USER MOD reduce.3.24.130724 H: found=0, std=0, add=739, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 739 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 67 ASN :FLIP amide:sc= 0 X(o=-0.067,f=0) USER MOD Set 1.2: A 68 HIS :FLIP no HD1:sc= 0 F(o=-0.65,f=0) USER MOD Set 2.1: A 33 THR OG1 : rot -60:sc= 1.13 USER MOD Set 2.2: A 75 THR OG1 : rot 180:sc= 1.04 USER MOD Set 3.1: A 28 THR OG1 : rot -51:sc= 0.261 USER MOD Set 3.2: A 31 SER OG : rot 31:sc= 0.292 USER MOD Set 4.1: A 25 THR OG1 : rot -119:sc= 0.37 USER MOD Set 4.2: A 35 SER OG : rot -148:sc= 0.341 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= -0.259 K(o=-0.26,f=-3!) USER MOD Single : A 37 GLN : amide:sc= -0.699 K(o=-0.7,f=-7.4!) USER MOD Single : A 40 THR OG1 : rot 180:sc= -0.079 USER MOD Single : A 43 THR OG1 : rot 170:sc= 0.0332 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 49 TYR OH : rot 180:sc=-0.00262 USER MOD Single : A 55 SER OG : rot -143:sc= 0.711 USER MOD Single : A 56 GLN : amide:sc= 0 K(o=0,f=-0.61) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= -0.162 K(o=-0.16,f=-1.1) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0.0297 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 THR OG1 : rot -112:sc= 1.23 USER MOD Single : A 72 THR OG1 : rot 40:sc= 0.0577 USER MOD Single : A 74 TYR OH : rot 147:sc= 0.657 USER MOD Single : A 82 ASN : amide:sc= 1.18 K(o=1.2,f=-0.12) USER MOD Single : A 83 THR OG1 : rot 78:sc= 1.21 USER MOD Single : A 85 TYR OH : rot 180:sc= 0.007 USER MOD Single : A 88 MET CE :methyl 175:sc= 0 (180deg=-0.0463) USER MOD Single : A 93 ASN : amide:sc= -0.164 K(o=-0.16,f=-11!) USER MOD Single : A 95 GLN : amide:sc= -0.195 K(o=-0.2,f=-3!) USER MOD Single : A 98 SER OG : rot 75:sc= 1.09 USER MOD Single : A 101 SER OG : rot 130:sc= 0.737 USER MOD Single : A 103 MET CE :methyl 169:sc= 0 (180deg=-0.0922) USER MOD Single : A 104 SER OG : rot 67:sc= 1.13 USER MOD Single : A 109 THR OG1 : rot -174:sc= 1.98 USER MOD Single : A 110 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 177 N LEU A 15 9.625 -0.247 -2.268 1.00 0.00 N ATOM 178 CA LEU A 15 8.206 0.045 -2.429 1.00 0.00 C ATOM 179 C LEU A 15 7.903 1.425 -1.813 1.00 0.00 C ATOM 180 O LEU A 15 8.679 1.899 -0.971 1.00 0.00 O ATOM 181 CB LEU A 15 7.384 -1.098 -1.797 1.00 0.00 C ATOM 182 CG LEU A 15 7.560 -2.466 -2.492 1.00 0.00 C ATOM 183 CD1 LEU A 15 7.016 -3.588 -1.614 1.00 0.00 C ATOM 184 CD2 LEU A 15 6.848 -2.501 -3.842 1.00 0.00 C ATOM 0 HA LEU A 15 7.927 0.097 -3.481 1.00 0.00 H new ATOM 0 HB2 LEU A 15 7.667 -1.197 -0.749 1.00 0.00 H new ATOM 0 HB3 LEU A 15 6.329 -0.826 -1.818 1.00 0.00 H new ATOM 0 HG LEU A 15 8.628 -2.611 -2.653 1.00 0.00 H new ATOM 0 HD11 LEU A 15 7.149 -4.544 -2.121 1.00 0.00 H new ATOM 0 HD12 LEU A 15 7.554 -3.602 -0.666 1.00 0.00 H new ATOM 0 HD13 LEU A 15 5.955 -3.421 -1.426 1.00 0.00 H new ATOM 0 HD21 LEU A 15 6.992 -3.478 -4.304 1.00 0.00 H new ATOM 0 HD22 LEU A 15 5.783 -2.322 -3.696 1.00 0.00 H new ATOM 0 HD23 LEU A 15 7.260 -1.728 -4.491 1.00 0.00 H new ATOM 196 N PRO A 16 6.822 2.111 -2.234 1.00 0.00 N ATOM 197 CA PRO A 16 6.496 3.456 -1.767 1.00 0.00 C ATOM 198 C PRO A 16 5.909 3.431 -0.355 1.00 0.00 C ATOM 199 O PRO A 16 5.488 2.379 0.132 1.00 0.00 O ATOM 200 CB PRO A 16 5.490 4.020 -2.774 1.00 0.00 C ATOM 201 CG PRO A 16 4.915 2.813 -3.515 1.00 0.00 C ATOM 202 CD PRO A 16 5.843 1.643 -3.202 1.00 0.00 C ATOM 0 HA PRO A 16 7.389 4.078 -1.708 1.00 0.00 H new ATOM 0 HB2 PRO A 16 4.703 4.579 -2.268 1.00 0.00 H new ATOM 0 HB3 PRO A 16 5.975 4.708 -3.466 1.00 0.00 H new ATOM 0 HG2 PRO A 16 3.897 2.602 -3.186 1.00 0.00 H new ATOM 0 HG3 PRO A 16 4.871 2.999 -4.588 1.00 0.00 H new ATOM 0 HD2 PRO A 16 5.278 0.802 -2.800 1.00 0.00 H new ATOM 0 HD3 PRO A 16 6.337 1.292 -4.108 1.00 0.00 H new ATOM 210 N GLY A 17 5.853 4.587 0.313 1.00 0.00 N ATOM 211 CA GLY A 17 5.273 4.692 1.641 1.00 0.00 C ATOM 212 C GLY A 17 3.756 4.484 1.593 1.00 0.00 C ATOM 213 O GLY A 17 3.126 4.852 0.594 1.00 0.00 O ATOM 0 H GLY A 17 6.209 5.469 -0.056 1.00 0.00 H new ATOM 0 HA2 GLY A 17 5.725 3.950 2.299 1.00 0.00 H new ATOM 0 HA3 GLY A 17 5.497 5.672 2.063 1.00 0.00 H new ATOM 217 N PRO A 18 3.151 3.943 2.662 1.00 0.00 N ATOM 218 CA PRO A 18 1.721 3.668 2.719 1.00 0.00 C ATOM 219 C PRO A 18 0.915 4.974 2.780 1.00 0.00 C ATOM 220 O PRO A 18 1.323 5.894 3.504 1.00 0.00 O ATOM 221 CB PRO A 18 1.512 2.839 3.989 1.00 0.00 C ATOM 222 CG PRO A 18 2.700 3.197 4.873 1.00 0.00 C ATOM 223 CD PRO A 18 3.815 3.486 3.870 1.00 0.00 C ATOM 0 HA PRO A 18 1.379 3.136 1.831 1.00 0.00 H new ATOM 0 HB2 PRO A 18 0.567 3.085 4.474 1.00 0.00 H new ATOM 0 HB3 PRO A 18 1.488 1.772 3.768 1.00 0.00 H new ATOM 0 HG2 PRO A 18 2.488 4.064 5.499 1.00 0.00 H new ATOM 0 HG3 PRO A 18 2.964 2.378 5.542 1.00 0.00 H new ATOM 0 HD2 PRO A 18 4.498 4.245 4.252 1.00 0.00 H new ATOM 0 HD3 PRO A 18 4.408 2.592 3.676 1.00 0.00 H new ATOM 231 N PRO A 19 -0.237 5.065 2.092 1.00 0.00 N ATOM 232 CA PRO A 19 -1.144 6.190 2.265 1.00 0.00 C ATOM 233 C PRO A 19 -1.728 6.186 3.682 1.00 0.00 C ATOM 234 O PRO A 19 -1.782 5.150 4.347 1.00 0.00 O ATOM 235 CB PRO A 19 -2.232 6.035 1.200 1.00 0.00 C ATOM 236 CG PRO A 19 -2.107 4.601 0.678 1.00 0.00 C ATOM 237 CD PRO A 19 -0.871 3.997 1.335 1.00 0.00 C ATOM 0 HA PRO A 19 -0.633 7.145 2.145 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -3.221 6.212 1.623 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -2.096 6.757 0.395 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -2.997 4.022 0.924 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -2.011 4.592 -0.408 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -1.146 3.169 1.989 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -0.189 3.597 0.584 1.00 0.00 H new ATOM 245 N SER A 20 -2.183 7.347 4.140 1.00 0.00 N ATOM 246 CA SER A 20 -2.864 7.477 5.418 1.00 0.00 C ATOM 247 C SER A 20 -4.328 7.045 5.293 1.00 0.00 C ATOM 248 O SER A 20 -4.826 6.787 4.193 1.00 0.00 O ATOM 249 CB SER A 20 -2.734 8.925 5.885 1.00 0.00 C ATOM 250 OG SER A 20 -1.474 9.123 6.495 1.00 0.00 O ATOM 0 H SER A 20 -2.088 8.226 3.632 1.00 0.00 H new ATOM 0 HA SER A 20 -2.408 6.823 6.161 1.00 0.00 H new ATOM 0 HB2 SER A 20 -2.848 9.601 5.038 1.00 0.00 H new ATOM 0 HB3 SER A 20 -3.530 9.162 6.591 1.00 0.00 H new ATOM 0 HG SER A 20 -1.396 10.054 6.791 1.00 0.00 H new ATOM 256 N LYS A 21 -5.022 6.942 6.434 1.00 0.00 N ATOM 257 CA LYS A 21 -6.415 6.526 6.489 1.00 0.00 C ATOM 258 C LYS A 21 -7.255 7.469 5.619 1.00 0.00 C ATOM 259 O LYS A 21 -7.287 8.668 5.915 1.00 0.00 O ATOM 260 CB LYS A 21 -6.891 6.595 7.941 1.00 0.00 C ATOM 261 CG LYS A 21 -8.267 5.943 8.151 1.00 0.00 C ATOM 262 CD LYS A 21 -8.606 6.072 9.636 1.00 0.00 C ATOM 263 CE LYS A 21 -10.064 5.795 9.979 1.00 0.00 C ATOM 264 NZ LYS A 21 -10.401 6.404 11.287 1.00 0.00 N ATOM 0 H LYS A 21 -4.622 7.149 7.349 1.00 0.00 H new ATOM 0 HA LYS A 21 -6.521 5.507 6.118 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -6.160 6.102 8.582 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -6.937 7.638 8.254 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -9.023 6.435 7.540 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -8.246 4.895 7.851 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -7.976 5.384 10.200 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -8.353 7.079 9.967 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -10.712 6.200 9.202 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -10.240 4.720 10.013 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -11.397 6.210 11.514 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -9.793 5.998 12.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -10.250 7.432 11.241 1.00 0.00 H new ATOM 278 N PRO A 22 -7.987 6.976 4.607 1.00 0.00 N ATOM 279 CA PRO A 22 -8.883 7.819 3.839 1.00 0.00 C ATOM 280 C PRO A 22 -10.001 8.320 4.741 1.00 0.00 C ATOM 281 O PRO A 22 -10.350 7.682 5.740 1.00 0.00 O ATOM 282 CB PRO A 22 -9.435 6.931 2.721 1.00 0.00 C ATOM 283 CG PRO A 22 -9.398 5.537 3.337 1.00 0.00 C ATOM 284 CD PRO A 22 -8.188 5.578 4.275 1.00 0.00 C ATOM 0 HA PRO A 22 -8.381 8.694 3.427 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -10.447 7.220 2.439 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -8.824 6.990 1.820 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -10.317 5.316 3.880 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -9.286 4.766 2.574 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -8.369 4.986 5.172 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -7.305 5.161 3.791 1.00 0.00 H new ATOM 292 N GLN A 23 -10.591 9.442 4.346 1.00 0.00 N ATOM 293 CA GLN A 23 -11.793 9.980 4.971 1.00 0.00 C ATOM 294 C GLN A 23 -12.854 10.124 3.925 1.00 0.00 C ATOM 295 O GLN A 23 -12.647 10.743 2.880 1.00 0.00 O ATOM 296 CB GLN A 23 -11.531 11.300 5.709 1.00 0.00 C ATOM 297 CG GLN A 23 -10.472 10.985 6.768 1.00 0.00 C ATOM 298 CD GLN A 23 -10.674 11.589 8.149 1.00 0.00 C ATOM 299 OE1 GLN A 23 -10.110 12.630 8.488 1.00 0.00 O ATOM 300 NE2 GLN A 23 -11.363 10.853 9.004 1.00 0.00 N ATOM 0 H GLN A 23 -10.244 10.010 3.573 1.00 0.00 H new ATOM 0 HA GLN A 23 -12.133 9.284 5.738 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -11.179 12.069 5.021 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -12.444 11.678 6.170 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -10.414 9.902 6.877 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -9.506 11.319 6.390 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -11.818 9.996 8.689 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -11.440 11.142 9.979 1.00 0.00 H new ATOM 309 N VAL A 24 -13.983 9.504 4.203 1.00 0.00 N ATOM 310 CA VAL A 24 -15.148 9.636 3.419 1.00 0.00 C ATOM 311 C VAL A 24 -15.607 11.093 3.461 1.00 0.00 C ATOM 312 O VAL A 24 -15.396 11.807 4.448 1.00 0.00 O ATOM 313 CB VAL A 24 -16.165 8.648 3.980 1.00 0.00 C ATOM 314 CG1 VAL A 24 -15.698 7.187 3.917 1.00 0.00 C ATOM 315 CG2 VAL A 24 -16.705 9.007 5.362 1.00 0.00 C ATOM 0 H VAL A 24 -14.097 8.884 5.005 1.00 0.00 H new ATOM 0 HA VAL A 24 -14.992 9.401 2.366 1.00 0.00 H new ATOM 0 HB VAL A 24 -17.011 8.742 3.300 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -16.470 6.540 4.333 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -15.511 6.909 2.880 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -14.780 7.073 4.494 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -17.421 8.250 5.681 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -15.881 9.051 6.074 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -17.199 9.978 5.319 1.00 0.00 H new ATOM 325 N THR A 25 -16.259 11.518 2.398 1.00 0.00 N ATOM 326 CA THR A 25 -16.735 12.890 2.238 1.00 0.00 C ATOM 327 C THR A 25 -18.149 12.874 1.676 1.00 0.00 C ATOM 328 O THR A 25 -19.114 13.093 2.411 1.00 0.00 O ATOM 329 CB THR A 25 -15.740 13.718 1.395 1.00 0.00 C ATOM 330 OG1 THR A 25 -15.196 12.954 0.331 1.00 0.00 O ATOM 331 CG2 THR A 25 -14.588 14.227 2.260 1.00 0.00 C ATOM 0 H THR A 25 -16.480 10.916 1.605 1.00 0.00 H new ATOM 0 HA THR A 25 -16.784 13.387 3.207 1.00 0.00 H new ATOM 0 HB THR A 25 -16.299 14.559 0.985 1.00 0.00 H new ATOM 0 HG1 THR A 25 -14.223 12.898 0.433 1.00 0.00 H new ATOM 0 HG21 THR A 25 -13.900 14.807 1.645 1.00 0.00 H new ATOM 0 HG22 THR A 25 -14.982 14.857 3.057 1.00 0.00 H new ATOM 0 HG23 THR A 25 -14.059 13.380 2.696 1.00 0.00 H new ATOM 339 N ASP A 26 -18.278 12.597 0.385 1.00 0.00 N ATOM 340 CA ASP A 26 -19.557 12.345 -0.253 1.00 0.00 C ATOM 341 C ASP A 26 -19.963 10.921 0.094 1.00 0.00 C ATOM 342 O ASP A 26 -19.136 10.017 -0.010 1.00 0.00 O ATOM 343 CB ASP A 26 -19.405 12.472 -1.769 1.00 0.00 C ATOM 344 CG ASP A 26 -20.746 12.682 -2.453 1.00 0.00 C ATOM 345 OD1 ASP A 26 -21.287 13.800 -2.321 1.00 0.00 O ATOM 346 OD2 ASP A 26 -21.196 11.803 -3.220 1.00 0.00 O ATOM 0 H ASP A 26 -17.485 12.541 -0.254 1.00 0.00 H new ATOM 0 HA ASP A 26 -20.307 13.059 0.087 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -18.744 13.307 -2.000 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -18.932 11.573 -2.164 1.00 0.00 H new ATOM 351 N VAL A 27 -21.215 10.689 0.464 1.00 0.00 N ATOM 352 CA VAL A 27 -21.828 9.369 0.468 1.00 0.00 C ATOM 353 C VAL A 27 -23.269 9.548 0.001 1.00 0.00 C ATOM 354 O VAL A 27 -23.813 10.652 0.099 1.00 0.00 O ATOM 355 CB VAL A 27 -21.679 8.689 1.848 1.00 0.00 C ATOM 356 CG1 VAL A 27 -22.346 9.445 2.995 1.00 0.00 C ATOM 357 CG2 VAL A 27 -22.237 7.260 1.835 1.00 0.00 C ATOM 0 H VAL A 27 -21.845 11.428 0.776 1.00 0.00 H new ATOM 0 HA VAL A 27 -21.327 8.684 -0.216 1.00 0.00 H new ATOM 0 HB VAL A 27 -20.604 8.685 2.028 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -22.194 8.900 3.927 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -21.906 10.439 3.080 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -23.414 9.536 2.798 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -22.115 6.813 2.822 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -23.295 7.285 1.576 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -21.697 6.665 1.098 1.00 0.00 H new ATOM 367 N THR A 28 -23.880 8.480 -0.517 1.00 0.00 N ATOM 368 CA THR A 28 -25.217 8.604 -1.116 1.00 0.00 C ATOM 369 C THR A 28 -26.168 7.452 -0.845 1.00 0.00 C ATOM 370 O THR A 28 -27.205 7.666 -0.254 1.00 0.00 O ATOM 371 CB THR A 28 -25.087 8.775 -2.637 1.00 0.00 C ATOM 372 OG1 THR A 28 -24.211 7.783 -3.154 1.00 0.00 O ATOM 373 CG2 THR A 28 -24.522 10.111 -3.074 1.00 0.00 C ATOM 0 H THR A 28 -23.485 7.540 -0.536 1.00 0.00 H new ATOM 0 HA THR A 28 -25.656 9.477 -0.634 1.00 0.00 H new ATOM 0 HB THR A 28 -26.105 8.694 -3.017 1.00 0.00 H new ATOM 0 HG1 THR A 28 -23.379 7.780 -2.637 1.00 0.00 H new ATOM 0 HG21 THR A 28 -24.466 10.144 -4.162 1.00 0.00 H new ATOM 0 HG22 THR A 28 -25.169 10.913 -2.720 1.00 0.00 H new ATOM 0 HG23 THR A 28 -23.524 10.239 -2.655 1.00 0.00 H new ATOM 381 N LYS A 29 -25.878 6.252 -1.334 1.00 0.00 N ATOM 382 CA LYS A 29 -26.561 5.002 -1.055 1.00 0.00 C ATOM 383 C LYS A 29 -25.691 3.872 -1.607 1.00 0.00 C ATOM 384 O LYS A 29 -25.526 2.855 -0.945 1.00 0.00 O ATOM 385 CB LYS A 29 -27.981 5.022 -1.651 1.00 0.00 C ATOM 386 CG LYS A 29 -28.057 4.844 -3.163 1.00 0.00 C ATOM 387 CD LYS A 29 -29.101 5.718 -3.847 1.00 0.00 C ATOM 388 CE LYS A 29 -29.068 5.341 -5.326 1.00 0.00 C ATOM 389 NZ LYS A 29 -29.844 6.271 -6.167 1.00 0.00 N ATOM 0 H LYS A 29 -25.102 6.122 -1.983 1.00 0.00 H new ATOM 0 HA LYS A 29 -26.695 4.848 0.016 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -28.566 4.233 -1.179 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -28.453 5.969 -1.389 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -27.079 5.063 -3.592 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -28.275 3.799 -3.383 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -30.091 5.546 -3.423 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -28.874 6.775 -3.709 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -28.034 5.324 -5.669 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -29.462 4.332 -5.449 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -29.788 5.969 -7.161 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -30.838 6.270 -5.860 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -29.454 7.231 -6.074 1.00 0.00 H new ATOM 403 N ASN A 30 -25.074 4.074 -2.782 1.00 0.00 N ATOM 404 CA ASN A 30 -24.334 3.040 -3.503 1.00 0.00 C ATOM 405 C ASN A 30 -22.946 3.535 -3.888 1.00 0.00 C ATOM 406 O ASN A 30 -22.224 2.834 -4.597 1.00 0.00 O ATOM 407 CB ASN A 30 -25.089 2.568 -4.758 1.00 0.00 C ATOM 408 CG ASN A 30 -26.448 1.974 -4.438 1.00 0.00 C ATOM 409 OD1 ASN A 30 -26.687 1.475 -3.350 1.00 0.00 O ATOM 410 ND2 ASN A 30 -27.386 2.087 -5.352 1.00 0.00 N ATOM 0 H ASN A 30 -25.078 4.975 -3.260 1.00 0.00 H new ATOM 0 HA ASN A 30 -24.234 2.189 -2.829 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -25.217 3.410 -5.438 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -24.487 1.825 -5.281 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -28.331 1.755 -5.157 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -27.169 2.507 -6.256 1.00 0.00 H new ATOM 417 N SER A 31 -22.554 4.734 -3.457 1.00 0.00 N ATOM 418 CA SER A 31 -21.258 5.304 -3.768 1.00 0.00 C ATOM 419 C SER A 31 -20.813 6.274 -2.680 1.00 0.00 C ATOM 420 O SER A 31 -21.645 6.840 -1.964 1.00 0.00 O ATOM 421 CB SER A 31 -21.302 5.962 -5.152 1.00 0.00 C ATOM 422 OG SER A 31 -22.527 6.623 -5.411 1.00 0.00 O ATOM 0 H SER A 31 -23.138 5.337 -2.877 1.00 0.00 H new ATOM 0 HA SER A 31 -20.513 4.509 -3.798 1.00 0.00 H new ATOM 0 HB2 SER A 31 -20.484 6.678 -5.234 1.00 0.00 H new ATOM 0 HB3 SER A 31 -21.137 5.202 -5.915 1.00 0.00 H new ATOM 0 HG SER A 31 -22.898 6.965 -4.571 1.00 0.00 H new ATOM 428 N VAL A 32 -19.504 6.421 -2.516 1.00 0.00 N ATOM 429 CA VAL A 32 -18.884 7.175 -1.440 1.00 0.00 C ATOM 430 C VAL A 32 -17.521 7.649 -1.954 1.00 0.00 C ATOM 431 O VAL A 32 -16.765 6.856 -2.520 1.00 0.00 O ATOM 432 CB VAL A 32 -18.864 6.323 -0.142 1.00 0.00 C ATOM 433 CG1 VAL A 32 -18.358 4.896 -0.317 1.00 0.00 C ATOM 434 CG2 VAL A 32 -18.118 6.945 1.034 1.00 0.00 C ATOM 0 H VAL A 32 -18.824 6.003 -3.151 1.00 0.00 H new ATOM 0 HA VAL A 32 -19.444 8.067 -1.157 1.00 0.00 H new ATOM 0 HB VAL A 32 -19.928 6.296 0.095 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -18.381 4.381 0.644 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -18.995 4.369 -1.027 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -17.335 4.916 -0.693 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -18.163 6.272 1.890 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -17.077 7.112 0.757 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -18.580 7.897 1.296 1.00 0.00 H new ATOM 444 N THR A 33 -17.255 8.949 -1.852 1.00 0.00 N ATOM 445 CA THR A 33 -15.955 9.545 -2.132 1.00 0.00 C ATOM 446 C THR A 33 -15.046 9.282 -0.934 1.00 0.00 C ATOM 447 O THR A 33 -15.510 9.219 0.205 1.00 0.00 O ATOM 448 CB THR A 33 -16.107 11.045 -2.444 1.00 0.00 C ATOM 449 OG1 THR A 33 -16.950 11.213 -3.573 1.00 0.00 O ATOM 450 CG2 THR A 33 -14.786 11.751 -2.773 1.00 0.00 C ATOM 0 H THR A 33 -17.956 9.632 -1.565 1.00 0.00 H new ATOM 0 HA THR A 33 -15.503 9.096 -3.017 1.00 0.00 H new ATOM 0 HB THR A 33 -16.518 11.489 -1.537 1.00 0.00 H new ATOM 0 HG1 THR A 33 -16.554 10.762 -4.347 1.00 0.00 H new ATOM 0 HG21 THR A 33 -14.978 12.804 -2.981 1.00 0.00 H new ATOM 0 HG22 THR A 33 -14.107 11.667 -1.924 1.00 0.00 H new ATOM 0 HG23 THR A 33 -14.333 11.285 -3.648 1.00 0.00 H new ATOM 458 N LEU A 34 -13.751 9.133 -1.200 1.00 0.00 N ATOM 459 CA LEU A 34 -12.698 8.855 -0.244 1.00 0.00 C ATOM 460 C LEU A 34 -11.597 9.872 -0.443 1.00 0.00 C ATOM 461 O LEU A 34 -11.249 10.167 -1.583 1.00 0.00 O ATOM 462 CB LEU A 34 -12.125 7.453 -0.506 1.00 0.00 C ATOM 463 CG LEU A 34 -13.044 6.311 -0.071 1.00 0.00 C ATOM 464 CD1 LEU A 34 -12.461 4.979 -0.559 1.00 0.00 C ATOM 465 CD2 LEU A 34 -13.163 6.286 1.451 1.00 0.00 C ATOM 0 H LEU A 34 -13.393 9.209 -2.152 1.00 0.00 H new ATOM 0 HA LEU A 34 -13.093 8.905 0.771 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -11.916 7.351 -1.571 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -11.173 7.358 0.016 1.00 0.00 H new ATOM 0 HG LEU A 34 -14.033 6.462 -0.503 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -13.113 4.162 -0.251 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -12.384 4.992 -1.646 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -11.471 4.835 -0.127 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -13.820 5.469 1.751 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -12.177 6.139 1.891 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -13.578 7.232 1.799 1.00 0.00 H new ATOM 477 N SER A 35 -11.047 10.356 0.668 1.00 0.00 N ATOM 478 CA SER A 35 -10.109 11.466 0.712 1.00 0.00 C ATOM 479 C SER A 35 -8.928 11.139 1.618 1.00 0.00 C ATOM 480 O SER A 35 -9.020 11.312 2.836 1.00 0.00 O ATOM 481 CB SER A 35 -10.843 12.754 1.139 1.00 0.00 C ATOM 482 OG SER A 35 -12.164 12.825 0.632 1.00 0.00 O ATOM 0 H SER A 35 -11.251 9.971 1.590 1.00 0.00 H new ATOM 0 HA SER A 35 -9.699 11.635 -0.284 1.00 0.00 H new ATOM 0 HB2 SER A 35 -10.873 12.806 2.227 1.00 0.00 H new ATOM 0 HB3 SER A 35 -10.279 13.620 0.794 1.00 0.00 H new ATOM 0 HG SER A 35 -12.402 13.762 0.469 1.00 0.00 H new ATOM 488 N TRP A 36 -7.824 10.643 1.056 1.00 0.00 N ATOM 489 CA TRP A 36 -6.630 10.279 1.818 1.00 0.00 C ATOM 490 C TRP A 36 -5.489 11.252 1.553 1.00 0.00 C ATOM 491 O TRP A 36 -5.562 12.118 0.682 1.00 0.00 O ATOM 492 CB TRP A 36 -6.209 8.830 1.536 1.00 0.00 C ATOM 493 CG TRP A 36 -5.866 8.478 0.122 1.00 0.00 C ATOM 494 CD1 TRP A 36 -4.626 8.406 -0.412 1.00 0.00 C ATOM 495 CD2 TRP A 36 -6.782 8.098 -0.942 1.00 0.00 C ATOM 496 NE1 TRP A 36 -4.711 8.014 -1.735 1.00 0.00 N ATOM 497 CE2 TRP A 36 -6.023 7.805 -2.111 1.00 0.00 C ATOM 498 CE3 TRP A 36 -8.184 7.970 -1.033 1.00 0.00 C ATOM 499 CZ2 TRP A 36 -6.629 7.418 -3.314 1.00 0.00 C ATOM 500 CZ3 TRP A 36 -8.804 7.600 -2.237 1.00 0.00 C ATOM 501 CH2 TRP A 36 -8.029 7.346 -3.383 1.00 0.00 C ATOM 0 H TRP A 36 -7.734 10.482 0.053 1.00 0.00 H new ATOM 0 HA TRP A 36 -6.880 10.347 2.877 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -5.344 8.602 2.160 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -7.017 8.175 1.860 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -3.708 8.622 0.115 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -3.909 7.895 -2.353 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -8.791 8.160 -0.160 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -6.026 7.178 -4.177 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -9.879 7.510 -2.283 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -8.511 7.096 -4.316 1.00 0.00 H new ATOM 512 N GLN A 37 -4.435 11.110 2.346 1.00 0.00 N ATOM 513 CA GLN A 37 -3.128 11.693 2.150 1.00 0.00 C ATOM 514 C GLN A 37 -2.262 10.564 1.594 1.00 0.00 C ATOM 515 O GLN A 37 -2.392 9.414 2.035 1.00 0.00 O ATOM 516 CB GLN A 37 -2.536 12.205 3.479 1.00 0.00 C ATOM 517 CG GLN A 37 -3.480 13.078 4.320 1.00 0.00 C ATOM 518 CD GLN A 37 -4.597 12.328 5.063 1.00 0.00 C ATOM 519 OE1 GLN A 37 -4.657 11.106 5.128 1.00 0.00 O ATOM 520 NE2 GLN A 37 -5.543 13.051 5.629 1.00 0.00 N ATOM 0 H GLN A 37 -4.480 10.547 3.196 1.00 0.00 H new ATOM 0 HA GLN A 37 -3.177 12.551 1.480 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -2.231 11.347 4.077 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -1.635 12.778 3.260 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -2.885 13.623 5.052 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -3.938 13.820 3.666 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -5.504 14.069 5.582 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -6.314 12.592 6.114 1.00 0.00 H new ATOM 529 N PRO A 38 -1.395 10.865 0.626 1.00 0.00 N ATOM 530 CA PRO A 38 -0.476 9.907 0.050 1.00 0.00 C ATOM 531 C PRO A 38 0.612 9.570 1.076 1.00 0.00 C ATOM 532 O PRO A 38 0.724 10.212 2.125 1.00 0.00 O ATOM 533 CB PRO A 38 0.067 10.619 -1.194 1.00 0.00 C ATOM 534 CG PRO A 38 0.021 12.103 -0.831 1.00 0.00 C ATOM 535 CD PRO A 38 -1.141 12.204 0.137 1.00 0.00 C ATOM 0 HA PRO A 38 -0.928 8.952 -0.219 1.00 0.00 H new ATOM 0 HB2 PRO A 38 1.083 10.297 -1.425 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -0.542 10.405 -2.072 1.00 0.00 H new ATOM 0 HG2 PRO A 38 0.953 12.431 -0.372 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -0.137 12.725 -1.712 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -0.901 12.877 0.960 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -2.023 12.608 -0.359 1.00 0.00 H new ATOM 543 N GLY A 39 1.434 8.571 0.775 1.00 0.00 N ATOM 544 CA GLY A 39 2.720 8.414 1.425 1.00 0.00 C ATOM 545 C GLY A 39 3.728 9.269 0.666 1.00 0.00 C ATOM 546 O GLY A 39 3.480 10.444 0.365 1.00 0.00 O ATOM 0 H GLY A 39 1.226 7.855 0.079 1.00 0.00 H new ATOM 0 HA2 GLY A 39 2.662 8.725 2.468 1.00 0.00 H new ATOM 0 HA3 GLY A 39 3.026 7.368 1.421 1.00 0.00 H new ATOM 550 N THR A 40 4.859 8.670 0.319 1.00 0.00 N ATOM 551 CA THR A 40 5.952 9.299 -0.398 1.00 0.00 C ATOM 552 C THR A 40 6.579 8.243 -1.327 1.00 0.00 C ATOM 553 O THR A 40 6.250 7.051 -1.225 1.00 0.00 O ATOM 554 CB THR A 40 6.895 9.937 0.654 1.00 0.00 C ATOM 555 OG1 THR A 40 6.943 11.337 0.470 1.00 0.00 O ATOM 556 CG2 THR A 40 8.318 9.392 0.716 1.00 0.00 C ATOM 0 H THR A 40 5.044 7.692 0.540 1.00 0.00 H new ATOM 0 HA THR A 40 5.650 10.115 -1.055 1.00 0.00 H new ATOM 0 HB THR A 40 6.449 9.661 1.609 1.00 0.00 H new ATOM 0 HG1 THR A 40 7.539 11.735 1.139 1.00 0.00 H new ATOM 0 HG21 THR A 40 8.876 9.919 1.490 1.00 0.00 H new ATOM 0 HG22 THR A 40 8.290 8.328 0.950 1.00 0.00 H new ATOM 0 HG23 THR A 40 8.806 9.539 -0.247 1.00 0.00 H new ATOM 564 N PRO A 41 7.407 8.675 -2.287 1.00 0.00 N ATOM 565 CA PRO A 41 8.289 7.839 -3.097 1.00 0.00 C ATOM 566 C PRO A 41 9.465 7.320 -2.242 1.00 0.00 C ATOM 567 O PRO A 41 9.315 7.064 -1.046 1.00 0.00 O ATOM 568 CB PRO A 41 8.706 8.766 -4.252 1.00 0.00 C ATOM 569 CG PRO A 41 8.690 10.152 -3.622 1.00 0.00 C ATOM 570 CD PRO A 41 7.520 10.073 -2.669 1.00 0.00 C ATOM 0 HA PRO A 41 7.825 6.932 -3.484 1.00 0.00 H new ATOM 0 HB2 PRO A 41 9.694 8.511 -4.634 1.00 0.00 H new ATOM 0 HB3 PRO A 41 8.013 8.699 -5.090 1.00 0.00 H new ATOM 0 HG2 PRO A 41 9.622 10.370 -3.101 1.00 0.00 H new ATOM 0 HG3 PRO A 41 8.552 10.934 -4.369 1.00 0.00 H new ATOM 0 HD2 PRO A 41 7.685 10.704 -1.796 1.00 0.00 H new ATOM 0 HD3 PRO A 41 6.604 10.422 -3.146 1.00 0.00 H new ATOM 578 N GLY A 42 10.638 7.134 -2.841 1.00 0.00 N ATOM 579 CA GLY A 42 11.885 6.852 -2.157 1.00 0.00 C ATOM 580 C GLY A 42 12.773 6.149 -3.156 1.00 0.00 C ATOM 581 O GLY A 42 13.430 6.787 -3.974 1.00 0.00 O ATOM 0 H GLY A 42 10.744 7.178 -3.854 1.00 0.00 H new ATOM 0 HA2 GLY A 42 12.351 7.772 -1.804 1.00 0.00 H new ATOM 0 HA3 GLY A 42 11.714 6.225 -1.282 1.00 0.00 H new ATOM 585 N THR A 43 12.698 4.828 -3.151 1.00 0.00 N ATOM 586 CA THR A 43 13.314 3.938 -4.103 1.00 0.00 C ATOM 587 C THR A 43 12.739 4.190 -5.502 1.00 0.00 C ATOM 588 O THR A 43 13.476 4.474 -6.449 1.00 0.00 O ATOM 589 CB THR A 43 13.070 2.530 -3.543 1.00 0.00 C ATOM 590 OG1 THR A 43 11.703 2.340 -3.200 1.00 0.00 O ATOM 591 CG2 THR A 43 13.926 2.308 -2.285 1.00 0.00 C ATOM 0 H THR A 43 12.172 4.325 -2.436 1.00 0.00 H new ATOM 0 HA THR A 43 14.386 4.089 -4.229 1.00 0.00 H new ATOM 0 HB THR A 43 13.344 1.815 -4.319 1.00 0.00 H new ATOM 0 HG1 THR A 43 11.545 1.394 -2.997 1.00 0.00 H new ATOM 0 HG21 THR A 43 13.746 1.306 -1.895 1.00 0.00 H new ATOM 0 HG22 THR A 43 14.981 2.415 -2.539 1.00 0.00 H new ATOM 0 HG23 THR A 43 13.659 3.046 -1.528 1.00 0.00 H new ATOM 599 N LEU A 44 11.410 4.160 -5.632 1.00 0.00 N ATOM 600 CA LEU A 44 10.714 4.302 -6.906 1.00 0.00 C ATOM 601 C LEU A 44 9.549 5.290 -6.783 1.00 0.00 C ATOM 602 O LEU A 44 9.099 5.586 -5.669 1.00 0.00 O ATOM 603 CB LEU A 44 10.237 2.908 -7.348 1.00 0.00 C ATOM 604 CG LEU A 44 11.365 2.033 -7.917 1.00 0.00 C ATOM 605 CD1 LEU A 44 10.940 0.568 -7.923 1.00 0.00 C ATOM 606 CD2 LEU A 44 11.738 2.436 -9.344 1.00 0.00 C ATOM 0 H LEU A 44 10.780 4.034 -4.840 1.00 0.00 H new ATOM 0 HA LEU A 44 11.386 4.709 -7.661 1.00 0.00 H new ATOM 0 HB2 LEU A 44 9.786 2.399 -6.496 1.00 0.00 H new ATOM 0 HB3 LEU A 44 9.458 3.020 -8.102 1.00 0.00 H new ATOM 0 HG LEU A 44 12.234 2.177 -7.276 1.00 0.00 H new ATOM 0 HD11 LEU A 44 11.747 -0.043 -8.328 1.00 0.00 H new ATOM 0 HD12 LEU A 44 10.719 0.249 -6.904 1.00 0.00 H new ATOM 0 HD13 LEU A 44 10.050 0.450 -8.541 1.00 0.00 H new ATOM 0 HD21 LEU A 44 12.539 1.792 -9.706 1.00 0.00 H new ATOM 0 HD22 LEU A 44 10.867 2.331 -9.991 1.00 0.00 H new ATOM 0 HD23 LEU A 44 12.074 3.473 -9.353 1.00 0.00 H new ATOM 618 N PRO A 45 9.016 5.785 -7.915 1.00 0.00 N ATOM 619 CA PRO A 45 7.756 6.518 -7.970 1.00 0.00 C ATOM 620 C PRO A 45 6.573 5.583 -7.737 1.00 0.00 C ATOM 621 O PRO A 45 6.733 4.370 -7.612 1.00 0.00 O ATOM 622 CB PRO A 45 7.722 7.159 -9.359 1.00 0.00 C ATOM 623 CG PRO A 45 8.646 6.303 -10.227 1.00 0.00 C ATOM 624 CD PRO A 45 9.537 5.544 -9.253 1.00 0.00 C ATOM 0 HA PRO A 45 7.684 7.276 -7.190 1.00 0.00 H new ATOM 0 HB2 PRO A 45 6.709 7.173 -9.760 1.00 0.00 H new ATOM 0 HB3 PRO A 45 8.065 8.193 -9.322 1.00 0.00 H new ATOM 0 HG2 PRO A 45 8.073 5.617 -10.850 1.00 0.00 H new ATOM 0 HG3 PRO A 45 9.239 6.924 -10.898 1.00 0.00 H new ATOM 0 HD2 PRO A 45 9.535 4.478 -9.480 1.00 0.00 H new ATOM 0 HD3 PRO A 45 10.570 5.884 -9.331 1.00 0.00 H new ATOM 632 N ALA A 46 5.375 6.150 -7.646 1.00 0.00 N ATOM 633 CA ALA A 46 4.144 5.410 -7.448 1.00 0.00 C ATOM 634 C ALA A 46 3.404 5.385 -8.782 1.00 0.00 C ATOM 635 O ALA A 46 2.898 6.407 -9.250 1.00 0.00 O ATOM 636 CB ALA A 46 3.348 6.059 -6.322 1.00 0.00 C ATOM 0 H ALA A 46 5.235 7.158 -7.710 1.00 0.00 H new ATOM 0 HA ALA A 46 4.321 4.379 -7.143 1.00 0.00 H new ATOM 0 HB1 ALA A 46 2.421 5.508 -6.167 1.00 0.00 H new ATOM 0 HB2 ALA A 46 3.937 6.044 -5.405 1.00 0.00 H new ATOM 0 HB3 ALA A 46 3.117 7.091 -6.588 1.00 0.00 H new ATOM 642 N SER A 47 3.384 4.218 -9.409 1.00 0.00 N ATOM 643 CA SER A 47 2.739 3.904 -10.672 1.00 0.00 C ATOM 644 C SER A 47 1.247 4.266 -10.659 1.00 0.00 C ATOM 645 O SER A 47 0.765 4.956 -11.563 1.00 0.00 O ATOM 646 CB SER A 47 2.965 2.402 -10.892 1.00 0.00 C ATOM 647 OG SER A 47 4.234 2.126 -11.458 1.00 0.00 O ATOM 0 H SER A 47 3.856 3.404 -9.016 1.00 0.00 H new ATOM 0 HA SER A 47 3.162 4.489 -11.488 1.00 0.00 H new ATOM 0 HB2 SER A 47 2.873 1.880 -9.940 1.00 0.00 H new ATOM 0 HB3 SER A 47 2.185 2.012 -11.546 1.00 0.00 H new ATOM 0 HG SER A 47 4.335 1.159 -11.579 1.00 0.00 H new ATOM 653 N ALA A 48 0.497 3.785 -9.670 1.00 0.00 N ATOM 654 CA ALA A 48 -0.924 4.043 -9.488 1.00 0.00 C ATOM 655 C ALA A 48 -1.257 3.741 -8.022 1.00 0.00 C ATOM 656 O ALA A 48 -0.354 3.567 -7.205 1.00 0.00 O ATOM 657 CB ALA A 48 -1.740 3.173 -10.465 1.00 0.00 C ATOM 0 H ALA A 48 0.882 3.180 -8.945 1.00 0.00 H new ATOM 0 HA ALA A 48 -1.178 5.080 -9.706 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -2.803 3.369 -10.326 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -1.458 3.414 -11.490 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -1.537 2.120 -10.271 1.00 0.00 H new ATOM 663 N TYR A 49 -2.541 3.640 -7.697 1.00 0.00 N ATOM 664 CA TYR A 49 -3.079 3.219 -6.418 1.00 0.00 C ATOM 665 C TYR A 49 -4.146 2.156 -6.683 1.00 0.00 C ATOM 666 O TYR A 49 -4.727 2.086 -7.776 1.00 0.00 O ATOM 667 CB TYR A 49 -3.686 4.429 -5.671 1.00 0.00 C ATOM 668 CG TYR A 49 -2.701 5.441 -5.099 1.00 0.00 C ATOM 669 CD1 TYR A 49 -1.970 6.305 -5.942 1.00 0.00 C ATOM 670 CD2 TYR A 49 -2.548 5.545 -3.702 1.00 0.00 C ATOM 671 CE1 TYR A 49 -1.068 7.239 -5.397 1.00 0.00 C ATOM 672 CE2 TYR A 49 -1.680 6.501 -3.147 1.00 0.00 C ATOM 673 CZ TYR A 49 -0.928 7.343 -3.994 1.00 0.00 C ATOM 674 OH TYR A 49 -0.129 8.290 -3.435 1.00 0.00 O ATOM 0 H TYR A 49 -3.277 3.866 -8.366 1.00 0.00 H new ATOM 0 HA TYR A 49 -2.290 2.805 -5.790 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -4.353 4.952 -6.356 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -4.300 4.052 -4.853 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -2.103 6.250 -7.012 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -3.103 4.884 -3.052 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -0.485 7.874 -6.048 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -1.589 6.591 -2.075 1.00 0.00 H new ATOM 0 HH TYR A 49 -0.159 8.209 -2.459 1.00 0.00 H new ATOM 684 N ILE A 50 -4.462 1.370 -5.664 1.00 0.00 N ATOM 685 CA ILE A 50 -5.600 0.467 -5.571 1.00 0.00 C ATOM 686 C ILE A 50 -6.460 0.928 -4.393 1.00 0.00 C ATOM 687 O ILE A 50 -5.960 1.557 -3.459 1.00 0.00 O ATOM 688 CB ILE A 50 -5.087 -0.988 -5.476 1.00 0.00 C ATOM 689 CG1 ILE A 50 -4.912 -1.547 -6.901 1.00 0.00 C ATOM 690 CG2 ILE A 50 -5.970 -1.912 -4.638 1.00 0.00 C ATOM 691 CD1 ILE A 50 -4.120 -2.852 -6.915 1.00 0.00 C ATOM 0 H ILE A 50 -3.889 1.345 -4.821 1.00 0.00 H new ATOM 0 HA ILE A 50 -6.236 0.490 -6.456 1.00 0.00 H new ATOM 0 HB ILE A 50 -4.132 -0.957 -4.951 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -5.892 -1.714 -7.347 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -4.402 -0.808 -7.519 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -5.538 -2.913 -4.623 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -6.034 -1.529 -3.619 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -6.969 -1.954 -5.073 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -4.023 -3.207 -7.941 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -3.129 -2.681 -6.495 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -4.642 -3.601 -6.320 1.00 0.00 H new ATOM 703 N ILE A 51 -7.745 0.574 -4.432 1.00 0.00 N ATOM 704 CA ILE A 51 -8.655 0.677 -3.306 1.00 0.00 C ATOM 705 C ILE A 51 -9.317 -0.691 -3.213 1.00 0.00 C ATOM 706 O ILE A 51 -9.838 -1.192 -4.218 1.00 0.00 O ATOM 707 CB ILE A 51 -9.671 1.823 -3.505 1.00 0.00 C ATOM 708 CG1 ILE A 51 -8.930 3.160 -3.730 1.00 0.00 C ATOM 709 CG2 ILE A 51 -10.656 1.965 -2.325 1.00 0.00 C ATOM 710 CD1 ILE A 51 -9.853 4.257 -4.236 1.00 0.00 C ATOM 0 H ILE A 51 -8.186 0.199 -5.272 1.00 0.00 H new ATOM 0 HA ILE A 51 -8.142 0.927 -2.377 1.00 0.00 H new ATOM 0 HB ILE A 51 -10.260 1.569 -4.387 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -8.470 3.479 -2.795 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -8.123 3.009 -4.447 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -11.345 2.786 -2.523 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -11.219 1.039 -2.208 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -10.100 2.170 -1.410 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -9.283 5.175 -4.378 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -10.293 3.953 -5.186 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -10.645 4.430 -3.508 1.00 0.00 H new ATOM 722 N GLU A 52 -9.297 -1.285 -2.024 1.00 0.00 N ATOM 723 CA GLU A 52 -10.065 -2.484 -1.718 1.00 0.00 C ATOM 724 C GLU A 52 -11.197 -2.107 -0.774 1.00 0.00 C ATOM 725 O GLU A 52 -11.180 -1.024 -0.190 1.00 0.00 O ATOM 726 CB GLU A 52 -9.192 -3.589 -1.101 1.00 0.00 C ATOM 727 CG GLU A 52 -8.040 -4.002 -2.009 1.00 0.00 C ATOM 728 CD GLU A 52 -7.279 -5.189 -1.418 1.00 0.00 C ATOM 729 OE1 GLU A 52 -7.642 -6.344 -1.734 1.00 0.00 O ATOM 730 OE2 GLU A 52 -6.279 -4.983 -0.696 1.00 0.00 O ATOM 0 H GLU A 52 -8.742 -0.943 -1.240 1.00 0.00 H new ATOM 0 HA GLU A 52 -10.467 -2.887 -2.647 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -8.792 -3.241 -0.148 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -9.812 -4.460 -0.888 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -8.425 -4.265 -2.994 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -7.360 -3.161 -2.146 1.00 0.00 H new ATOM 737 N ALA A 53 -12.162 -3.004 -0.593 1.00 0.00 N ATOM 738 CA ALA A 53 -13.254 -2.862 0.353 1.00 0.00 C ATOM 739 C ALA A 53 -13.634 -4.264 0.846 1.00 0.00 C ATOM 740 O ALA A 53 -13.683 -5.189 0.034 1.00 0.00 O ATOM 741 CB ALA A 53 -14.425 -2.182 -0.376 1.00 0.00 C ATOM 0 H ALA A 53 -12.203 -3.876 -1.120 1.00 0.00 H new ATOM 0 HA ALA A 53 -12.979 -2.252 1.214 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -15.262 -2.062 0.312 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -14.109 -1.203 -0.738 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -14.735 -2.798 -1.220 1.00 0.00 H new ATOM 747 N PHE A 54 -13.916 -4.423 2.142 1.00 0.00 N ATOM 748 CA PHE A 54 -14.479 -5.632 2.743 1.00 0.00 C ATOM 749 C PHE A 54 -15.815 -5.273 3.363 1.00 0.00 C ATOM 750 O PHE A 54 -15.904 -4.313 4.130 1.00 0.00 O ATOM 751 CB PHE A 54 -13.534 -6.221 3.803 1.00 0.00 C ATOM 752 CG PHE A 54 -14.133 -7.224 4.782 1.00 0.00 C ATOM 753 CD1 PHE A 54 -14.940 -6.773 5.842 1.00 0.00 C ATOM 754 CD2 PHE A 54 -13.837 -8.597 4.695 1.00 0.00 C ATOM 755 CE1 PHE A 54 -15.450 -7.656 6.800 1.00 0.00 C ATOM 756 CE2 PHE A 54 -14.361 -9.494 5.645 1.00 0.00 C ATOM 757 CZ PHE A 54 -15.165 -9.026 6.700 1.00 0.00 C ATOM 0 H PHE A 54 -13.752 -3.684 2.826 1.00 0.00 H new ATOM 0 HA PHE A 54 -14.611 -6.393 1.974 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -12.705 -6.705 3.287 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -13.113 -5.396 4.378 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -15.171 -5.721 5.918 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -13.207 -8.963 3.898 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -16.059 -7.285 7.611 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -14.144 -10.549 5.563 1.00 0.00 H new ATOM 0 HZ PHE A 54 -15.561 -9.718 7.429 1.00 0.00 H new ATOM 767 N SER A 55 -16.848 -6.045 3.054 1.00 0.00 N ATOM 768 CA SER A 55 -18.188 -5.854 3.576 1.00 0.00 C ATOM 769 C SER A 55 -18.744 -7.240 3.886 1.00 0.00 C ATOM 770 O SER A 55 -18.955 -8.071 2.994 1.00 0.00 O ATOM 771 CB SER A 55 -19.069 -5.068 2.593 1.00 0.00 C ATOM 772 OG SER A 55 -18.500 -4.950 1.297 1.00 0.00 O ATOM 0 H SER A 55 -16.772 -6.839 2.418 1.00 0.00 H new ATOM 0 HA SER A 55 -18.172 -5.251 4.484 1.00 0.00 H new ATOM 0 HB2 SER A 55 -20.039 -5.559 2.513 1.00 0.00 H new ATOM 0 HB3 SER A 55 -19.249 -4.071 2.995 1.00 0.00 H new ATOM 0 HG SER A 55 -18.707 -4.066 0.928 1.00 0.00 H new ATOM 778 N GLN A 56 -18.952 -7.524 5.170 1.00 0.00 N ATOM 779 CA GLN A 56 -19.419 -8.831 5.603 1.00 0.00 C ATOM 780 C GLN A 56 -20.899 -9.070 5.274 1.00 0.00 C ATOM 781 O GLN A 56 -21.346 -10.209 5.160 1.00 0.00 O ATOM 782 CB GLN A 56 -19.098 -8.963 7.092 1.00 0.00 C ATOM 783 CG GLN A 56 -19.307 -10.380 7.638 1.00 0.00 C ATOM 784 CD GLN A 56 -18.425 -10.653 8.859 1.00 0.00 C ATOM 785 OE1 GLN A 56 -17.988 -9.732 9.545 1.00 0.00 O ATOM 786 NE2 GLN A 56 -18.179 -11.904 9.200 1.00 0.00 N ATOM 0 H GLN A 56 -18.802 -6.860 5.929 1.00 0.00 H new ATOM 0 HA GLN A 56 -18.902 -9.616 5.051 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -18.063 -8.666 7.260 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -19.724 -8.270 7.654 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -20.354 -10.515 7.908 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -19.083 -11.107 6.858 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -18.542 -12.669 8.631 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -17.626 -12.106 10.033 1.00 0.00 H new ATOM 795 N SER A 57 -21.653 -7.996 5.057 1.00 0.00 N ATOM 796 CA SER A 57 -23.024 -8.036 4.565 1.00 0.00 C ATOM 797 C SER A 57 -23.093 -8.189 3.029 1.00 0.00 C ATOM 798 O SER A 57 -24.189 -8.112 2.471 1.00 0.00 O ATOM 799 CB SER A 57 -23.758 -6.761 5.010 1.00 0.00 C ATOM 800 OG SER A 57 -23.282 -6.219 6.242 1.00 0.00 O ATOM 0 H SER A 57 -21.316 -7.048 5.224 1.00 0.00 H new ATOM 0 HA SER A 57 -23.509 -8.915 4.990 1.00 0.00 H new ATOM 0 HB2 SER A 57 -23.659 -6.006 4.230 1.00 0.00 H new ATOM 0 HB3 SER A 57 -24.821 -6.981 5.108 1.00 0.00 H new ATOM 0 HG SER A 57 -23.791 -5.411 6.462 1.00 0.00 H new ATOM 806 N VAL A 58 -21.957 -8.337 2.331 1.00 0.00 N ATOM 807 CA VAL A 58 -21.835 -8.371 0.869 1.00 0.00 C ATOM 808 C VAL A 58 -21.273 -9.750 0.506 1.00 0.00 C ATOM 809 O VAL A 58 -22.060 -10.644 0.194 1.00 0.00 O ATOM 810 CB VAL A 58 -20.993 -7.159 0.401 1.00 0.00 C ATOM 811 CG1 VAL A 58 -20.486 -7.179 -1.047 1.00 0.00 C ATOM 812 CG2 VAL A 58 -21.822 -5.878 0.593 1.00 0.00 C ATOM 0 H VAL A 58 -21.055 -8.441 2.795 1.00 0.00 H new ATOM 0 HA VAL A 58 -22.784 -8.263 0.344 1.00 0.00 H new ATOM 0 HB VAL A 58 -20.095 -7.203 1.017 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -19.912 -6.274 -1.244 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -19.851 -8.052 -1.198 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -21.335 -7.226 -1.729 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -21.240 -5.016 0.267 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -22.736 -5.944 0.002 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -22.079 -5.765 1.646 1.00 0.00 H new ATOM 822 N SER A 59 -19.958 -9.962 0.617 1.00 0.00 N ATOM 823 CA SER A 59 -19.301 -11.220 0.235 1.00 0.00 C ATOM 824 C SER A 59 -18.322 -11.726 1.296 1.00 0.00 C ATOM 825 O SER A 59 -17.804 -12.836 1.170 1.00 0.00 O ATOM 826 CB SER A 59 -18.600 -11.051 -1.117 1.00 0.00 C ATOM 827 OG SER A 59 -19.534 -10.568 -2.059 1.00 0.00 O ATOM 0 H SER A 59 -19.312 -9.260 0.978 1.00 0.00 H new ATOM 0 HA SER A 59 -20.078 -11.979 0.150 1.00 0.00 H new ATOM 0 HB2 SER A 59 -17.765 -10.357 -1.024 1.00 0.00 H new ATOM 0 HB3 SER A 59 -18.188 -12.004 -1.449 1.00 0.00 H new ATOM 0 HG SER A 59 -19.094 -10.455 -2.927 1.00 0.00 H new ATOM 833 N ASN A 60 -18.087 -10.949 2.364 1.00 0.00 N ATOM 834 CA ASN A 60 -17.166 -11.306 3.444 1.00 0.00 C ATOM 835 C ASN A 60 -15.763 -11.636 2.903 1.00 0.00 C ATOM 836 O ASN A 60 -15.118 -12.601 3.312 1.00 0.00 O ATOM 837 CB ASN A 60 -17.800 -12.415 4.302 1.00 0.00 C ATOM 838 CG ASN A 60 -17.037 -12.658 5.592 1.00 0.00 C ATOM 839 OD1 ASN A 60 -16.588 -11.721 6.229 1.00 0.00 O ATOM 840 ND2 ASN A 60 -16.968 -13.894 6.055 1.00 0.00 N ATOM 0 H ASN A 60 -18.539 -10.045 2.500 1.00 0.00 H new ATOM 0 HA ASN A 60 -17.005 -10.452 4.101 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -18.829 -12.144 4.538 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -17.837 -13.339 3.726 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -16.533 -14.076 6.960 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -17.349 -14.666 5.508 1.00 0.00 H new ATOM 847 N SER A 61 -15.297 -10.820 1.957 1.00 0.00 N ATOM 848 CA SER A 61 -13.959 -10.814 1.381 1.00 0.00 C ATOM 849 C SER A 61 -13.564 -9.354 1.190 1.00 0.00 C ATOM 850 O SER A 61 -14.442 -8.514 0.980 1.00 0.00 O ATOM 851 CB SER A 61 -13.976 -11.511 0.014 1.00 0.00 C ATOM 852 OG SER A 61 -14.033 -12.913 0.170 1.00 0.00 O ATOM 0 H SER A 61 -15.888 -10.097 1.547 1.00 0.00 H new ATOM 0 HA SER A 61 -13.257 -11.337 2.031 1.00 0.00 H new ATOM 0 HB2 SER A 61 -14.835 -11.169 -0.564 1.00 0.00 H new ATOM 0 HB3 SER A 61 -13.084 -11.239 -0.550 1.00 0.00 H new ATOM 0 HG SER A 61 -14.045 -13.340 -0.712 1.00 0.00 H new ATOM 858 N TRP A 62 -12.262 -9.064 1.224 1.00 0.00 N ATOM 859 CA TRP A 62 -11.732 -7.858 0.603 1.00 0.00 C ATOM 860 C TRP A 62 -11.798 -8.073 -0.902 1.00 0.00 C ATOM 861 O TRP A 62 -11.374 -9.136 -1.367 1.00 0.00 O ATOM 862 CB TRP A 62 -10.280 -7.608 1.030 1.00 0.00 C ATOM 863 CG TRP A 62 -10.116 -7.129 2.436 1.00 0.00 C ATOM 864 CD1 TRP A 62 -9.839 -7.876 3.530 1.00 0.00 C ATOM 865 CD2 TRP A 62 -10.324 -5.774 2.918 1.00 0.00 C ATOM 866 NE1 TRP A 62 -9.872 -7.070 4.654 1.00 0.00 N ATOM 867 CE2 TRP A 62 -10.223 -5.773 4.339 1.00 0.00 C ATOM 868 CE3 TRP A 62 -10.671 -4.565 2.286 1.00 0.00 C ATOM 869 CZ2 TRP A 62 -10.497 -4.629 5.105 1.00 0.00 C ATOM 870 CZ3 TRP A 62 -10.990 -3.426 3.045 1.00 0.00 C ATOM 871 CH2 TRP A 62 -10.908 -3.458 4.448 1.00 0.00 C ATOM 0 H TRP A 62 -11.559 -9.650 1.675 1.00 0.00 H new ATOM 0 HA TRP A 62 -12.313 -6.988 0.909 1.00 0.00 H new ATOM 0 HB2 TRP A 62 -9.715 -8.532 0.907 1.00 0.00 H new ATOM 0 HB3 TRP A 62 -9.839 -6.873 0.356 1.00 0.00 H new ATOM 0 HD1 TRP A 62 -9.626 -8.935 3.526 1.00 0.00 H new ATOM 0 HE1 TRP A 62 -9.663 -7.394 5.598 1.00 0.00 H new ATOM 0 HE3 TRP A 62 -10.692 -4.512 1.208 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 -10.394 -4.649 6.180 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 -11.300 -2.519 2.547 1.00 0.00 H new ATOM 0 HH2 TRP A 62 -11.162 -2.579 5.022 1.00 0.00 H new ATOM 882 N GLN A 63 -12.304 -7.088 -1.637 1.00 0.00 N ATOM 883 CA GLN A 63 -12.357 -7.064 -3.094 1.00 0.00 C ATOM 884 C GLN A 63 -11.690 -5.785 -3.547 1.00 0.00 C ATOM 885 O GLN A 63 -11.785 -4.776 -2.842 1.00 0.00 O ATOM 886 CB GLN A 63 -13.812 -7.062 -3.600 1.00 0.00 C ATOM 887 CG GLN A 63 -14.672 -8.066 -2.838 1.00 0.00 C ATOM 888 CD GLN A 63 -15.858 -8.571 -3.634 1.00 0.00 C ATOM 889 OE1 GLN A 63 -16.623 -7.796 -4.202 1.00 0.00 O ATOM 890 NE2 GLN A 63 -16.044 -9.880 -3.662 1.00 0.00 N ATOM 0 H GLN A 63 -12.705 -6.250 -1.216 1.00 0.00 H new ATOM 0 HA GLN A 63 -11.859 -7.949 -3.490 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -14.235 -6.063 -3.491 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -13.829 -7.301 -4.663 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -14.053 -8.914 -2.545 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -15.032 -7.602 -1.920 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -15.391 -10.498 -3.180 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -16.840 -10.271 -4.165 1.00 0.00 H new ATOM 899 N THR A 64 -11.110 -5.780 -4.741 1.00 0.00 N ATOM 900 CA THR A 64 -10.707 -4.515 -5.347 1.00 0.00 C ATOM 901 C THR A 64 -11.986 -3.782 -5.746 1.00 0.00 C ATOM 902 O THR A 64 -12.811 -4.336 -6.478 1.00 0.00 O ATOM 903 CB THR A 64 -9.773 -4.669 -6.566 1.00 0.00 C ATOM 904 OG1 THR A 64 -9.458 -6.010 -6.896 1.00 0.00 O ATOM 905 CG2 THR A 64 -8.495 -3.847 -6.369 1.00 0.00 C ATOM 0 H THR A 64 -10.912 -6.612 -5.297 1.00 0.00 H new ATOM 0 HA THR A 64 -10.123 -3.956 -4.616 1.00 0.00 H new ATOM 0 HB THR A 64 -10.334 -4.283 -7.417 1.00 0.00 H new ATOM 0 HG1 THR A 64 -8.866 -6.024 -7.677 1.00 0.00 H new ATOM 0 HG21 THR A 64 -7.848 -3.967 -7.238 1.00 0.00 H new ATOM 0 HG22 THR A 64 -8.754 -2.795 -6.252 1.00 0.00 H new ATOM 0 HG23 THR A 64 -7.973 -4.194 -5.477 1.00 0.00 H new ATOM 913 N VAL A 65 -12.143 -2.528 -5.328 1.00 0.00 N ATOM 914 CA VAL A 65 -13.235 -1.656 -5.769 1.00 0.00 C ATOM 915 C VAL A 65 -12.712 -0.513 -6.653 1.00 0.00 C ATOM 916 O VAL A 65 -13.509 0.270 -7.189 1.00 0.00 O ATOM 917 CB VAL A 65 -14.070 -1.191 -4.561 1.00 0.00 C ATOM 918 CG1 VAL A 65 -14.712 -2.399 -3.853 1.00 0.00 C ATOM 919 CG2 VAL A 65 -13.255 -0.352 -3.563 1.00 0.00 C ATOM 0 H VAL A 65 -11.509 -2.081 -4.665 1.00 0.00 H new ATOM 0 HA VAL A 65 -13.915 -2.220 -6.407 1.00 0.00 H new ATOM 0 HB VAL A 65 -14.856 -0.543 -4.950 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -15.298 -2.053 -3.002 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -15.362 -2.926 -4.551 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -13.930 -3.074 -3.504 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -13.894 -0.052 -2.733 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -12.422 -0.945 -3.184 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -12.870 0.536 -4.064 1.00 0.00 H new ATOM 929 N ALA A 66 -11.387 -0.427 -6.827 1.00 0.00 N ATOM 930 CA ALA A 66 -10.713 0.411 -7.798 1.00 0.00 C ATOM 931 C ALA A 66 -9.359 -0.220 -8.125 1.00 0.00 C ATOM 932 O ALA A 66 -8.547 -0.405 -7.211 1.00 0.00 O ATOM 933 CB ALA A 66 -10.491 1.802 -7.193 1.00 0.00 C ATOM 0 H ALA A 66 -10.734 -0.970 -6.262 1.00 0.00 H new ATOM 0 HA ALA A 66 -11.314 0.500 -8.703 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -9.984 2.438 -7.919 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -11.453 2.244 -6.933 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -9.878 1.715 -6.296 1.00 0.00 H new ATOM 939 N ASN A 67 -9.055 -0.446 -9.405 1.00 0.00 N ATOM 940 CA ASN A 67 -7.701 -0.749 -9.880 1.00 0.00 C ATOM 941 C ASN A 67 -7.199 0.381 -10.797 1.00 0.00 C ATOM 942 O ASN A 67 -7.977 0.917 -11.595 1.00 0.00 O ATOM 943 CB ASN A 67 -7.677 -2.124 -10.571 1.00 0.00 C ATOM 944 CG ASN A 67 -6.303 -2.465 -11.140 1.00 0.00 C ATOM 945 OD1 ASN A 67 -5.247 -2.400 -10.346 1.00 0.00 O flip ATOM 946 ND2 ASN A 67 -6.165 -2.771 -12.316 1.00 0.00 N flip ATOM 0 H ASN A 67 -9.750 -0.424 -10.151 1.00 0.00 H new ATOM 0 HA ASN A 67 -7.017 -0.805 -9.033 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -7.972 -2.892 -9.856 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -8.413 -2.137 -11.375 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -6.979 -2.821 -12.929 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -5.236 -2.976 -12.684 1.00 0.00 H new ATOM 953 N HIS A 68 -5.914 0.737 -10.656 1.00 0.00 N ATOM 954 CA HIS A 68 -5.214 1.886 -11.264 1.00 0.00 C ATOM 955 C HIS A 68 -5.931 3.245 -11.087 1.00 0.00 C ATOM 956 O HIS A 68 -6.376 3.870 -12.049 1.00 0.00 O ATOM 957 CB HIS A 68 -4.829 1.651 -12.743 1.00 0.00 C ATOM 958 CG HIS A 68 -3.669 0.719 -12.989 1.00 0.00 C ATOM 959 ND1 HIS A 68 -3.764 -0.635 -13.050 1.00 0.00 N flip ATOM 960 CD2 HIS A 68 -2.389 1.048 -13.382 1.00 0.00 C flip ATOM 961 CE1 HIS A 68 -2.541 -1.156 -13.479 1.00 0.00 C flip ATOM 962 NE2 HIS A 68 -1.732 -0.094 -13.651 1.00 0.00 N flip ATOM 0 H HIS A 68 -5.285 0.189 -10.069 1.00 0.00 H new ATOM 0 HA HIS A 68 -4.291 1.955 -10.688 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -5.701 1.258 -13.266 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -4.595 2.616 -13.194 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -1.985 2.047 -13.460 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -2.295 -2.195 -13.639 1.00 0.00 H new ATOM 0 HE2 HIS A 68 -0.757 -0.148 -13.944 1.00 0.00 H new ATOM 970 N VAL A 69 -5.964 3.768 -9.864 1.00 0.00 N ATOM 971 CA VAL A 69 -6.315 5.157 -9.561 1.00 0.00 C ATOM 972 C VAL A 69 -5.021 5.965 -9.575 1.00 0.00 C ATOM 973 O VAL A 69 -4.003 5.475 -9.096 1.00 0.00 O ATOM 974 CB VAL A 69 -7.026 5.206 -8.187 1.00 0.00 C ATOM 975 CG1 VAL A 69 -7.014 6.579 -7.506 1.00 0.00 C ATOM 976 CG2 VAL A 69 -8.493 4.810 -8.365 1.00 0.00 C ATOM 0 H VAL A 69 -5.741 3.223 -9.031 1.00 0.00 H new ATOM 0 HA VAL A 69 -7.001 5.580 -10.294 1.00 0.00 H new ATOM 0 HB VAL A 69 -6.468 4.519 -7.551 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -7.535 6.516 -6.551 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -5.984 6.893 -7.338 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -7.515 7.306 -8.145 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -8.998 4.843 -7.400 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -8.977 5.505 -9.052 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -8.551 3.800 -8.770 1.00 0.00 H new ATOM 986 N LYS A 70 -5.043 7.197 -10.090 1.00 0.00 N ATOM 987 CA LYS A 70 -3.888 8.096 -10.106 1.00 0.00 C ATOM 988 C LYS A 70 -4.195 9.439 -9.432 1.00 0.00 C ATOM 989 O LYS A 70 -3.702 10.479 -9.868 1.00 0.00 O ATOM 990 CB LYS A 70 -3.405 8.282 -11.549 1.00 0.00 C ATOM 991 CG LYS A 70 -3.240 6.993 -12.363 1.00 0.00 C ATOM 992 CD LYS A 70 -4.508 6.634 -13.157 1.00 0.00 C ATOM 993 CE LYS A 70 -4.128 5.525 -14.123 1.00 0.00 C ATOM 994 NZ LYS A 70 -5.102 5.371 -15.219 1.00 0.00 N ATOM 0 H LYS A 70 -5.877 7.603 -10.514 1.00 0.00 H new ATOM 0 HA LYS A 70 -3.087 7.641 -9.523 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -4.110 8.931 -12.069 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -2.448 8.803 -11.529 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -2.403 7.106 -13.052 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -2.991 6.172 -11.691 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -5.303 6.306 -12.487 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -4.884 7.503 -13.696 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -3.144 5.735 -14.543 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -4.048 4.585 -13.578 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -4.797 4.602 -15.849 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -6.037 5.144 -14.823 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -5.161 6.258 -15.758 1.00 0.00 H new ATOM 1008 N THR A 71 -5.051 9.440 -8.414 1.00 0.00 N ATOM 1009 CA THR A 71 -5.417 10.614 -7.630 1.00 0.00 C ATOM 1010 C THR A 71 -5.488 10.164 -6.165 1.00 0.00 C ATOM 1011 O THR A 71 -5.495 8.966 -5.878 1.00 0.00 O ATOM 1012 CB THR A 71 -6.703 11.287 -8.196 1.00 0.00 C ATOM 1013 OG1 THR A 71 -7.455 11.969 -7.205 1.00 0.00 O ATOM 1014 CG2 THR A 71 -7.687 10.353 -8.916 1.00 0.00 C ATOM 0 H THR A 71 -5.525 8.593 -8.102 1.00 0.00 H new ATOM 0 HA THR A 71 -4.675 11.410 -7.695 1.00 0.00 H new ATOM 0 HB THR A 71 -6.278 11.976 -8.926 1.00 0.00 H new ATOM 0 HG1 THR A 71 -8.308 11.507 -7.066 1.00 0.00 H new ATOM 0 HG21 THR A 71 -8.543 10.928 -9.268 1.00 0.00 H new ATOM 0 HG22 THR A 71 -7.190 9.886 -9.766 1.00 0.00 H new ATOM 0 HG23 THR A 71 -8.027 9.581 -8.226 1.00 0.00 H new ATOM 1022 N THR A 72 -5.507 11.118 -5.238 1.00 0.00 N ATOM 1023 CA THR A 72 -5.713 10.914 -3.803 1.00 0.00 C ATOM 1024 C THR A 72 -7.195 10.987 -3.403 1.00 0.00 C ATOM 1025 O THR A 72 -7.514 10.876 -2.218 1.00 0.00 O ATOM 1026 CB THR A 72 -4.885 11.957 -3.039 1.00 0.00 C ATOM 1027 OG1 THR A 72 -5.058 13.234 -3.634 1.00 0.00 O ATOM 1028 CG2 THR A 72 -3.394 11.598 -3.095 1.00 0.00 C ATOM 0 H THR A 72 -5.373 12.101 -5.476 1.00 0.00 H new ATOM 0 HA THR A 72 -5.383 9.908 -3.545 1.00 0.00 H new ATOM 0 HB THR A 72 -5.222 11.972 -2.003 1.00 0.00 H new ATOM 0 HG1 THR A 72 -5.996 13.349 -3.895 1.00 0.00 H new ATOM 0 HG21 THR A 72 -2.819 12.346 -2.549 1.00 0.00 H new ATOM 0 HG22 THR A 72 -3.238 10.619 -2.642 1.00 0.00 H new ATOM 0 HG23 THR A 72 -3.064 11.574 -4.134 1.00 0.00 H new ATOM 1036 N LEU A 73 -8.097 11.209 -4.368 1.00 0.00 N ATOM 1037 CA LEU A 73 -9.538 11.184 -4.178 1.00 0.00 C ATOM 1038 C LEU A 73 -10.162 10.348 -5.281 1.00 0.00 C ATOM 1039 O LEU A 73 -9.761 10.463 -6.441 1.00 0.00 O ATOM 1040 CB LEU A 73 -10.147 12.597 -4.121 1.00 0.00 C ATOM 1041 CG LEU A 73 -9.987 13.208 -2.716 1.00 0.00 C ATOM 1042 CD1 LEU A 73 -8.779 14.139 -2.549 1.00 0.00 C ATOM 1043 CD2 LEU A 73 -11.247 13.919 -2.250 1.00 0.00 C ATOM 0 H LEU A 73 -7.827 11.417 -5.329 1.00 0.00 H new ATOM 0 HA LEU A 73 -9.756 10.731 -3.211 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -9.661 13.237 -4.858 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -11.204 12.553 -4.385 1.00 0.00 H new ATOM 0 HG LEU A 73 -9.801 12.342 -2.081 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -8.751 14.519 -1.528 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -7.862 13.586 -2.756 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -8.864 14.974 -3.245 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -11.084 14.333 -1.255 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -11.487 14.725 -2.943 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -12.074 13.210 -2.217 1.00 0.00 H new ATOM 1055 N TYR A 74 -11.063 9.455 -4.876 1.00 0.00 N ATOM 1056 CA TYR A 74 -11.810 8.516 -5.707 1.00 0.00 C ATOM 1057 C TYR A 74 -13.186 8.306 -5.107 1.00 0.00 C ATOM 1058 O TYR A 74 -13.351 8.388 -3.891 1.00 0.00 O ATOM 1059 CB TYR A 74 -11.058 7.184 -5.788 1.00 0.00 C ATOM 1060 CG TYR A 74 -11.768 6.075 -6.549 1.00 0.00 C ATOM 1061 CD1 TYR A 74 -11.629 5.979 -7.945 1.00 0.00 C ATOM 1062 CD2 TYR A 74 -12.536 5.115 -5.861 1.00 0.00 C ATOM 1063 CE1 TYR A 74 -12.202 4.904 -8.648 1.00 0.00 C ATOM 1064 CE2 TYR A 74 -13.092 4.023 -6.552 1.00 0.00 C ATOM 1065 CZ TYR A 74 -12.923 3.908 -7.950 1.00 0.00 C ATOM 1066 OH TYR A 74 -13.382 2.809 -8.616 1.00 0.00 O ATOM 0 H TYR A 74 -11.306 9.363 -3.890 1.00 0.00 H new ATOM 0 HA TYR A 74 -11.915 8.919 -6.714 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -10.091 7.361 -6.258 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -10.861 6.836 -4.774 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -11.078 6.737 -8.482 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -12.699 5.218 -4.798 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -12.091 4.839 -9.720 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -13.649 3.271 -6.013 1.00 0.00 H new ATOM 0 HH TYR A 74 -13.367 2.033 -8.017 1.00 0.00 H new ATOM 1076 N THR A 75 -14.152 7.982 -5.956 1.00 0.00 N ATOM 1077 CA THR A 75 -15.500 7.623 -5.582 1.00 0.00 C ATOM 1078 C THR A 75 -15.711 6.146 -5.883 1.00 0.00 C ATOM 1079 O THR A 75 -15.696 5.721 -7.041 1.00 0.00 O ATOM 1080 CB THR A 75 -16.450 8.557 -6.318 1.00 0.00 C ATOM 1081 OG1 THR A 75 -16.198 9.867 -5.845 1.00 0.00 O ATOM 1082 CG2 THR A 75 -17.924 8.196 -6.089 1.00 0.00 C ATOM 0 H THR A 75 -14.004 7.963 -6.965 1.00 0.00 H new ATOM 0 HA THR A 75 -15.693 7.746 -4.516 1.00 0.00 H new ATOM 0 HB THR A 75 -16.275 8.472 -7.390 1.00 0.00 H new ATOM 0 HG1 THR A 75 -16.793 10.499 -6.300 1.00 0.00 H new ATOM 0 HG21 THR A 75 -18.559 8.893 -6.636 1.00 0.00 H new ATOM 0 HG22 THR A 75 -18.109 7.182 -6.443 1.00 0.00 H new ATOM 0 HG23 THR A 75 -18.152 8.256 -5.025 1.00 0.00 H new ATOM 1090 N VAL A 76 -15.878 5.372 -4.816 1.00 0.00 N ATOM 1091 CA VAL A 76 -16.326 3.993 -4.845 1.00 0.00 C ATOM 1092 C VAL A 76 -17.768 3.986 -5.340 1.00 0.00 C ATOM 1093 O VAL A 76 -18.532 4.883 -4.976 1.00 0.00 O ATOM 1094 CB VAL A 76 -16.241 3.433 -3.414 1.00 0.00 C ATOM 1095 CG1 VAL A 76 -16.541 1.931 -3.428 1.00 0.00 C ATOM 1096 CG2 VAL A 76 -14.850 3.636 -2.788 1.00 0.00 C ATOM 0 H VAL A 76 -15.696 5.707 -3.870 1.00 0.00 H new ATOM 0 HA VAL A 76 -15.713 3.379 -5.504 1.00 0.00 H new ATOM 0 HB VAL A 76 -16.973 3.977 -2.817 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -16.480 1.538 -2.413 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -17.543 1.764 -3.822 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -15.813 1.421 -4.059 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -14.842 3.224 -1.779 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -14.100 3.127 -3.394 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -14.621 4.701 -2.747 1.00 0.00 H new ATOM 1106 N ARG A 77 -18.169 2.982 -6.127 1.00 0.00 N ATOM 1107 CA ARG A 77 -19.538 2.833 -6.616 1.00 0.00 C ATOM 1108 C ARG A 77 -19.999 1.382 -6.498 1.00 0.00 C ATOM 1109 O ARG A 77 -19.294 0.538 -5.944 1.00 0.00 O ATOM 1110 CB ARG A 77 -19.627 3.375 -8.054 1.00 0.00 C ATOM 1111 CG ARG A 77 -19.311 4.870 -8.165 1.00 0.00 C ATOM 1112 CD ARG A 77 -19.246 5.300 -9.624 1.00 0.00 C ATOM 1113 NE ARG A 77 -19.353 6.759 -9.748 1.00 0.00 N ATOM 1114 CZ ARG A 77 -19.015 7.482 -10.820 1.00 0.00 C ATOM 1115 NH1 ARG A 77 -18.677 6.888 -11.957 1.00 0.00 N ATOM 1116 NH2 ARG A 77 -19.040 8.803 -10.739 1.00 0.00 N ATOM 0 H ARG A 77 -17.542 2.243 -6.444 1.00 0.00 H new ATOM 0 HA ARG A 77 -20.220 3.419 -5.999 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -18.936 2.818 -8.687 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -20.630 3.194 -8.440 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -20.075 5.448 -7.644 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -18.361 5.083 -7.675 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -18.308 4.962 -10.065 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -20.051 4.824 -10.183 1.00 0.00 H new ATOM 0 HE ARG A 77 -19.719 7.267 -8.943 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -18.673 5.870 -12.019 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -18.421 7.449 -12.769 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -19.315 9.255 -9.867 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -18.785 9.369 -11.549 1.00 0.00 H new ATOM 1130 N GLY A 78 -21.195 1.080 -7.001 1.00 0.00 N ATOM 1131 CA GLY A 78 -21.735 -0.273 -7.058 1.00 0.00 C ATOM 1132 C GLY A 78 -22.078 -0.851 -5.685 1.00 0.00 C ATOM 1133 O GLY A 78 -22.193 -2.073 -5.560 1.00 0.00 O ATOM 0 H GLY A 78 -21.825 1.783 -7.387 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -22.632 -0.272 -7.677 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -21.011 -0.924 -7.547 1.00 0.00 H new ATOM 1137 N LEU A 79 -22.214 -0.014 -4.653 1.00 0.00 N ATOM 1138 CA LEU A 79 -22.444 -0.464 -3.281 1.00 0.00 C ATOM 1139 C LEU A 79 -23.942 -0.674 -3.068 1.00 0.00 C ATOM 1140 O LEU A 79 -24.699 -0.830 -4.028 1.00 0.00 O ATOM 1141 CB LEU A 79 -21.809 0.481 -2.239 1.00 0.00 C ATOM 1142 CG LEU A 79 -20.338 0.833 -2.491 1.00 0.00 C ATOM 1143 CD1 LEU A 79 -19.821 1.679 -1.325 1.00 0.00 C ATOM 1144 CD2 LEU A 79 -19.436 -0.391 -2.696 1.00 0.00 C ATOM 0 H LEU A 79 -22.167 1.000 -4.748 1.00 0.00 H new ATOM 0 HA LEU A 79 -21.941 -1.419 -3.130 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -22.387 1.404 -2.209 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -21.893 0.020 -1.255 1.00 0.00 H new ATOM 0 HG LEU A 79 -20.298 1.393 -3.426 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -18.775 1.934 -1.496 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -20.410 2.593 -1.250 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -19.909 1.113 -0.398 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -18.411 -0.063 -2.869 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -19.470 -1.021 -1.807 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -19.785 -0.960 -3.558 1.00 0.00 H new ATOM 1156 N ARG A 80 -24.363 -0.750 -1.809 1.00 0.00 N ATOM 1157 CA ARG A 80 -25.719 -1.085 -1.397 1.00 0.00 C ATOM 1158 C ARG A 80 -26.099 -0.105 -0.293 1.00 0.00 C ATOM 1159 O ARG A 80 -25.249 0.151 0.569 1.00 0.00 O ATOM 1160 CB ARG A 80 -25.817 -2.539 -0.896 1.00 0.00 C ATOM 1161 CG ARG A 80 -25.249 -3.528 -1.925 1.00 0.00 C ATOM 1162 CD ARG A 80 -25.236 -4.995 -1.479 1.00 0.00 C ATOM 1163 NE ARG A 80 -24.818 -5.886 -2.583 1.00 0.00 N ATOM 1164 CZ ARG A 80 -25.572 -6.239 -3.637 1.00 0.00 C ATOM 1165 NH1 ARG A 80 -26.817 -5.801 -3.768 1.00 0.00 N ATOM 1166 NH2 ARG A 80 -25.083 -7.022 -4.588 1.00 0.00 N ATOM 0 H ARG A 80 -23.743 -0.573 -1.018 1.00 0.00 H new ATOM 0 HA ARG A 80 -26.402 -1.007 -2.243 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -25.274 -2.638 0.044 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -26.859 -2.785 -0.690 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -25.832 -3.449 -2.842 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -24.229 -3.229 -2.168 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -24.557 -5.115 -0.634 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -26.229 -5.281 -1.133 1.00 0.00 H new ATOM 0 HE ARG A 80 -23.873 -6.266 -2.540 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -27.218 -5.185 -3.061 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -27.374 -6.080 -4.576 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -24.124 -7.364 -4.524 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -25.666 -7.283 -5.383 1.00 0.00 H new ATOM 1180 N PRO A 81 -27.330 0.417 -0.259 1.00 0.00 N ATOM 1181 CA PRO A 81 -27.786 1.329 0.780 1.00 0.00 C ATOM 1182 C PRO A 81 -27.839 0.633 2.139 1.00 0.00 C ATOM 1183 O PRO A 81 -27.928 -0.601 2.216 1.00 0.00 O ATOM 1184 CB PRO A 81 -29.163 1.833 0.331 1.00 0.00 C ATOM 1185 CG PRO A 81 -29.357 1.272 -1.077 1.00 0.00 C ATOM 1186 CD PRO A 81 -28.427 0.077 -1.135 1.00 0.00 C ATOM 0 HA PRO A 81 -27.099 2.165 0.910 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -29.947 1.487 1.004 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -29.202 2.922 0.329 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -30.393 0.979 -1.249 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -29.104 2.010 -1.838 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -28.930 -0.832 -0.804 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -28.079 -0.104 -2.152 1.00 0.00 H new ATOM 1194 N ASN A 82 -27.803 1.432 3.210 1.00 0.00 N ATOM 1195 CA ASN A 82 -27.877 1.007 4.611 1.00 0.00 C ATOM 1196 C ASN A 82 -26.917 -0.146 4.947 1.00 0.00 C ATOM 1197 O ASN A 82 -27.207 -0.959 5.829 1.00 0.00 O ATOM 1198 CB ASN A 82 -29.340 0.686 4.998 1.00 0.00 C ATOM 1199 CG ASN A 82 -30.230 1.920 5.083 1.00 0.00 C ATOM 1200 OD1 ASN A 82 -29.879 2.885 5.752 1.00 0.00 O ATOM 1201 ND2 ASN A 82 -31.391 1.910 4.447 1.00 0.00 N ATOM 0 H ASN A 82 -27.717 2.444 3.118 1.00 0.00 H new ATOM 0 HA ASN A 82 -27.537 1.844 5.221 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -29.758 -0.004 4.266 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -29.349 0.174 5.960 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -32.013 2.716 4.508 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -31.663 1.096 3.896 1.00 0.00 H new ATOM 1208 N THR A 83 -25.763 -0.231 4.287 1.00 0.00 N ATOM 1209 CA THR A 83 -24.813 -1.335 4.379 1.00 0.00 C ATOM 1210 C THR A 83 -23.455 -0.769 4.774 1.00 0.00 C ATOM 1211 O THR A 83 -23.065 0.301 4.305 1.00 0.00 O ATOM 1212 CB THR A 83 -24.835 -2.112 3.039 1.00 0.00 C ATOM 1213 OG1 THR A 83 -26.134 -2.612 2.786 1.00 0.00 O ATOM 1214 CG2 THR A 83 -23.878 -3.299 2.994 1.00 0.00 C ATOM 0 H THR A 83 -25.453 0.500 3.647 1.00 0.00 H new ATOM 0 HA THR A 83 -25.074 -2.058 5.151 1.00 0.00 H new ATOM 0 HB THR A 83 -24.518 -1.390 2.286 1.00 0.00 H new ATOM 0 HG1 THR A 83 -26.704 -1.888 2.451 1.00 0.00 H new ATOM 0 HG21 THR A 83 -23.953 -3.790 2.024 1.00 0.00 H new ATOM 0 HG22 THR A 83 -22.857 -2.949 3.146 1.00 0.00 H new ATOM 0 HG23 THR A 83 -24.139 -4.007 3.780 1.00 0.00 H new ATOM 1222 N ILE A 84 -22.791 -1.452 5.707 1.00 0.00 N ATOM 1223 CA ILE A 84 -21.422 -1.176 6.117 1.00 0.00 C ATOM 1224 C ILE A 84 -20.463 -1.707 5.065 1.00 0.00 C ATOM 1225 O ILE A 84 -20.688 -2.758 4.462 1.00 0.00 O ATOM 1226 CB ILE A 84 -21.131 -1.829 7.488 1.00 0.00 C ATOM 1227 CG1 ILE A 84 -21.894 -1.147 8.638 1.00 0.00 C ATOM 1228 CG2 ILE A 84 -19.624 -1.863 7.851 1.00 0.00 C ATOM 1229 CD1 ILE A 84 -21.645 0.355 8.763 1.00 0.00 C ATOM 0 H ILE A 84 -23.207 -2.235 6.211 1.00 0.00 H new ATOM 0 HA ILE A 84 -21.286 -0.099 6.215 1.00 0.00 H new ATOM 0 HB ILE A 84 -21.481 -2.855 7.373 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -22.962 -1.315 8.498 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -21.616 -1.627 9.576 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -19.495 -2.335 8.825 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -19.081 -2.433 7.097 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -19.235 -0.845 7.886 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -22.222 0.751 9.598 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -20.584 0.535 8.937 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -21.951 0.852 7.842 1.00 0.00 H new ATOM 1241 N TYR A 85 -19.349 -0.997 4.946 1.00 0.00 N ATOM 1242 CA TYR A 85 -18.171 -1.327 4.180 1.00 0.00 C ATOM 1243 C TYR A 85 -16.973 -0.922 5.038 1.00 0.00 C ATOM 1244 O TYR A 85 -17.076 -0.015 5.871 1.00 0.00 O ATOM 1245 CB TYR A 85 -18.238 -0.535 2.847 1.00 0.00 C ATOM 1246 CG TYR A 85 -19.405 -0.892 1.938 1.00 0.00 C ATOM 1247 CD1 TYR A 85 -20.678 -0.349 2.200 1.00 0.00 C ATOM 1248 CD2 TYR A 85 -19.251 -1.791 0.864 1.00 0.00 C ATOM 1249 CE1 TYR A 85 -21.802 -0.823 1.508 1.00 0.00 C ATOM 1250 CE2 TYR A 85 -20.369 -2.306 0.201 1.00 0.00 C ATOM 1251 CZ TYR A 85 -21.648 -1.858 0.561 1.00 0.00 C ATOM 1252 OH TYR A 85 -22.727 -2.440 -0.007 1.00 0.00 O ATOM 0 H TYR A 85 -19.245 -0.103 5.425 1.00 0.00 H new ATOM 0 HA TYR A 85 -18.091 -2.386 3.934 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -18.290 0.529 3.078 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -17.309 -0.697 2.300 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -20.789 0.434 2.935 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -18.260 -2.085 0.550 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -22.777 -0.400 1.698 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -20.249 -3.042 -0.581 1.00 0.00 H new ATOM 0 HH TYR A 85 -22.433 -3.132 -0.636 1.00 0.00 H new ATOM 1262 N LEU A 86 -15.842 -1.584 4.813 1.00 0.00 N ATOM 1263 CA LEU A 86 -14.500 -1.077 5.078 1.00 0.00 C ATOM 1264 C LEU A 86 -13.808 -0.886 3.756 1.00 0.00 C ATOM 1265 O LEU A 86 -14.200 -1.557 2.806 1.00 0.00 O ATOM 1266 CB LEU A 86 -13.705 -2.039 5.969 1.00 0.00 C ATOM 1267 CG LEU A 86 -14.335 -2.265 7.347 1.00 0.00 C ATOM 1268 CD1 LEU A 86 -13.945 -3.630 7.882 1.00 0.00 C ATOM 1269 CD2 LEU A 86 -13.938 -1.161 8.326 1.00 0.00 C ATOM 0 H LEU A 86 -15.836 -2.527 4.425 1.00 0.00 H new ATOM 0 HA LEU A 86 -14.565 -0.130 5.613 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -13.612 -2.998 5.460 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -12.696 -1.649 6.100 1.00 0.00 H new ATOM 0 HG LEU A 86 -15.419 -2.230 7.237 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -14.398 -3.780 8.862 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -14.296 -4.403 7.198 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -12.860 -3.690 7.971 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -14.401 -1.350 9.295 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -12.854 -1.147 8.438 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -14.276 -0.197 7.944 1.00 0.00 H new ATOM 1281 N PHE A 87 -12.793 -0.015 3.731 1.00 0.00 N ATOM 1282 CA PHE A 87 -11.946 0.302 2.589 1.00 0.00 C ATOM 1283 C PHE A 87 -10.475 0.143 2.969 1.00 0.00 C ATOM 1284 O PHE A 87 -10.120 0.268 4.145 1.00 0.00 O ATOM 1285 CB PHE A 87 -12.187 1.742 2.089 1.00 0.00 C ATOM 1286 CG PHE A 87 -13.575 2.021 1.548 1.00 0.00 C ATOM 1287 CD1 PHE A 87 -14.105 1.167 0.568 1.00 0.00 C ATOM 1288 CD2 PHE A 87 -14.354 3.089 2.041 1.00 0.00 C ATOM 1289 CE1 PHE A 87 -15.434 1.314 0.151 1.00 0.00 C ATOM 1290 CE2 PHE A 87 -15.678 3.277 1.585 1.00 0.00 C ATOM 1291 CZ PHE A 87 -16.220 2.362 0.659 1.00 0.00 C ATOM 0 H PHE A 87 -12.530 0.517 4.561 1.00 0.00 H new ATOM 0 HA PHE A 87 -12.201 -0.390 1.787 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -11.991 2.431 2.911 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -11.460 1.963 1.307 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -13.487 0.395 0.135 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -13.936 3.766 2.771 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -15.855 0.621 -0.562 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -16.267 4.110 1.941 1.00 0.00 H new ATOM 0 HZ PHE A 87 -17.246 2.467 0.338 1.00 0.00 H new ATOM 1301 N MET A 88 -9.613 -0.049 1.973 1.00 0.00 N ATOM 1302 CA MET A 88 -8.166 0.080 2.035 1.00 0.00 C ATOM 1303 C MET A 88 -7.761 0.990 0.888 1.00 0.00 C ATOM 1304 O MET A 88 -8.439 0.990 -0.138 1.00 0.00 O ATOM 1305 CB MET A 88 -7.534 -1.282 1.762 1.00 0.00 C ATOM 1306 CG MET A 88 -7.784 -2.295 2.858 1.00 0.00 C ATOM 1307 SD MET A 88 -7.324 -3.951 2.318 1.00 0.00 S ATOM 1308 CE MET A 88 -6.812 -4.591 3.912 1.00 0.00 C ATOM 0 H MET A 88 -9.932 -0.316 1.042 1.00 0.00 H new ATOM 0 HA MET A 88 -7.853 0.460 3.007 1.00 0.00 H new ATOM 0 HB2 MET A 88 -7.924 -1.672 0.822 1.00 0.00 H new ATOM 0 HB3 MET A 88 -6.459 -1.156 1.634 1.00 0.00 H new ATOM 0 HG2 MET A 88 -7.212 -2.025 3.746 1.00 0.00 H new ATOM 0 HG3 MET A 88 -8.837 -2.279 3.140 1.00 0.00 H new ATOM 0 HE1 MET A 88 -6.568 -5.649 3.818 1.00 0.00 H new ATOM 0 HE2 MET A 88 -5.934 -4.045 4.258 1.00 0.00 H new ATOM 0 HE3 MET A 88 -7.622 -4.468 4.631 1.00 0.00 H new ATOM 1318 N VAL A 89 -6.616 1.650 0.995 1.00 0.00 N ATOM 1319 CA VAL A 89 -5.910 2.255 -0.119 1.00 0.00 C ATOM 1320 C VAL A 89 -4.517 1.627 -0.136 1.00 0.00 C ATOM 1321 O VAL A 89 -3.917 1.378 0.911 1.00 0.00 O ATOM 1322 CB VAL A 89 -5.872 3.786 0.043 1.00 0.00 C ATOM 1323 CG1 VAL A 89 -5.110 4.460 -1.107 1.00 0.00 C ATOM 1324 CG2 VAL A 89 -7.275 4.407 0.049 1.00 0.00 C ATOM 0 H VAL A 89 -6.141 1.781 1.888 1.00 0.00 H new ATOM 0 HA VAL A 89 -6.407 2.071 -1.072 1.00 0.00 H new ATOM 0 HB VAL A 89 -5.375 3.955 0.998 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -5.105 5.540 -0.957 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -4.084 4.092 -1.129 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -5.599 4.227 -2.053 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -7.194 5.488 0.166 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -7.777 4.180 -0.891 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -7.852 3.995 0.877 1.00 0.00 H new ATOM 1334 N ARG A 90 -3.984 1.364 -1.326 1.00 0.00 N ATOM 1335 CA ARG A 90 -2.613 0.906 -1.531 1.00 0.00 C ATOM 1336 C ARG A 90 -2.035 1.766 -2.635 1.00 0.00 C ATOM 1337 O ARG A 90 -2.777 2.170 -3.529 1.00 0.00 O ATOM 1338 CB ARG A 90 -2.592 -0.593 -1.896 1.00 0.00 C ATOM 1339 CG ARG A 90 -3.048 -1.462 -0.723 1.00 0.00 C ATOM 1340 CD ARG A 90 -3.283 -2.891 -1.201 1.00 0.00 C ATOM 1341 NE ARG A 90 -3.959 -3.669 -0.169 1.00 0.00 N ATOM 1342 CZ ARG A 90 -3.448 -4.189 0.943 1.00 0.00 C ATOM 1343 NH1 ARG A 90 -2.168 -4.013 1.259 1.00 0.00 N ATOM 1344 NH2 ARG A 90 -4.272 -4.868 1.727 1.00 0.00 N ATOM 0 H ARG A 90 -4.507 1.466 -2.196 1.00 0.00 H new ATOM 0 HA ARG A 90 -2.016 1.005 -0.625 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -3.241 -0.769 -2.754 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -1.584 -0.882 -2.194 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -2.294 -1.451 0.064 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -3.964 -1.057 -0.293 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -3.884 -2.883 -2.111 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -2.331 -3.358 -1.452 1.00 0.00 H new ATOM 0 HE ARG A 90 -4.954 -3.836 -0.320 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -1.561 -3.471 0.644 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -1.794 -4.420 2.116 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -5.253 -4.973 1.467 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -3.926 -5.285 2.591 1.00 0.00 H new ATOM 1358 N ALA A 91 -0.742 2.067 -2.581 1.00 0.00 N ATOM 1359 CA ALA A 91 -0.022 2.564 -3.743 1.00 0.00 C ATOM 1360 C ALA A 91 0.520 1.349 -4.501 1.00 0.00 C ATOM 1361 O ALA A 91 0.702 0.281 -3.913 1.00 0.00 O ATOM 1362 CB ALA A 91 1.090 3.513 -3.285 1.00 0.00 C ATOM 0 H ALA A 91 -0.171 1.974 -1.741 1.00 0.00 H new ATOM 0 HA ALA A 91 -0.669 3.134 -4.410 1.00 0.00 H new ATOM 0 HB1 ALA A 91 1.631 3.886 -4.155 1.00 0.00 H new ATOM 0 HB2 ALA A 91 0.653 4.351 -2.742 1.00 0.00 H new ATOM 0 HB3 ALA A 91 1.779 2.978 -2.632 1.00 0.00 H new ATOM 1368 N ILE A 92 0.789 1.509 -5.792 1.00 0.00 N ATOM 1369 CA ILE A 92 1.417 0.543 -6.690 1.00 0.00 C ATOM 1370 C ILE A 92 2.687 1.189 -7.231 1.00 0.00 C ATOM 1371 O ILE A 92 2.767 2.415 -7.343 1.00 0.00 O ATOM 1372 CB ILE A 92 0.421 0.085 -7.797 1.00 0.00 C ATOM 1373 CG1 ILE A 92 0.108 -1.403 -7.584 1.00 0.00 C ATOM 1374 CG2 ILE A 92 0.876 0.287 -9.243 1.00 0.00 C ATOM 1375 CD1 ILE A 92 -1.028 -1.921 -8.468 1.00 0.00 C ATOM 0 H ILE A 92 0.558 2.378 -6.274 1.00 0.00 H new ATOM 0 HA ILE A 92 1.690 -0.374 -6.168 1.00 0.00 H new ATOM 0 HB ILE A 92 -0.450 0.730 -7.683 1.00 0.00 H new ATOM 0 HG12 ILE A 92 1.007 -1.987 -7.782 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -0.153 -1.565 -6.538 1.00 0.00 H new ATOM 0 HG21 ILE A 92 0.101 -0.069 -9.921 1.00 0.00 H new ATOM 0 HG22 ILE A 92 1.057 1.347 -9.423 1.00 0.00 H new ATOM 0 HG23 ILE A 92 1.795 -0.273 -9.417 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -1.194 -2.979 -8.264 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -1.939 -1.363 -8.254 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -0.761 -1.791 -9.517 1.00 0.00 H new ATOM 1387 N ASN A 93 3.676 0.379 -7.592 1.00 0.00 N ATOM 1388 CA ASN A 93 4.942 0.830 -8.164 1.00 0.00 C ATOM 1389 C ASN A 93 5.476 -0.211 -9.164 1.00 0.00 C ATOM 1390 O ASN A 93 4.862 -1.272 -9.314 1.00 0.00 O ATOM 1391 CB ASN A 93 5.916 1.198 -7.024 1.00 0.00 C ATOM 1392 CG ASN A 93 6.896 0.121 -6.583 1.00 0.00 C ATOM 1393 OD1 ASN A 93 6.649 -1.057 -6.770 1.00 0.00 O ATOM 1394 ND2 ASN A 93 8.012 0.510 -5.993 1.00 0.00 N ATOM 0 H ASN A 93 3.619 -0.635 -7.493 1.00 0.00 H new ATOM 0 HA ASN A 93 4.807 1.740 -8.749 1.00 0.00 H new ATOM 0 HB2 ASN A 93 6.489 2.071 -7.336 1.00 0.00 H new ATOM 0 HB3 ASN A 93 5.327 1.496 -6.157 1.00 0.00 H new ATOM 0 HD21 ASN A 93 8.692 -0.183 -5.681 1.00 0.00 H new ATOM 0 HD22 ASN A 93 8.193 1.503 -5.849 1.00 0.00 H new ATOM 1401 N PRO A 94 6.596 0.051 -9.863 1.00 0.00 N ATOM 1402 CA PRO A 94 7.201 -0.879 -10.819 1.00 0.00 C ATOM 1403 C PRO A 94 7.635 -2.247 -10.264 1.00 0.00 C ATOM 1404 O PRO A 94 8.224 -3.014 -11.023 1.00 0.00 O ATOM 1405 CB PRO A 94 8.408 -0.137 -11.409 1.00 0.00 C ATOM 1406 CG PRO A 94 8.024 1.331 -11.262 1.00 0.00 C ATOM 1407 CD PRO A 94 7.284 1.333 -9.929 1.00 0.00 C ATOM 0 HA PRO A 94 6.439 -1.146 -11.551 1.00 0.00 H new ATOM 0 HB2 PRO A 94 9.326 -0.369 -10.869 1.00 0.00 H new ATOM 0 HB3 PRO A 94 8.575 -0.406 -12.452 1.00 0.00 H new ATOM 0 HG2 PRO A 94 8.898 1.982 -11.244 1.00 0.00 H new ATOM 0 HG3 PRO A 94 7.390 1.671 -12.081 1.00 0.00 H new ATOM 0 HD2 PRO A 94 7.977 1.450 -9.096 1.00 0.00 H new ATOM 0 HD3 PRO A 94 6.577 2.161 -9.874 1.00 0.00 H new ATOM 1415 N GLN A 95 7.400 -2.555 -8.984 1.00 0.00 N ATOM 1416 CA GLN A 95 7.828 -3.771 -8.304 1.00 0.00 C ATOM 1417 C GLN A 95 6.663 -4.474 -7.595 1.00 0.00 C ATOM 1418 O GLN A 95 6.587 -5.703 -7.619 1.00 0.00 O ATOM 1419 CB GLN A 95 8.973 -3.474 -7.320 1.00 0.00 C ATOM 1420 CG GLN A 95 10.168 -2.723 -7.931 1.00 0.00 C ATOM 1421 CD GLN A 95 10.987 -3.510 -8.957 1.00 0.00 C ATOM 1422 OE1 GLN A 95 10.580 -4.532 -9.502 1.00 0.00 O ATOM 1423 NE2 GLN A 95 12.163 -3.009 -9.287 1.00 0.00 N ATOM 0 H GLN A 95 6.880 -1.929 -8.369 1.00 0.00 H new ATOM 0 HA GLN A 95 8.199 -4.455 -9.067 1.00 0.00 H new ATOM 0 HB2 GLN A 95 8.578 -2.887 -6.491 1.00 0.00 H new ATOM 0 HB3 GLN A 95 9.328 -4.416 -6.903 1.00 0.00 H new ATOM 0 HG2 GLN A 95 9.799 -1.814 -8.407 1.00 0.00 H new ATOM 0 HG3 GLN A 95 10.831 -2.413 -7.123 1.00 0.00 H new ATOM 0 HE21 GLN A 95 12.501 -2.160 -8.834 1.00 0.00 H new ATOM 0 HE22 GLN A 95 12.734 -3.471 -9.995 1.00 0.00 H new ATOM 1432 N GLY A 96 5.732 -3.730 -6.997 1.00 0.00 N ATOM 1433 CA GLY A 96 4.701 -4.282 -6.137 1.00 0.00 C ATOM 1434 C GLY A 96 3.749 -3.197 -5.657 1.00 0.00 C ATOM 1435 O GLY A 96 3.508 -2.208 -6.356 1.00 0.00 O ATOM 0 H GLY A 96 5.677 -2.717 -7.101 1.00 0.00 H new ATOM 0 HA2 GLY A 96 4.143 -5.046 -6.678 1.00 0.00 H new ATOM 0 HA3 GLY A 96 5.162 -4.771 -5.279 1.00 0.00 H new ATOM 1439 N LEU A 97 3.184 -3.399 -4.466 1.00 0.00 N ATOM 1440 CA LEU A 97 2.250 -2.493 -3.810 1.00 0.00 C ATOM 1441 C LEU A 97 2.779 -2.135 -2.414 1.00 0.00 C ATOM 1442 O LEU A 97 3.593 -2.878 -1.865 1.00 0.00 O ATOM 1443 CB LEU A 97 0.856 -3.138 -3.789 1.00 0.00 C ATOM 1444 CG LEU A 97 0.721 -4.337 -2.822 1.00 0.00 C ATOM 1445 CD1 LEU A 97 0.097 -3.952 -1.480 1.00 0.00 C ATOM 1446 CD2 LEU A 97 -0.042 -5.499 -3.455 1.00 0.00 C ATOM 0 H LEU A 97 3.375 -4.234 -3.912 1.00 0.00 H new ATOM 0 HA LEU A 97 2.159 -1.555 -4.358 1.00 0.00 H new ATOM 0 HB2 LEU A 97 0.123 -2.380 -3.513 1.00 0.00 H new ATOM 0 HB3 LEU A 97 0.608 -3.470 -4.797 1.00 0.00 H new ATOM 0 HG LEU A 97 1.740 -4.668 -2.620 1.00 0.00 H new ATOM 0 HD11 LEU A 97 0.028 -4.835 -0.844 1.00 0.00 H new ATOM 0 HD12 LEU A 97 0.718 -3.201 -0.992 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -0.901 -3.546 -1.646 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -0.113 -6.319 -2.741 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -1.044 -5.169 -3.730 1.00 0.00 H new ATOM 0 HD23 LEU A 97 0.486 -5.838 -4.346 1.00 0.00 H new ATOM 1458 N SER A 98 2.346 -1.006 -1.848 1.00 0.00 N ATOM 1459 CA SER A 98 2.849 -0.477 -0.578 1.00 0.00 C ATOM 1460 C SER A 98 2.359 -1.305 0.610 1.00 0.00 C ATOM 1461 O SER A 98 1.369 -2.025 0.493 1.00 0.00 O ATOM 1462 CB SER A 98 2.399 0.983 -0.413 1.00 0.00 C ATOM 1463 OG SER A 98 0.982 1.099 -0.365 1.00 0.00 O ATOM 0 H SER A 98 1.622 -0.423 -2.268 1.00 0.00 H new ATOM 0 HA SER A 98 3.937 -0.531 -0.598 1.00 0.00 H new ATOM 0 HB2 SER A 98 2.828 1.394 0.501 1.00 0.00 H new ATOM 0 HB3 SER A 98 2.784 1.577 -1.241 1.00 0.00 H new ATOM 0 HG SER A 98 0.658 0.797 0.509 1.00 0.00 H new ATOM 1469 N ASP A 99 2.963 -1.100 1.786 1.00 0.00 N ATOM 1470 CA ASP A 99 2.315 -1.412 3.065 1.00 0.00 C ATOM 1471 C ASP A 99 0.856 -0.905 3.047 1.00 0.00 C ATOM 1472 O ASP A 99 0.538 0.065 2.337 1.00 0.00 O ATOM 1473 CB ASP A 99 3.056 -0.751 4.246 1.00 0.00 C ATOM 1474 CG ASP A 99 4.288 -1.506 4.748 1.00 0.00 C ATOM 1475 OD1 ASP A 99 4.171 -2.690 5.138 1.00 0.00 O ATOM 1476 OD2 ASP A 99 5.371 -0.875 4.774 1.00 0.00 O ATOM 0 H ASP A 99 3.904 -0.718 1.878 1.00 0.00 H new ATOM 0 HA ASP A 99 2.340 -2.494 3.197 1.00 0.00 H new ATOM 0 HB2 ASP A 99 3.361 0.252 3.947 1.00 0.00 H new ATOM 0 HB3 ASP A 99 2.357 -0.637 5.075 1.00 0.00 H new ATOM 1481 N PRO A 100 -0.049 -1.527 3.820 1.00 0.00 N ATOM 1482 CA PRO A 100 -1.441 -1.114 3.869 1.00 0.00 C ATOM 1483 C PRO A 100 -1.583 0.248 4.556 1.00 0.00 C ATOM 1484 O PRO A 100 -0.927 0.521 5.568 1.00 0.00 O ATOM 1485 CB PRO A 100 -2.161 -2.228 4.640 1.00 0.00 C ATOM 1486 CG PRO A 100 -1.077 -2.865 5.506 1.00 0.00 C ATOM 1487 CD PRO A 100 0.184 -2.688 4.668 1.00 0.00 C ATOM 0 HA PRO A 100 -1.870 -0.983 2.876 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -2.970 -1.827 5.250 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -2.604 -2.957 3.961 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -0.991 -2.370 6.473 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -1.285 -3.916 5.704 1.00 0.00 H new ATOM 0 HD2 PRO A 100 1.056 -2.536 5.304 1.00 0.00 H new ATOM 0 HD3 PRO A 100 0.379 -3.576 4.067 1.00 0.00 H new ATOM 1495 N SER A 101 -2.495 1.074 4.043 1.00 0.00 N ATOM 1496 CA SER A 101 -3.113 2.150 4.804 1.00 0.00 C ATOM 1497 C SER A 101 -3.868 1.600 6.033 1.00 0.00 C ATOM 1498 O SER A 101 -4.205 0.413 6.076 1.00 0.00 O ATOM 1499 CB SER A 101 -4.086 2.901 3.882 1.00 0.00 C ATOM 1500 OG SER A 101 -5.165 2.067 3.481 1.00 0.00 O ATOM 0 H SER A 101 -2.825 1.011 3.080 1.00 0.00 H new ATOM 0 HA SER A 101 -2.337 2.824 5.167 1.00 0.00 H new ATOM 0 HB2 SER A 101 -4.475 3.779 4.398 1.00 0.00 H new ATOM 0 HB3 SER A 101 -3.553 3.259 3.001 1.00 0.00 H new ATOM 0 HG SER A 101 -6.013 2.532 3.637 1.00 0.00 H new ATOM 1506 N PRO A 102 -4.241 2.451 6.997 1.00 0.00 N ATOM 1507 CA PRO A 102 -5.308 2.159 7.951 1.00 0.00 C ATOM 1508 C PRO A 102 -6.656 1.949 7.231 1.00 0.00 C ATOM 1509 O PRO A 102 -6.978 2.717 6.317 1.00 0.00 O ATOM 1510 CB PRO A 102 -5.381 3.408 8.840 1.00 0.00 C ATOM 1511 CG PRO A 102 -4.087 4.181 8.587 1.00 0.00 C ATOM 1512 CD PRO A 102 -3.709 3.787 7.171 1.00 0.00 C ATOM 0 HA PRO A 102 -5.109 1.246 8.513 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -6.252 4.014 8.591 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -5.473 3.134 9.891 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -4.238 5.257 8.677 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -3.310 3.907 9.301 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -4.133 4.478 6.443 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -2.628 3.802 7.033 1.00 0.00 H new ATOM 1520 N MET A 103 -7.507 1.004 7.664 1.00 0.00 N ATOM 1521 CA MET A 103 -8.897 0.972 7.201 1.00 0.00 C ATOM 1522 C MET A 103 -9.659 2.248 7.595 1.00 0.00 C ATOM 1523 O MET A 103 -9.471 2.801 8.684 1.00 0.00 O ATOM 1524 CB MET A 103 -9.658 -0.258 7.713 1.00 0.00 C ATOM 1525 CG MET A 103 -9.324 -1.541 6.947 1.00 0.00 C ATOM 1526 SD MET A 103 -7.809 -2.431 7.351 1.00 0.00 S ATOM 1527 CE MET A 103 -8.237 -3.044 8.999 1.00 0.00 C ATOM 0 H MET A 103 -7.259 0.266 8.323 1.00 0.00 H new ATOM 0 HA MET A 103 -8.845 0.912 6.114 1.00 0.00 H new ATOM 0 HB2 MET A 103 -9.430 -0.404 8.769 1.00 0.00 H new ATOM 0 HB3 MET A 103 -10.729 -0.069 7.642 1.00 0.00 H new ATOM 0 HG2 MET A 103 -10.157 -2.231 7.082 1.00 0.00 H new ATOM 0 HG3 MET A 103 -9.286 -1.291 5.887 1.00 0.00 H new ATOM 0 HE1 MET A 103 -7.495 -3.776 9.319 1.00 0.00 H new ATOM 0 HE2 MET A 103 -8.254 -2.212 9.703 1.00 0.00 H new ATOM 0 HE3 MET A 103 -9.220 -3.514 8.969 1.00 0.00 H new ATOM 1537 N SER A 104 -10.605 2.646 6.743 1.00 0.00 N ATOM 1538 CA SER A 104 -11.376 3.892 6.750 1.00 0.00 C ATOM 1539 C SER A 104 -12.177 4.189 8.020 1.00 0.00 C ATOM 1540 O SER A 104 -12.558 5.343 8.210 1.00 0.00 O ATOM 1541 CB SER A 104 -12.352 3.803 5.564 1.00 0.00 C ATOM 1542 OG SER A 104 -13.080 2.574 5.579 1.00 0.00 O ATOM 0 H SER A 104 -10.876 2.051 5.960 1.00 0.00 H new ATOM 0 HA SER A 104 -10.655 4.707 6.688 1.00 0.00 H new ATOM 0 HB2 SER A 104 -13.049 4.641 5.600 1.00 0.00 H new ATOM 0 HB3 SER A 104 -11.799 3.889 4.629 1.00 0.00 H new ATOM 0 HG SER A 104 -13.679 2.558 6.354 1.00 0.00 H new ATOM 1548 N ASP A 105 -12.425 3.170 8.854 1.00 0.00 N ATOM 1549 CA ASP A 105 -13.544 3.008 9.804 1.00 0.00 C ATOM 1550 C ASP A 105 -14.700 2.338 9.035 1.00 0.00 C ATOM 1551 O ASP A 105 -14.762 2.502 7.808 1.00 0.00 O ATOM 1552 CB ASP A 105 -13.993 4.334 10.451 1.00 0.00 C ATOM 1553 CG ASP A 105 -14.756 4.175 11.759 1.00 0.00 C ATOM 1554 OD1 ASP A 105 -14.154 3.614 12.704 1.00 0.00 O ATOM 1555 OD2 ASP A 105 -15.915 4.649 11.836 1.00 0.00 O ATOM 0 H ASP A 105 -11.797 2.367 8.887 1.00 0.00 H new ATOM 0 HA ASP A 105 -13.216 2.389 10.640 1.00 0.00 H new ATOM 0 HB2 ASP A 105 -13.113 4.951 10.632 1.00 0.00 H new ATOM 0 HB3 ASP A 105 -14.621 4.874 9.743 1.00 0.00 H new ATOM 1560 N PRO A 106 -15.583 1.549 9.681 1.00 0.00 N ATOM 1561 CA PRO A 106 -16.700 0.902 9.015 1.00 0.00 C ATOM 1562 C PRO A 106 -17.752 1.956 8.689 1.00 0.00 C ATOM 1563 O PRO A 106 -18.396 2.485 9.599 1.00 0.00 O ATOM 1564 CB PRO A 106 -17.225 -0.182 9.963 1.00 0.00 C ATOM 1565 CG PRO A 106 -16.561 0.085 11.315 1.00 0.00 C ATOM 1566 CD PRO A 106 -15.655 1.296 11.107 1.00 0.00 C ATOM 0 HA PRO A 106 -16.413 0.434 8.074 1.00 0.00 H new ATOM 0 HB2 PRO A 106 -18.311 -0.136 10.045 1.00 0.00 H new ATOM 0 HB3 PRO A 106 -16.975 -1.177 9.595 1.00 0.00 H new ATOM 0 HG2 PRO A 106 -17.308 0.284 12.084 1.00 0.00 H new ATOM 0 HG3 PRO A 106 -15.986 -0.780 11.645 1.00 0.00 H new ATOM 0 HD2 PRO A 106 -16.052 2.166 11.631 1.00 0.00 H new ATOM 0 HD3 PRO A 106 -14.662 1.105 11.513 1.00 0.00 H new ATOM 1574 N VAL A 107 -17.917 2.289 7.414 1.00 0.00 N ATOM 1575 CA VAL A 107 -18.759 3.387 6.956 1.00 0.00 C ATOM 1576 C VAL A 107 -20.058 2.833 6.401 1.00 0.00 C ATOM 1577 O VAL A 107 -20.052 1.926 5.566 1.00 0.00 O ATOM 1578 CB VAL A 107 -17.988 4.278 5.962 1.00 0.00 C ATOM 1579 CG1 VAL A 107 -17.113 5.213 6.811 1.00 0.00 C ATOM 1580 CG2 VAL A 107 -17.201 3.504 4.904 1.00 0.00 C ATOM 0 H VAL A 107 -17.458 1.791 6.652 1.00 0.00 H new ATOM 0 HA VAL A 107 -19.025 4.035 7.791 1.00 0.00 H new ATOM 0 HB VAL A 107 -18.690 4.850 5.355 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -16.541 5.871 6.156 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -17.748 5.813 7.463 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -16.428 4.620 7.417 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -16.688 4.206 4.246 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -16.467 2.863 5.393 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -17.885 2.891 4.318 1.00 0.00 H new ATOM 1590 N ARG A 108 -21.184 3.353 6.893 1.00 0.00 N ATOM 1591 CA ARG A 108 -22.486 2.979 6.361 1.00 0.00 C ATOM 1592 C ARG A 108 -22.780 3.874 5.176 1.00 0.00 C ATOM 1593 O ARG A 108 -22.532 5.080 5.230 1.00 0.00 O ATOM 1594 CB ARG A 108 -23.585 3.143 7.419 1.00 0.00 C ATOM 1595 CG ARG A 108 -24.868 2.361 7.078 1.00 0.00 C ATOM 1596 CD ARG A 108 -24.958 0.982 7.745 1.00 0.00 C ATOM 1597 NE ARG A 108 -26.351 0.659 8.091 1.00 0.00 N ATOM 1598 CZ ARG A 108 -27.005 1.194 9.130 1.00 0.00 C ATOM 1599 NH1 ARG A 108 -26.335 1.842 10.082 1.00 0.00 N ATOM 1600 NH2 ARG A 108 -28.324 1.100 9.209 1.00 0.00 N ATOM 0 H ARG A 108 -21.216 4.030 7.655 1.00 0.00 H new ATOM 0 HA ARG A 108 -22.469 1.931 6.062 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -23.206 2.806 8.384 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -23.827 4.201 7.523 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -25.732 2.954 7.377 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -24.927 2.234 5.997 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -24.560 0.221 7.073 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -24.342 0.967 8.644 1.00 0.00 H new ATOM 0 HE ARG A 108 -26.848 -0.012 7.505 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -25.321 1.932 10.021 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -26.836 2.248 10.872 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -28.846 0.619 8.477 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -28.818 1.509 10.002 1.00 0.00 H new ATOM 1614 N THR A 109 -23.367 3.303 4.139 1.00 0.00 N ATOM 1615 CA THR A 109 -24.077 4.069 3.137 1.00 0.00 C ATOM 1616 C THR A 109 -25.298 4.758 3.775 1.00 0.00 C ATOM 1617 O THR A 109 -25.696 4.419 4.895 1.00 0.00 O ATOM 1618 CB THR A 109 -24.399 3.106 1.985 1.00 0.00 C ATOM 1619 OG1 THR A 109 -25.024 1.931 2.466 1.00 0.00 O ATOM 1620 CG2 THR A 109 -23.107 2.627 1.305 1.00 0.00 C ATOM 0 H THR A 109 -23.363 2.297 3.970 1.00 0.00 H new ATOM 0 HA THR A 109 -23.486 4.887 2.726 1.00 0.00 H new ATOM 0 HB THR A 109 -25.045 3.652 1.298 1.00 0.00 H new ATOM 0 HG1 THR A 109 -25.128 1.291 1.731 1.00 0.00 H new ATOM 0 HG21 THR A 109 -23.355 1.946 0.491 1.00 0.00 H new ATOM 0 HG22 THR A 109 -22.565 3.485 0.907 1.00 0.00 H new ATOM 0 HG23 THR A 109 -22.483 2.110 2.034 1.00 0.00 H new ATOM 1628 N GLN A 110 -25.886 5.742 3.087 1.00 0.00 N ATOM 1629 CA GLN A 110 -27.151 6.330 3.525 1.00 0.00 C ATOM 1630 C GLN A 110 -28.284 5.389 3.126 1.00 0.00 C ATOM 1631 O GLN A 110 -28.076 4.297 2.577 1.00 0.00 O ATOM 1632 CB GLN A 110 -27.394 7.739 2.967 1.00 0.00 C ATOM 1633 CG GLN A 110 -26.228 8.692 3.184 1.00 0.00 C ATOM 1634 CD GLN A 110 -26.567 9.886 4.070 1.00 0.00 C ATOM 1635 OE1 GLN A 110 -26.895 9.733 5.244 1.00 0.00 O ATOM 1636 NE2 GLN A 110 -26.441 11.105 3.569 1.00 0.00 N ATOM 0 H GLN A 110 -25.507 6.145 2.230 1.00 0.00 H new ATOM 0 HA GLN A 110 -27.109 6.448 4.608 1.00 0.00 H new ATOM 0 HB2 GLN A 110 -27.599 7.667 1.899 1.00 0.00 H new ATOM 0 HB3 GLN A 110 -28.285 8.157 3.435 1.00 0.00 H new ATOM 0 HG2 GLN A 110 -25.400 8.142 3.632 1.00 0.00 H new ATOM 0 HG3 GLN A 110 -25.883 9.056 2.216 1.00 0.00 H new ATOM 0 HE21 GLN A 110 -26.169 11.230 2.594 1.00 0.00 H new ATOM 0 HE22 GLN A 110 -26.616 11.919 4.158 1.00 0.00 H new ATOM 1645 N ASP A 111 -29.493 5.854 3.396 1.00 0.00 N ATOM 1646 CA ASP A 111 -30.708 5.294 2.824 1.00 0.00 C ATOM 1647 C ASP A 111 -30.827 5.712 1.350 1.00 0.00 C ATOM 1648 O ASP A 111 -30.287 6.736 0.934 1.00 0.00 O ATOM 1649 CB ASP A 111 -31.911 5.747 3.650 1.00 0.00 C ATOM 1650 CG ASP A 111 -33.098 4.819 3.410 1.00 0.00 C ATOM 1651 OD1 ASP A 111 -33.777 4.963 2.369 1.00 0.00 O ATOM 1652 OD2 ASP A 111 -33.325 3.919 4.248 1.00 0.00 O ATOM 0 H ASP A 111 -29.661 6.639 4.025 1.00 0.00 H new ATOM 0 HA ASP A 111 -30.674 4.205 2.853 1.00 0.00 H new ATOM 0 HB2 ASP A 111 -31.653 5.752 4.709 1.00 0.00 H new ATOM 0 HB3 ASP A 111 -32.180 6.769 3.383 1.00 0.00 H new