.00 H new ATOM 0 HA LEU A 96 -4.954 -1.015 -11.100 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -3.609 -3.114 -11.216 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -4.446 -3.714 -9.799 1.00 0.00 H new ATOM 0 HG LEU A 96 -6.599 -3.587 -11.092 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -6.451 -3.447 -13.548 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -5.916 -1.940 -12.767 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -4.715 -3.080 -13.418 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -6.144 -5.618 -12.415 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -4.396 -5.333 -12.240 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -5.386 -5.694 -10.806 1.00 0.00 H new ATOM 1425 N VAL A 97 -6.889 -0.558 -9.601 1.00 0.00 N ATOM 1426 CA VAL A 97 -8.135 -0.387 -8.863 1.00 0.00 C ATOM 1427 C VAL A 97 -9.341 -0.492 -9.789 1.00 0.00 C ATOM 1428 O VAL A 97 -9.214 -0.368 -11.008 1.00 0.00 O ATOM 1429 CB VAL A 97 -8.175 0.971 -8.137 1.00 0.00 C ATOM 1430 CG1 VAL A 97 -7.028 1.080 -7.144 1.00 0.00 C ATOM 1431 CG2 VAL A 97 -8.133 2.113 -9.141 1.00 0.00 C ATOM 0 H VAL A 97 -6.701 0.174 -10.285 1.00 0.00 H new ATOM 0 HA VAL A 97 -8.178 -1.187 -8.124 1.00 0.00 H new ATOM 0 HB VAL A 97 -9.111 1.040 -7.583 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -7.073 2.046 -6.641 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -7.109 0.282 -6.406 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -6.079 0.990 -7.673 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -8.162 3.065 -8.611 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -7.215 2.051 -9.725 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -8.992 2.043 -9.808 1.00 0.00 H new ATOM 1441 N ARG A 98 -10.512 -0.721 -9.203 1.00 0.00 N ATOM 1442 CA ARG A 98 -11.742 -0.843 -9.976 1.00 0.00 C ATOM 1443 C ARG A 98 -12.529 0.464 -9.955 1.00 0.00 C ATOM 1444 O ARG A 98 -12.804 1.019 -8.891 1.00 0.00 O ATOM 1445 CB ARG A 98 -12.605 -1.980 -9.425 1.00 0.00 C ATOM 1446 CG ARG A 98 -13.476 -2.648 -10.477 1.00 0.00 C ATOM 1447 CD ARG A 98 -13.774 -4.095 -10.115 1.00 0.00 C ATOM 1448 NE ARG A 98 -14.554 -4.202 -8.886 1.00 0.00 N ATOM 1449 CZ ARG A 98 -15.131 -5.327 -8.477 1.00 0.00 C ATOM 1450 NH1 ARG A 98 -15.015 -6.434 -9.197 1.00 0.00 N ATOM 1451 NH2 ARG A 98 -15.825 -5.345 -7.346 1.00 0.00 N ATOM 0 H ARG A 98 -10.635 -0.826 -8.196 1.00 0.00 H new ATOM 0 HA ARG A 98 -11.473 -1.068 -11.008 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -11.957 -2.730 -8.972 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -13.243 -1.589 -8.632 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -14.411 -2.097 -10.580 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -12.975 -2.609 -11.444 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -14.318 -4.568 -10.932 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -12.837 -4.640 -9.998 1.00 0.00 H new ATOM 0 HE ARG A 98 -14.662 -3.368 -8.309 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -14.482 -6.423 -10.067 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -15.459 -7.297 -8.881 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -15.916 -4.495 -6.790 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -16.268 -6.209 -7.033 1.00 0.00 H new ATOM 1465 N THR A 99 -12.890 0.951 -11.138 1.00 0.00 N ATOM 1466 CA THR A 99 -13.644 2.193 -11.256 1.00 0.00 C ATOM 1467 C THR A 99 -14.735 2.075 -12.315 1.00 0.00 C ATOM 1468 O THR A 99 -14.627 1.275 -13.245 1.00 0.00 O ATOM 1469 CB THR A 99 -12.725 3.377 -11.612 1.00 0.00 C ATOM 1470 OG1 THR A 99 -13.390 4.614 -11.334 1.00 0.00 O ATOM 1471 CG2 THR A 99 -12.323 3.329 -13.078 1.00 0.00 C ATOM 0 H THR A 99 -12.672 0.504 -12.029 1.00 0.00 H new ATOM 0 HA THR A 99 -14.102 2.378 -10.284 1.00 0.00 H new ATOM 0 HB THR A 99 -11.824 3.305 -11.003 1.00 0.00 H new ATOM 0 HG1 THR A 99 -12.799 5.362 -11.561 1.00 0.00 H new ATOM 0 HG21 THR A 99 -11.674 4.175 -13.305 1.00 0.00 H new ATOM 0 HG22 THR A 99 -11.791 2.399 -13.279 1.00 0.00 H new ATOM 0 HG23 THR A 99 -13.215 3.378 -13.702 1.00 0.00 H new ATOM 1479 N TYR A 100 -15.783 2.877 -12.168 1.00 0.00 N ATOM 1480 CA TYR A 100 -16.895 2.862 -13.112 1.00 0.00 C ATOM 1481 C TYR A 100 -16.434 3.282 -14.504 1.00 0.00 C ATOM 1482 O TYR A 100 -15.715 4.266 -14.677 1.00 0.00 O ATOM 1483 CB TYR A 100 -18.013 3.789 -12.631 1.00 0.00 C ATOM 1484 CG TYR A 100 -18.273 3.703 -11.144 1.00 0.00 C ATOM 1485 CD1 TYR A 100 -17.578 4.507 -10.249 1.00 0.00 C ATOM 1486 CD2 TYR A 100 -19.214 2.817 -10.634 1.00 0.00 C ATOM 1487 CE1 TYR A 100 -17.812 4.431 -8.890 1.00 0.00 C ATOM 1488 CE2 TYR A 100 -19.456 2.735 -9.276 1.00 0.00 C ATOM 1489 CZ TYR A 100 -18.752 3.544 -8.408 1.00 0.00 C ATOM 1490 OH TYR A 100 -18.989 3.466 -7.055 1.00 0.00 O ATOM 0 H TYR A 100 -15.886 3.546 -11.405 1.00 0.00 H new ATOM 0 HA TYR A 100 -17.277 1.843 -13.168 1.00 0.00 H new ATOM 0 HB2 TYR A 100 -17.757 4.817 -12.888 1.00 0.00 H new ATOM 0 HB3 TYR A 100 -18.931 3.546 -13.166 1.00 0.00 H new ATOM 0 HD1 TYR A 100 -16.842 5.204 -10.623 1.00 0.00 H new ATOM 0 HD2 TYR A 100 -19.766 2.181 -11.311 1.00 0.00 H new ATOM 0 HE1 TYR A 100 -17.262 5.063 -8.208 1.00 0.00 H new ATOM 0 HE2 TYR A 100 -20.192 2.042 -8.896 1.00 0.00 H new ATOM 0 HH TYR A 100 -19.681 2.793 -6.882 1.00 0.00 H new