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 80 ASN : amide:sc= -0.33 K(o=-0.6,f=-15!) USER MOD Set 1.2: A 83 MET CE :methyl -137:sc= -0.271 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 152:sc= 0.927 (180deg=0.369) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 GLN :FLIP amide:sc= -0.667 F(o=-2.7!,f=-0.67) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 HIS : no HD1:sc= -0.442 X(o=-0.44,f=-0.7) USER MOD Single : A 23 LYS NZ :NH3+ -179:sc= -3.12 (180deg=-3.14) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 TYR OH : rot -171:sc= -1.37! USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 31:sc= 0.242 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= -1.41 K(o=-1.4,f=-7.3!) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 179:sc= 0.704 (180deg=0.704) USER MOD Single : A 54 THR OG1 : rot 66:sc= 0.0964 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ -166:sc=-0.00336 (180deg=-0.115) USER MOD Single : A 72 ASN : amide:sc= -0.135 X(o=-0.13,f=-0.42) USER MOD Single : A 73 ASN : amide:sc= -0.157 K(o=-0.16,f=-2.1!) 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 -51:sc= 0.00184 USER MOD Single : A 90 GLN : amide:sc= -0.0316 X(o=-0.032,f=-0.076) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 99 THR OG1 : rot 180:sc= -0.0978 USER MOD Single : A 100 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 159 N LYS A 14 -17.958 -4.979 -13.925 1.00 0.00 N ATOM 160 CA LYS A 14 -16.921 -3.993 -13.646 1.00 0.00 C ATOM 161 C LYS A 14 -15.767 -4.123 -14.635 1.00 0.00 C ATOM 162 O LYS A 14 -15.604 -5.157 -15.282 1.00 0.00 O ATOM 163 CB LYS A 14 -16.403 -4.159 -12.216 1.00 0.00 C ATOM 164 CG LYS A 14 -17.275 -3.485 -11.171 1.00 0.00 C ATOM 165 CD LYS A 14 -16.514 -3.252 -9.876 1.00 0.00 C ATOM 166 CE LYS A 14 -17.095 -2.086 -9.091 1.00 0.00 C ATOM 167 NZ LYS A 14 -16.462 -0.792 -9.469 1.00 0.00 N ATOM 0 HA LYS A 14 -17.359 -3.001 -13.754 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -16.331 -5.222 -11.986 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -15.395 -3.750 -12.154 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -17.637 -2.532 -11.558 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -18.151 -4.103 -10.973 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -16.546 -4.155 -9.266 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -15.465 -3.055 -10.099 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -18.169 -2.030 -9.266 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -16.955 -2.261 -8.024 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -17.137 -0.017 -9.314 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -15.616 -0.636 -8.885 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -16.190 -0.819 -10.473 1.00 0.00 H new ATOM 181 N VAL A 15 -14.967 -3.067 -14.745 1.00 0.00 N ATOM 182 CA VAL A 15 -13.826 -3.064 -15.653 1.00 0.00 C ATOM 183 C VAL A 15 -12.559 -2.602 -14.942 1.00 0.00 C ATOM 184 O VAL A 15 -12.582 -1.646 -14.166 1.00 0.00 O ATOM 185 CB VAL A 15 -14.079 -2.155 -16.870 1.00 0.00 C ATOM 186 CG1 VAL A 15 -15.124 -2.771 -17.789 1.00 0.00 C ATOM 187 CG2 VAL A 15 -14.507 -0.767 -16.418 1.00 0.00 C ATOM 0 H VAL A 15 -15.088 -2.203 -14.217 1.00 0.00 H new ATOM 0 HA VAL A 15 -13.693 -4.090 -15.997 1.00 0.00 H new ATOM 0 HB VAL A 15 -13.149 -2.059 -17.430 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -15.290 -2.115 -18.643 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -14.773 -3.742 -18.140 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -16.059 -2.899 -17.243 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -14.682 -0.138 -17.291 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -15.425 -0.841 -15.835 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -13.722 -0.326 -15.804 1.00 0.00 H new ATOM 197 N THR A 16 -11.452 -3.287 -15.212 1.00 0.00 N ATOM 198 CA THR A 16 -10.174 -2.947 -14.598 1.00 0.00 C ATOM 199 C THR A 16 -9.493 -1.805 -15.343 1.00 0.00 C ATOM 200 O THR A 16 -9.590 -1.704 -16.565 1.00 0.00 O ATOM 201 CB THR A 16 -9.227 -4.161 -14.565 1.00 0.00 C ATOM 202 OG1 THR A 16 -9.114 -4.731 -15.874 1.00 0.00 O ATOM 203 CG2 THR A 16 -9.731 -5.214 -13.590 1.00 0.00 C ATOM 0 H THR A 16 -11.415 -4.081 -15.852 1.00 0.00 H new ATOM 0 HA THR A 16 -10.387 -2.634 -13.576 1.00 0.00 H new ATOM 0 HB THR A 16 -8.247 -3.820 -14.232 1.00 0.00 H new ATOM 0 HG1 THR A 16 -8.509 -5.501 -15.844 1.00 0.00 H new ATOM 0 HG21 THR A 16 -9.046 -6.062 -13.584 1.00 0.00 H new ATOM 0 HG22 THR A 16 -9.787 -4.786 -12.589 1.00 0.00 H new ATOM 0 HG23 THR A 16 -10.721 -5.550 -13.897 1.00 0.00 H new ATOM 211 N GLN A 17 -8.802 -0.948 -14.598 1.00 0.00 N ATOM 212 CA GLN A 17 -8.104 0.188 -15.189 1.00 0.00 C ATOM 213 C GLN A 17 -6.696 0.317 -14.620 1.00 0.00 C ATOM 214 O GLN A 17 -6.514 0.443 -13.409 1.00 0.00 O ATOM 215 CB GLN A 17 -8.887 1.479 -14.944 1.00 0.00 C ATOM 216 CG GLN A 17 -9.012 1.844 -13.474 1.00 0.00 C ATOM 217 CD GLN A 17 -9.922 3.035 -13.244 1.00 0.00 C ATOM 218 OE1 GLN A 17 -10.373 3.206 -12.006 1.00 0.00 O flip ATOM 219 NE2 GLN A 17 -10.217 3.793 -14.168 1.00 0.00 N flip ATOM 0 H GLN A 17 -8.711 -1.019 -13.585 1.00 0.00 H new ATOM 0 HA GLN A 17 -8.028 0.017 -16.263 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -8.398 2.297 -15.473 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -9.885 1.376 -15.370 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -9.396 0.986 -12.922 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -8.023 2.064 -13.073 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -9.848 3.624 -15.104 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -10.831 4.590 -13.998 1.00 0.00 H new ATOM 228 N SER A 18 -5.701 0.286 -15.501 1.00 0.00 N ATOM 229 CA SER A 18 -4.308 0.395 -15.085 1.00 0.00 C ATOM 230 C SER A 18 -3.912 1.856 -14.892 1.00 0.00 C ATOM 231 O SER A 18 -3.787 2.610 -15.858 1.00 0.00 O ATOM 232 CB SER A 18 -3.391 -0.261 -16.120 1.00 0.00 C ATOM 233 OG SER A 18 -3.619 -1.658 -16.190 1.00 0.00 O ATOM 0 H SER A 18 -5.834 0.186 -16.507 1.00 0.00 H new ATOM 0 HA SER A 18 -4.198 -0.123 -14.132 1.00 0.00 H new ATOM 0 HB2 SER A 18 -3.562 0.188 -17.098 1.00 0.00 H new ATOM 0 HB3 SER A 18 -2.350 -0.072 -15.860 1.00 0.00 H new ATOM 0 HG SER A 18 -3.022 -2.054 -16.859 1.00 0.00 H new ATOM 239 N ILE A 19 -3.715 2.248 -13.638 1.00 0.00 N ATOM 240 CA ILE A 19 -3.333 3.618 -13.318 1.00 0.00 C ATOM 241 C ILE A 19 -1.874 3.693 -12.880 1.00 0.00 C ATOM 242 O ILE A 19 -1.521 3.261 -11.782 1.00 0.00 O ATOM 243 CB ILE A 19 -4.222 4.205 -12.206 1.00 0.00 C ATOM 244 CG1 ILE A 19 -5.654 4.390 -12.711 1.00 0.00 C ATOM 245 CG2 ILE A 19 -3.652 5.528 -11.716 1.00 0.00 C ATOM 246 CD1 ILE A 19 -6.672 4.540 -11.603 1.00 0.00 C ATOM 0 H ILE A 19 -3.813 1.637 -12.827 1.00 0.00 H new ATOM 0 HA ILE A 19 -3.468 4.204 -14.227 1.00 0.00 H new ATOM 0 HB ILE A 19 -4.240 3.507 -11.369 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -5.694 5.271 -13.351 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -5.926 3.534 -13.329 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -4.291 5.931 -10.930 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -2.649 5.368 -11.321 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -3.607 6.234 -12.545 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -7.664 4.667 -12.035 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -6.661 3.649 -10.976 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -6.425 5.412 -10.998 1.00 0.00 H new ATOM 258 N HIS A 20 -1.030 4.246 -13.745 1.00 0.00 N ATOM 259 CA HIS A 20 0.392 4.380 -13.447 1.00 0.00 C ATOM 260 C HIS A 20 0.719 5.798 -12.987 1.00 0.00 C ATOM 261 O HIS A 20 0.464 6.767 -13.702 1.00 0.00 O ATOM 262 CB HIS A 20 1.228 4.025 -14.677 1.00 0.00 C ATOM 263 CG HIS A 20 1.299 5.125 -15.691 1.00 0.00 C ATOM 264 ND1 HIS A 20 0.226 5.501 -16.470 1.00 0.00 N ATOM 265 CD2 HIS A 20 2.324 5.934 -16.049 1.00 0.00 C ATOM 266 CE1 HIS A 20 0.587 6.491 -17.266 1.00 0.00 C ATOM 267 NE2 HIS A 20 1.856 6.774 -17.030 1.00 0.00 N ATOM 0 H HIS A 20 -1.306 4.609 -14.658 1.00 0.00 H new ATOM 0 HA HIS A 20 0.636 3.689 -12.640 1.00 0.00 H new ATOM 0 HB2 HIS A 20 2.239 3.770 -14.358 1.00 0.00 H new ATOM 0 HB3 HIS A 20 0.808 3.135 -15.147 1.00 0.00 H new ATOM 0 HD2 HIS A 20 3.323 5.921 -15.640 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -0.047 6.985 -17.987 1.00 0.00 H new ATOM 0 HE2 HIS A 20 2.399 7.498 -17.500 1.00 0.00 H new ATOM 276 N ILE A 21 1.283 5.910 -11.789 1.00 0.00 N ATOM 277 CA ILE A 21 1.644 7.209 -11.234 1.00 0.00 C ATOM 278 C ILE A 21 3.134 7.486 -11.409 1.00 0.00 C ATOM 279 O ILE A 21 3.942 6.561 -11.486 1.00 0.00 O ATOM 280 CB ILE A 21 1.289 7.301 -9.739 1.00 0.00 C ATOM 281 CG1 ILE A 21 -0.066 6.641 -9.473 1.00 0.00 C ATOM 282 CG2 ILE A 21 1.275 8.753 -9.286 1.00 0.00 C ATOM 283 CD1 ILE A 21 -0.538 6.785 -8.043 1.00 0.00 C ATOM 0 H ILE A 21 1.500 5.118 -11.184 1.00 0.00 H new ATOM 0 HA ILE A 21 1.070 7.957 -11.782 1.00 0.00 H new ATOM 0 HB ILE A 21 2.050 6.770 -9.167 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -0.811 7.078 -10.139 1.00 0.00 H new ATOM 0 HG13 ILE A 21 0.000 5.581 -9.720 1.00 0.00 H new ATOM 0 HG21 ILE A 21 1.022 8.801 -8.227 1.00 0.00 H new ATOM 0 HG22 ILE A 21 2.259 9.193 -9.445 1.00 0.00 H new ATOM 0 HG23 ILE A 21 0.533 9.307 -9.862 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -1.504 6.294 -7.928 1.00 0.00 H new ATOM 0 HD12 ILE A 21 0.187 6.323 -7.372 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -0.637 7.842 -7.797 1.00 0.00 H new ATOM 295 N GLU A 22 3.489 8.766 -11.470 1.00 0.00 N ATOM 296 CA GLU A 22 4.882 9.164 -11.634 1.00 0.00 C ATOM 297 C GLU A 22 5.134 10.533 -11.008 1.00 0.00 C ATOM 298 O GLU A 22 4.344 11.461 -11.178 1.00 0.00 O ATOM 299 CB GLU A 22 5.255 9.193 -13.118 1.00 0.00 C ATOM 300 CG GLU A 22 5.342 7.815 -13.751 1.00 0.00 C ATOM 301 CD GLU A 22 5.602 7.873 -15.243 1.00 0.00 C ATOM 302 OE1 GLU A 22 4.896 8.632 -15.940 1.00 0.00 O ATOM 303 OE2 GLU A 22 6.513 7.160 -15.715 1.00 0.00 O ATOM 0 H GLU A 22 2.832 9.544 -11.408 1.00 0.00 H new ATOM 0 HA GLU A 22 5.506 8.430 -11.124 1.00 0.00 H new ATOM 0 HB2 GLU A 22 4.516 9.786 -13.658 1.00 0.00 H new ATOM 0 HB3 GLU A 22 6.214 9.698 -13.233 1.00 0.00 H new ATOM 0 HG2 GLU A 22 6.138 7.248 -13.269 1.00 0.00 H new ATOM 0 HG3 GLU A 22 4.412 7.276 -13.569 1.00 0.00 H new ATOM 310 N LYS A 23 6.241 10.650 -10.282 1.00 0.00 N ATOM 311 CA LYS A 23 6.599 11.904 -9.630 1.00 0.00 C ATOM 312 C LYS A 23 7.834 12.521 -10.280 1.00 0.00 C ATOM 313 O LYS A 23 8.545 11.859 -11.036 1.00 0.00 O ATOM 314 CB LYS A 23 6.856 11.672 -8.139 1.00 0.00 C ATOM 315 CG LYS A 23 5.788 10.830 -7.462 1.00 0.00 C ATOM 316 CD LYS A 23 5.635 11.199 -5.996 1.00 0.00 C ATOM 317 CE LYS A 23 4.635 12.329 -5.807 1.00 0.00 C ATOM 318 NZ LYS A 23 4.862 13.438 -6.774 1.00 0.00 N ATOM 0 H LYS A 23 6.906 9.891 -10.130 1.00 0.00 H new ATOM 0 HA LYS A 23 5.765 12.596 -9.745 1.00 0.00 H new ATOM 0 HB2 LYS A 23 7.823 11.184 -8.017 1.00 0.00 H new ATOM 0 HB3 LYS A 23 6.920 12.637 -7.635 1.00 0.00 H new ATOM 0 HG2 LYS A 23 4.836 10.967 -7.974 1.00 0.00 H new ATOM 0 HG3 LYS A 23 6.047 9.775 -7.548 1.00 0.00 H new ATOM 0 HD2 LYS A 23 5.309 10.325 -5.432 1.00 0.00 H new ATOM 0 HD3 LYS A 23 6.603 11.497 -5.592 1.00 0.00 H new ATOM 0 HE2 LYS A 23 3.623 11.943 -5.929 1.00 0.00 H new ATOM 0 HE3 LYS A 23 4.709 12.713 -4.790 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 4.171 14.196 -6.601 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 5.825 13.813 -6.653 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 4.749 13.081 -7.744 1.00 0.00 H new ATOM 332 N SER A 24 8.083 13.791 -9.978 1.00 0.00 N ATOM 333 CA SER A 24 9.231 14.498 -10.534 1.00 0.00 C ATOM 334 C SER A 24 10.464 14.309 -9.655 1.00 0.00 C ATOM 335 O SER A 24 11.484 13.783 -10.101 1.00 0.00 O ATOM 336 CB SER A 24 8.918 15.988 -10.680 1.00 0.00 C ATOM 337 OG SER A 24 8.117 16.231 -11.823 1.00 0.00 O ATOM 0 H SER A 24 7.505 14.352 -9.351 1.00 0.00 H new ATOM 0 HA SER A 24 9.441 14.080 -11.519 1.00 0.00 H new ATOM 0 HB2 SER A 24 8.402 16.343 -9.788 1.00 0.00 H new ATOM 0 HB3 SER A 24 9.847 16.552 -10.757 1.00 0.00 H new ATOM 0 HG SER A 24 7.929 17.190 -11.893 1.00 0.00 H new ATOM 343 N ASP A 25 10.361 14.742 -8.403 1.00 0.00 N ATOM 344 CA ASP A 25 11.467 14.621 -7.459 1.00 0.00 C ATOM 345 C ASP A 25 10.999 13.983 -6.155 1.00 0.00 C ATOM 346 O ASP A 25 10.380 14.640 -5.316 1.00 0.00 O ATOM 347 CB ASP A 25 12.080 15.994 -7.180 1.00 0.00 C ATOM 348 CG ASP A 25 12.769 16.579 -8.397 1.00 0.00 C ATOM 349 OD1 ASP A 25 13.352 15.800 -9.181 1.00 0.00 O ATOM 350 OD2 ASP A 25 12.724 17.815 -8.567 1.00 0.00 O ATOM 0 H ASP A 25 9.524 15.180 -8.018 1.00 0.00 H new ATOM 0 HA ASP A 25 12.226 13.978 -7.905 1.00 0.00 H new ATOM 0 HB2 ASP A 25 11.298 16.676 -6.846 1.00 0.00 H new ATOM 0 HB3 ASP A 25 12.799 15.909 -6.365 1.00 0.00 H new ATOM 355 N THR A 26 11.298 12.699 -5.989 1.00 0.00 N ATOM 356 CA THR A 26 10.907 11.972 -4.788 1.00 0.00 C ATOM 357 C THR A 26 11.484 12.625 -3.537 1.00 0.00 C ATOM 358 O THR A 26 10.807 12.740 -2.517 1.00 0.00 O ATOM 359 CB THR A 26 11.368 10.503 -4.845 1.00 0.00 C ATOM 360 OG1 THR A 26 12.783 10.441 -5.056 1.00 0.00 O ATOM 361 CG2 THR A 26 10.652 9.754 -5.959 1.00 0.00 C ATOM 0 H THR A 26 11.810 12.141 -6.672 1.00 0.00 H new ATOM 0 HA THR A 26 9.818 12.002 -4.741 1.00 0.00 H new ATOM 0 HB THR A 26 11.122 10.031 -3.894 1.00 0.00 H new ATOM 0 HG1 THR A 26 13.068 9.504 -5.089 1.00 0.00 H new ATOM 0 HG21 THR A 26 10.994 8.719 -5.980 1.00 0.00 H new ATOM 0 HG22 THR A 26 9.577 9.778 -5.781 1.00 0.00 H new ATOM 0 HG23 THR A 26 10.872 10.228 -6.916 1.00 0.00 H new ATOM 369 N ALA A 27 12.740 13.052 -3.624 1.00 0.00 N ATOM 370 CA ALA A 27 13.407 13.697 -2.500 1.00 0.00 C ATOM 371 C ALA A 27 12.457 14.633 -1.761 1.00 0.00 C ATOM 372 O ALA A 27 12.545 14.788 -0.544 1.00 0.00 O ATOM 373 CB ALA A 27 14.634 14.458 -2.980 1.00 0.00 C ATOM 0 H ALA A 27 13.316 12.963 -4.461 1.00 0.00 H new ATOM 0 HA ALA A 27 13.724 12.920 -1.804 1.00 0.00 H new ATOM 0 HB1 ALA A 27 15.122 14.935 -2.130 1.00 0.00 H new ATOM 0 HB2 ALA A 27 15.328 13.766 -3.456 1.00 0.00 H new ATOM 0 HB3 ALA A 27 14.332 15.220 -3.699 1.00 0.00 H new ATOM 379 N ALA A 28 11.550 15.256 -2.506 1.00 0.00 N ATOM 380 CA ALA A 28 10.582 16.177 -1.921 1.00 0.00 C ATOM 381 C ALA A 28 9.154 15.700 -2.165 1.00 0.00 C ATOM 382 O ALA A 28 8.477 15.244 -1.244 1.00 0.00 O ATOM 383 CB ALA A 28 10.777 17.576 -2.486 1.00 0.00 C ATOM 0 H ALA A 28 11.465 15.140 -3.516 1.00 0.00 H new ATOM 0 HA ALA A 28 10.749 16.205 -0.844 1.00 0.00 H new ATOM 0 HB1 ALA A 28 10.048 18.253 -2.041 1.00 0.00 H new ATOM 0 HB2 ALA A 28 11.784 17.924 -2.256 1.00 0.00 H new ATOM 0 HB3 ALA A 28 10.639 17.554 -3.567 1.00 0.00 H new ATOM 389 N ASP A 29 8.703 15.810 -3.409 1.00 0.00 N ATOM 390 CA ASP A 29 7.355 15.389 -3.774 1.00 0.00 C ATOM 391 C ASP A 29 7.191 13.882 -3.604 1.00 0.00 C ATOM 392 O ASP A 29 7.947 13.096 -4.176 1.00 0.00 O ATOM 393 CB ASP A 29 7.046 15.789 -5.218 1.00 0.00 C ATOM 394 CG ASP A 29 6.945 17.291 -5.394 1.00 0.00 C ATOM 395 OD1 ASP A 29 7.877 18.002 -4.963 1.00 0.00 O ATOM 396 OD2 ASP A 29 5.934 17.756 -5.961 1.00 0.00 O ATOM 0 H ASP A 29 9.251 16.187 -4.182 1.00 0.00 H new ATOM 0 HA ASP A 29 6.652 15.890 -3.108 1.00 0.00 H new ATOM 0 HB2 ASP A 29 7.825 15.401 -5.874 1.00 0.00 H new ATOM 0 HB3 ASP A 29 6.109 15.326 -5.528 1.00 0.00 H new ATOM 401 N THR A 30 6.199 13.485 -2.812 1.00 0.00 N ATOM 402 CA THR A 30 5.937 12.073 -2.565 1.00 0.00 C ATOM 403 C THR A 30 4.447 11.816 -2.371 1.00 0.00 C ATOM 404 O THR A 30 3.766 12.560 -1.666 1.00 0.00 O ATOM 405 CB THR A 30 6.699 11.570 -1.324 1.00 0.00 C ATOM 406 OG1 THR A 30 6.343 10.210 -1.049 1.00 0.00 O ATOM 407 CG2 THR A 30 6.390 12.435 -0.112 1.00 0.00 C ATOM 0 H THR A 30 5.564 14.122 -2.331 1.00 0.00 H new ATOM 0 HA THR A 30 6.285 11.528 -3.442 1.00 0.00 H new ATOM 0 HB THR A 30 7.767 11.631 -1.531 1.00 0.00 H new ATOM 0 HG1 THR A 30 6.833 9.897 -0.260 1.00 0.00 H new ATOM 0 HG21 THR A 30 6.939 12.061 0.752 1.00 0.00 H new ATOM 0 HG22 THR A 30 6.688 13.464 -0.314 1.00 0.00 H new ATOM 0 HG23 THR A 30 5.321 12.402 0.096 1.00 0.00 H new ATOM 415 N TYR A 31 3.948 10.759 -3.001 1.00 0.00 N ATOM 416 CA TYR A 31 2.537 10.404 -2.899 1.00 0.00 C ATOM 417 C TYR A 31 2.037 10.565 -1.467 1.00 0.00 C ATOM 418 O TYR A 31 2.723 10.201 -0.513 1.00 0.00 O ATOM 419 CB TYR A 31 2.316 8.966 -3.370 1.00 0.00 C ATOM 420 CG TYR A 31 3.253 8.540 -4.477 1.00 0.00 C ATOM 421 CD1 TYR A 31 3.100 9.028 -5.769 1.00 0.00 C ATOM 422 CD2 TYR A 31 4.291 7.650 -4.231 1.00 0.00 C ATOM 423 CE1 TYR A 31 3.954 8.641 -6.784 1.00 0.00 C ATOM 424 CE2 TYR A 31 5.150 7.259 -5.240 1.00 0.00 C ATOM 425 CZ TYR A 31 4.977 7.757 -6.515 1.00 0.00 C ATOM 426 OH TYR A 31 5.830 7.370 -7.523 1.00 0.00 O ATOM 0 H TYR A 31 4.499 10.133 -3.588 1.00 0.00 H new ATOM 0 HA TYR A 31 1.971 11.080 -3.540 1.00 0.00 H new ATOM 0 HB2 TYR A 31 2.439 8.292 -2.522 1.00 0.00 H new ATOM 0 HB3 TYR A 31 1.288 8.860 -3.715 1.00 0.00 H new ATOM 0 HD1 TYR A 31 2.300 9.721 -5.983 1.00 0.00 H new ATOM 0 HD2 TYR A 31 4.429 7.257 -3.234 1.00 0.00 H new ATOM 0 HE1 TYR A 31 3.821 9.029 -7.783 1.00 0.00 H new ATOM 0 HE2 TYR A 31 5.953 6.567 -5.032 1.00 0.00 H new ATOM 0 HH TYR A 31 6.402 6.641 -7.205 1.00 0.00 H new ATOM 436 N GLY A 32 0.834 11.115 -1.325 1.00 0.00 N ATOM 437 CA GLY A 32 0.261 11.315 -0.007 1.00 0.00 C ATOM 438 C GLY A 32 -0.889 10.368 0.275 1.00 0.00 C ATOM 439 O GLY A 32 -1.722 10.632 1.142 1.00 0.00 O ATOM 0 H GLY A 32 0.247 11.425 -2.099 1.00 0.00 H new ATOM 0 HA2 GLY A 32 1.035 11.176 0.747 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -0.089 12.343 0.081 1.00 0.00 H new ATOM 443 N PHE A 33 -0.936 9.262 -0.460 1.00 0.00 N ATOM 444 CA PHE A 33 -1.994 8.273 -0.286 1.00 0.00 C ATOM 445 C PHE A 33 -1.486 7.063 0.492 1.00 0.00 C ATOM 446 O PHE A 33 -0.307 6.715 0.419 1.00 0.00 O ATOM 447 CB PHE A 33 -2.534 7.829 -1.647 1.00 0.00 C ATOM 448 CG PHE A 33 -1.803 6.651 -2.227 1.00 0.00 C ATOM 449 CD1 PHE A 33 -0.453 6.736 -2.526 1.00 0.00 C ATOM 450 CD2 PHE A 33 -2.466 5.460 -2.471 1.00 0.00 C ATOM 451 CE1 PHE A 33 0.221 5.654 -3.060 1.00 0.00 C ATOM 452 CE2 PHE A 33 -1.797 4.374 -3.004 1.00 0.00 C ATOM 453 CZ PHE A 33 -0.451 4.471 -3.298 1.00 0.00 C ATOM 0 H PHE A 33 -0.254 9.028 -1.182 1.00 0.00 H new ATOM 0 HA PHE A 33 -2.800 8.736 0.284 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -3.590 7.577 -1.546 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -2.471 8.665 -2.344 1.00 0.00 H new ATOM 0 HD1 PHE A 33 0.078 7.658 -2.340 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -3.518 5.379 -2.242 1.00 0.00 H new ATOM 0 HE1 PHE A 33 1.273 5.734 -3.291 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -2.326 3.451 -3.190 1.00 0.00 H new ATOM 0 HZ PHE A 33 0.075 3.624 -3.713 1.00 0.00 H new ATOM 463 N SER A 34 -2.383 6.426 1.236 1.00 0.00 N ATOM 464 CA SER A 34 -2.026 5.258 2.032 1.00 0.00 C ATOM 465 C SER A 34 -2.989 4.104 1.766 1.00 0.00 C ATOM 466 O SER A 34 -4.047 4.290 1.164 1.00 0.00 O ATOM 467 CB SER A 34 -2.030 5.608 3.521 1.00 0.00 C ATOM 468 OG SER A 34 -3.177 6.364 3.864 1.00 0.00 O ATOM 0 H SER A 34 -3.363 6.699 1.304 1.00 0.00 H new ATOM 0 HA SER A 34 -1.023 4.945 1.743 1.00 0.00 H new ATOM 0 HB2 SER A 34 -2.003 4.693 4.113 1.00 0.00 H new ATOM 0 HB3 SER A 34 -1.131 6.173 3.767 1.00 0.00 H new ATOM 0 HG SER A 34 -3.157 6.573 4.821 1.00 0.00 H new ATOM 474 N LEU A 35 -2.614 2.913 2.220 1.00 0.00 N ATOM 475 CA LEU A 35 -3.444 1.728 2.032 1.00 0.00 C ATOM 476 C LEU A 35 -3.649 0.992 3.353 1.00 0.00 C ATOM 477 O LEU A 35 -2.697 0.750 4.094 1.00 0.00 O ATOM 478 CB LEU A 35 -2.804 0.790 1.007 1.00 0.00 C ATOM 479 CG LEU A 35 -3.087 1.107 -0.462 1.00 0.00 C ATOM 480 CD1 LEU A 35 -2.107 0.375 -1.365 1.00 0.00 C ATOM 481 CD2 LEU A 35 -4.520 0.741 -0.819 1.00 0.00 C ATOM 0 H LEU A 35 -1.742 2.742 2.720 1.00 0.00 H new ATOM 0 HA LEU A 35 -4.417 2.051 1.662 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -1.725 0.801 1.159 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -3.145 -0.225 1.211 1.00 0.00 H new ATOM 0 HG LEU A 35 -2.958 2.179 -0.614 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -2.324 0.613 -2.406 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -1.090 0.686 -1.126 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -2.203 -0.700 -1.211 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -4.704 0.973 -1.868 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -4.676 -0.324 -0.650 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -5.208 1.312 -0.195 1.00 0.00 H new ATOM 493 N SER A 36 -4.898 0.639 3.639 1.00 0.00 N ATOM 494 CA SER A 36 -5.229 -0.068 4.871 1.00 0.00 C ATOM 495 C SER A 36 -5.531 -1.537 4.590 1.00 0.00 C ATOM 496 O SER A 36 -6.320 -1.861 3.702 1.00 0.00 O ATOM 497 CB SER A 36 -6.429 0.589 5.554 1.00 0.00 C ATOM 498 OG SER A 36 -6.862 -0.172 6.668 1.00 0.00 O ATOM 0 H SER A 36 -5.697 0.831 3.035 1.00 0.00 H new ATOM 0 HA SER A 36 -4.367 -0.013 5.535 1.00 0.00 H new ATOM 0 HB2 SER A 36 -6.161 1.594 5.879 1.00 0.00 H new ATOM 0 HB3 SER A 36 -7.246 0.692 4.840 1.00 0.00 H new ATOM 0 HG SER A 36 -7.629 0.270 7.088 1.00 0.00 H new ATOM 504 N SER A 37 -4.897 -2.421 5.353 1.00 0.00 N ATOM 505 CA SER A 37 -5.094 -3.856 5.185 1.00 0.00 C ATOM 506 C SER A 37 -6.353 -4.321 5.911 1.00 0.00 C ATOM 507 O SER A 37 -6.529 -4.061 7.101 1.00 0.00 O ATOM 508 CB SER A 37 -3.878 -4.624 5.708 1.00 0.00 C ATOM 509 OG SER A 37 -3.671 -4.373 7.088 1.00 0.00 O ATOM 0 H SER A 37 -4.243 -2.169 6.094 1.00 0.00 H new ATOM 0 HA SER A 37 -5.213 -4.059 4.121 1.00 0.00 H new ATOM 0 HB2 SER A 37 -4.022 -5.692 5.547 1.00 0.00 H new ATOM 0 HB3 SER A 37 -2.991 -4.334 5.145 1.00 0.00 H new ATOM 0 HG SER A 37 -4.533 -4.208 7.523 1.00 0.00 H new ATOM 515 N VAL A 38 -7.227 -5.009 5.183 1.00 0.00 N ATOM 516 CA VAL A 38 -8.471 -5.511 5.756 1.00 0.00 C ATOM 517 C VAL A 38 -8.694 -6.974 5.388 1.00 0.00 C ATOM 518 O VAL A 38 -8.816 -7.316 4.212 1.00 0.00 O ATOM 519 CB VAL A 38 -9.681 -4.684 5.284 1.00 0.00 C ATOM 520 CG1 VAL A 38 -10.966 -5.220 5.895 1.00 0.00 C ATOM 521 CG2 VAL A 38 -9.489 -3.215 5.629 1.00 0.00 C ATOM 0 H VAL A 38 -7.097 -5.231 4.196 1.00 0.00 H new ATOM 0 HA VAL A 38 -8.380 -5.421 6.838 1.00 0.00 H new ATOM 0 HB VAL A 38 -9.759 -4.772 4.200 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -11.810 -4.623 5.550 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -11.108 -6.257 5.592 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -10.903 -5.165 6.982 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -10.353 -2.645 5.288 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -9.385 -3.105 6.708 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -8.591 -2.840 5.138 1.00 0.00 H new ATOM 531 N GLU A 39 -8.747 -7.832 6.402 1.00 0.00 N ATOM 532 CA GLU A 39 -8.956 -9.259 6.184 1.00 0.00 C ATOM 533 C GLU A 39 -10.438 -9.611 6.269 1.00 0.00 C ATOM 534 O GLU A 39 -11.134 -9.188 7.192 1.00 0.00 O ATOM 535 CB GLU A 39 -8.166 -10.075 7.209 1.00 0.00 C ATOM 536 CG GLU A 39 -7.907 -11.509 6.777 1.00 0.00 C ATOM 537 CD GLU A 39 -9.005 -12.457 7.217 1.00 0.00 C ATOM 538 OE1 GLU A 39 -10.185 -12.181 6.915 1.00 0.00 O ATOM 539 OE2 GLU A 39 -8.684 -13.477 7.862 1.00 0.00 O ATOM 0 H GLU A 39 -8.648 -7.564 7.381 1.00 0.00 H new ATOM 0 HA GLU A 39 -8.600 -9.504 5.183 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -7.212 -9.583 7.395 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -8.711 -10.082 8.153 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -7.813 -11.546 5.692 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -6.956 -11.843 7.191 1.00 0.00 H new ATOM 546 N GLU A 40 -10.912 -10.388 5.301 1.00 0.00 N ATOM 547 CA GLU A 40 -12.312 -10.796 5.266 1.00 0.00 C ATOM 548 C GLU A 40 -12.442 -12.263 4.864 1.00 0.00 C ATOM 549 O GLU A 40 -12.098 -12.643 3.745 1.00 0.00 O ATOM 550 CB GLU A 40 -13.099 -9.917 4.291 1.00 0.00 C ATOM 551 CG GLU A 40 -13.170 -8.458 4.709 1.00 0.00 C ATOM 552 CD GLU A 40 -13.882 -7.593 3.688 1.00 0.00 C ATOM 553 OE1 GLU A 40 -13.444 -7.575 2.518 1.00 0.00 O ATOM 554 OE2 GLU A 40 -14.877 -6.934 4.057 1.00 0.00 O ATOM 0 H GLU A 40 -10.348 -10.748 4.531 1.00 0.00 H new ATOM 0 HA GLU A 40 -12.724 -10.674 6.268 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -12.640 -9.982 3.305 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -14.112 -10.309 4.197 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -13.686 -8.383 5.666 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -12.160 -8.078 4.861 1.00 0.00 H new ATOM 561 N ASP A 41 -12.939 -13.080 5.785 1.00 0.00 N ATOM 562 CA ASP A 41 -13.115 -14.505 5.528 1.00 0.00 C ATOM 563 C ASP A 41 -11.801 -15.145 5.090 1.00 0.00 C ATOM 564 O ASP A 41 -11.792 -16.110 4.328 1.00 0.00 O ATOM 565 CB ASP A 41 -14.184 -14.723 4.456 1.00 0.00 C ATOM 566 CG ASP A 41 -15.575 -14.860 5.045 1.00 0.00 C ATOM 567 OD1 ASP A 41 -15.714 -15.536 6.085 1.00 0.00 O ATOM 568 OD2 ASP A 41 -16.523 -14.292 4.464 1.00 0.00 O ATOM 0 H ASP A 41 -13.227 -12.781 6.716 1.00 0.00 H new ATOM 0 HA ASP A 41 -13.438 -14.979 6.455 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -14.169 -13.887 3.757 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -13.944 -15.620 3.885 1.00 0.00 H new ATOM 573 N GLY A 42 -10.691 -14.598 5.578 1.00 0.00 N ATOM 574 CA GLY A 42 -9.387 -15.127 5.225 1.00 0.00 C ATOM 575 C GLY A 42 -8.765 -14.401 4.049 1.00 0.00 C ATOM 576 O GLY A 42 -7.574 -14.554 3.776 1.00 0.00 O ATOM 0 H GLY A 42 -10.672 -13.798 6.211 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -8.723 -15.053 6.086 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -9.481 -16.186 4.986 1.00 0.00 H new ATOM 580 N ILE A 43 -9.573 -13.611 3.350 1.00 0.00 N ATOM 581 CA ILE A 43 -9.094 -12.859 2.196 1.00 0.00 C ATOM 582 C ILE A 43 -8.591 -11.480 2.608 1.00 0.00 C ATOM 583 O ILE A 43 -9.372 -10.619 3.015 1.00 0.00 O ATOM 584 CB ILE A 43 -10.198 -12.694 1.135 1.00 0.00 C ATOM 585 CG1 ILE A 43 -10.671 -14.064 0.642 1.00 0.00 C ATOM 586 CG2 ILE A 43 -9.694 -11.852 -0.027 1.00 0.00 C ATOM 587 CD1 ILE A 43 -11.983 -14.016 -0.109 1.00 0.00 C ATOM 0 H ILE A 43 -10.561 -13.475 3.562 1.00 0.00 H new ATOM 0 HA ILE A 43 -8.270 -13.430 1.767 1.00 0.00 H new ATOM 0 HB ILE A 43 -11.045 -12.180 1.590 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -9.906 -14.492 -0.006 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -10.775 -14.733 1.497 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -10.486 -11.744 -0.769 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -9.402 -10.867 0.337 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -8.833 -12.340 -0.484 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -12.256 -15.022 -0.428 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -12.761 -13.618 0.543 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -11.878 -13.374 -0.983 1.00 0.00 H new ATOM 599 N ARG A 44 -7.282 -11.277 2.499 1.00 0.00 N ATOM 600 CA ARG A 44 -6.674 -10.002 2.860 1.00 0.00 C ATOM 601 C ARG A 44 -6.601 -9.073 1.651 1.00 0.00 C ATOM 602 O ARG A 44 -6.065 -9.440 0.605 1.00 0.00 O ATOM 603 CB ARG A 44 -5.273 -10.224 3.431 1.00 0.00 C ATOM 604 CG ARG A 44 -4.705 -9.008 4.144 1.00 0.00 C ATOM 605 CD ARG A 44 -3.999 -8.073 3.174 1.00 0.00 C ATOM 606 NE ARG A 44 -2.994 -7.250 3.842 1.00 0.00 N ATOM 607 CZ ARG A 44 -1.879 -7.740 4.374 1.00 0.00 C ATOM 608 NH1 ARG A 44 -1.629 -9.041 4.317 1.00 0.00 N ATOM 609 NH2 ARG A 44 -1.012 -6.927 4.964 1.00 0.00 N ATOM 0 H ARG A 44 -6.622 -11.979 2.164 1.00 0.00 H new ATOM 0 HA ARG A 44 -7.298 -9.533 3.620 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -5.303 -11.062 4.128 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -4.601 -10.506 2.621 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -5.509 -8.472 4.648 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -4.005 -9.331 4.915 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -3.524 -8.658 2.387 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -4.734 -7.428 2.692 1.00 0.00 H new ATOM 0 HE ARG A 44 -3.157 -6.245 3.903 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -2.293 -9.669 3.864 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -0.772 -9.414 4.726 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -1.201 -5.926 5.009 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -0.156 -7.303 5.372 1.00 0.00 H new ATOM 623 N ARG A 45 -7.144 -7.870 1.803 1.00 0.00 N ATOM 624 CA ARG A 45 -7.142 -6.889 0.724 1.00 0.00 C ATOM 625 C ARG A 45 -6.694 -5.522 1.232 1.00 0.00 C ATOM 626 O ARG A 45 -6.581 -5.303 2.439 1.00 0.00 O ATOM 627 CB ARG A 45 -8.535 -6.782 0.101 1.00 0.00 C ATOM 628 CG ARG A 45 -8.984 -8.048 -0.609 1.00 0.00 C ATOM 629 CD ARG A 45 -10.208 -7.797 -1.477 1.00 0.00 C ATOM 630 NE ARG A 45 -10.835 -9.041 -1.913 1.00 0.00 N ATOM 631 CZ ARG A 45 -11.661 -9.124 -2.950 1.00 0.00 C ATOM 632 NH1 ARG A 45 -11.957 -8.040 -3.654 1.00 0.00 N ATOM 633 NH2 ARG A 45 -12.191 -10.293 -3.286 1.00 0.00 N ATOM 0 H ARG A 45 -7.591 -7.551 2.663 1.00 0.00 H new ATOM 0 HA ARG A 45 -6.436 -7.224 -0.036 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -9.255 -6.539 0.882 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -8.544 -5.955 -0.609 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -8.170 -8.428 -1.227 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -9.211 -8.818 0.128 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -10.932 -7.202 -0.919 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -9.919 -7.211 -2.350 1.00 0.00 H new ATOM 0 HE ARG A 45 -10.627 -9.893 -1.393 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -11.550 -7.140 -3.400 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -12.592 -8.106 -4.450 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -11.964 -11.129 -2.748 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -12.825 -10.355 -4.082 1.00 0.00 H new ATOM 647 N LEU A 46 -6.440 -4.606 0.304 1.00 0.00 N ATOM 648 CA LEU A 46 -6.003 -3.260 0.658 1.00 0.00 C ATOM 649 C LEU A 46 -7.009 -2.218 0.179 1.00 0.00 C ATOM 650 O LEU A 46 -7.658 -2.394 -0.852 1.00 0.00 O ATOM 651 CB LEU A 46 -4.628 -2.973 0.052 1.00 0.00 C ATOM 652 CG LEU A 46 -3.423 -3.436 0.873 1.00 0.00 C ATOM 653 CD1 LEU A 46 -3.377 -2.710 2.209 1.00 0.00 C ATOM 654 CD2 LEU A 46 -3.468 -4.942 1.084 1.00 0.00 C ATOM 0 H LEU A 46 -6.529 -4.771 -0.699 1.00 0.00 H new ATOM 0 HA LEU A 46 -5.934 -3.201 1.744 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -4.579 -3.448 -0.928 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -4.541 -1.899 -0.109 1.00 0.00 H new ATOM 0 HG LEU A 46 -2.516 -3.194 0.319 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -2.513 -3.052 2.779 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -3.296 -1.637 2.037 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -4.288 -2.920 2.769 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -2.603 -5.253 1.670 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -4.381 -5.208 1.616 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -3.452 -5.445 0.117 1.00 0.00 H new ATOM 666 N TYR A 47 -7.132 -1.132 0.934 1.00 0.00 N ATOM 667 CA TYR A 47 -8.059 -0.061 0.587 1.00 0.00 C ATOM 668 C TYR A 47 -7.418 1.306 0.806 1.00 0.00 C ATOM 669 O TYR A 47 -6.856 1.580 1.866 1.00 0.00 O ATOM 670 CB TYR A 47 -9.337 -0.176 1.419 1.00 0.00 C ATOM 671 CG TYR A 47 -10.156 -1.407 1.104 1.00 0.00 C ATOM 672 CD1 TYR A 47 -10.963 -1.459 -0.026 1.00 0.00 C ATOM 673 CD2 TYR A 47 -10.122 -2.520 1.936 1.00 0.00 C ATOM 674 CE1 TYR A 47 -11.713 -2.582 -0.317 1.00 0.00 C ATOM 675 CE2 TYR A 47 -10.867 -3.647 1.652 1.00 0.00 C ATOM 676 CZ TYR A 47 -11.662 -3.674 0.525 1.00 0.00 C ATOM 677 OH TYR A 47 -12.406 -4.795 0.238 1.00 0.00 O ATOM 0 H TYR A 47 -6.602 -0.970 1.790 1.00 0.00 H new ATOM 0 HA TYR A 47 -8.310 -0.160 -0.469 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -9.072 -0.187 2.476 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -9.950 0.710 1.253 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -11.005 -0.607 -0.688 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -9.502 -2.503 2.820 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -12.336 -2.605 -1.199 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -10.828 -4.503 2.309 1.00 0.00 H new ATOM 0 HH TYR A 47 -12.256 -5.473 0.930 1.00 0.00 H new ATOM 687 N VAL A 48 -7.507 2.163 -0.207 1.00 0.00 N ATOM 688 CA VAL A 48 -6.939 3.503 -0.127 1.00 0.00 C ATOM 689 C VAL A 48 -7.602 4.316 0.978 1.00 0.00 C ATOM 690 O VAL A 48 -8.693 4.854 0.798 1.00 0.00 O ATOM 691 CB VAL A 48 -7.087 4.256 -1.463 1.00 0.00 C ATOM 692 CG1 VAL A 48 -6.482 5.648 -1.361 1.00 0.00 C ATOM 693 CG2 VAL A 48 -6.444 3.467 -2.593 1.00 0.00 C ATOM 0 H VAL A 48 -7.967 1.952 -1.093 1.00 0.00 H new ATOM 0 HA VAL A 48 -5.879 3.384 0.099 1.00 0.00 H new ATOM 0 HB VAL A 48 -8.149 4.363 -1.684 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -6.596 6.165 -2.314 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -6.993 6.211 -0.580 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -5.423 5.567 -1.116 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -6.558 4.014 -3.529 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -5.384 3.327 -2.381 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -6.929 2.494 -2.679 1.00 0.00 H new ATOM 703 N ASN A 49 -6.933 4.403 2.124 1.00 0.00 N ATOM 704 CA ASN A 49 -7.458 5.151 3.260 1.00 0.00 C ATOM 705 C ASN A 49 -7.569 6.636 2.929 1.00 0.00 C ATOM 706 O ASN A 49 -8.664 7.199 2.915 1.00 0.00 O ATOM 707 CB ASN A 49 -6.560 4.956 4.484 1.00 0.00 C ATOM 708 CG ASN A 49 -6.888 5.927 5.602 1.00 0.00 C ATOM 709 OD1 ASN A 49 -6.664 7.131 5.480 1.00 0.00 O ATOM 710 ND2 ASN A 49 -7.423 5.405 6.700 1.00 0.00 N ATOM 0 H ASN A 49 -6.027 3.965 2.290 1.00 0.00 H new ATOM 0 HA ASN A 49 -8.455 4.771 3.484 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -6.666 3.935 4.850 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -5.518 5.082 4.191 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -7.666 6.009 7.486 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -7.591 4.401 6.757 1.00 0.00 H new ATOM 717 N SER A 50 -6.429 7.265 2.662 1.00 0.00 N ATOM 718 CA SER A 50 -6.398 8.685 2.333 1.00 0.00 C ATOM 719 C SER A 50 -5.709 8.918 0.992 1.00 0.00 C ATOM 720 O SER A 50 -4.934 8.082 0.526 1.00 0.00 O ATOM 721 CB SER A 50 -5.678 9.469 3.432 1.00 0.00 C ATOM 722 OG SER A 50 -6.080 10.828 3.437 1.00 0.00 O ATOM 0 H SER A 50 -5.514 6.813 2.667 1.00 0.00 H new ATOM 0 HA SER A 50 -7.427 9.038 2.259 1.00 0.00 H new ATOM 0 HB2 SER A 50 -5.891 9.020 4.402 1.00 0.00 H new ATOM 0 HB3 SER A 50 -4.600 9.406 3.281 1.00 0.00 H new ATOM 0 HG SER A 50 -5.607 11.306 4.149 1.00 0.00 H new ATOM 728 N VAL A 51 -5.996 10.060 0.377 1.00 0.00 N ATOM 729 CA VAL A 51 -5.403 10.405 -0.910 1.00 0.00 C ATOM 730 C VAL A 51 -4.954 11.861 -0.936 1.00 0.00 C ATOM 731 O VAL A 51 -5.551 12.719 -0.285 1.00 0.00 O ATOM 732 CB VAL A 51 -6.393 10.164 -2.066 1.00 0.00 C ATOM 733 CG1 VAL A 51 -5.814 10.669 -3.379 1.00 0.00 C ATOM 734 CG2 VAL A 51 -6.749 8.688 -2.163 1.00 0.00 C ATOM 0 H VAL A 51 -6.635 10.762 0.749 1.00 0.00 H new ATOM 0 HA VAL A 51 -4.536 9.758 -1.042 1.00 0.00 H new ATOM 0 HB VAL A 51 -7.307 10.722 -1.861 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -6.527 10.490 -4.184 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -5.615 11.738 -3.302 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -4.885 10.141 -3.594 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -7.449 8.536 -2.985 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -5.845 8.107 -2.344 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -7.209 8.362 -1.230 1.00 0.00 H new ATOM 744 N LYS A 52 -3.897 12.135 -1.693 1.00 0.00 N ATOM 745 CA LYS A 52 -3.367 13.489 -1.806 1.00 0.00 C ATOM 746 C LYS A 52 -4.259 14.350 -2.694 1.00 0.00 C ATOM 747 O LYS A 52 -4.408 14.082 -3.886 1.00 0.00 O ATOM 748 CB LYS A 52 -1.945 13.456 -2.372 1.00 0.00 C ATOM 749 CG LYS A 52 -1.126 14.688 -2.030 1.00 0.00 C ATOM 750 CD LYS A 52 0.358 14.370 -1.963 1.00 0.00 C ATOM 751 CE LYS A 52 0.997 14.397 -3.343 1.00 0.00 C ATOM 752 NZ LYS A 52 2.455 14.693 -3.274 1.00 0.00 N ATOM 0 H LYS A 52 -3.390 11.437 -2.238 1.00 0.00 H new ATOM 0 HA LYS A 52 -3.345 13.928 -0.809 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -1.432 12.572 -1.992 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -1.997 13.354 -3.456 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -1.300 15.461 -2.779 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -1.456 15.091 -1.073 1.00 0.00 H new ATOM 0 HD2 LYS A 52 0.857 15.091 -1.316 1.00 0.00 H new ATOM 0 HD3 LYS A 52 0.501 13.387 -1.514 1.00 0.00 H new ATOM 0 HE2 LYS A 52 0.845 13.435 -3.833 1.00 0.00 H new ATOM 0 HE3 LYS A 52 0.502 15.149 -3.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 2.856 14.686 -4.233 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 2.599 15.630 -2.845 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 2.929 13.971 -2.695 1.00 0.00 H new ATOM 766 N GLU A 53 -4.849 15.386 -2.105 1.00 0.00 N ATOM 767 CA GLU A 53 -5.726 16.286 -2.845 1.00 0.00 C ATOM 768 C GLU A 53 -5.019 16.844 -4.077 1.00 0.00 C ATOM 769 O GLU A 53 -5.297 16.435 -5.205 1.00 0.00 O ATOM 770 CB GLU A 53 -6.189 17.435 -1.946 1.00 0.00 C ATOM 771 CG GLU A 53 -7.107 18.423 -2.646 1.00 0.00 C ATOM 772 CD GLU A 53 -7.553 19.551 -1.735 1.00 0.00 C ATOM 773 OE1 GLU A 53 -8.531 19.356 -0.984 1.00 0.00 O ATOM 774 OE2 GLU A 53 -6.923 20.628 -1.775 1.00 0.00 O ATOM 0 H GLU A 53 -4.736 15.622 -1.119 1.00 0.00 H new ATOM 0 HA GLU A 53 -6.596 15.716 -3.173 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -6.706 17.022 -1.080 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -5.315 17.967 -1.571 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -6.592 18.841 -3.511 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -7.984 17.896 -3.021 1.00 0.00 H new ATOM 781 N THR A 54 -4.103 17.781 -3.854 1.00 0.00 N ATOM 782 CA THR A 54 -3.357 18.396 -4.944 1.00 0.00 C ATOM 783 C THR A 54 -2.099 17.598 -5.269 1.00 0.00 C ATOM 784 O THR A 54 -0.992 18.133 -5.251 1.00 0.00 O ATOM 785 CB THR A 54 -2.960 19.845 -4.606 1.00 0.00 C ATOM 786 OG1 THR A 54 -2.235 19.878 -3.371 1.00 0.00 O ATOM 787 CG2 THR A 54 -4.190 20.734 -4.502 1.00 0.00 C ATOM 0 H THR A 54 -3.860 18.131 -2.927 1.00 0.00 H new ATOM 0 HA THR A 54 -4.015 18.401 -5.813 1.00 0.00 H new ATOM 0 HB THR A 54 -2.327 20.222 -5.409 1.00 0.00 H new ATOM 0 HG1 THR A 54 -1.378 19.417 -3.483 1.00 0.00 H new ATOM 0 HG21 THR A 54 -3.884 21.752 -4.263 1.00 0.00 H new ATOM 0 HG22 THR A 54 -4.724 20.730 -5.452 1.00 0.00 H new ATOM 0 HG23 THR A 54 -4.845 20.358 -3.716 1.00 0.00 H new ATOM 795 N GLY A 55 -2.278 16.315 -5.566 1.00 0.00 N ATOM 796 CA GLY A 55 -1.148 15.464 -5.891 1.00 0.00 C ATOM 797 C GLY A 55 -1.271 14.837 -7.266 1.00 0.00 C ATOM 798 O GLY A 55 -1.573 15.522 -8.244 1.00 0.00 O ATOM 0 H GLY A 55 -3.185 15.849 -5.587 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -0.230 16.050 -5.843 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -1.063 14.676 -5.142 1.00 0.00 H new ATOM 802 N LEU A 56 -1.034 13.532 -7.343 1.00 0.00 N ATOM 803 CA LEU A 56 -1.118 12.813 -8.609 1.00 0.00 C ATOM 804 C LEU A 56 -2.185 11.724 -8.546 1.00 0.00 C ATOM 805 O LEU A 56 -3.093 11.683 -9.376 1.00 0.00 O ATOM 806 CB LEU A 56 0.237 12.195 -8.958 1.00 0.00 C ATOM 807 CG LEU A 56 1.425 13.157 -8.987 1.00 0.00 C ATOM 808 CD1 LEU A 56 2.731 12.388 -9.117 1.00 0.00 C ATOM 809 CD2 LEU A 56 1.276 14.154 -10.126 1.00 0.00 C ATOM 0 H LEU A 56 -0.782 12.951 -6.544 1.00 0.00 H new ATOM 0 HA LEU A 56 -1.396 13.525 -9.386 1.00 0.00 H new ATOM 0 HB2 LEU A 56 0.451 11.406 -8.237 1.00 0.00 H new ATOM 0 HB3 LEU A 56 0.156 11.719 -9.935 1.00 0.00 H new ATOM 0 HG LEU A 56 1.444 13.709 -8.047 1.00 0.00 H new ATOM 0 HD11 LEU A 56 3.566 13.089 -9.136 1.00 0.00 H new ATOM 0 HD12 LEU A 56 2.842 11.714 -8.268 1.00 0.00 H new ATOM 0 HD13 LEU A 56 2.722 11.809 -10.041 1.00 0.00 H new ATOM 0 HD21 LEU A 56 2.130 14.831 -10.131 1.00 0.00 H new ATOM 0 HD22 LEU A 56 1.231 13.619 -11.074 1.00 0.00 H new ATOM 0 HD23 LEU A 56 0.359 14.728 -9.990 1.00 0.00 H new ATOM 821 N ALA A 57 -2.069 10.845 -7.556 1.00 0.00 N ATOM 822 CA ALA A 57 -3.026 9.759 -7.383 1.00 0.00 C ATOM 823 C ALA A 57 -4.460 10.268 -7.492 1.00 0.00 C ATOM 824 O ALA A 57 -5.312 9.623 -8.104 1.00 0.00 O ATOM 825 CB ALA A 57 -2.808 9.073 -6.043 1.00 0.00 C ATOM 0 H ALA A 57 -1.322 10.864 -6.862 1.00 0.00 H new ATOM 0 HA ALA A 57 -2.864 9.034 -8.181 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -3.529 8.264 -5.927 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -1.797 8.667 -6.002 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -2.941 9.796 -5.238 1.00 0.00 H new ATOM 831 N SER A 58 -4.719 11.427 -6.895 1.00 0.00 N ATOM 832 CA SER A 58 -6.051 12.019 -6.922 1.00 0.00 C ATOM 833 C SER A 58 -6.464 12.364 -8.350 1.00 0.00 C ATOM 834 O SER A 58 -7.350 11.730 -8.923 1.00 0.00 O ATOM 835 CB SER A 58 -6.091 13.276 -6.050 1.00 0.00 C ATOM 836 OG SER A 58 -7.237 14.058 -6.335 1.00 0.00 O ATOM 0 H SER A 58 -4.024 11.974 -6.387 1.00 0.00 H new ATOM 0 HA SER A 58 -6.755 11.287 -6.526 1.00 0.00 H new ATOM 0 HB2 SER A 58 -6.093 12.992 -4.998 1.00 0.00 H new ATOM 0 HB3 SER A 58 -5.192 13.868 -6.219 1.00 0.00 H new ATOM 0 HG SER A 58 -7.240 14.854 -5.764 1.00 0.00 H new ATOM 842 N LYS A 59 -5.814 13.374 -8.919 1.00 0.00 N ATOM 843 CA LYS A 59 -6.111 13.804 -10.280 1.00 0.00 C ATOM 844 C LYS A 59 -6.165 12.611 -11.229 1.00 0.00 C ATOM 845 O LYS A 59 -6.967 12.582 -12.162 1.00 0.00 O ATOM 846 CB LYS A 59 -5.057 14.804 -10.762 1.00 0.00 C ATOM 847 CG LYS A 59 -3.633 14.289 -10.649 1.00 0.00 C ATOM 848 CD LYS A 59 -2.627 15.318 -11.139 1.00 0.00 C ATOM 849 CE LYS A 59 -2.463 15.261 -12.650 1.00 0.00 C ATOM 850 NZ LYS A 59 -1.537 14.172 -13.067 1.00 0.00 N ATOM 0 H LYS A 59 -5.078 13.910 -8.459 1.00 0.00 H new ATOM 0 HA LYS A 59 -7.088 14.287 -10.276 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -5.260 15.060 -11.802 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -5.149 15.723 -10.183 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -3.418 14.035 -9.611 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -3.529 13.372 -11.230 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -2.953 16.316 -10.845 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -1.663 15.143 -10.660 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -3.437 15.108 -13.115 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -2.084 16.217 -13.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -1.452 14.166 -14.104 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -0.601 14.332 -12.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -1.911 13.256 -12.745 1.00 0.00 H new ATOM 864 N LYS A 60 -5.306 11.627 -10.984 1.00 0.00 N ATOM 865 CA LYS A 60 -5.257 10.429 -11.814 1.00 0.00 C ATOM 866 C LYS A 60 -6.617 9.739 -11.854 1.00 0.00 C ATOM 867 O LYS A 60 -7.279 9.710 -12.891 1.00 0.00 O ATOM 868 CB LYS A 60 -4.197 9.460 -11.285 1.00 0.00 C ATOM 869 CG LYS A 60 -3.552 8.614 -12.369 1.00 0.00 C ATOM 870 CD LYS A 60 -2.628 9.442 -13.246 1.00 0.00 C ATOM 871 CE LYS A 60 -1.897 8.575 -14.260 1.00 0.00 C ATOM 872 NZ LYS A 60 -2.726 8.318 -15.470 1.00 0.00 N ATOM 0 H LYS A 60 -4.634 11.636 -10.217 1.00 0.00 H new ATOM 0 HA LYS A 60 -4.992 10.730 -12.828 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -3.422 10.028 -10.770 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -4.655 8.802 -10.546 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -2.989 7.801 -11.911 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -4.327 8.157 -12.985 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -3.206 10.205 -13.768 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -1.903 9.964 -12.622 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -0.968 9.064 -14.553 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -1.625 7.626 -13.798 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -2.193 7.724 -16.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -3.601 7.829 -15.194 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -2.964 9.222 -15.926 1.00 0.00 H new ATOM 886 N GLY A 61 -7.029 9.186 -10.717 1.00 0.00 N ATOM 887 CA GLY A 61 -8.308 8.505 -10.644 1.00 0.00 C ATOM 888 C GLY A 61 -8.435 7.638 -9.407 1.00 0.00 C ATOM 889 O GLY A 61 -8.965 6.528 -9.469 1.00 0.00 O ATOM 0 H GLY A 61 -6.499 9.198 -9.845 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -9.110 9.243 -10.650 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -8.438 7.886 -11.532 1.00 0.00 H new ATOM 893 N LEU A 62 -7.945 8.144 -8.280 1.00 0.00 N ATOM 894 CA LEU A 62 -8.004 7.408 -7.022 1.00 0.00 C ATOM 895 C LEU A 62 -8.830 8.165 -5.987 1.00 0.00 C ATOM 896 O LEU A 62 -8.938 9.390 -6.037 1.00 0.00 O ATOM 897 CB LEU A 62 -6.593 7.162 -6.486 1.00 0.00 C ATOM 898 CG LEU A 62 -5.860 5.948 -7.058 1.00 0.00 C ATOM 899 CD1 LEU A 62 -4.356 6.177 -7.043 1.00 0.00 C ATOM 900 CD2 LEU A 62 -6.217 4.692 -6.276 1.00 0.00 C ATOM 0 H LEU A 62 -7.503 9.061 -8.212 1.00 0.00 H new ATOM 0 HA LEU A 62 -8.485 6.449 -7.212 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -5.992 8.050 -6.682 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -6.652 7.049 -5.403 1.00 0.00 H new ATOM 0 HG LEU A 62 -6.176 5.811 -8.092 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -3.851 5.303 -7.454 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -4.115 7.052 -7.647 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -4.023 6.340 -6.018 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -5.686 3.838 -6.697 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -5.930 4.819 -5.232 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -7.291 4.518 -6.338 1.00 0.00 H new ATOM 912 N LYS A 63 -9.409 7.427 -5.045 1.00 0.00 N ATOM 913 CA LYS A 63 -10.222 8.027 -3.994 1.00 0.00 C ATOM 914 C LYS A 63 -10.141 7.209 -2.710 1.00 0.00 C ATOM 915 O LYS A 63 -9.807 6.025 -2.737 1.00 0.00 O ATOM 916 CB LYS A 63 -11.679 8.139 -4.449 1.00 0.00 C ATOM 917 CG LYS A 63 -11.998 9.447 -5.152 1.00 0.00 C ATOM 918 CD LYS A 63 -12.358 10.540 -4.159 1.00 0.00 C ATOM 919 CE LYS A 63 -13.780 10.380 -3.644 1.00 0.00 C ATOM 920 NZ LYS A 63 -14.788 10.737 -4.680 1.00 0.00 N ATOM 0 H LYS A 63 -9.330 6.412 -4.988 1.00 0.00 H new ATOM 0 HA LYS A 63 -9.833 9.025 -3.793 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -11.906 7.311 -5.120 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -12.331 8.034 -3.582 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -11.139 9.761 -5.745 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -12.826 9.296 -5.845 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -11.662 10.515 -3.321 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -12.250 11.515 -4.634 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -13.937 9.350 -3.324 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -13.922 11.011 -2.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -15.721 10.846 -4.234 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -14.516 11.631 -5.136 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -14.832 9.983 -5.395 1.00 0.00 H new ATOM 934 N ALA A 64 -10.450 7.848 -1.586 1.00 0.00 N ATOM 935 CA ALA A 64 -10.415 7.179 -0.292 1.00 0.00 C ATOM 936 C ALA A 64 -11.410 6.024 -0.244 1.00 0.00 C ATOM 937 O ALA A 64 -12.582 6.215 0.078 1.00 0.00 O ATOM 938 CB ALA A 64 -10.703 8.172 0.824 1.00 0.00 C ATOM 0 H ALA A 64 -10.727 8.829 -1.546 1.00 0.00 H new ATOM 0 HA ALA A 64 -9.415 6.769 -0.150 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -10.674 7.658 1.785 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -9.951 8.961 0.812 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -11.691 8.609 0.676 1.00 0.00 H new ATOM 944 N GLY A 65 -10.935 4.825 -0.568 1.00 0.00 N ATOM 945 CA GLY A 65 -11.797 3.658 -0.557 1.00 0.00 C ATOM 946 C GLY A 65 -11.467 2.683 -1.670 1.00 0.00 C ATOM 947 O GLY A 65 -11.690 1.479 -1.536 1.00 0.00 O ATOM 0 H GLY A 65 -9.969 4.641 -0.838 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -11.706 3.152 0.404 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -12.835 3.976 -0.653 1.00 0.00 H new ATOM 951 N ASP A 66 -10.937 3.203 -2.771 1.00 0.00 N ATOM 952 CA ASP A 66 -10.577 2.370 -3.913 1.00 0.00 C ATOM 953 C ASP A 66 -9.931 1.066 -3.452 1.00 0.00 C ATOM 954 O ASP A 66 -9.153 1.052 -2.499 1.00 0.00 O ATOM 955 CB ASP A 66 -9.625 3.124 -4.842 1.00 0.00 C ATOM 956 CG ASP A 66 -10.295 4.298 -5.528 1.00 0.00 C ATOM 957 OD1 ASP A 66 -11.095 4.994 -4.868 1.00 0.00 O ATOM 958 OD2 ASP A 66 -10.018 4.523 -6.725 1.00 0.00 O ATOM 0 H ASP A 66 -10.747 4.197 -2.897 1.00 0.00 H new ATOM 0 HA ASP A 66 -11.490 2.130 -4.458 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -8.770 3.482 -4.269 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -9.239 2.438 -5.596 1.00 0.00 H new ATOM 963 N GLU A 67 -10.261 -0.025 -4.135 1.00 0.00 N ATOM 964 CA GLU A 67 -9.714 -1.333 -3.794 1.00 0.00 C ATOM 965 C GLU A 67 -8.560 -1.700 -4.723 1.00 0.00 C ATOM 966 O GLU A 67 -8.738 -1.809 -5.936 1.00 0.00 O ATOM 967 CB GLU A 67 -10.806 -2.403 -3.872 1.00 0.00 C ATOM 968 CG GLU A 67 -10.276 -3.823 -3.760 1.00 0.00 C ATOM 969 CD GLU A 67 -9.308 -3.995 -2.605 1.00 0.00 C ATOM 970 OE1 GLU A 67 -9.770 -4.045 -1.446 1.00 0.00 O ATOM 971 OE2 GLU A 67 -8.089 -4.080 -2.862 1.00 0.00 O ATOM 0 H GLU A 67 -10.904 -0.029 -4.927 1.00 0.00 H new ATOM 0 HA GLU A 67 -9.334 -1.285 -2.773 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -11.530 -2.230 -3.075 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -11.340 -2.297 -4.816 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -11.113 -4.510 -3.633 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -9.778 -4.095 -4.690 1.00 0.00 H new ATOM 978 N ILE A 68 -7.380 -1.888 -4.144 1.00 0.00 N ATOM 979 CA ILE A 68 -6.197 -2.242 -4.918 1.00 0.00 C ATOM 980 C ILE A 68 -6.111 -3.750 -5.131 1.00 0.00 C ATOM 981 O ILE A 68 -5.883 -4.509 -4.189 1.00 0.00 O ATOM 982 CB ILE A 68 -4.907 -1.758 -4.230 1.00 0.00 C ATOM 983 CG1 ILE A 68 -5.030 -0.281 -3.850 1.00 0.00 C ATOM 984 CG2 ILE A 68 -3.707 -1.978 -5.140 1.00 0.00 C ATOM 985 CD1 ILE A 68 -5.237 0.634 -5.036 1.00 0.00 C ATOM 0 H ILE A 68 -7.217 -1.801 -3.141 1.00 0.00 H new ATOM 0 HA ILE A 68 -6.292 -1.745 -5.883 1.00 0.00 H new ATOM 0 HB ILE A 68 -4.759 -2.338 -3.319 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -5.864 -0.161 -3.159 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -4.129 0.025 -3.318 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -2.803 -1.631 -4.640 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -3.612 -3.040 -5.366 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -3.846 -1.421 -6.066 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -5.316 1.665 -4.691 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -4.391 0.543 -5.718 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -6.154 0.355 -5.556 1.00 0.00 H new ATOM 997 N LEU A 69 -6.292 -4.177 -6.376 1.00 0.00 N ATOM 998 CA LEU A 69 -6.233 -5.595 -6.715 1.00 0.00 C ATOM 999 C LEU A 69 -4.788 -6.066 -6.837 1.00 0.00 C ATOM 1000 O LEU A 69 -4.406 -7.085 -6.263 1.00 0.00 O ATOM 1001 CB LEU A 69 -6.980 -5.858 -8.023 1.00 0.00 C ATOM 1002 CG LEU A 69 -8.402 -5.303 -8.108 1.00 0.00 C ATOM 1003 CD1 LEU A 69 -8.758 -4.964 -9.547 1.00 0.00 C ATOM 1004 CD2 LEU A 69 -9.399 -6.297 -7.530 1.00 0.00 C ATOM 0 H LEU A 69 -6.481 -3.562 -7.167 1.00 0.00 H new ATOM 0 HA LEU A 69 -6.711 -6.156 -5.912 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -6.397 -5.436 -8.842 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -7.022 -6.935 -8.184 1.00 0.00 H new ATOM 0 HG LEU A 69 -8.449 -4.387 -7.518 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -9.774 -4.570 -9.588 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -8.063 -4.215 -9.927 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -8.693 -5.863 -10.160 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -10.406 -5.885 -7.599 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -9.350 -7.230 -8.091 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -9.157 -6.489 -6.485 1.00 0.00 H new ATOM 1016 N GLU A 70 -3.988 -5.315 -7.589 1.00 0.00 N ATOM 1017 CA GLU A 70 -2.584 -5.656 -7.785 1.00 0.00 C ATOM 1018 C GLU A 70 -1.722 -4.397 -7.849 1.00 0.00 C ATOM 1019 O GLU A 70 -2.192 -3.331 -8.246 1.00 0.00 O ATOM 1020 CB GLU A 70 -2.409 -6.473 -9.067 1.00 0.00 C ATOM 1021 CG GLU A 70 -2.647 -7.961 -8.877 1.00 0.00 C ATOM 1022 CD GLU A 70 -1.910 -8.805 -9.899 1.00 0.00 C ATOM 1023 OE1 GLU A 70 -0.664 -8.853 -9.841 1.00 0.00 O ATOM 1024 OE2 GLU A 70 -2.580 -9.417 -10.758 1.00 0.00 O ATOM 0 H GLU A 70 -4.288 -4.468 -8.071 1.00 0.00 H new ATOM 0 HA GLU A 70 -2.260 -6.255 -6.934 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -3.097 -6.097 -9.824 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -1.400 -6.321 -9.450 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -2.330 -8.251 -7.875 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -3.715 -8.166 -8.945 1.00 0.00 H new ATOM 1031 N ILE A 71 -0.460 -4.531 -7.455 1.00 0.00 N ATOM 1032 CA ILE A 71 0.466 -3.406 -7.469 1.00 0.00 C ATOM 1033 C ILE A 71 1.778 -3.783 -8.148 1.00 0.00 C ATOM 1034 O ILE A 71 2.610 -4.480 -7.571 1.00 0.00 O ATOM 1035 CB ILE A 71 0.765 -2.906 -6.043 1.00 0.00 C ATOM 1036 CG1 ILE A 71 -0.536 -2.730 -5.258 1.00 0.00 C ATOM 1037 CG2 ILE A 71 1.541 -1.598 -6.092 1.00 0.00 C ATOM 1038 CD1 ILE A 71 -0.326 -2.562 -3.769 1.00 0.00 C ATOM 0 H ILE A 71 -0.056 -5.407 -7.123 1.00 0.00 H new ATOM 0 HA ILE A 71 -0.016 -2.607 -8.032 1.00 0.00 H new ATOM 0 HB ILE A 71 1.377 -3.650 -5.534 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -1.068 -1.859 -5.642 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -1.175 -3.596 -5.431 1.00 0.00 H new ATOM 0 HG21 ILE A 71 1.745 -1.258 -5.077 1.00 0.00 H new ATOM 0 HG22 ILE A 71 2.483 -1.753 -6.618 1.00 0.00 H new ATOM 0 HG23 ILE A 71 0.952 -0.845 -6.616 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -1.291 -2.442 -3.277 1.00 0.00 H new ATOM 0 HD12 ILE A 71 0.178 -3.443 -3.371 1.00 0.00 H new ATOM 0 HD13 ILE A 71 0.287 -1.680 -3.585 1.00 0.00 H new ATOM 1050 N ASN A 72 1.957 -3.314 -9.379 1.00 0.00 N ATOM 1051 CA ASN A 72 3.169 -3.600 -10.138 1.00 0.00 C ATOM 1052 C ASN A 72 3.320 -5.100 -10.376 1.00 0.00 C ATOM 1053 O ASN A 72 4.417 -5.647 -10.273 1.00 0.00 O ATOM 1054 CB ASN A 72 4.396 -3.063 -9.400 1.00 0.00 C ATOM 1055 CG ASN A 72 4.673 -1.607 -9.720 1.00 0.00 C ATOM 1056 OD1 ASN A 72 4.715 -1.214 -10.886 1.00 0.00 O ATOM 1057 ND2 ASN A 72 4.863 -0.799 -8.684 1.00 0.00 N ATOM 0 H ASN A 72 1.278 -2.734 -9.872 1.00 0.00 H new ATOM 0 HA ASN A 72 3.089 -3.103 -11.105 1.00 0.00 H new ATOM 0 HB2 ASN A 72 4.248 -3.174 -8.326 1.00 0.00 H new ATOM 0 HB3 ASN A 72 5.267 -3.662 -9.665 1.00 0.00 H new ATOM 0 HD21 ASN A 72 5.053 0.191 -8.838 1.00 0.00 H new ATOM 0 HD22 ASN A 72 4.819 -1.168 -7.734 1.00 0.00 H new ATOM 1064 N ASN A 73 2.210 -5.757 -10.696 1.00 0.00 N ATOM 1065 CA ASN A 73 2.219 -7.193 -10.949 1.00 0.00 C ATOM 1066 C ASN A 73 2.439 -7.972 -9.656 1.00 0.00 C ATOM 1067 O ASN A 73 3.012 -9.062 -9.665 1.00 0.00 O ATOM 1068 CB ASN A 73 3.309 -7.547 -11.962 1.00 0.00 C ATOM 1069 CG ASN A 73 3.003 -8.826 -12.718 1.00 0.00 C ATOM 1070 OD1 ASN A 73 1.889 -9.346 -12.655 1.00 0.00 O ATOM 1071 ND2 ASN A 73 3.994 -9.339 -13.438 1.00 0.00 N ATOM 0 H ASN A 73 1.294 -5.318 -10.786 1.00 0.00 H new ATOM 0 HA ASN A 73 1.248 -7.470 -11.359 1.00 0.00 H new ATOM 0 HB2 ASN A 73 3.422 -6.727 -12.671 1.00 0.00 H new ATOM 0 HB3 ASN A 73 4.262 -7.654 -11.444 1.00 0.00 H new ATOM 0 HD21 ASN A 73 3.848 -10.198 -13.968 1.00 0.00 H new ATOM 0 HD22 ASN A 73 4.901 -8.874 -13.461 1.00 0.00 H new ATOM 1078 N ARG A 74 1.978 -7.406 -8.545 1.00 0.00 N ATOM 1079 CA ARG A 74 2.125 -8.047 -7.243 1.00 0.00 C ATOM 1080 C ARG A 74 0.784 -8.116 -6.518 1.00 0.00 C ATOM 1081 O ARG A 74 0.017 -7.154 -6.517 1.00 0.00 O ATOM 1082 CB ARG A 74 3.141 -7.287 -6.389 1.00 0.00 C ATOM 1083 CG ARG A 74 4.547 -7.293 -6.966 1.00 0.00 C ATOM 1084 CD ARG A 74 5.282 -8.581 -6.629 1.00 0.00 C ATOM 1085 NE ARG A 74 5.050 -9.621 -7.627 1.00 0.00 N ATOM 1086 CZ ARG A 74 5.486 -10.869 -7.503 1.00 0.00 C ATOM 1087 NH1 ARG A 74 6.174 -11.231 -6.429 1.00 0.00 N ATOM 1088 NH2 ARG A 74 5.234 -11.759 -8.455 1.00 0.00 N ATOM 0 H ARG A 74 1.500 -6.505 -8.520 1.00 0.00 H new ATOM 0 HA ARG A 74 2.485 -9.063 -7.404 1.00 0.00 H new ATOM 0 HB2 ARG A 74 2.808 -6.255 -6.276 1.00 0.00 H new ATOM 0 HB3 ARG A 74 3.165 -7.726 -5.391 1.00 0.00 H new ATOM 0 HG2 ARG A 74 4.498 -7.173 -8.048 1.00 0.00 H new ATOM 0 HG3 ARG A 74 5.105 -6.442 -6.576 1.00 0.00 H new ATOM 0 HD2 ARG A 74 6.351 -8.380 -6.557 1.00 0.00 H new ATOM 0 HD3 ARG A 74 4.958 -8.938 -5.651 1.00 0.00 H new ATOM 0 HE ARG A 74 4.524 -9.375 -8.466 1.00 0.00 H new ATOM 0 HH11 ARG A 74 6.370 -10.550 -5.695 1.00 0.00 H new ATOM 0 HH12 ARG A 74 6.508 -12.190 -6.337 1.00 0.00 H new ATOM 0 HH21 ARG A 74 4.705 -11.484 -9.283 1.00 0.00 H new ATOM 0 HH22 ARG A 74 5.569 -12.717 -8.359 1.00 0.00 H new ATOM 1102 N ALA A 75 0.510 -9.261 -5.901 1.00 0.00 N ATOM 1103 CA ALA A 75 -0.736 -9.455 -5.170 1.00 0.00 C ATOM 1104 C ALA A 75 -0.777 -8.592 -3.914 1.00 0.00 C ATOM 1105 O ALA A 75 0.129 -8.646 -3.082 1.00 0.00 O ATOM 1106 CB ALA A 75 -0.913 -10.923 -4.810 1.00 0.00 C ATOM 0 H ALA A 75 1.134 -10.068 -5.893 1.00 0.00 H new ATOM 0 HA ALA A 75 -1.559 -9.148 -5.816 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -1.847 -11.054 -4.264 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -0.938 -11.521 -5.721 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -0.080 -11.248 -4.186 1.00 0.00 H new ATOM 1112 N ALA A 76 -1.832 -7.794 -3.783 1.00 0.00 N ATOM 1113 CA ALA A 76 -1.990 -6.920 -2.628 1.00 0.00 C ATOM 1114 C ALA A 76 -1.773 -7.685 -1.327 1.00 0.00 C ATOM 1115 O ALA A 76 -1.116 -7.194 -0.409 1.00 0.00 O ATOM 1116 CB ALA A 76 -3.368 -6.275 -2.639 1.00 0.00 C ATOM 0 H ALA A 76 -2.590 -7.735 -4.463 1.00 0.00 H new ATOM 0 HA ALA A 76 -1.234 -6.137 -2.690 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -3.472 -5.625 -1.770 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -3.487 -5.687 -3.549 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -4.133 -7.051 -2.605 1.00 0.00 H new ATOM 1122 N ASP A 77 -2.330 -8.889 -1.254 1.00 0.00 N ATOM 1123 CA ASP A 77 -2.196 -9.722 -0.064 1.00 0.00 C ATOM 1124 C ASP A 77 -0.777 -10.266 0.062 1.00 0.00 C ATOM 1125 O ASP A 77 -0.278 -10.475 1.167 1.00 0.00 O ATOM 1126 CB ASP A 77 -3.197 -10.878 -0.111 1.00 0.00 C ATOM 1127 CG ASP A 77 -3.039 -11.731 -1.354 1.00 0.00 C ATOM 1128 OD1 ASP A 77 -3.323 -11.226 -2.460 1.00 0.00 O ATOM 1129 OD2 ASP A 77 -2.630 -12.903 -1.220 1.00 0.00 O ATOM 0 H ASP A 77 -2.878 -9.310 -2.004 1.00 0.00 H new ATOM 0 HA ASP A 77 -2.407 -9.104 0.809 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -3.068 -11.502 0.773 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -4.211 -10.479 -0.074 1.00 0.00 H new ATOM 1134 N ALA A 78 -0.133 -10.495 -1.078 1.00 0.00 N ATOM 1135 CA ALA A 78 1.229 -11.014 -1.096 1.00 0.00 C ATOM 1136 C ALA A 78 2.221 -9.968 -0.597 1.00 0.00 C ATOM 1137 O ALA A 78 3.278 -10.306 -0.063 1.00 0.00 O ATOM 1138 CB ALA A 78 1.601 -11.471 -2.498 1.00 0.00 C ATOM 0 H ALA A 78 -0.533 -10.329 -2.001 1.00 0.00 H new ATOM 0 HA ALA A 78 1.275 -11.870 -0.423 1.00 0.00 H new ATOM 0 HB1 ALA A 78 2.621 -11.856 -2.497 1.00 0.00 H new ATOM 0 HB2 ALA A 78 0.917 -12.257 -2.818 1.00 0.00 H new ATOM 0 HB3 ALA A 78 1.533 -10.628 -3.186 1.00 0.00 H new ATOM 1144 N LEU A 79 1.875 -8.698 -0.776 1.00 0.00 N ATOM 1145 CA LEU A 79 2.736 -7.603 -0.345 1.00 0.00 C ATOM 1146 C LEU A 79 2.545 -7.312 1.140 1.00 0.00 C ATOM 1147 O LEU A 79 1.419 -7.253 1.632 1.00 0.00 O ATOM 1148 CB LEU A 79 2.443 -6.345 -1.164 1.00 0.00 C ATOM 1149 CG LEU A 79 2.523 -6.499 -2.683 1.00 0.00 C ATOM 1150 CD1 LEU A 79 1.886 -5.304 -3.375 1.00 0.00 C ATOM 1151 CD2 LEU A 79 3.969 -6.666 -3.126 1.00 0.00 C ATOM 0 H LEU A 79 1.004 -8.401 -1.217 1.00 0.00 H new ATOM 0 HA LEU A 79 3.771 -7.902 -0.508 1.00 0.00 H new ATOM 0 HB2 LEU A 79 1.444 -5.993 -0.907 1.00 0.00 H new ATOM 0 HB3 LEU A 79 3.143 -5.567 -0.860 1.00 0.00 H new ATOM 0 HG LEU A 79 1.971 -7.394 -2.968 1.00 0.00 H new ATOM 0 HD11 LEU A 79 1.952 -5.431 -4.456 1.00 0.00 H new ATOM 0 HD12 LEU A 79 0.839 -5.230 -3.082 1.00 0.00 H new ATOM 0 HD13 LEU A 79 2.410 -4.393 -3.084 1.00 0.00 H new ATOM 0 HD21 LEU A 79 4.007 -6.774 -4.210 1.00 0.00 H new ATOM 0 HD22 LEU A 79 4.544 -5.789 -2.828 1.00 0.00 H new ATOM 0 HD23 LEU A 79 4.393 -7.554 -2.657 1.00 0.00 H new ATOM 1163 N ASN A 80 3.654 -7.130 1.850 1.00 0.00 N ATOM 1164 CA ASN A 80 3.609 -6.844 3.279 1.00 0.00 C ATOM 1165 C ASN A 80 4.051 -5.411 3.561 1.00 0.00 C ATOM 1166 O ASN A 80 4.687 -4.770 2.724 1.00 0.00 O ATOM 1167 CB ASN A 80 4.499 -7.824 4.045 1.00 0.00 C ATOM 1168 CG ASN A 80 5.961 -7.700 3.661 1.00 0.00 C ATOM 1169 OD1 ASN A 80 6.288 -7.303 2.542 1.00 0.00 O ATOM 1170 ND2 ASN A 80 6.848 -8.039 4.589 1.00 0.00 N ATOM 0 H ASN A 80 4.595 -7.176 1.459 1.00 0.00 H new ATOM 0 HA ASN A 80 2.579 -6.961 3.615 1.00 0.00 H new ATOM 0 HB2 ASN A 80 4.391 -7.648 5.115 1.00 0.00 H new ATOM 0 HB3 ASN A 80 4.161 -8.843 3.854 1.00 0.00 H new ATOM 0 HD21 ASN A 80 7.846 -7.976 4.388 1.00 0.00 H new ATOM 0 HD22 ASN A 80 6.531 -8.363 5.503 1.00 0.00 H new ATOM 1177 N SER A 81 3.710 -4.915 4.746 1.00 0.00 N ATOM 1178 CA SER A 81 4.068 -3.557 5.138 1.00 0.00 C ATOM 1179 C SER A 81 5.462 -3.195 4.633 1.00 0.00 C ATOM 1180 O SER A 81 5.694 -2.081 4.164 1.00 0.00 O ATOM 1181 CB SER A 81 4.012 -3.411 6.660 1.00 0.00 C ATOM 1182 OG SER A 81 4.907 -4.310 7.292 1.00 0.00 O ATOM 0 H SER A 81 3.186 -5.433 5.451 1.00 0.00 H new ATOM 0 HA SER A 81 3.348 -2.874 4.687 1.00 0.00 H new ATOM 0 HB2 SER A 81 4.262 -2.388 6.940 1.00 0.00 H new ATOM 0 HB3 SER A 81 2.997 -3.598 7.009 1.00 0.00 H new ATOM 0 HG SER A 81 4.854 -4.196 8.264 1.00 0.00 H new ATOM 1188 N SER A 82 6.385 -4.146 4.731 1.00 0.00 N ATOM 1189 CA SER A 82 7.757 -3.928 4.288 1.00 0.00 C ATOM 1190 C SER A 82 7.809 -3.680 2.783 1.00 0.00 C ATOM 1191 O SER A 82 8.303 -2.648 2.331 1.00 0.00 O ATOM 1192 CB SER A 82 8.629 -5.133 4.647 1.00 0.00 C ATOM 1193 OG SER A 82 10.006 -4.801 4.589 1.00 0.00 O ATOM 0 H SER A 82 6.208 -5.075 5.113 1.00 0.00 H new ATOM 0 HA SER A 82 8.141 -3.045 4.798 1.00 0.00 H new ATOM 0 HB2 SER A 82 8.378 -5.482 5.648 1.00 0.00 H new ATOM 0 HB3 SER A 82 8.420 -5.954 3.961 1.00 0.00 H new ATOM 0 HG SER A 82 10.542 -5.587 4.824 1.00 0.00 H new ATOM 1199 N MET A 83 7.295 -4.634 2.014 1.00 0.00 N ATOM 1200 CA MET A 83 7.281 -4.519 0.561 1.00 0.00 C ATOM 1201 C MET A 83 6.616 -3.217 0.125 1.00 0.00 C ATOM 1202 O MET A 83 7.208 -2.420 -0.604 1.00 0.00 O ATOM 1203 CB MET A 83 6.550 -5.711 -0.060 1.00 0.00 C ATOM 1204 CG MET A 83 7.377 -6.986 -0.083 1.00 0.00 C ATOM 1205 SD MET A 83 6.384 -8.452 -0.422 1.00 0.00 S ATOM 1206 CE MET A 83 7.046 -9.597 0.785 1.00 0.00 C ATOM 0 H MET A 83 6.883 -5.495 2.373 1.00 0.00 H new ATOM 0 HA MET A 83 8.314 -4.514 0.212 1.00 0.00 H new ATOM 0 HB2 MET A 83 5.631 -5.894 0.497 1.00 0.00 H new ATOM 0 HB3 MET A 83 6.260 -5.458 -1.080 1.00 0.00 H new ATOM 0 HG2 MET A 83 8.155 -6.896 -0.841 1.00 0.00 H new ATOM 0 HG3 MET A 83 7.879 -7.106 0.877 1.00 0.00 H new ATOM 0 HE1 MET A 83 7.182 -10.575 0.323 1.00 0.00 H new ATOM 0 HE2 MET A 83 8.006 -9.229 1.147 1.00 0.00 H new ATOM 0 HE3 MET A 83 6.353 -9.685 1.622 1.00 0.00 H new ATOM 1216 N LEU A 84 5.384 -3.007 0.575 1.00 0.00 N ATOM 1217 CA LEU A 84 4.639 -1.801 0.231 1.00 0.00 C ATOM 1218 C LEU A 84 5.519 -0.562 0.358 1.00 0.00 C ATOM 1219 O LEU A 84 5.653 0.217 -0.586 1.00 0.00 O ATOM 1220 CB LEU A 84 3.411 -1.663 1.133 1.00 0.00 C ATOM 1221 CG LEU A 84 2.212 -2.540 0.773 1.00 0.00 C ATOM 1222 CD1 LEU A 84 1.259 -2.653 1.953 1.00 0.00 C ATOM 1223 CD2 LEU A 84 1.490 -1.984 -0.447 1.00 0.00 C ATOM 0 H LEU A 84 4.880 -3.656 1.179 1.00 0.00 H new ATOM 0 HA LEU A 84 4.314 -1.888 -0.806 1.00 0.00 H new ATOM 0 HB2 LEU A 84 3.709 -1.892 2.156 1.00 0.00 H new ATOM 0 HB3 LEU A 84 3.091 -0.621 1.120 1.00 0.00 H new ATOM 0 HG LEU A 84 2.577 -3.538 0.530 1.00 0.00 H new ATOM 0 HD11 LEU A 84 0.412 -3.281 1.678 1.00 0.00 H new ATOM 0 HD12 LEU A 84 1.780 -3.098 2.800 1.00 0.00 H new ATOM 0 HD13 LEU A 84 0.901 -1.661 2.228 1.00 0.00 H new ATOM 0 HD21 LEU A 84 0.639 -2.621 -0.688 1.00 0.00 H new ATOM 0 HD22 LEU A 84 1.138 -0.975 -0.233 1.00 0.00 H new ATOM 0 HD23 LEU A 84 2.175 -1.957 -1.294 1.00 0.00 H new ATOM 1235 N LYS A 85 6.120 -0.387 1.530 1.00 0.00 N ATOM 1236 CA LYS A 85 6.991 0.755 1.781 1.00 0.00 C ATOM 1237 C LYS A 85 7.911 1.009 0.592 1.00 0.00 C ATOM 1238 O LYS A 85 7.965 2.120 0.063 1.00 0.00 O ATOM 1239 CB LYS A 85 7.824 0.520 3.043 1.00 0.00 C ATOM 1240 CG LYS A 85 8.187 1.798 3.780 1.00 0.00 C ATOM 1241 CD LYS A 85 8.869 1.503 5.105 1.00 0.00 C ATOM 1242 CE LYS A 85 10.303 1.037 4.903 1.00 0.00 C ATOM 1243 NZ LYS A 85 11.139 1.277 6.112 1.00 0.00 N ATOM 0 H LYS A 85 6.020 -1.022 2.322 1.00 0.00 H new ATOM 0 HA LYS A 85 6.363 1.634 1.926 1.00 0.00 H new ATOM 0 HB2 LYS A 85 7.270 -0.133 3.717 1.00 0.00 H new ATOM 0 HB3 LYS A 85 8.740 -0.005 2.771 1.00 0.00 H new ATOM 0 HG2 LYS A 85 8.846 2.403 3.158 1.00 0.00 H new ATOM 0 HG3 LYS A 85 7.286 2.386 3.956 1.00 0.00 H new ATOM 0 HD2 LYS A 85 8.861 2.398 5.727 1.00 0.00 H new ATOM 0 HD3 LYS A 85 8.309 0.737 5.641 1.00 0.00 H new ATOM 0 HE2 LYS A 85 10.309 -0.026 4.662 1.00 0.00 H new ATOM 0 HE3 LYS A 85 10.738 1.559 4.051 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 12.109 0.946 5.935 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 11.154 2.294 6.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 10.739 0.758 6.920 1.00 0.00 H new ATOM 1257 N ASP A 86 8.632 -0.026 0.175 1.00 0.00 N ATOM 1258 CA ASP A 86 9.548 0.084 -0.954 1.00 0.00 C ATOM 1259 C ASP A 86 8.850 0.704 -2.161 1.00 0.00 C ATOM 1260 O ASP A 86 9.316 1.698 -2.717 1.00 0.00 O ATOM 1261 CB ASP A 86 10.106 -1.291 -1.322 1.00 0.00 C ATOM 1262 CG ASP A 86 11.075 -1.230 -2.486 1.00 0.00 C ATOM 1263 OD1 ASP A 86 11.833 -0.241 -2.576 1.00 0.00 O ATOM 1264 OD2 ASP A 86 11.078 -2.172 -3.305 1.00 0.00 O ATOM 0 H ASP A 86 8.600 -0.952 0.602 1.00 0.00 H new ATOM 0 HA ASP A 86 10.372 0.734 -0.660 1.00 0.00 H new ATOM 0 HB2 ASP A 86 10.610 -1.719 -0.456 1.00 0.00 H new ATOM 0 HB3 ASP A 86 9.282 -1.959 -1.574 1.00 0.00 H new ATOM 1269 N PHE A 87 7.732 0.109 -2.561 1.00 0.00 N ATOM 1270 CA PHE A 87 6.971 0.601 -3.704 1.00 0.00 C ATOM 1271 C PHE A 87 6.570 2.060 -3.503 1.00 0.00 C ATOM 1272 O PHE A 87 6.536 2.843 -4.453 1.00 0.00 O ATOM 1273 CB PHE A 87 5.723 -0.257 -3.920 1.00 0.00 C ATOM 1274 CG PHE A 87 5.952 -1.429 -4.831 1.00 0.00 C ATOM 1275 CD1 PHE A 87 6.569 -1.259 -6.060 1.00 0.00 C ATOM 1276 CD2 PHE A 87 5.551 -2.702 -4.458 1.00 0.00 C ATOM 1277 CE1 PHE A 87 6.782 -2.335 -6.900 1.00 0.00 C ATOM 1278 CE2 PHE A 87 5.761 -3.782 -5.294 1.00 0.00 C ATOM 1279 CZ PHE A 87 6.376 -3.599 -6.517 1.00 0.00 C ATOM 0 H PHE A 87 7.332 -0.715 -2.111 1.00 0.00 H new ATOM 0 HA PHE A 87 7.606 0.535 -4.587 1.00 0.00 H new ATOM 0 HB2 PHE A 87 5.370 -0.621 -2.955 1.00 0.00 H new ATOM 0 HB3 PHE A 87 4.931 0.366 -4.335 1.00 0.00 H new ATOM 0 HD1 PHE A 87 6.887 -0.273 -6.365 1.00 0.00 H new ATOM 0 HD2 PHE A 87 5.069 -2.852 -3.503 1.00 0.00 H new ATOM 0 HE1 PHE A 87 7.265 -2.188 -7.855 1.00 0.00 H new ATOM 0 HE2 PHE A 87 5.444 -4.769 -4.991 1.00 0.00 H new ATOM 0 HZ PHE A 87 6.539 -4.442 -7.172 1.00 0.00 H new ATOM 1289 N LEU A 88 6.267 2.418 -2.260 1.00 0.00 N ATOM 1290 CA LEU A 88 5.868 3.782 -1.932 1.00 0.00 C ATOM 1291 C LEU A 88 7.067 4.724 -1.970 1.00 0.00 C ATOM 1292 O LEU A 88 6.909 5.945 -2.005 1.00 0.00 O ATOM 1293 CB LEU A 88 5.214 3.825 -0.550 1.00 0.00 C ATOM 1294 CG LEU A 88 3.824 3.196 -0.445 1.00 0.00 C ATOM 1295 CD1 LEU A 88 3.374 3.136 1.006 1.00 0.00 C ATOM 1296 CD2 LEU A 88 2.822 3.975 -1.284 1.00 0.00 C ATOM 0 H LEU A 88 6.290 1.782 -1.463 1.00 0.00 H new ATOM 0 HA LEU A 88 5.146 4.113 -2.679 1.00 0.00 H new ATOM 0 HB2 LEU A 88 5.873 3.322 0.157 1.00 0.00 H new ATOM 0 HB3 LEU A 88 5.144 4.866 -0.235 1.00 0.00 H new ATOM 0 HG LEU A 88 3.877 2.178 -0.830 1.00 0.00 H new ATOM 0 HD11 LEU A 88 2.383 2.686 1.061 1.00 0.00 H new ATOM 0 HD12 LEU A 88 4.078 2.535 1.581 1.00 0.00 H new ATOM 0 HD13 LEU A 88 3.338 4.145 1.418 1.00 0.00 H new ATOM 0 HD21 LEU A 88 1.838 3.513 -1.198 1.00 0.00 H new ATOM 0 HD22 LEU A 88 2.772 5.004 -0.929 1.00 0.00 H new ATOM 0 HD23 LEU A 88 3.136 3.966 -2.328 1.00 0.00 H new ATOM 1308 N SER A 89 8.265 4.149 -1.964 1.00 0.00 N ATOM 1309 CA SER A 89 9.491 4.938 -1.996 1.00 0.00 C ATOM 1310 C SER A 89 10.045 5.023 -3.415 1.00 0.00 C ATOM 1311 O SER A 89 11.224 5.313 -3.615 1.00 0.00 O ATOM 1312 CB SER A 89 10.539 4.328 -1.063 1.00 0.00 C ATOM 1313 OG SER A 89 11.448 5.313 -0.604 1.00 0.00 O ATOM 0 H SER A 89 8.413 3.140 -1.937 1.00 0.00 H new ATOM 0 HA SER A 89 9.255 5.946 -1.656 1.00 0.00 H new ATOM 0 HB2 SER A 89 10.044 3.860 -0.212 1.00 0.00 H new ATOM 0 HB3 SER A 89 11.083 3.542 -1.587 1.00 0.00 H new ATOM 0 HG SER A 89 11.798 5.817 -1.368 1.00 0.00 H new ATOM 1319 N GLN A 90 9.185 4.769 -4.396 1.00 0.00 N ATOM 1320 CA GLN A 90 9.588 4.816 -5.796 1.00 0.00 C ATOM 1321 C GLN A 90 8.929 5.990 -6.513 1.00 0.00 C ATOM 1322 O GLN A 90 7.832 6.426 -6.163 1.00 0.00 O ATOM 1323 CB GLN A 90 9.226 3.506 -6.498 1.00 0.00 C ATOM 1324 CG GLN A 90 9.887 2.284 -5.883 1.00 0.00 C ATOM 1325 CD GLN A 90 11.395 2.296 -6.037 1.00 0.00 C ATOM 1326 OE1 GLN A 90 11.916 2.465 -7.140 1.00 0.00 O ATOM 1327 NE2 GLN A 90 12.105 2.117 -4.929 1.00 0.00 N ATOM 0 H GLN A 90 8.205 4.529 -4.247 1.00 0.00 H new ATOM 0 HA GLN A 90 10.669 4.952 -5.832 1.00 0.00 H new ATOM 0 HB2 GLN A 90 8.144 3.376 -6.471 1.00 0.00 H new ATOM 0 HB3 GLN A 90 9.513 3.574 -7.547 1.00 0.00 H new ATOM 0 HG2 GLN A 90 9.634 2.233 -4.824 1.00 0.00 H new ATOM 0 HG3 GLN A 90 9.485 1.385 -6.350 1.00 0.00 H new ATOM 0 HE21 GLN A 90 11.631 1.981 -4.036 1.00 0.00 H new ATOM 0 HE22 GLN A 90 13.124 2.116 -4.971 1.00 0.00 H new ATOM 1336 N PRO A 91 9.612 6.516 -7.541 1.00 0.00 N ATOM 1337 CA PRO A 91 9.111 7.646 -8.328 1.00 0.00 C ATOM 1338 C PRO A 91 7.913 7.266 -9.192 1.00 0.00 C ATOM 1339 O PRO A 91 7.107 8.119 -9.561 1.00 0.00 O ATOM 1340 CB PRO A 91 10.306 8.023 -9.208 1.00 0.00 C ATOM 1341 CG PRO A 91 11.104 6.769 -9.320 1.00 0.00 C ATOM 1342 CD PRO A 91 10.925 6.047 -8.013 1.00 0.00 C ATOM 0 HA PRO A 91 8.757 8.459 -7.694 1.00 0.00 H new ATOM 0 HB2 PRO A 91 9.981 8.375 -10.187 1.00 0.00 H new ATOM 0 HB3 PRO A 91 10.891 8.826 -8.759 1.00 0.00 H new ATOM 0 HG2 PRO A 91 10.757 6.159 -10.154 1.00 0.00 H new ATOM 0 HG3 PRO A 91 12.155 6.990 -9.503 1.00 0.00 H new ATOM 0 HD2 PRO A 91 10.941 4.965 -8.146 1.00 0.00 H new ATOM 0 HD3 PRO A 91 11.717 6.293 -7.306 1.00 0.00 H new ATOM 1350 N SER A 92 7.803 5.980 -9.510 1.00 0.00 N ATOM 1351 CA SER A 92 6.705 5.487 -10.333 1.00 0.00 C ATOM 1352 C SER A 92 6.008 4.308 -9.660 1.00 0.00 C ATOM 1353 O SER A 92 6.632 3.538 -8.929 1.00 0.00 O ATOM 1354 CB SER A 92 7.220 5.071 -11.712 1.00 0.00 C ATOM 1355 OG SER A 92 7.888 3.822 -11.651 1.00 0.00 O ATOM 0 H SER A 92 8.461 5.261 -9.210 1.00 0.00 H new ATOM 0 HA SER A 92 5.982 6.294 -10.452 1.00 0.00 H new ATOM 0 HB2 SER A 92 6.386 5.007 -12.411 1.00 0.00 H new ATOM 0 HB3 SER A 92 7.900 5.832 -12.095 1.00 0.00 H new ATOM 0 HG SER A 92 8.206 3.577 -12.545 1.00 0.00 H new ATOM 1361 N LEU A 93 4.711 4.174 -9.912 1.00 0.00 N ATOM 1362 CA LEU A 93 3.927 3.089 -9.332 1.00 0.00 C ATOM 1363 C LEU A 93 2.834 2.633 -10.292 1.00 0.00 C ATOM 1364 O LEU A 93 2.326 3.420 -11.090 1.00 0.00 O ATOM 1365 CB LEU A 93 3.305 3.535 -8.008 1.00 0.00 C ATOM 1366 CG LEU A 93 4.194 3.405 -6.770 1.00 0.00 C ATOM 1367 CD1 LEU A 93 3.761 4.389 -5.695 1.00 0.00 C ATOM 1368 CD2 LEU A 93 4.160 1.980 -6.237 1.00 0.00 C ATOM 0 H LEU A 93 4.180 4.803 -10.514 1.00 0.00 H new ATOM 0 HA LEU A 93 4.596 2.249 -9.148 1.00 0.00 H new ATOM 0 HB2 LEU A 93 3.002 4.578 -8.105 1.00 0.00 H new ATOM 0 HB3 LEU A 93 2.398 2.954 -7.842 1.00 0.00 H new ATOM 0 HG LEU A 93 5.219 3.641 -7.056 1.00 0.00 H new ATOM 0 HD11 LEU A 93 4.405 4.281 -4.822 1.00 0.00 H new ATOM 0 HD12 LEU A 93 3.838 5.406 -6.080 1.00 0.00 H new ATOM 0 HD13 LEU A 93 2.728 4.186 -5.411 1.00 0.00 H new ATOM 0 HD21 LEU A 93 4.798 1.906 -5.356 1.00 0.00 H new ATOM 0 HD22 LEU A 93 3.137 1.717 -5.967 1.00 0.00 H new ATOM 0 HD23 LEU A 93 4.520 1.296 -7.005 1.00 0.00 H new ATOM 1380 N GLY A 94 2.474 1.356 -10.209 1.00 0.00 N ATOM 1381 CA GLY A 94 1.442 0.817 -11.075 1.00 0.00 C ATOM 1382 C GLY A 94 0.354 0.098 -10.302 1.00 0.00 C ATOM 1383 O GLY A 94 0.524 -1.055 -9.903 1.00 0.00 O ATOM 0 H GLY A 94 2.879 0.685 -9.557 1.00 0.00 H new ATOM 0 HA2 GLY A 94 0.998 1.627 -11.653 1.00 0.00 H new ATOM 0 HA3 GLY A 94 1.894 0.127 -11.788 1.00 0.00 H new ATOM 1387 N LEU A 95 -0.766 0.780 -10.088 1.00 0.00 N ATOM 1388 CA LEU A 95 -1.887 0.199 -9.356 1.00 0.00 C ATOM 1389 C LEU A 95 -2.943 -0.339 -10.315 1.00 0.00 C ATOM 1390 O LEU A 95 -3.075 0.138 -11.442 1.00 0.00 O ATOM 1391 CB LEU A 95 -2.509 1.243 -8.426 1.00 0.00 C ATOM 1392 CG LEU A 95 -1.549 1.940 -7.462 1.00 0.00 C ATOM 1393 CD1 LEU A 95 -2.201 3.176 -6.861 1.00 0.00 C ATOM 1394 CD2 LEU A 95 -1.105 0.983 -6.366 1.00 0.00 C ATOM 0 H LEU A 95 -0.922 1.735 -10.410 1.00 0.00 H new ATOM 0 HA LEU A 95 -1.509 -0.631 -8.759 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -2.993 2.004 -9.039 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -3.292 0.759 -7.841 1.00 0.00 H new ATOM 0 HG LEU A 95 -0.668 2.254 -8.021 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -1.503 3.659 -6.177 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -2.468 3.870 -7.658 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -3.099 2.885 -6.317 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -0.422 1.497 -5.689 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -1.976 0.638 -5.809 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -0.598 0.128 -6.813 1.00 0.00 H new ATOM 1406 N LEU A 96 -3.696 -1.335 -9.859 1.00 0.00 N ATOM 1407 CA LEU A 96 -4.744 -1.937 -10.675 1.00 0.00 C ATOM 1408 C LEU A 96 -6.072 -1.961 -9.926 1.00 0.00 C ATOM 1409 O LEU A 96 -6.300 -2.819 -9.072 1.00 0.00 O ATOM 1410 CB LEU A 96 -4.348 -3.358 -11.081 1.00 0.00 C ATOM 1411 CG LEU A 96 -5.301 -4.072 -12.041 1.00 0.00 C ATOM 1412 CD1 LEU A 96 -5.074 -3.599 -13.468 1.00 0.00 C ATOM 1413 CD2 LEU A 96 -5.125 -5.581 -11.942 1.00 0.00 C ATOM 0 H LEU A 96 -3.600 -1.742 -8.929 1.00 0.00 H new ATOM 0 HA LEU A 96 -4.866 -1.330 -11.572 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -3.361 -3.321 -11.541 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -4.256 -3.960 -10.177 1.00 0.00 H new ATOM 0 HG LEU A 96 -6.324 -3.826 -11.758 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -5.761 -4.118 -14.137 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -5.251 -2.525 -13.528 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -4.047 -3.815 -13.764 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -5.811 -6.073 -12.632 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -4.099 -5.845 -12.199 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -5.339 -5.906 -10.924 1.00 0.00 H new ATOM 1425 N VAL A 97 -6.947 -1.015 -10.252 1.00 0.00 N ATOM 1426 CA VAL A 97 -8.255 -0.929 -9.612 1.00 0.00 C ATOM 1427 C VAL A 97 -9.376 -1.141 -10.623 1.00 0.00 C ATOM 1428 O VAL A 97 -9.166 -1.027 -11.831 1.00 0.00 O ATOM 1429 CB VAL A 97 -8.453 0.432 -8.920 1.00 0.00 C ATOM 1430 CG1 VAL A 97 -7.411 0.634 -7.831 1.00 0.00 C ATOM 1431 CG2 VAL A 97 -8.396 1.560 -9.939 1.00 0.00 C ATOM 0 H VAL A 97 -6.774 -0.297 -10.956 1.00 0.00 H new ATOM 0 HA VAL A 97 -8.293 -1.718 -8.861 1.00 0.00 H new ATOM 0 HB VAL A 97 -9.438 0.443 -8.453 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -7.567 1.601 -7.353 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -7.504 -0.157 -7.087 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -6.414 0.603 -8.271 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -8.538 2.515 -9.433 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -7.426 1.553 -10.436 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -9.184 1.421 -10.680 1.00 0.00 H new ATOM 1441 N ARG A 98 -10.567 -1.450 -10.121 1.00 0.00 N ATOM 1442 CA ARG A 98 -11.722 -1.679 -10.980 1.00 0.00 C ATOM 1443 C ARG A 98 -12.686 -0.497 -10.921 1.00 0.00 C ATOM 1444 O ARG A 98 -12.694 0.264 -9.953 1.00 0.00 O ATOM 1445 CB ARG A 98 -12.446 -2.962 -10.568 1.00 0.00 C ATOM 1446 CG ARG A 98 -11.850 -4.220 -11.179 1.00 0.00 C ATOM 1447 CD ARG A 98 -12.559 -5.470 -10.681 1.00 0.00 C ATOM 1448 NE ARG A 98 -12.056 -6.679 -11.329 1.00 0.00 N ATOM 1449 CZ ARG A 98 -12.726 -7.825 -11.368 1.00 0.00 C ATOM 1450 NH1 ARG A 98 -13.921 -7.918 -10.800 1.00 0.00 N ATOM 1451 NH2 ARG A 98 -12.202 -8.881 -11.976 1.00 0.00 N ATOM 0 H ARG A 98 -10.757 -1.547 -9.124 1.00 0.00 H new ATOM 0 HA ARG A 98 -11.365 -1.785 -12.005 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -12.423 -3.050 -9.482 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -13.494 -2.888 -10.860 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -11.922 -4.168 -12.265 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -10.790 -4.279 -10.932 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -12.428 -5.556 -9.602 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -13.629 -5.378 -10.866 1.00 0.00 H new ATOM 0 HE ARG A 98 -11.140 -6.641 -11.776 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -14.328 -7.108 -10.332 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -14.433 -8.799 -10.831 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -11.283 -8.813 -12.414 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -12.718 -9.761 -12.005 1.00 0.00 H new ATOM 1465 N THR A 99 -13.499 -0.350 -11.963 1.00 0.00 N ATOM 1466 CA THR A 99 -14.465 0.739 -12.031 1.00 0.00 C ATOM 1467 C THR A 99 -15.672 0.351 -12.877 1.00 0.00 C ATOM 1468 O THR A 99 -15.653 -0.663 -13.576 1.00 0.00 O ATOM 1469 CB THR A 99 -13.833 2.016 -12.614 1.00 0.00 C ATOM 1470 OG1 THR A 99 -14.702 3.134 -12.402 1.00 0.00 O ATOM 1471 CG2 THR A 99 -13.560 1.854 -14.102 1.00 0.00 C ATOM 0 H THR A 99 -13.507 -0.972 -12.771 1.00 0.00 H new ATOM 0 HA THR A 99 -14.789 0.937 -11.009 1.00 0.00 H new ATOM 0 HB THR A 99 -12.886 2.191 -12.104 1.00 0.00 H new ATOM 0 HG1 THR A 99 -14.292 3.942 -12.774 1.00 0.00 H new ATOM 0 HG21 THR A 99 -13.114 2.769 -14.492 1.00 0.00 H new ATOM 0 HG22 THR A 99 -12.875 1.021 -14.258 1.00 0.00 H new ATOM 0 HG23 THR A 99 -14.496 1.656 -14.624 1.00 0.00 H new ATOM 1479 N TYR A 100 -16.721 1.164 -12.812 1.00 0.00 N ATOM 1480 CA TYR A 100 -17.938 0.904 -13.572 1.00 0.00 C ATOM 1481 C TYR A 100 -17.825 1.461 -14.988 1.00 0.00 C ATOM 1482 O TYR A 100 -17.324 2.563 -15.212 1.00 0.00 O ATOM 1483 CB TYR A 100 -19.146 1.520 -12.865 1.00 0.00 C ATOM 1484 CG TYR A 100 -19.164 1.276 -11.373 1.00 0.00 C ATOM 1485 CD1 TYR A 100 -18.518 2.142 -10.500 1.00 0.00 C ATOM 1486 CD2 TYR A 100 -19.828 0.180 -10.837 1.00 0.00 C ATOM 1487 CE1 TYR A 100 -18.531 1.923 -9.136 1.00 0.00 C ATOM 1488 CE2 TYR A 100 -19.848 -0.047 -9.474 1.00 0.00 C ATOM 1489 CZ TYR A 100 -19.197 0.827 -8.628 1.00 0.00 C ATOM 1490 OH TYR A 100 -19.214 0.606 -7.270 1.00 0.00 O ATOM 0 H TYR A 100 -16.753 2.008 -12.241 1.00 0.00 H new ATOM 0 HA TYR A 100 -18.073 -0.176 -13.635 1.00 0.00 H new ATOM 0 HB2 TYR A 100 -19.155 2.594 -13.049 1.00 0.00 H new ATOM 0 HB3 TYR A 100 -20.058 1.114 -13.302 1.00 0.00 H new ATOM 0 HD1 TYR A 100 -17.996 3.002 -10.894 1.00 0.00 H new ATOM 0 HD2 TYR A 100 -20.337 -0.507 -11.497 1.00 0.00 H new ATOM 0 HE1 TYR A 100 -18.023 2.606 -8.471 1.00 0.00 H new ATOM 0 HE2 TYR A 100 -20.370 -0.903 -9.073 1.00 0.00 H new ATOM 0 HH TYR A 100 -19.726 -0.207 -7.077 1.00 0.00 H new