USER MOD reduce.3.24.130724 H: found=0, std=0, add=978, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 979 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 23 THR OG1 : rot 42:sc= 1.04 USER MOD Set 1.2: A 139 MET CE :methyl -157:sc= -1.24 (180deg=-2.83) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 3:sc= 0.555 USER MOD Single : A 24 CYS SG : rot 33:sc= -0.611 USER MOD Single : A 28 GLN : amide:sc= -0.82 K(o=-0.82,f=-2.6!) USER MOD Single : A 35 GLN : amide:sc= -0.161 K(o=-0.16,f=-1.5!) USER MOD Single : A 40 GLN : amide:sc= -1.03 K(o=-1,f=-0.35) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot 180:sc= -0.0427 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 63 GLN : amide:sc=-0.00935 X(o=-0.0094,f=-0.091) USER MOD Single : A 65 GLN : amide:sc= -12.6! C(o=-13!,f=-15!) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 GLN : amide:sc= -0.0822 K(o=-0.082,f=-4.4!) USER MOD Single : A 74 GLN : amide:sc= -0.777 K(o=-0.78,f=0) USER MOD Single : A 83 THR OG1 : rot 180:sc= -0.0183 USER MOD Single : A 84 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 87 HIS : no HD1:sc= -0.5 K(o=-0.5,f=-1.5) USER MOD Single : A 93 HIS : no HD1:sc= -0.872 K(o=-0.87,f=-0.0042) USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 97 HIS : no HD1:sc= -4.24! C(o=-4.2!,f=-4.3!) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 TYR OH : rot 180:sc= 0 USER MOD Single : A 103 GLN : amide:sc= -0.244 X(o=-0.24,f=-0.0083) USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD Single : A 116 THR OG1 : rot 5:sc= 0.609 USER MOD Single : A 117 THR OG1 : rot 68:sc= 1.05 USER MOD Single : A 126 THR OG1 : rot 180:sc= 0 USER MOD Single : A 127 GLN : amide:sc= -1.05! C(o=-1!,f=-2.9!) USER MOD Single : A 131 HIS : no HD1:sc= 0.893 K(o=0.89,f=-3!) USER MOD Single : A 132 THR OG1 : rot -33:sc= 1.16 USER MOD Single : A 136 SER OG : rot 180:sc= -0.38 USER MOD Single : A 137 THR OG1 : rot 180:sc= 0.00288 USER MOD Single : A 140 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 141 LYS NZ :NH3+ -135:sc= -0.0361 (180deg=-0.557) USER MOD Single : A 146 TYR OH : rot 180:sc= 0 USER MOD Single : A 147 GLN : amide:sc= -3.04! K(o=-3!,f=-1.9) USER MOD ----------------------------------------------------------------- ATOM 207 N PRO A 16 1.243 -19.265 -1.148 1.00 0.00 N ATOM 208 CA PRO A 16 1.175 -17.938 -0.530 1.00 0.00 C ATOM 209 C PRO A 16 2.262 -17.732 0.520 1.00 0.00 C ATOM 210 O PRO A 16 2.633 -16.599 0.829 1.00 0.00 O ATOM 211 CB PRO A 16 -0.209 -17.920 0.122 1.00 0.00 C ATOM 212 CG PRO A 16 -0.529 -19.353 0.371 1.00 0.00 C ATOM 213 CD PRO A 16 0.113 -20.121 -0.751 1.00 0.00 C ATOM 0 HA PRO A 16 1.328 -17.141 -1.258 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -0.202 -17.349 1.050 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -0.948 -17.457 -0.531 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -0.142 -19.677 1.337 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -1.607 -19.515 0.388 1.00 0.00 H new ATOM 0 HD2 PRO A 16 0.450 -21.105 -0.423 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -0.580 -20.280 -1.577 1.00 0.00 H new ATOM 221 N ARG A 17 2.768 -18.833 1.065 1.00 0.00 N ATOM 222 CA ARG A 17 3.813 -18.772 2.081 1.00 0.00 C ATOM 223 C ARG A 17 4.752 -17.597 1.826 1.00 0.00 C ATOM 224 O ARG A 17 4.895 -16.712 2.668 1.00 0.00 O ATOM 225 CB ARG A 17 4.608 -20.079 2.104 1.00 0.00 C ATOM 226 CG ARG A 17 3.747 -21.312 2.324 1.00 0.00 C ATOM 227 CD ARG A 17 4.592 -22.528 2.668 1.00 0.00 C ATOM 228 NE ARG A 17 3.774 -23.666 3.077 1.00 0.00 N ATOM 229 CZ ARG A 17 4.277 -24.837 3.453 1.00 0.00 C ATOM 230 NH1 ARG A 17 5.590 -25.021 3.472 1.00 0.00 N ATOM 231 NH2 ARG A 17 3.468 -25.825 3.811 1.00 0.00 N ATOM 0 H ARG A 17 2.472 -19.778 0.821 1.00 0.00 H new ATOM 0 HA ARG A 17 3.335 -18.628 3.050 1.00 0.00 H new ATOM 0 HB2 ARG A 17 5.145 -20.185 1.161 1.00 0.00 H new ATOM 0 HB3 ARG A 17 5.358 -20.024 2.893 1.00 0.00 H new ATOM 0 HG2 ARG A 17 3.037 -21.122 3.129 1.00 0.00 H new ATOM 0 HG3 ARG A 17 3.164 -21.515 1.426 1.00 0.00 H new ATOM 0 HD2 ARG A 17 5.194 -22.807 1.803 1.00 0.00 H new ATOM 0 HD3 ARG A 17 5.285 -22.273 3.470 1.00 0.00 H new ATOM 0 HE ARG A 17 2.760 -23.556 3.074 1.00 0.00 H new ATOM 0 HH11 ARG A 17 6.215 -24.263 3.198 1.00 0.00 H new ATOM 0 HH12 ARG A 17 5.975 -25.920 3.761 1.00 0.00 H new ATOM 0 HH21 ARG A 17 2.457 -25.687 3.798 1.00 0.00 H new ATOM 0 HH22 ARG A 17 3.856 -26.723 4.099 1.00 0.00 H new ATOM 245 N GLU A 18 5.389 -17.597 0.660 1.00 0.00 N ATOM 246 CA GLU A 18 6.315 -16.532 0.296 1.00 0.00 C ATOM 247 C GLU A 18 5.614 -15.462 -0.537 1.00 0.00 C ATOM 248 O GLU A 18 5.411 -15.631 -1.739 1.00 0.00 O ATOM 249 CB GLU A 18 7.503 -17.102 -0.483 1.00 0.00 C ATOM 250 CG GLU A 18 7.161 -18.342 -1.293 1.00 0.00 C ATOM 251 CD GLU A 18 7.306 -19.620 -0.490 1.00 0.00 C ATOM 252 OE1 GLU A 18 8.296 -19.741 0.260 1.00 0.00 O ATOM 253 OE2 GLU A 18 6.428 -20.500 -0.612 1.00 0.00 O ATOM 0 H GLU A 18 5.281 -18.323 -0.049 1.00 0.00 H new ATOM 0 HA GLU A 18 6.679 -16.073 1.215 1.00 0.00 H new ATOM 0 HB2 GLU A 18 7.888 -16.335 -1.154 1.00 0.00 H new ATOM 0 HB3 GLU A 18 8.303 -17.344 0.217 1.00 0.00 H new ATOM 0 HG2 GLU A 18 6.138 -18.261 -1.660 1.00 0.00 H new ATOM 0 HG3 GLU A 18 7.810 -18.391 -2.167 1.00 0.00 H new ATOM 260 N GLU A 19 5.245 -14.362 0.113 1.00 0.00 N ATOM 261 CA GLU A 19 4.565 -13.266 -0.567 1.00 0.00 C ATOM 262 C GLU A 19 5.069 -11.917 -0.061 1.00 0.00 C ATOM 263 O GLU A 19 4.856 -11.557 1.096 1.00 0.00 O ATOM 264 CB GLU A 19 3.053 -13.368 -0.359 1.00 0.00 C ATOM 265 CG GLU A 19 2.355 -14.244 -1.386 1.00 0.00 C ATOM 266 CD GLU A 19 0.898 -13.870 -1.578 1.00 0.00 C ATOM 267 OE1 GLU A 19 0.080 -14.199 -0.695 1.00 0.00 O ATOM 268 OE2 GLU A 19 0.577 -13.248 -2.613 1.00 0.00 O ATOM 0 H GLU A 19 5.405 -14.207 1.108 1.00 0.00 H new ATOM 0 HA GLU A 19 4.784 -13.341 -1.632 1.00 0.00 H new ATOM 0 HB2 GLU A 19 2.858 -13.765 0.637 1.00 0.00 H new ATOM 0 HB3 GLU A 19 2.622 -12.368 -0.394 1.00 0.00 H new ATOM 0 HG2 GLU A 19 2.876 -14.164 -2.340 1.00 0.00 H new ATOM 0 HG3 GLU A 19 2.421 -15.286 -1.074 1.00 0.00 H new ATOM 275 N SER A 20 5.739 -11.176 -0.939 1.00 0.00 N ATOM 276 CA SER A 20 6.277 -9.869 -0.582 1.00 0.00 C ATOM 277 C SER A 20 5.688 -8.777 -1.470 1.00 0.00 C ATOM 278 O SER A 20 5.510 -8.970 -2.673 1.00 0.00 O ATOM 279 CB SER A 20 7.803 -9.871 -0.703 1.00 0.00 C ATOM 280 OG SER A 20 8.362 -11.014 -0.078 1.00 0.00 O ATOM 0 H SER A 20 5.922 -11.459 -1.902 1.00 0.00 H new ATOM 0 HA SER A 20 6.001 -9.661 0.452 1.00 0.00 H new ATOM 0 HB2 SER A 20 8.088 -9.852 -1.755 1.00 0.00 H new ATOM 0 HB3 SER A 20 8.208 -8.968 -0.247 1.00 0.00 H new ATOM 0 HG SER A 20 9.337 -10.993 -0.170 1.00 0.00 H new ATOM 286 N SER A 21 5.386 -7.631 -0.867 1.00 0.00 N ATOM 287 CA SER A 21 4.813 -6.509 -1.601 1.00 0.00 C ATOM 288 C SER A 21 5.080 -5.193 -0.878 1.00 0.00 C ATOM 289 O SER A 21 5.282 -5.169 0.336 1.00 0.00 O ATOM 290 CB SER A 21 3.307 -6.708 -1.783 1.00 0.00 C ATOM 291 OG SER A 21 3.036 -7.836 -2.598 1.00 0.00 O ATOM 0 H SER A 21 5.529 -7.456 0.128 1.00 0.00 H new ATOM 0 HA SER A 21 5.288 -6.467 -2.581 1.00 0.00 H new ATOM 0 HB2 SER A 21 2.834 -6.837 -0.810 1.00 0.00 H new ATOM 0 HB3 SER A 21 2.871 -5.817 -2.234 1.00 0.00 H new ATOM 0 HG SER A 21 3.878 -8.276 -2.838 1.00 0.00 H new ATOM 297 N ALA A 22 5.079 -4.100 -1.633 1.00 0.00 N ATOM 298 CA ALA A 22 5.320 -2.779 -1.064 1.00 0.00 C ATOM 299 C ALA A 22 4.099 -1.880 -1.229 1.00 0.00 C ATOM 300 O ALA A 22 3.680 -1.583 -2.348 1.00 0.00 O ATOM 301 CB ALA A 22 6.539 -2.140 -1.711 1.00 0.00 C ATOM 0 H ALA A 22 4.914 -4.102 -2.640 1.00 0.00 H new ATOM 0 HA ALA A 22 5.510 -2.899 0.003 1.00 0.00 H new ATOM 0 HB1 ALA A 22 6.707 -1.155 -1.277 1.00 0.00 H new ATOM 0 HB2 ALA A 22 7.414 -2.767 -1.537 1.00 0.00 H new ATOM 0 HB3 ALA A 22 6.371 -2.040 -2.783 1.00 0.00 H new ATOM 307 N THR A 23 3.531 -1.450 -0.106 1.00 0.00 N ATOM 308 CA THR A 23 2.356 -0.588 -0.126 1.00 0.00 C ATOM 309 C THR A 23 2.706 0.826 0.324 1.00 0.00 C ATOM 310 O THR A 23 3.619 1.025 1.126 1.00 0.00 O ATOM 311 CB THR A 23 1.238 -1.140 0.778 1.00 0.00 C ATOM 312 OG1 THR A 23 0.044 -0.369 0.605 1.00 0.00 O ATOM 313 CG2 THR A 23 1.659 -1.112 2.238 1.00 0.00 C ATOM 0 H THR A 23 3.866 -1.685 0.828 1.00 0.00 H new ATOM 0 HA THR A 23 2.000 -0.562 -1.156 1.00 0.00 H new ATOM 0 HB THR A 23 1.047 -2.174 0.492 1.00 0.00 H new ATOM 0 HG1 THR A 23 -0.088 -0.180 -0.347 1.00 0.00 H new ATOM 0 HG21 THR A 23 0.853 -1.507 2.857 1.00 0.00 H new ATOM 0 HG22 THR A 23 2.551 -1.724 2.371 1.00 0.00 H new ATOM 0 HG23 THR A 23 1.875 -0.086 2.535 1.00 0.00 H new ATOM 321 N CYS A 24 1.975 1.805 -0.196 1.00 0.00 N ATOM 322 CA CYS A 24 2.208 3.202 0.152 1.00 0.00 C ATOM 323 C CYS A 24 0.891 3.920 0.429 1.00 0.00 C ATOM 324 O CYS A 24 -0.126 3.642 -0.207 1.00 0.00 O ATOM 325 CB CYS A 24 2.963 3.912 -0.973 1.00 0.00 C ATOM 326 SG CYS A 24 3.205 5.682 -0.697 1.00 0.00 S ATOM 0 H CYS A 24 1.215 1.657 -0.861 1.00 0.00 H new ATOM 0 HA CYS A 24 2.813 3.228 1.058 1.00 0.00 H new ATOM 0 HB2 CYS A 24 3.937 3.438 -1.098 1.00 0.00 H new ATOM 0 HB3 CYS A 24 2.418 3.772 -1.907 1.00 0.00 H new ATOM 0 HG CYS A 24 3.350 5.907 0.575 1.00 0.00 H new ATOM 332 N VAL A 25 0.916 4.846 1.383 1.00 0.00 N ATOM 333 CA VAL A 25 -0.274 5.604 1.745 1.00 0.00 C ATOM 334 C VAL A 25 -0.323 6.937 1.007 1.00 0.00 C ATOM 335 O VAL A 25 0.591 7.756 1.120 1.00 0.00 O ATOM 336 CB VAL A 25 -0.333 5.868 3.262 1.00 0.00 C ATOM 337 CG1 VAL A 25 -1.524 6.750 3.605 1.00 0.00 C ATOM 338 CG2 VAL A 25 -0.394 4.555 4.027 1.00 0.00 C ATOM 0 H VAL A 25 1.749 5.089 1.919 1.00 0.00 H new ATOM 0 HA VAL A 25 -1.133 4.999 1.455 1.00 0.00 H new ATOM 0 HB VAL A 25 0.575 6.394 3.558 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -1.549 6.925 4.680 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -1.433 7.703 3.084 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -2.445 6.254 3.297 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -0.435 4.759 5.097 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -1.284 4.001 3.729 1.00 0.00 H new ATOM 0 HG23 VAL A 25 0.494 3.963 3.804 1.00 0.00 H new ATOM 348 N LEU A 26 -1.395 7.151 0.252 1.00 0.00 N ATOM 349 CA LEU A 26 -1.564 8.386 -0.506 1.00 0.00 C ATOM 350 C LEU A 26 -2.579 9.303 0.167 1.00 0.00 C ATOM 351 O LEU A 26 -3.762 8.978 0.253 1.00 0.00 O ATOM 352 CB LEU A 26 -2.010 8.074 -1.935 1.00 0.00 C ATOM 353 CG LEU A 26 -2.494 9.265 -2.762 1.00 0.00 C ATOM 354 CD1 LEU A 26 -1.471 10.390 -2.730 1.00 0.00 C ATOM 355 CD2 LEU A 26 -2.776 8.841 -4.196 1.00 0.00 C ATOM 0 H LEU A 26 -2.161 6.485 0.148 1.00 0.00 H new ATOM 0 HA LEU A 26 -0.603 8.899 -0.536 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -1.177 7.607 -2.460 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -2.812 7.338 -1.891 1.00 0.00 H new ATOM 0 HG LEU A 26 -3.422 9.632 -2.323 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -1.834 11.229 -3.324 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -1.319 10.714 -1.700 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -0.527 10.035 -3.142 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -3.119 9.702 -4.769 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -1.864 8.447 -4.645 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -3.547 8.070 -4.203 1.00 0.00 H new ATOM 367 N GLU A 27 -2.108 10.453 0.642 1.00 0.00 N ATOM 368 CA GLU A 27 -2.977 11.417 1.306 1.00 0.00 C ATOM 369 C GLU A 27 -2.954 12.759 0.581 1.00 0.00 C ATOM 370 O GLU A 27 -2.005 13.072 -0.138 1.00 0.00 O ATOM 371 CB GLU A 27 -2.548 11.605 2.763 1.00 0.00 C ATOM 372 CG GLU A 27 -3.322 12.691 3.490 1.00 0.00 C ATOM 373 CD GLU A 27 -2.884 12.853 4.933 1.00 0.00 C ATOM 374 OE1 GLU A 27 -3.287 12.021 5.773 1.00 0.00 O ATOM 375 OE2 GLU A 27 -2.137 13.812 5.222 1.00 0.00 O ATOM 0 H GLU A 27 -1.131 10.739 0.579 1.00 0.00 H new ATOM 0 HA GLU A 27 -3.995 11.027 1.282 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -2.675 10.662 3.295 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -1.486 11.847 2.792 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -3.191 13.638 2.966 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -4.386 12.455 3.461 1.00 0.00 H new ATOM 382 N GLN A 28 -4.006 13.548 0.775 1.00 0.00 N ATOM 383 CA GLN A 28 -4.107 14.856 0.139 1.00 0.00 C ATOM 384 C GLN A 28 -4.825 15.849 1.046 1.00 0.00 C ATOM 385 O GLN A 28 -5.911 15.584 1.562 1.00 0.00 O ATOM 386 CB GLN A 28 -4.845 14.742 -1.196 1.00 0.00 C ATOM 387 CG GLN A 28 -3.934 14.430 -2.372 1.00 0.00 C ATOM 388 CD GLN A 28 -4.702 14.142 -3.646 1.00 0.00 C ATOM 389 OE1 GLN A 28 -5.765 14.715 -3.887 1.00 0.00 O ATOM 390 NE2 GLN A 28 -4.167 13.250 -4.471 1.00 0.00 N ATOM 0 H GLN A 28 -4.800 13.304 1.367 1.00 0.00 H new ATOM 0 HA GLN A 28 -3.096 15.222 -0.042 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -5.602 13.962 -1.117 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -5.370 15.677 -1.392 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -3.263 15.272 -2.540 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -3.311 13.570 -2.126 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -3.284 12.799 -4.232 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -4.639 13.016 -5.344 1.00 0.00 H new ATOM 399 N PRO A 29 -4.205 17.022 1.248 1.00 0.00 N ATOM 400 CA PRO A 29 -4.767 18.078 2.095 1.00 0.00 C ATOM 401 C PRO A 29 -5.999 18.726 1.473 1.00 0.00 C ATOM 402 O PRO A 29 -5.921 19.340 0.410 1.00 0.00 O ATOM 403 CB PRO A 29 -3.625 19.093 2.200 1.00 0.00 C ATOM 404 CG PRO A 29 -2.811 18.875 0.973 1.00 0.00 C ATOM 405 CD PRO A 29 -2.909 17.406 0.665 1.00 0.00 C ATOM 0 HA PRO A 29 -5.104 17.693 3.057 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -4.005 20.113 2.247 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -3.034 18.932 3.101 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -3.188 19.473 0.144 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -1.775 19.171 1.135 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -2.879 17.217 -0.408 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -2.086 16.846 1.110 1.00 0.00 H new ATOM 413 N GLY A 30 -7.139 18.584 2.144 1.00 0.00 N ATOM 414 CA GLY A 30 -8.372 19.161 1.641 1.00 0.00 C ATOM 415 C GLY A 30 -9.101 19.977 2.690 1.00 0.00 C ATOM 416 O GLY A 30 -8.811 19.870 3.881 1.00 0.00 O ATOM 0 H GLY A 30 -7.230 18.080 3.026 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -8.149 19.795 0.783 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -9.025 18.363 1.287 1.00 0.00 H new ATOM 420 N ALA A 31 -10.048 20.797 2.247 1.00 0.00 N ATOM 421 CA ALA A 31 -10.820 21.635 3.156 1.00 0.00 C ATOM 422 C ALA A 31 -11.100 20.909 4.468 1.00 0.00 C ATOM 423 O ALA A 31 -10.643 21.328 5.532 1.00 0.00 O ATOM 424 CB ALA A 31 -12.123 22.065 2.500 1.00 0.00 C ATOM 0 H ALA A 31 -10.299 20.899 1.264 1.00 0.00 H new ATOM 0 HA ALA A 31 -10.230 22.523 3.381 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -12.689 22.690 3.191 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -11.905 22.630 1.594 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -12.710 21.183 2.245 1.00 0.00 H new ATOM 430 N LEU A 32 -11.853 19.818 4.386 1.00 0.00 N ATOM 431 CA LEU A 32 -12.195 19.033 5.566 1.00 0.00 C ATOM 432 C LEU A 32 -10.979 18.852 6.471 1.00 0.00 C ATOM 433 O LEU A 32 -11.080 18.962 7.692 1.00 0.00 O ATOM 434 CB LEU A 32 -12.745 17.667 5.154 1.00 0.00 C ATOM 435 CG LEU A 32 -13.907 17.683 4.161 1.00 0.00 C ATOM 436 CD1 LEU A 32 -14.163 16.288 3.614 1.00 0.00 C ATOM 437 CD2 LEU A 32 -15.163 18.239 4.818 1.00 0.00 C ATOM 0 H LEU A 32 -12.239 19.457 3.514 1.00 0.00 H new ATOM 0 HA LEU A 32 -12.962 19.574 6.121 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -11.931 17.086 4.721 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -13.069 17.142 6.053 1.00 0.00 H new ATOM 0 HG LEU A 32 -13.638 18.333 3.328 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -14.994 16.320 2.909 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -13.269 15.927 3.105 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -14.410 15.615 4.435 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -15.980 18.243 4.096 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -15.434 17.616 5.670 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -14.975 19.257 5.159 1.00 0.00 H new ATOM 449 N GLY A 33 -9.831 18.577 5.861 1.00 0.00 N ATOM 450 CA GLY A 33 -8.612 18.387 6.626 1.00 0.00 C ATOM 451 C GLY A 33 -7.615 17.492 5.917 1.00 0.00 C ATOM 452 O GLY A 33 -6.553 17.948 5.494 1.00 0.00 O ATOM 0 H GLY A 33 -9.723 18.482 4.851 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -8.153 19.357 6.818 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -8.859 17.954 7.595 1.00 0.00 H new ATOM 456 N ALA A 34 -7.957 16.214 5.789 1.00 0.00 N ATOM 457 CA ALA A 34 -7.084 15.253 5.126 1.00 0.00 C ATOM 458 C ALA A 34 -7.856 14.006 4.711 1.00 0.00 C ATOM 459 O ALA A 34 -8.793 13.589 5.392 1.00 0.00 O ATOM 460 CB ALA A 34 -5.924 14.879 6.036 1.00 0.00 C ATOM 0 H ALA A 34 -8.832 15.820 6.136 1.00 0.00 H new ATOM 0 HA ALA A 34 -6.688 15.720 4.224 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -5.280 14.161 5.528 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -5.349 15.773 6.279 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -6.310 14.435 6.954 1.00 0.00 H new ATOM 466 N GLN A 35 -7.459 13.416 3.589 1.00 0.00 N ATOM 467 CA GLN A 35 -8.116 12.217 3.082 1.00 0.00 C ATOM 468 C GLN A 35 -7.132 11.340 2.312 1.00 0.00 C ATOM 469 O GLN A 35 -6.397 11.825 1.452 1.00 0.00 O ATOM 470 CB GLN A 35 -9.292 12.595 2.181 1.00 0.00 C ATOM 471 CG GLN A 35 -10.409 11.564 2.173 1.00 0.00 C ATOM 472 CD GLN A 35 -11.596 11.997 1.336 1.00 0.00 C ATOM 473 OE1 GLN A 35 -11.563 11.931 0.107 1.00 0.00 O ATOM 474 NE2 GLN A 35 -12.656 12.444 2.000 1.00 0.00 N ATOM 0 H GLN A 35 -6.685 13.748 3.013 1.00 0.00 H new ATOM 0 HA GLN A 35 -8.489 11.651 3.935 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -9.696 13.553 2.508 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -8.929 12.733 1.163 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -10.024 10.619 1.789 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -10.738 11.382 3.196 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -12.641 12.482 3.019 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -13.485 12.749 1.491 1.00 0.00 H new ATOM 483 N ILE A 36 -7.125 10.050 2.629 1.00 0.00 N ATOM 484 CA ILE A 36 -6.232 9.107 1.966 1.00 0.00 C ATOM 485 C ILE A 36 -6.975 8.297 0.909 1.00 0.00 C ATOM 486 O ILE A 36 -8.191 8.418 0.760 1.00 0.00 O ATOM 487 CB ILE A 36 -5.584 8.141 2.976 1.00 0.00 C ATOM 488 CG1 ILE A 36 -6.603 7.717 4.036 1.00 0.00 C ATOM 489 CG2 ILE A 36 -4.373 8.791 3.627 1.00 0.00 C ATOM 490 CD1 ILE A 36 -6.168 6.517 4.847 1.00 0.00 C ATOM 0 H ILE A 36 -7.727 9.634 3.340 1.00 0.00 H new ATOM 0 HA ILE A 36 -5.450 9.696 1.486 1.00 0.00 H new ATOM 0 HB ILE A 36 -5.251 7.250 2.443 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -6.784 8.554 4.710 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -7.551 7.491 3.547 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -3.926 8.097 4.338 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -3.641 9.047 2.861 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -4.683 9.696 4.150 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -6.939 6.273 5.578 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -6.015 5.666 4.184 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -5.236 6.746 5.364 1.00 0.00 H new ATOM 502 N LEU A 37 -6.236 7.469 0.179 1.00 0.00 N ATOM 503 CA LEU A 37 -6.824 6.636 -0.864 1.00 0.00 C ATOM 504 C LEU A 37 -6.886 5.176 -0.425 1.00 0.00 C ATOM 505 O LEU A 37 -6.038 4.710 0.337 1.00 0.00 O ATOM 506 CB LEU A 37 -6.017 6.758 -2.158 1.00 0.00 C ATOM 507 CG LEU A 37 -6.280 5.686 -3.217 1.00 0.00 C ATOM 508 CD1 LEU A 37 -7.593 5.956 -3.934 1.00 0.00 C ATOM 509 CD2 LEU A 37 -5.129 5.626 -4.211 1.00 0.00 C ATOM 0 H LEU A 37 -5.228 7.357 0.290 1.00 0.00 H new ATOM 0 HA LEU A 37 -7.841 6.986 -1.043 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -6.221 7.734 -2.599 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -4.957 6.738 -1.905 1.00 0.00 H new ATOM 0 HG LEU A 37 -6.354 4.719 -2.719 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -7.764 5.183 -4.684 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -8.410 5.948 -3.212 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -7.548 6.930 -4.421 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -5.332 4.858 -4.957 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -5.023 6.592 -4.704 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -4.206 5.384 -3.684 1.00 0.00 H new ATOM 521 N LEU A 38 -7.892 4.459 -0.913 1.00 0.00 N ATOM 522 CA LEU A 38 -8.063 3.051 -0.574 1.00 0.00 C ATOM 523 C LEU A 38 -8.632 2.272 -1.754 1.00 0.00 C ATOM 524 O LEU A 38 -9.690 2.612 -2.285 1.00 0.00 O ATOM 525 CB LEU A 38 -8.985 2.907 0.639 1.00 0.00 C ATOM 526 CG LEU A 38 -8.739 1.687 1.527 1.00 0.00 C ATOM 527 CD1 LEU A 38 -7.322 1.704 2.079 1.00 0.00 C ATOM 528 CD2 LEU A 38 -9.755 1.639 2.660 1.00 0.00 C ATOM 0 H LEU A 38 -8.602 4.830 -1.545 1.00 0.00 H new ATOM 0 HA LEU A 38 -7.083 2.640 -0.330 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -8.889 3.803 1.252 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -10.015 2.872 0.285 1.00 0.00 H new ATOM 0 HG LEU A 38 -8.858 0.790 0.920 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -7.166 0.828 2.708 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -6.610 1.689 1.254 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -7.173 2.607 2.671 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -9.565 0.764 3.282 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -9.667 2.541 3.266 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -10.761 1.577 2.244 1.00 0.00 H new ATOM 540 N VAL A 39 -7.925 1.221 -2.160 1.00 0.00 N ATOM 541 CA VAL A 39 -8.360 0.391 -3.276 1.00 0.00 C ATOM 542 C VAL A 39 -8.953 -0.925 -2.783 1.00 0.00 C ATOM 543 O VAL A 39 -8.565 -1.437 -1.733 1.00 0.00 O ATOM 544 CB VAL A 39 -7.197 0.089 -4.239 1.00 0.00 C ATOM 545 CG1 VAL A 39 -6.661 1.375 -4.849 1.00 0.00 C ATOM 546 CG2 VAL A 39 -6.092 -0.669 -3.518 1.00 0.00 C ATOM 0 H VAL A 39 -7.048 0.925 -1.732 1.00 0.00 H new ATOM 0 HA VAL A 39 -9.125 0.954 -3.810 1.00 0.00 H new ATOM 0 HB VAL A 39 -7.571 -0.540 -5.047 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -5.840 1.142 -5.527 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -7.457 1.875 -5.402 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -6.302 2.032 -4.056 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -5.278 -0.874 -4.213 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -5.719 -0.067 -2.690 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -6.487 -1.610 -3.134 1.00 0.00 H new ATOM 556 N GLN A 40 -9.894 -1.466 -3.548 1.00 0.00 N ATOM 557 CA GLN A 40 -10.541 -2.723 -3.190 1.00 0.00 C ATOM 558 C GLN A 40 -9.921 -3.891 -3.950 1.00 0.00 C ATOM 559 O GLN A 40 -9.274 -3.700 -4.980 1.00 0.00 O ATOM 560 CB GLN A 40 -12.041 -2.650 -3.477 1.00 0.00 C ATOM 561 CG GLN A 40 -12.788 -3.931 -3.142 1.00 0.00 C ATOM 562 CD GLN A 40 -14.279 -3.820 -3.394 1.00 0.00 C ATOM 563 OE1 GLN A 40 -14.743 -3.979 -4.523 1.00 0.00 O ATOM 564 NE2 GLN A 40 -15.039 -3.546 -2.340 1.00 0.00 N ATOM 0 H GLN A 40 -10.226 -1.054 -4.420 1.00 0.00 H new ATOM 0 HA GLN A 40 -10.391 -2.888 -2.123 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -12.472 -1.828 -2.906 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -12.190 -2.418 -4.532 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -12.383 -4.750 -3.737 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -12.618 -4.183 -2.095 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -14.612 -3.422 -1.422 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -16.050 -3.460 -2.449 1.00 0.00 H new ATOM 573 N ARG A 41 -10.125 -5.099 -3.436 1.00 0.00 N ATOM 574 CA ARG A 41 -9.584 -6.298 -4.067 1.00 0.00 C ATOM 575 C ARG A 41 -10.610 -6.928 -5.005 1.00 0.00 C ATOM 576 O ARG A 41 -11.819 -6.836 -4.794 1.00 0.00 O ATOM 577 CB ARG A 41 -9.160 -7.312 -3.003 1.00 0.00 C ATOM 578 CG ARG A 41 -7.908 -6.908 -2.242 1.00 0.00 C ATOM 579 CD ARG A 41 -7.126 -8.124 -1.772 1.00 0.00 C ATOM 580 NE ARG A 41 -5.716 -7.814 -1.545 1.00 0.00 N ATOM 581 CZ ARG A 41 -4.846 -7.591 -2.523 1.00 0.00 C ATOM 582 NH1 ARG A 41 -5.238 -7.643 -3.788 1.00 0.00 N ATOM 583 NH2 ARG A 41 -3.580 -7.314 -2.235 1.00 0.00 N ATOM 0 H ARG A 41 -10.660 -5.274 -2.585 1.00 0.00 H new ATOM 0 HA ARG A 41 -8.711 -6.009 -4.652 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -9.978 -7.447 -2.295 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -8.989 -8.277 -3.480 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -7.275 -6.292 -2.881 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -8.184 -6.297 -1.383 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -7.567 -8.504 -0.850 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -7.208 -8.917 -2.515 1.00 0.00 H new ATOM 0 HE ARG A 41 -5.382 -7.766 -0.582 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -6.210 -7.855 -4.012 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -4.567 -7.471 -4.537 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -3.276 -7.272 -1.262 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -2.912 -7.143 -2.986 1.00 0.00 H new ATOM 698 N LEU A 50 -12.290 -7.074 0.240 1.00 0.00 N ATOM 699 CA LEU A 50 -11.781 -6.261 1.339 1.00 0.00 C ATOM 700 C LEU A 50 -11.003 -5.059 0.812 1.00 0.00 C ATOM 701 O LEU A 50 -10.288 -5.158 -0.186 1.00 0.00 O ATOM 702 CB LEU A 50 -10.887 -7.101 2.250 1.00 0.00 C ATOM 703 CG LEU A 50 -11.608 -8.047 3.212 1.00 0.00 C ATOM 704 CD1 LEU A 50 -12.288 -7.262 4.322 1.00 0.00 C ATOM 705 CD2 LEU A 50 -12.620 -8.900 2.462 1.00 0.00 C ATOM 0 HA LEU A 50 -12.633 -5.896 1.913 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -10.218 -7.692 1.624 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -10.263 -6.426 2.836 1.00 0.00 H new ATOM 0 HG LEU A 50 -10.869 -8.709 3.663 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -12.796 -7.951 4.997 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -11.541 -6.695 4.877 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -13.016 -6.576 3.889 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -13.123 -9.567 3.162 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -13.356 -8.254 1.983 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -12.107 -9.491 1.703 1.00 0.00 H new ATOM 717 N TRP A 51 -11.146 -3.925 1.489 1.00 0.00 N ATOM 718 CA TRP A 51 -10.454 -2.705 1.090 1.00 0.00 C ATOM 719 C TRP A 51 -9.094 -2.602 1.770 1.00 0.00 C ATOM 720 O TRP A 51 -8.949 -2.951 2.942 1.00 0.00 O ATOM 721 CB TRP A 51 -11.302 -1.478 1.431 1.00 0.00 C ATOM 722 CG TRP A 51 -12.637 -1.470 0.749 1.00 0.00 C ATOM 723 CD1 TRP A 51 -13.776 -2.095 1.169 1.00 0.00 C ATOM 724 CD2 TRP A 51 -12.969 -0.807 -0.476 1.00 0.00 C ATOM 725 NE1 TRP A 51 -14.796 -1.860 0.280 1.00 0.00 N ATOM 726 CE2 TRP A 51 -14.327 -1.071 -0.738 1.00 0.00 C ATOM 727 CE3 TRP A 51 -12.252 -0.013 -1.376 1.00 0.00 C ATOM 728 CZ2 TRP A 51 -14.980 -0.572 -1.862 1.00 0.00 C ATOM 729 CZ3 TRP A 51 -12.901 0.482 -2.491 1.00 0.00 C ATOM 730 CH2 TRP A 51 -14.253 0.202 -2.725 1.00 0.00 C ATOM 0 H TRP A 51 -11.734 -3.825 2.316 1.00 0.00 H new ATOM 0 HA TRP A 51 -10.298 -2.743 0.012 1.00 0.00 H new ATOM 0 HB2 TRP A 51 -11.453 -1.438 2.510 1.00 0.00 H new ATOM 0 HB3 TRP A 51 -10.754 -0.578 1.152 1.00 0.00 H new ATOM 0 HD1 TRP A 51 -13.862 -2.687 2.068 1.00 0.00 H new ATOM 0 HE1 TRP A 51 -15.749 -2.215 0.364 1.00 0.00 H new ATOM 0 HE3 TRP A 51 -11.209 0.210 -1.203 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 -16.022 -0.788 -2.046 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 -12.356 1.095 -3.194 1.00 0.00 H new ATOM 0 HH2 TRP A 51 -14.732 0.605 -3.605 1.00 0.00 H new ATOM 741 N GLU A 52 -8.100 -2.122 1.029 1.00 0.00 N ATOM 742 CA GLU A 52 -6.751 -1.976 1.563 1.00 0.00 C ATOM 743 C GLU A 52 -5.898 -1.096 0.652 1.00 0.00 C ATOM 744 O GLU A 52 -6.130 -1.024 -0.555 1.00 0.00 O ATOM 745 CB GLU A 52 -6.092 -3.346 1.729 1.00 0.00 C ATOM 746 CG GLU A 52 -6.441 -4.327 0.622 1.00 0.00 C ATOM 747 CD GLU A 52 -5.876 -5.712 0.870 1.00 0.00 C ATOM 748 OE1 GLU A 52 -4.702 -5.945 0.514 1.00 0.00 O ATOM 749 OE2 GLU A 52 -6.607 -6.563 1.420 1.00 0.00 O ATOM 0 H GLU A 52 -8.204 -1.828 0.058 1.00 0.00 H new ATOM 0 HA GLU A 52 -6.825 -1.496 2.539 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -5.010 -3.218 1.762 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -6.392 -3.770 2.687 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -7.525 -4.392 0.528 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -6.061 -3.948 -0.327 1.00 0.00 H new ATOM 756 N PHE A 53 -4.912 -0.428 1.240 1.00 0.00 N ATOM 757 CA PHE A 53 -4.024 0.448 0.484 1.00 0.00 C ATOM 758 C PHE A 53 -3.386 -0.301 -0.683 1.00 0.00 C ATOM 759 O PHE A 53 -3.107 -1.498 -0.608 1.00 0.00 O ATOM 760 CB PHE A 53 -2.936 1.018 1.396 1.00 0.00 C ATOM 761 CG PHE A 53 -3.477 1.710 2.614 1.00 0.00 C ATOM 762 CD1 PHE A 53 -4.482 2.656 2.501 1.00 0.00 C ATOM 763 CD2 PHE A 53 -2.980 1.412 3.874 1.00 0.00 C ATOM 764 CE1 PHE A 53 -4.982 3.294 3.621 1.00 0.00 C ATOM 765 CE2 PHE A 53 -3.476 2.046 4.997 1.00 0.00 C ATOM 766 CZ PHE A 53 -4.478 2.989 4.870 1.00 0.00 C ATOM 0 H PHE A 53 -4.707 -0.476 2.238 1.00 0.00 H new ATOM 0 HA PHE A 53 -4.619 1.269 0.084 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -2.276 0.209 1.710 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -2.329 1.722 0.827 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -4.880 2.898 1.527 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -2.196 0.676 3.979 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -5.766 4.030 3.519 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -3.081 1.805 5.973 1.00 0.00 H new ATOM 0 HZ PHE A 53 -4.866 3.487 5.746 1.00 0.00 H new ATOM 776 N PRO A 54 -3.148 0.420 -1.789 1.00 0.00 N ATOM 777 CA PRO A 54 -2.539 -0.154 -2.992 1.00 0.00 C ATOM 778 C PRO A 54 -1.070 -0.507 -2.788 1.00 0.00 C ATOM 779 O PRO A 54 -0.335 0.220 -2.120 1.00 0.00 O ATOM 780 CB PRO A 54 -2.682 0.963 -4.030 1.00 0.00 C ATOM 781 CG PRO A 54 -2.753 2.216 -3.229 1.00 0.00 C ATOM 782 CD PRO A 54 -3.454 1.851 -1.949 1.00 0.00 C ATOM 0 HA PRO A 54 -3.017 -1.089 -3.283 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -1.834 0.978 -4.715 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -3.578 0.829 -4.635 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -1.756 2.609 -3.029 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -3.299 2.992 -3.766 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -3.085 2.437 -1.107 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -4.528 2.028 -2.014 1.00 0.00 H new ATOM 790 N SER A 55 -0.648 -1.626 -3.368 1.00 0.00 N ATOM 791 CA SER A 55 0.733 -2.077 -3.246 1.00 0.00 C ATOM 792 C SER A 55 1.186 -2.789 -4.517 1.00 0.00 C ATOM 793 O SER A 55 0.366 -3.279 -5.293 1.00 0.00 O ATOM 794 CB SER A 55 0.883 -3.009 -2.042 1.00 0.00 C ATOM 795 OG SER A 55 0.655 -4.358 -2.412 1.00 0.00 O ATOM 0 H SER A 55 -1.243 -2.237 -3.927 1.00 0.00 H new ATOM 0 HA SER A 55 1.364 -1.201 -3.098 1.00 0.00 H new ATOM 0 HB2 SER A 55 1.884 -2.908 -1.622 1.00 0.00 H new ATOM 0 HB3 SER A 55 0.179 -2.718 -1.262 1.00 0.00 H new ATOM 0 HG SER A 55 0.758 -4.935 -1.626 1.00 0.00 H new ATOM 801 N VAL A 56 2.498 -2.843 -4.722 1.00 0.00 N ATOM 802 CA VAL A 56 3.063 -3.496 -5.896 1.00 0.00 C ATOM 803 C VAL A 56 3.968 -4.657 -5.499 1.00 0.00 C ATOM 804 O VAL A 56 4.150 -4.939 -4.314 1.00 0.00 O ATOM 805 CB VAL A 56 3.866 -2.505 -6.759 1.00 0.00 C ATOM 806 CG1 VAL A 56 3.009 -1.306 -7.134 1.00 0.00 C ATOM 807 CG2 VAL A 56 5.125 -2.063 -6.027 1.00 0.00 C ATOM 0 H VAL A 56 3.190 -2.442 -4.089 1.00 0.00 H new ATOM 0 HA VAL A 56 2.224 -3.877 -6.479 1.00 0.00 H new ATOM 0 HB VAL A 56 4.164 -3.009 -7.679 1.00 0.00 H new ATOM 0 HG11 VAL A 56 3.594 -0.617 -7.744 1.00 0.00 H new ATOM 0 HG12 VAL A 56 2.140 -1.643 -7.699 1.00 0.00 H new ATOM 0 HG13 VAL A 56 2.678 -0.798 -6.228 1.00 0.00 H new ATOM 0 HG21 VAL A 56 5.681 -1.363 -6.650 1.00 0.00 H new ATOM 0 HG22 VAL A 56 4.850 -1.576 -5.091 1.00 0.00 H new ATOM 0 HG23 VAL A 56 5.747 -2.933 -5.815 1.00 0.00 H new ATOM 817 N THR A 57 4.533 -5.328 -6.497 1.00 0.00 N ATOM 818 CA THR A 57 5.419 -6.459 -6.252 1.00 0.00 C ATOM 819 C THR A 57 6.661 -6.028 -5.481 1.00 0.00 C ATOM 820 O THR A 57 7.110 -4.888 -5.596 1.00 0.00 O ATOM 821 CB THR A 57 5.854 -7.129 -7.570 1.00 0.00 C ATOM 822 OG1 THR A 57 6.888 -8.086 -7.315 1.00 0.00 O ATOM 823 CG2 THR A 57 6.349 -6.092 -8.566 1.00 0.00 C ATOM 0 H THR A 57 4.393 -5.108 -7.483 1.00 0.00 H new ATOM 0 HA THR A 57 4.856 -7.177 -5.656 1.00 0.00 H new ATOM 0 HB THR A 57 4.989 -7.636 -7.998 1.00 0.00 H new ATOM 0 HG1 THR A 57 7.158 -8.508 -8.157 1.00 0.00 H new ATOM 0 HG21 THR A 57 6.651 -6.588 -9.488 1.00 0.00 H new ATOM 0 HG22 THR A 57 5.550 -5.383 -8.780 1.00 0.00 H new ATOM 0 HG23 THR A 57 7.202 -5.561 -8.144 1.00 0.00 H new ATOM 831 N TRP A 58 7.213 -6.946 -4.696 1.00 0.00 N ATOM 832 CA TRP A 58 8.405 -6.660 -3.906 1.00 0.00 C ATOM 833 C TRP A 58 9.618 -6.455 -4.807 1.00 0.00 C ATOM 834 O TRP A 58 9.722 -7.064 -5.871 1.00 0.00 O ATOM 835 CB TRP A 58 8.674 -7.796 -2.918 1.00 0.00 C ATOM 836 CG TRP A 58 9.893 -7.575 -2.075 1.00 0.00 C ATOM 837 CD1 TRP A 58 9.967 -6.861 -0.913 1.00 0.00 C ATOM 838 CD2 TRP A 58 11.212 -8.070 -2.330 1.00 0.00 C ATOM 839 NE1 TRP A 58 11.253 -6.882 -0.430 1.00 0.00 N ATOM 840 CE2 TRP A 58 12.035 -7.618 -1.280 1.00 0.00 C ATOM 841 CE3 TRP A 58 11.776 -8.852 -3.340 1.00 0.00 C ATOM 842 CZ2 TRP A 58 13.393 -7.922 -1.215 1.00 0.00 C ATOM 843 CZ3 TRP A 58 13.124 -9.153 -3.275 1.00 0.00 C ATOM 844 CH2 TRP A 58 13.919 -8.689 -2.219 1.00 0.00 C ATOM 0 H TRP A 58 6.854 -7.895 -4.590 1.00 0.00 H new ATOM 0 HA TRP A 58 8.229 -5.740 -3.349 1.00 0.00 H new ATOM 0 HB2 TRP A 58 7.808 -7.914 -2.267 1.00 0.00 H new ATOM 0 HB3 TRP A 58 8.787 -8.729 -3.470 1.00 0.00 H new ATOM 0 HD1 TRP A 58 9.137 -6.355 -0.443 1.00 0.00 H new ATOM 0 HE1 TRP A 58 11.573 -6.424 0.423 1.00 0.00 H new ATOM 0 HE3 TRP A 58 11.170 -9.215 -4.157 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 14.008 -7.565 -0.402 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 13.571 -9.756 -4.051 1.00 0.00 H new ATOM 0 HH2 TRP A 58 14.969 -8.942 -2.197 1.00 0.00 H new ATOM 855 N GLU A 59 10.536 -5.595 -4.372 1.00 0.00 N ATOM 856 CA GLU A 59 11.742 -5.312 -5.142 1.00 0.00 C ATOM 857 C GLU A 59 12.978 -5.354 -4.249 1.00 0.00 C ATOM 858 O GLU A 59 13.006 -4.786 -3.157 1.00 0.00 O ATOM 859 CB GLU A 59 11.633 -3.944 -5.816 1.00 0.00 C ATOM 860 CG GLU A 59 10.601 -3.895 -6.932 1.00 0.00 C ATOM 861 CD GLU A 59 11.060 -4.622 -8.182 1.00 0.00 C ATOM 862 OE1 GLU A 59 11.536 -5.769 -8.060 1.00 0.00 O ATOM 863 OE2 GLU A 59 10.941 -4.041 -9.281 1.00 0.00 O ATOM 0 H GLU A 59 10.467 -5.084 -3.492 1.00 0.00 H new ATOM 0 HA GLU A 59 11.842 -6.080 -5.909 1.00 0.00 H new ATOM 0 HB2 GLU A 59 11.378 -3.197 -5.064 1.00 0.00 H new ATOM 0 HB3 GLU A 59 12.607 -3.669 -6.221 1.00 0.00 H new ATOM 0 HG2 GLU A 59 9.669 -4.338 -6.580 1.00 0.00 H new ATOM 0 HG3 GLU A 59 10.387 -2.855 -7.179 1.00 0.00 H new ATOM 870 N PRO A 60 14.027 -6.044 -4.722 1.00 0.00 N ATOM 871 CA PRO A 60 15.285 -6.178 -3.984 1.00 0.00 C ATOM 872 C PRO A 60 16.058 -4.864 -3.913 1.00 0.00 C ATOM 873 O PRO A 60 16.865 -4.657 -3.007 1.00 0.00 O ATOM 874 CB PRO A 60 16.065 -7.213 -4.798 1.00 0.00 C ATOM 875 CG PRO A 60 15.514 -7.105 -6.177 1.00 0.00 C ATOM 876 CD PRO A 60 14.062 -6.747 -6.016 1.00 0.00 C ATOM 0 HA PRO A 60 15.120 -6.468 -2.946 1.00 0.00 H new ATOM 0 HB2 PRO A 60 17.135 -7.005 -4.782 1.00 0.00 H new ATOM 0 HB3 PRO A 60 15.930 -8.217 -4.395 1.00 0.00 H new ATOM 0 HG2 PRO A 60 16.043 -6.343 -6.750 1.00 0.00 H new ATOM 0 HG3 PRO A 60 15.627 -8.045 -6.717 1.00 0.00 H new ATOM 0 HD2 PRO A 60 13.712 -6.111 -6.829 1.00 0.00 H new ATOM 0 HD3 PRO A 60 13.428 -7.633 -6.009 1.00 0.00 H new ATOM 884 N SER A 61 15.804 -3.982 -4.873 1.00 0.00 N ATOM 885 CA SER A 61 16.478 -2.689 -4.920 1.00 0.00 C ATOM 886 C SER A 61 15.583 -1.589 -4.359 1.00 0.00 C ATOM 887 O SER A 61 14.431 -1.442 -4.768 1.00 0.00 O ATOM 888 CB SER A 61 16.880 -2.353 -6.357 1.00 0.00 C ATOM 889 OG SER A 61 17.952 -1.425 -6.383 1.00 0.00 O ATOM 0 H SER A 61 15.137 -4.138 -5.629 1.00 0.00 H new ATOM 0 HA SER A 61 17.375 -2.751 -4.304 1.00 0.00 H new ATOM 0 HB2 SER A 61 17.171 -3.264 -6.879 1.00 0.00 H new ATOM 0 HB3 SER A 61 16.024 -1.940 -6.890 1.00 0.00 H new ATOM 0 HG SER A 61 18.191 -1.228 -7.313 1.00 0.00 H new ATOM 895 N GLU A 62 16.122 -0.817 -3.420 1.00 0.00 N ATOM 896 CA GLU A 62 15.371 0.271 -2.803 1.00 0.00 C ATOM 897 C GLU A 62 14.680 1.125 -3.862 1.00 0.00 C ATOM 898 O GLU A 62 13.553 1.579 -3.668 1.00 0.00 O ATOM 899 CB GLU A 62 16.299 1.142 -1.954 1.00 0.00 C ATOM 900 CG GLU A 62 17.074 2.171 -2.760 1.00 0.00 C ATOM 901 CD GLU A 62 18.120 1.542 -3.658 1.00 0.00 C ATOM 902 OE1 GLU A 62 19.094 0.971 -3.126 1.00 0.00 O ATOM 903 OE2 GLU A 62 17.964 1.621 -4.896 1.00 0.00 O ATOM 0 H GLU A 62 17.074 -0.924 -3.070 1.00 0.00 H new ATOM 0 HA GLU A 62 14.607 -0.167 -2.161 1.00 0.00 H new ATOM 0 HB2 GLU A 62 15.708 1.656 -1.196 1.00 0.00 H new ATOM 0 HB3 GLU A 62 17.004 0.500 -1.426 1.00 0.00 H new ATOM 0 HG2 GLU A 62 16.378 2.749 -3.369 1.00 0.00 H new ATOM 0 HG3 GLU A 62 17.559 2.870 -2.079 1.00 0.00 H new ATOM 910 N GLN A 63 15.366 1.340 -4.980 1.00 0.00 N ATOM 911 CA GLN A 63 14.818 2.140 -6.069 1.00 0.00 C ATOM 912 C GLN A 63 13.688 1.399 -6.775 1.00 0.00 C ATOM 913 O GLN A 63 12.530 1.815 -6.721 1.00 0.00 O ATOM 914 CB GLN A 63 15.917 2.494 -7.072 1.00 0.00 C ATOM 915 CG GLN A 63 15.402 3.199 -8.316 1.00 0.00 C ATOM 916 CD GLN A 63 16.469 4.028 -9.003 1.00 0.00 C ATOM 917 OE1 GLN A 63 17.117 4.867 -8.377 1.00 0.00 O ATOM 918 NE2 GLN A 63 16.658 3.797 -10.297 1.00 0.00 N ATOM 0 H GLN A 63 16.301 0.972 -5.155 1.00 0.00 H new ATOM 0 HA GLN A 63 14.414 3.059 -5.643 1.00 0.00 H new ATOM 0 HB2 GLN A 63 16.653 3.131 -6.582 1.00 0.00 H new ATOM 0 HB3 GLN A 63 16.433 1.581 -7.369 1.00 0.00 H new ATOM 0 HG2 GLN A 63 15.017 2.457 -9.016 1.00 0.00 H new ATOM 0 HG3 GLN A 63 14.566 3.844 -8.044 1.00 0.00 H new ATOM 0 HE21 GLN A 63 16.098 3.092 -10.776 1.00 0.00 H new ATOM 0 HE22 GLN A 63 17.363 4.325 -10.812 1.00 0.00 H new ATOM 927 N LEU A 64 14.032 0.300 -7.438 1.00 0.00 N ATOM 928 CA LEU A 64 13.047 -0.500 -8.156 1.00 0.00 C ATOM 929 C LEU A 64 11.717 -0.527 -7.409 1.00 0.00 C ATOM 930 O LEU A 64 10.651 -0.418 -8.015 1.00 0.00 O ATOM 931 CB LEU A 64 13.563 -1.927 -8.352 1.00 0.00 C ATOM 932 CG LEU A 64 14.516 -2.140 -9.528 1.00 0.00 C ATOM 933 CD1 LEU A 64 15.555 -1.031 -9.581 1.00 0.00 C ATOM 934 CD2 LEU A 64 15.189 -3.501 -9.429 1.00 0.00 C ATOM 0 H LEU A 64 14.986 -0.057 -7.493 1.00 0.00 H new ATOM 0 HA LEU A 64 12.886 -0.041 -9.132 1.00 0.00 H new ATOM 0 HB2 LEU A 64 14.070 -2.237 -7.438 1.00 0.00 H new ATOM 0 HB3 LEU A 64 12.706 -2.588 -8.481 1.00 0.00 H new ATOM 0 HG LEU A 64 13.937 -2.110 -10.451 1.00 0.00 H new ATOM 0 HD11 LEU A 64 16.224 -1.200 -10.424 1.00 0.00 H new ATOM 0 HD12 LEU A 64 15.055 -0.070 -9.701 1.00 0.00 H new ATOM 0 HD13 LEU A 64 16.131 -1.028 -8.656 1.00 0.00 H new ATOM 0 HD21 LEU A 64 15.864 -3.636 -10.274 1.00 0.00 H new ATOM 0 HD22 LEU A 64 15.755 -3.560 -8.500 1.00 0.00 H new ATOM 0 HD23 LEU A 64 14.431 -4.284 -9.442 1.00 0.00 H new ATOM 946 N GLN A 65 11.789 -0.670 -6.090 1.00 0.00 N ATOM 947 CA GLN A 65 10.591 -0.709 -5.259 1.00 0.00 C ATOM 948 C GLN A 65 9.771 0.567 -5.426 1.00 0.00 C ATOM 949 O GLN A 65 8.573 0.514 -5.702 1.00 0.00 O ATOM 950 CB GLN A 65 10.969 -0.896 -3.789 1.00 0.00 C ATOM 951 CG GLN A 65 9.892 -1.587 -2.967 1.00 0.00 C ATOM 952 CD GLN A 65 8.492 -1.258 -3.446 1.00 0.00 C ATOM 953 OE1 GLN A 65 7.871 -0.304 -2.976 1.00 0.00 O ATOM 954 NE2 GLN A 65 7.987 -2.046 -4.387 1.00 0.00 N ATOM 0 H GLN A 65 12.664 -0.761 -5.573 1.00 0.00 H new ATOM 0 HA GLN A 65 9.984 -1.555 -5.581 1.00 0.00 H new ATOM 0 HB2 GLN A 65 11.889 -1.478 -3.730 1.00 0.00 H new ATOM 0 HB3 GLN A 65 11.180 0.079 -3.350 1.00 0.00 H new ATOM 0 HG2 GLN A 65 10.043 -2.666 -3.011 1.00 0.00 H new ATOM 0 HG3 GLN A 65 9.993 -1.293 -1.922 1.00 0.00 H new ATOM 0 HE21 GLN A 65 8.537 -2.826 -4.748 1.00 0.00 H new ATOM 0 HE22 GLN A 65 7.049 -1.872 -4.749 1.00 0.00 H new ATOM 963 N ARG A 66 10.425 1.711 -5.257 1.00 0.00 N ATOM 964 CA ARG A 66 9.756 3.000 -5.388 1.00 0.00 C ATOM 965 C ARG A 66 9.282 3.224 -6.820 1.00 0.00 C ATOM 966 O ARG A 66 8.143 3.630 -7.053 1.00 0.00 O ATOM 967 CB ARG A 66 10.696 4.132 -4.967 1.00 0.00 C ATOM 968 CG ARG A 66 11.288 3.948 -3.580 1.00 0.00 C ATOM 969 CD ARG A 66 12.502 4.840 -3.369 1.00 0.00 C ATOM 970 NE ARG A 66 12.679 5.201 -1.965 1.00 0.00 N ATOM 971 CZ ARG A 66 13.599 6.059 -1.537 1.00 0.00 C ATOM 972 NH1 ARG A 66 14.420 6.640 -2.400 1.00 0.00 N ATOM 973 NH2 ARG A 66 13.698 6.336 -0.243 1.00 0.00 N ATOM 0 H ARG A 66 11.417 1.772 -5.029 1.00 0.00 H new ATOM 0 HA ARG A 66 8.885 2.997 -4.732 1.00 0.00 H new ATOM 0 HB2 ARG A 66 11.507 4.208 -5.692 1.00 0.00 H new ATOM 0 HB3 ARG A 66 10.151 5.076 -4.998 1.00 0.00 H new ATOM 0 HG2 ARG A 66 10.533 4.176 -2.828 1.00 0.00 H new ATOM 0 HG3 ARG A 66 11.573 2.905 -3.440 1.00 0.00 H new ATOM 0 HD2 ARG A 66 13.395 4.327 -3.727 1.00 0.00 H new ATOM 0 HD3 ARG A 66 12.394 5.746 -3.965 1.00 0.00 H new ATOM 0 HE ARG A 66 12.063 4.771 -1.275 1.00 0.00 H new ATOM 0 HH11 ARG A 66 14.346 6.429 -3.395 1.00 0.00 H new ATOM 0 HH12 ARG A 66 15.125 7.298 -2.069 1.00 0.00 H new ATOM 0 HH21 ARG A 66 13.068 5.890 0.424 1.00 0.00 H new ATOM 0 HH22 ARG A 66 14.404 6.995 0.085 1.00 0.00 H new ATOM 987 N LYS A 67 10.163 2.956 -7.778 1.00 0.00 N ATOM 988 CA LYS A 67 9.836 3.127 -9.189 1.00 0.00 C ATOM 989 C LYS A 67 8.484 2.500 -9.514 1.00 0.00 C ATOM 990 O LYS A 67 7.582 3.172 -10.014 1.00 0.00 O ATOM 991 CB LYS A 67 10.923 2.500 -10.065 1.00 0.00 C ATOM 992 CG LYS A 67 12.118 3.409 -10.293 1.00 0.00 C ATOM 993 CD LYS A 67 13.198 2.715 -11.107 1.00 0.00 C ATOM 994 CE LYS A 67 12.671 2.253 -12.456 1.00 0.00 C ATOM 995 NZ LYS A 67 13.757 2.142 -13.468 1.00 0.00 N ATOM 0 H LYS A 67 11.110 2.619 -7.603 1.00 0.00 H new ATOM 0 HA LYS A 67 9.781 4.196 -9.396 1.00 0.00 H new ATOM 0 HB2 LYS A 67 11.264 1.575 -9.600 1.00 0.00 H new ATOM 0 HB3 LYS A 67 10.491 2.232 -11.029 1.00 0.00 H new ATOM 0 HG2 LYS A 67 11.796 4.313 -10.810 1.00 0.00 H new ATOM 0 HG3 LYS A 67 12.528 3.720 -9.332 1.00 0.00 H new ATOM 0 HD2 LYS A 67 14.036 3.396 -11.257 1.00 0.00 H new ATOM 0 HD3 LYS A 67 13.579 1.858 -10.552 1.00 0.00 H new ATOM 0 HE2 LYS A 67 12.181 1.286 -12.342 1.00 0.00 H new ATOM 0 HE3 LYS A 67 11.915 2.954 -12.810 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 13.356 1.824 -14.374 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 14.209 3.070 -13.596 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 14.466 1.454 -13.143 1.00 0.00 H new ATOM 1009 N ALA A 68 8.348 1.211 -9.223 1.00 0.00 N ATOM 1010 CA ALA A 68 7.105 0.495 -9.481 1.00 0.00 C ATOM 1011 C ALA A 68 6.020 0.905 -8.489 1.00 0.00 C ATOM 1012 O ALA A 68 4.912 1.271 -8.883 1.00 0.00 O ATOM 1013 CB ALA A 68 7.337 -1.008 -9.421 1.00 0.00 C ATOM 0 H ALA A 68 9.084 0.640 -8.808 1.00 0.00 H new ATOM 0 HA ALA A 68 6.765 0.758 -10.483 1.00 0.00 H new ATOM 0 HB1 ALA A 68 6.400 -1.529 -9.616 1.00 0.00 H new ATOM 0 HB2 ALA A 68 8.073 -1.293 -10.173 1.00 0.00 H new ATOM 0 HB3 ALA A 68 7.705 -1.280 -8.432 1.00 0.00 H new ATOM 1019 N LEU A 69 6.346 0.839 -7.204 1.00 0.00 N ATOM 1020 CA LEU A 69 5.399 1.203 -6.155 1.00 0.00 C ATOM 1021 C LEU A 69 4.502 2.352 -6.606 1.00 0.00 C ATOM 1022 O LEU A 69 3.338 2.436 -6.214 1.00 0.00 O ATOM 1023 CB LEU A 69 6.146 1.595 -4.879 1.00 0.00 C ATOM 1024 CG LEU A 69 5.338 2.374 -3.841 1.00 0.00 C ATOM 1025 CD1 LEU A 69 4.181 1.533 -3.324 1.00 0.00 C ATOM 1026 CD2 LEU A 69 6.233 2.818 -2.692 1.00 0.00 C ATOM 0 H LEU A 69 7.258 0.537 -6.862 1.00 0.00 H new ATOM 0 HA LEU A 69 4.772 0.336 -5.949 1.00 0.00 H new ATOM 0 HB2 LEU A 69 6.523 0.687 -4.409 1.00 0.00 H new ATOM 0 HB3 LEU A 69 7.013 2.193 -5.159 1.00 0.00 H new ATOM 0 HG LEU A 69 4.928 3.263 -4.320 1.00 0.00 H new ATOM 0 HD11 LEU A 69 3.617 2.104 -2.586 1.00 0.00 H new ATOM 0 HD12 LEU A 69 3.526 1.266 -4.153 1.00 0.00 H new ATOM 0 HD13 LEU A 69 4.569 0.626 -2.861 1.00 0.00 H new ATOM 0 HD21 LEU A 69 5.641 3.371 -1.963 1.00 0.00 H new ATOM 0 HD22 LEU A 69 6.673 1.943 -2.214 1.00 0.00 H new ATOM 0 HD23 LEU A 69 7.027 3.459 -3.076 1.00 0.00 H new ATOM 1038 N LEU A 70 5.052 3.234 -7.434 1.00 0.00 N ATOM 1039 CA LEU A 70 4.300 4.377 -7.941 1.00 0.00 C ATOM 1040 C LEU A 70 3.529 4.006 -9.203 1.00 0.00 C ATOM 1041 O LEU A 70 2.368 4.379 -9.363 1.00 0.00 O ATOM 1042 CB LEU A 70 5.245 5.544 -8.232 1.00 0.00 C ATOM 1043 CG LEU A 70 5.891 6.205 -7.014 1.00 0.00 C ATOM 1044 CD1 LEU A 70 6.974 7.181 -7.447 1.00 0.00 C ATOM 1045 CD2 LEU A 70 4.840 6.911 -6.170 1.00 0.00 C ATOM 0 H LEU A 70 6.014 3.180 -7.768 1.00 0.00 H new ATOM 0 HA LEU A 70 3.584 4.678 -7.176 1.00 0.00 H new ATOM 0 HB2 LEU A 70 6.038 5.188 -8.890 1.00 0.00 H new ATOM 0 HB3 LEU A 70 4.692 6.305 -8.782 1.00 0.00 H new ATOM 0 HG LEU A 70 6.354 5.428 -6.406 1.00 0.00 H new ATOM 0 HD11 LEU A 70 7.422 7.641 -6.566 1.00 0.00 H new ATOM 0 HD12 LEU A 70 7.741 6.648 -8.008 1.00 0.00 H new ATOM 0 HD13 LEU A 70 6.536 7.955 -8.078 1.00 0.00 H new ATOM 0 HD21 LEU A 70 5.318 7.376 -5.308 1.00 0.00 H new ATOM 0 HD22 LEU A 70 4.347 7.677 -6.768 1.00 0.00 H new ATOM 0 HD23 LEU A 70 4.101 6.186 -5.829 1.00 0.00 H new ATOM 1057 N GLN A 71 4.182 3.267 -10.094 1.00 0.00 N ATOM 1058 CA GLN A 71 3.557 2.844 -11.341 1.00 0.00 C ATOM 1059 C GLN A 71 2.137 2.342 -11.095 1.00 0.00 C ATOM 1060 O GLN A 71 1.268 2.463 -11.957 1.00 0.00 O ATOM 1061 CB GLN A 71 4.390 1.748 -12.008 1.00 0.00 C ATOM 1062 CG GLN A 71 3.945 0.341 -11.646 1.00 0.00 C ATOM 1063 CD GLN A 71 4.673 -0.725 -12.443 1.00 0.00 C ATOM 1064 OE1 GLN A 71 5.621 -1.341 -11.956 1.00 0.00 O ATOM 1065 NE2 GLN A 71 4.232 -0.947 -13.676 1.00 0.00 N ATOM 0 H GLN A 71 5.144 2.949 -9.975 1.00 0.00 H new ATOM 0 HA GLN A 71 3.508 3.707 -12.005 1.00 0.00 H new ATOM 0 HB2 GLN A 71 4.336 1.870 -13.090 1.00 0.00 H new ATOM 0 HB3 GLN A 71 5.435 1.874 -11.724 1.00 0.00 H new ATOM 0 HG2 GLN A 71 4.114 0.173 -10.582 1.00 0.00 H new ATOM 0 HG3 GLN A 71 2.872 0.248 -11.817 1.00 0.00 H new ATOM 0 HE21 GLN A 71 3.443 -0.413 -14.039 1.00 0.00 H new ATOM 0 HE22 GLN A 71 4.683 -1.652 -14.260 1.00 0.00 H new ATOM 1074 N GLU A 72 1.912 1.777 -9.913 1.00 0.00 N ATOM 1075 CA GLU A 72 0.598 1.255 -9.555 1.00 0.00 C ATOM 1076 C GLU A 72 -0.314 2.372 -9.057 1.00 0.00 C ATOM 1077 O GLU A 72 -1.408 2.577 -9.586 1.00 0.00 O ATOM 1078 CB GLU A 72 0.730 0.173 -8.481 1.00 0.00 C ATOM 1079 CG GLU A 72 -0.605 -0.361 -7.989 1.00 0.00 C ATOM 1080 CD GLU A 72 -1.108 -1.527 -8.819 1.00 0.00 C ATOM 1081 OE1 GLU A 72 -0.839 -1.548 -10.038 1.00 0.00 O ATOM 1082 OE2 GLU A 72 -1.771 -2.418 -8.248 1.00 0.00 O ATOM 0 H GLU A 72 2.621 1.669 -9.188 1.00 0.00 H new ATOM 0 HA GLU A 72 0.153 0.818 -10.449 1.00 0.00 H new ATOM 0 HB2 GLU A 72 1.318 -0.654 -8.880 1.00 0.00 H new ATOM 0 HB3 GLU A 72 1.284 0.579 -7.634 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -0.506 -0.675 -6.950 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -1.343 0.441 -8.010 1.00 0.00 H new ATOM 1089 N LEU A 73 0.143 3.092 -8.039 1.00 0.00 N ATOM 1090 CA LEU A 73 -0.631 4.189 -7.468 1.00 0.00 C ATOM 1091 C LEU A 73 -1.191 5.087 -8.565 1.00 0.00 C ATOM 1092 O LEU A 73 -2.370 5.440 -8.550 1.00 0.00 O ATOM 1093 CB LEU A 73 0.238 5.011 -6.515 1.00 0.00 C ATOM 1094 CG LEU A 73 0.358 4.477 -5.087 1.00 0.00 C ATOM 1095 CD1 LEU A 73 1.496 5.168 -4.352 1.00 0.00 C ATOM 1096 CD2 LEU A 73 -0.954 4.661 -4.337 1.00 0.00 C ATOM 0 H LEU A 73 1.046 2.936 -7.591 1.00 0.00 H new ATOM 0 HA LEU A 73 -1.465 3.762 -6.911 1.00 0.00 H new ATOM 0 HB2 LEU A 73 1.239 5.084 -6.940 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -0.164 6.023 -6.471 1.00 0.00 H new ATOM 0 HG LEU A 73 0.579 3.411 -5.136 1.00 0.00 H new ATOM 0 HD11 LEU A 73 1.566 4.775 -3.338 1.00 0.00 H new ATOM 0 HD12 LEU A 73 2.433 4.985 -4.878 1.00 0.00 H new ATOM 0 HD13 LEU A 73 1.306 6.241 -4.313 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -0.850 4.275 -3.323 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -1.206 5.721 -4.298 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -1.747 4.119 -4.852 1.00 0.00 H new ATOM 1108 N GLN A 74 -0.339 5.453 -9.517 1.00 0.00 N ATOM 1109 CA GLN A 74 -0.751 6.311 -10.623 1.00 0.00 C ATOM 1110 C GLN A 74 -1.983 5.744 -11.322 1.00 0.00 C ATOM 1111 O GLN A 74 -2.846 6.491 -11.782 1.00 0.00 O ATOM 1112 CB GLN A 74 0.393 6.468 -11.627 1.00 0.00 C ATOM 1113 CG GLN A 74 1.660 7.047 -11.020 1.00 0.00 C ATOM 1114 CD GLN A 74 2.839 6.999 -11.972 1.00 0.00 C ATOM 1115 OE1 GLN A 74 2.758 7.481 -13.103 1.00 0.00 O ATOM 1116 NE2 GLN A 74 3.942 6.415 -11.520 1.00 0.00 N ATOM 0 H GLN A 74 0.640 5.169 -9.545 1.00 0.00 H new ATOM 0 HA GLN A 74 -1.005 7.290 -10.216 1.00 0.00 H new ATOM 0 HB2 GLN A 74 0.620 5.494 -12.061 1.00 0.00 H new ATOM 0 HB3 GLN A 74 0.064 7.112 -12.443 1.00 0.00 H new ATOM 0 HG2 GLN A 74 1.478 8.081 -10.726 1.00 0.00 H new ATOM 0 HG3 GLN A 74 1.908 6.496 -10.113 1.00 0.00 H new ATOM 0 HE21 GLN A 74 3.965 6.029 -10.576 1.00 0.00 H new ATOM 0 HE22 GLN A 74 4.767 6.352 -12.117 1.00 0.00 H new ATOM 1125 N ARG A 75 -2.057 4.418 -11.397 1.00 0.00 N ATOM 1126 CA ARG A 75 -3.182 3.752 -12.040 1.00 0.00 C ATOM 1127 C ARG A 75 -4.502 4.173 -11.401 1.00 0.00 C ATOM 1128 O ARG A 75 -5.527 4.266 -12.076 1.00 0.00 O ATOM 1129 CB ARG A 75 -3.022 2.233 -11.951 1.00 0.00 C ATOM 1130 CG ARG A 75 -1.677 1.732 -12.453 1.00 0.00 C ATOM 1131 CD ARG A 75 -1.710 1.454 -13.948 1.00 0.00 C ATOM 1132 NE ARG A 75 -2.674 0.411 -14.290 1.00 0.00 N ATOM 1133 CZ ARG A 75 -2.713 -0.193 -15.472 1.00 0.00 C ATOM 1134 NH1 ARG A 75 -1.847 0.140 -16.420 1.00 0.00 N ATOM 1135 NH2 ARG A 75 -3.620 -1.133 -15.708 1.00 0.00 N ATOM 0 H ARG A 75 -1.351 3.785 -11.020 1.00 0.00 H new ATOM 0 HA ARG A 75 -3.195 4.049 -13.089 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -3.152 1.923 -10.914 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -3.816 1.758 -12.528 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -0.907 2.473 -12.236 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -1.403 0.822 -11.918 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -1.963 2.370 -14.482 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -0.717 1.154 -14.283 1.00 0.00 H new ATOM 0 HE ARG A 75 -3.354 0.132 -13.583 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -1.149 0.862 -16.242 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -1.879 -0.326 -17.327 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -4.287 -1.392 -14.981 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -3.650 -1.597 -16.616 1.00 0.00 H new ATOM 1149 N TRP A 76 -4.467 4.427 -10.097 1.00 0.00 N ATOM 1150 CA TRP A 76 -5.661 4.838 -9.367 1.00 0.00 C ATOM 1151 C TRP A 76 -5.848 6.350 -9.437 1.00 0.00 C ATOM 1152 O TRP A 76 -6.749 6.842 -10.116 1.00 0.00 O ATOM 1153 CB TRP A 76 -5.570 4.389 -7.908 1.00 0.00 C ATOM 1154 CG TRP A 76 -5.280 2.927 -7.753 1.00 0.00 C ATOM 1155 CD1 TRP A 76 -4.138 2.367 -7.257 1.00 0.00 C ATOM 1156 CD2 TRP A 76 -6.144 1.839 -8.098 1.00 0.00 C ATOM 1157 NE1 TRP A 76 -4.241 0.997 -7.272 1.00 0.00 N ATOM 1158 CE2 TRP A 76 -5.462 0.648 -7.784 1.00 0.00 C ATOM 1159 CE3 TRP A 76 -7.430 1.756 -8.640 1.00 0.00 C ATOM 1160 CZ2 TRP A 76 -6.023 -0.608 -7.995 1.00 0.00 C ATOM 1161 CZ3 TRP A 76 -7.985 0.508 -8.850 1.00 0.00 C ATOM 1162 CH2 TRP A 76 -7.282 -0.661 -8.528 1.00 0.00 C ATOM 0 H TRP A 76 -3.626 4.356 -9.525 1.00 0.00 H new ATOM 0 HA TRP A 76 -6.524 4.363 -9.833 1.00 0.00 H new ATOM 0 HB2 TRP A 76 -4.790 4.962 -7.407 1.00 0.00 H new ATOM 0 HB3 TRP A 76 -6.509 4.621 -7.405 1.00 0.00 H new ATOM 0 HD1 TRP A 76 -3.280 2.920 -6.905 1.00 0.00 H new ATOM 0 HE1 TRP A 76 -3.524 0.345 -6.953 1.00 0.00 H new ATOM 0 HE3 TRP A 76 -7.980 2.651 -8.890 1.00 0.00 H new ATOM 0 HZ2 TRP A 76 -5.483 -1.510 -7.747 1.00 0.00 H new ATOM 0 HZ3 TRP A 76 -8.977 0.432 -9.269 1.00 0.00 H new ATOM 0 HH2 TRP A 76 -7.743 -1.622 -8.704 1.00 0.00 H new ATOM 1173 N ALA A 77 -4.992 7.080 -8.731 1.00 0.00 N ATOM 1174 CA ALA A 77 -5.062 8.536 -8.715 1.00 0.00 C ATOM 1175 C ALA A 77 -4.537 9.126 -10.020 1.00 0.00 C ATOM 1176 O ALA A 77 -5.303 9.638 -10.833 1.00 0.00 O ATOM 1177 CB ALA A 77 -4.281 9.089 -7.532 1.00 0.00 C ATOM 0 H ALA A 77 -4.242 6.687 -8.162 1.00 0.00 H new ATOM 0 HA ALA A 77 -6.108 8.823 -8.612 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -4.342 10.177 -7.533 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -4.703 8.702 -6.604 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -3.237 8.784 -7.610 1.00 0.00 H new ATOM 1183 N GLY A 78 -3.223 9.048 -10.212 1.00 0.00 N ATOM 1184 CA GLY A 78 -2.618 9.580 -11.419 1.00 0.00 C ATOM 1185 C GLY A 78 -1.228 10.134 -11.176 1.00 0.00 C ATOM 1186 O GLY A 78 -0.246 9.395 -11.098 1.00 0.00 O ATOM 0 H GLY A 78 -2.568 8.626 -9.554 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -2.566 8.794 -12.172 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -3.254 10.367 -11.824 1.00 0.00 H new ATOM 1190 N PRO A 79 -1.131 11.466 -11.052 1.00 0.00 N ATOM 1191 CA PRO A 79 0.144 12.149 -10.815 1.00 0.00 C ATOM 1192 C PRO A 79 0.694 11.881 -9.419 1.00 0.00 C ATOM 1193 O PRO A 79 0.170 12.388 -8.426 1.00 0.00 O ATOM 1194 CB PRO A 79 -0.211 13.629 -10.976 1.00 0.00 C ATOM 1195 CG PRO A 79 -1.665 13.706 -10.661 1.00 0.00 C ATOM 1196 CD PRO A 79 -2.260 12.409 -11.133 1.00 0.00 C ATOM 0 HA PRO A 79 0.923 11.807 -11.497 1.00 0.00 H new ATOM 0 HB2 PRO A 79 0.374 14.252 -10.300 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -0.006 13.977 -11.988 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -1.826 13.843 -9.592 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -2.129 14.554 -11.164 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -3.092 12.095 -10.502 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -2.644 12.490 -12.150 1.00 0.00 H new ATOM 1204 N LEU A 80 1.754 11.081 -9.349 1.00 0.00 N ATOM 1205 CA LEU A 80 2.376 10.747 -8.073 1.00 0.00 C ATOM 1206 C LEU A 80 3.823 11.228 -8.030 1.00 0.00 C ATOM 1207 O LEU A 80 4.564 11.131 -9.008 1.00 0.00 O ATOM 1208 CB LEU A 80 2.322 9.236 -7.837 1.00 0.00 C ATOM 1209 CG LEU A 80 1.085 8.715 -7.106 1.00 0.00 C ATOM 1210 CD1 LEU A 80 1.024 9.276 -5.694 1.00 0.00 C ATOM 1211 CD2 LEU A 80 -0.179 9.068 -7.877 1.00 0.00 C ATOM 0 H LEU A 80 2.199 10.653 -10.160 1.00 0.00 H new ATOM 0 HA LEU A 80 1.821 11.252 -7.283 1.00 0.00 H new ATOM 0 HB2 LEU A 80 2.386 8.735 -8.803 1.00 0.00 H new ATOM 0 HB3 LEU A 80 3.205 8.946 -7.268 1.00 0.00 H new ATOM 0 HG LEU A 80 1.156 7.629 -7.041 1.00 0.00 H new ATOM 0 HD11 LEU A 80 0.137 8.894 -5.189 1.00 0.00 H new ATOM 0 HD12 LEU A 80 1.914 8.972 -5.143 1.00 0.00 H new ATOM 0 HD13 LEU A 80 0.977 10.364 -5.737 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -1.050 8.689 -7.342 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -0.256 10.151 -7.974 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -0.138 8.617 -8.869 1.00 0.00 H new ATOM 1223 N PRO A 81 4.236 11.758 -6.869 1.00 0.00 N ATOM 1224 CA PRO A 81 5.597 12.263 -6.669 1.00 0.00 C ATOM 1225 C PRO A 81 6.633 11.143 -6.639 1.00 0.00 C ATOM 1226 O PRO A 81 6.311 9.981 -6.889 1.00 0.00 O ATOM 1227 CB PRO A 81 5.523 12.958 -5.307 1.00 0.00 C ATOM 1228 CG PRO A 81 4.400 12.282 -4.599 1.00 0.00 C ATOM 1229 CD PRO A 81 3.406 11.905 -5.662 1.00 0.00 C ATOM 0 HA PRO A 81 5.910 12.919 -7.481 1.00 0.00 H new ATOM 0 HB2 PRO A 81 6.458 12.853 -4.757 1.00 0.00 H new ATOM 0 HB3 PRO A 81 5.336 14.026 -5.417 1.00 0.00 H new ATOM 0 HG2 PRO A 81 4.751 11.400 -4.063 1.00 0.00 H new ATOM 0 HG3 PRO A 81 3.949 12.945 -3.861 1.00 0.00 H new ATOM 0 HD2 PRO A 81 2.887 10.979 -5.416 1.00 0.00 H new ATOM 0 HD3 PRO A 81 2.644 12.673 -5.790 1.00 0.00 H new ATOM 1237 N ALA A 82 7.875 11.499 -6.331 1.00 0.00 N ATOM 1238 CA ALA A 82 8.955 10.523 -6.265 1.00 0.00 C ATOM 1239 C ALA A 82 9.805 10.727 -5.016 1.00 0.00 C ATOM 1240 O ALA A 82 9.992 9.804 -4.222 1.00 0.00 O ATOM 1241 CB ALA A 82 9.821 10.610 -7.513 1.00 0.00 C ATOM 0 H ALA A 82 8.158 12.457 -6.123 1.00 0.00 H new ATOM 0 HA ALA A 82 8.510 9.529 -6.212 1.00 0.00 H new ATOM 0 HB1 ALA A 82 10.624 9.876 -7.451 1.00 0.00 H new ATOM 0 HB2 ALA A 82 9.211 10.407 -8.394 1.00 0.00 H new ATOM 0 HB3 ALA A 82 10.249 11.610 -7.590 1.00 0.00 H new ATOM 1247 N THR A 83 10.317 11.942 -4.845 1.00 0.00 N ATOM 1248 CA THR A 83 11.148 12.266 -3.693 1.00 0.00 C ATOM 1249 C THR A 83 10.353 12.167 -2.396 1.00 0.00 C ATOM 1250 O THR A 83 10.734 11.441 -1.476 1.00 0.00 O ATOM 1251 CB THR A 83 11.743 13.682 -3.809 1.00 0.00 C ATOM 1252 OG1 THR A 83 10.714 14.618 -4.149 1.00 0.00 O ATOM 1253 CG2 THR A 83 12.840 13.723 -4.862 1.00 0.00 C ATOM 0 H THR A 83 10.170 12.718 -5.491 1.00 0.00 H new ATOM 0 HA THR A 83 11.960 11.539 -3.675 1.00 0.00 H new ATOM 0 HB THR A 83 12.176 13.951 -2.845 1.00 0.00 H new ATOM 0 HG1 THR A 83 11.099 15.516 -4.219 1.00 0.00 H new ATOM 0 HG21 THR A 83 13.245 14.733 -4.926 1.00 0.00 H new ATOM 0 HG22 THR A 83 13.635 13.030 -4.587 1.00 0.00 H new ATOM 0 HG23 THR A 83 12.427 13.436 -5.829 1.00 0.00 H new ATOM 1261 N HIS A 84 9.245 12.898 -2.329 1.00 0.00 N ATOM 1262 CA HIS A 84 8.395 12.890 -1.144 1.00 0.00 C ATOM 1263 C HIS A 84 8.284 11.484 -0.564 1.00 0.00 C ATOM 1264 O HIS A 84 8.334 11.297 0.653 1.00 0.00 O ATOM 1265 CB HIS A 84 7.003 13.425 -1.486 1.00 0.00 C ATOM 1266 CG HIS A 84 6.898 14.917 -1.403 1.00 0.00 C ATOM 1267 ND1 HIS A 84 6.559 15.584 -0.244 1.00 0.00 N ATOM 1268 CD2 HIS A 84 7.089 15.871 -2.343 1.00 0.00 C ATOM 1269 CE1 HIS A 84 6.545 16.884 -0.475 1.00 0.00 C ATOM 1270 NE2 HIS A 84 6.864 17.086 -1.742 1.00 0.00 N ATOM 0 H HIS A 84 8.915 13.503 -3.081 1.00 0.00 H new ATOM 0 HA HIS A 84 8.851 13.537 -0.395 1.00 0.00 H new ATOM 0 HB2 HIS A 84 6.738 13.106 -2.494 1.00 0.00 H new ATOM 0 HB3 HIS A 84 6.275 12.979 -0.808 1.00 0.00 H new ATOM 0 HD2 HIS A 84 7.367 15.708 -3.374 1.00 0.00 H new ATOM 0 HE1 HIS A 84 6.312 17.652 0.248 1.00 0.00 H new ATOM 0 HE2 HIS A 84 6.932 17.995 -2.199 1.00 0.00 H new ATOM 1279 N LEU A 85 8.131 10.497 -1.441 1.00 0.00 N ATOM 1280 CA LEU A 85 8.012 9.108 -1.015 1.00 0.00 C ATOM 1281 C LEU A 85 9.174 8.714 -0.108 1.00 0.00 C ATOM 1282 O LEU A 85 10.339 8.907 -0.457 1.00 0.00 O ATOM 1283 CB LEU A 85 7.965 8.183 -2.234 1.00 0.00 C ATOM 1284 CG LEU A 85 8.039 6.683 -1.941 1.00 0.00 C ATOM 1285 CD1 LEU A 85 6.954 6.278 -0.957 1.00 0.00 C ATOM 1286 CD2 LEU A 85 7.919 5.884 -3.230 1.00 0.00 C ATOM 0 H LEU A 85 8.087 10.634 -2.451 1.00 0.00 H new ATOM 0 HA LEU A 85 7.085 9.005 -0.451 1.00 0.00 H new ATOM 0 HB2 LEU A 85 7.043 8.381 -2.780 1.00 0.00 H new ATOM 0 HB3 LEU A 85 8.790 8.445 -2.896 1.00 0.00 H new ATOM 0 HG LEU A 85 9.007 6.466 -1.490 1.00 0.00 H new ATOM 0 HD11 LEU A 85 7.022 5.208 -0.760 1.00 0.00 H new ATOM 0 HD12 LEU A 85 7.085 6.827 -0.025 1.00 0.00 H new ATOM 0 HD13 LEU A 85 5.976 6.508 -1.379 1.00 0.00 H new ATOM 0 HD21 LEU A 85 7.974 4.819 -3.004 1.00 0.00 H new ATOM 0 HD22 LEU A 85 6.965 6.105 -3.708 1.00 0.00 H new ATOM 0 HD23 LEU A 85 8.733 6.154 -3.903 1.00 0.00 H new ATOM 1298 N ARG A 86 8.848 8.160 1.055 1.00 0.00 N ATOM 1299 CA ARG A 86 9.864 7.738 2.011 1.00 0.00 C ATOM 1300 C ARG A 86 9.462 6.433 2.691 1.00 0.00 C ATOM 1301 O ARG A 86 8.281 6.091 2.753 1.00 0.00 O ATOM 1302 CB ARG A 86 10.088 8.826 3.062 1.00 0.00 C ATOM 1303 CG ARG A 86 11.121 9.863 2.656 1.00 0.00 C ATOM 1304 CD ARG A 86 12.531 9.295 2.706 1.00 0.00 C ATOM 1305 NE ARG A 86 13.535 10.288 2.331 1.00 0.00 N ATOM 1306 CZ ARG A 86 14.807 9.991 2.090 1.00 0.00 C ATOM 1307 NH1 ARG A 86 15.228 8.737 2.181 1.00 0.00 N ATOM 1308 NH2 ARG A 86 15.661 10.950 1.755 1.00 0.00 N ATOM 0 H ARG A 86 7.888 7.993 1.358 1.00 0.00 H new ATOM 0 HA ARG A 86 10.793 7.572 1.466 1.00 0.00 H new ATOM 0 HB2 ARG A 86 9.141 9.328 3.260 1.00 0.00 H new ATOM 0 HB3 ARG A 86 10.403 8.358 3.995 1.00 0.00 H new ATOM 0 HG2 ARG A 86 10.906 10.217 1.648 1.00 0.00 H new ATOM 0 HG3 ARG A 86 11.052 10.726 3.318 1.00 0.00 H new ATOM 0 HD2 ARG A 86 12.740 8.931 3.712 1.00 0.00 H new ATOM 0 HD3 ARG A 86 12.601 8.438 2.036 1.00 0.00 H new ATOM 0 HE ARG A 86 13.243 11.262 2.250 1.00 0.00 H new ATOM 0 HH11 ARG A 86 14.574 7.997 2.437 1.00 0.00 H new ATOM 0 HH12 ARG A 86 16.205 8.512 1.995 1.00 0.00 H new ATOM 0 HH21 ARG A 86 15.341 11.916 1.683 1.00 0.00 H new ATOM 0 HH22 ARG A 86 16.638 10.721 1.570 1.00 0.00 H new ATOM 1322 N HIS A 87 10.453 5.707 3.200 1.00 0.00 N ATOM 1323 CA HIS A 87 10.203 4.439 3.876 1.00 0.00 C ATOM 1324 C HIS A 87 10.072 4.643 5.382 1.00 0.00 C ATOM 1325 O HIS A 87 10.946 5.234 6.018 1.00 0.00 O ATOM 1326 CB HIS A 87 11.329 3.448 3.581 1.00 0.00 C ATOM 1327 CG HIS A 87 11.338 2.260 4.493 1.00 0.00 C ATOM 1328 ND1 HIS A 87 12.183 2.151 5.578 1.00 0.00 N ATOM 1329 CD2 HIS A 87 10.596 1.128 4.479 1.00 0.00 C ATOM 1330 CE1 HIS A 87 11.961 1.002 6.190 1.00 0.00 C ATOM 1331 NE2 HIS A 87 11.004 0.362 5.544 1.00 0.00 N ATOM 0 H HIS A 87 11.436 5.975 3.157 1.00 0.00 H new ATOM 0 HA HIS A 87 9.264 4.034 3.498 1.00 0.00 H new ATOM 0 HB2 HIS A 87 11.238 3.104 2.551 1.00 0.00 H new ATOM 0 HB3 HIS A 87 12.286 3.964 3.661 1.00 0.00 H new ATOM 0 HD2 HIS A 87 9.827 0.874 3.764 1.00 0.00 H new ATOM 0 HE1 HIS A 87 12.475 0.646 7.070 1.00 0.00 H new ATOM 0 HE2 HIS A 87 10.629 -0.553 5.795 1.00 0.00 H new ATOM 1340 N LEU A 88 8.974 4.152 5.947 1.00 0.00 N ATOM 1341 CA LEU A 88 8.728 4.281 7.379 1.00 0.00 C ATOM 1342 C LEU A 88 8.404 2.925 8.000 1.00 0.00 C ATOM 1343 O LEU A 88 7.252 2.492 8.006 1.00 0.00 O ATOM 1344 CB LEU A 88 7.578 5.258 7.633 1.00 0.00 C ATOM 1345 CG LEU A 88 7.552 6.507 6.751 1.00 0.00 C ATOM 1346 CD1 LEU A 88 6.192 7.184 6.825 1.00 0.00 C ATOM 1347 CD2 LEU A 88 8.654 7.472 7.162 1.00 0.00 C ATOM 0 H LEU A 88 8.241 3.661 5.436 1.00 0.00 H new ATOM 0 HA LEU A 88 9.635 4.667 7.845 1.00 0.00 H new ATOM 0 HB2 LEU A 88 6.637 4.724 7.500 1.00 0.00 H new ATOM 0 HB3 LEU A 88 7.620 5.574 8.675 1.00 0.00 H new ATOM 0 HG LEU A 88 7.728 6.204 5.719 1.00 0.00 H new ATOM 0 HD11 LEU A 88 6.192 8.071 6.191 1.00 0.00 H new ATOM 0 HD12 LEU A 88 5.422 6.493 6.482 1.00 0.00 H new ATOM 0 HD13 LEU A 88 5.986 7.474 7.855 1.00 0.00 H new ATOM 0 HD21 LEU A 88 8.621 8.355 6.524 1.00 0.00 H new ATOM 0 HD22 LEU A 88 8.509 7.769 8.201 1.00 0.00 H new ATOM 0 HD23 LEU A 88 9.623 6.984 7.056 1.00 0.00 H new ATOM 1359 N GLY A 89 9.430 2.260 8.524 1.00 0.00 N ATOM 1360 CA GLY A 89 9.234 0.962 9.143 1.00 0.00 C ATOM 1361 C GLY A 89 8.683 -0.065 8.173 1.00 0.00 C ATOM 1362 O GLY A 89 8.681 0.155 6.962 1.00 0.00 O ATOM 0 H GLY A 89 10.393 2.597 8.531 1.00 0.00 H new ATOM 0 HA2 GLY A 89 10.183 0.607 9.543 1.00 0.00 H new ATOM 0 HA3 GLY A 89 8.551 1.064 9.986 1.00 0.00 H new ATOM 1366 N GLU A 90 8.217 -1.190 8.707 1.00 0.00 N ATOM 1367 CA GLU A 90 7.664 -2.255 7.879 1.00 0.00 C ATOM 1368 C GLU A 90 6.605 -3.044 8.643 1.00 0.00 C ATOM 1369 O GLU A 90 6.435 -2.870 9.849 1.00 0.00 O ATOM 1370 CB GLU A 90 8.776 -3.196 7.409 1.00 0.00 C ATOM 1371 CG GLU A 90 9.323 -4.089 8.509 1.00 0.00 C ATOM 1372 CD GLU A 90 9.847 -3.301 9.693 1.00 0.00 C ATOM 1373 OE1 GLU A 90 11.033 -2.907 9.666 1.00 0.00 O ATOM 1374 OE2 GLU A 90 9.074 -3.078 10.648 1.00 0.00 O ATOM 0 H GLU A 90 8.212 -1.387 9.708 1.00 0.00 H new ATOM 0 HA GLU A 90 7.194 -1.796 7.009 1.00 0.00 H new ATOM 0 HB2 GLU A 90 8.394 -3.821 6.602 1.00 0.00 H new ATOM 0 HB3 GLU A 90 9.591 -2.603 6.995 1.00 0.00 H new ATOM 0 HG2 GLU A 90 8.538 -4.766 8.846 1.00 0.00 H new ATOM 0 HG3 GLU A 90 10.125 -4.707 8.105 1.00 0.00 H new ATOM 1381 N VAL A 91 5.894 -3.912 7.931 1.00 0.00 N ATOM 1382 CA VAL A 91 4.851 -4.729 8.541 1.00 0.00 C ATOM 1383 C VAL A 91 4.854 -6.141 7.967 1.00 0.00 C ATOM 1384 O VAL A 91 4.412 -6.367 6.841 1.00 0.00 O ATOM 1385 CB VAL A 91 3.458 -4.106 8.334 1.00 0.00 C ATOM 1386 CG1 VAL A 91 2.373 -5.044 8.840 1.00 0.00 C ATOM 1387 CG2 VAL A 91 3.371 -2.754 9.027 1.00 0.00 C ATOM 0 H VAL A 91 6.021 -4.068 6.931 1.00 0.00 H new ATOM 0 HA VAL A 91 5.066 -4.773 9.609 1.00 0.00 H new ATOM 0 HB VAL A 91 3.303 -3.952 7.266 1.00 0.00 H new ATOM 0 HG11 VAL A 91 1.396 -4.587 8.685 1.00 0.00 H new ATOM 0 HG12 VAL A 91 2.423 -5.986 8.294 1.00 0.00 H new ATOM 0 HG13 VAL A 91 2.521 -5.232 9.903 1.00 0.00 H new ATOM 0 HG21 VAL A 91 2.380 -2.328 8.870 1.00 0.00 H new ATOM 0 HG22 VAL A 91 3.547 -2.881 10.095 1.00 0.00 H new ATOM 0 HG23 VAL A 91 4.124 -2.084 8.612 1.00 0.00 H new ATOM 1397 N VAL A 92 5.354 -7.092 8.751 1.00 0.00 N ATOM 1398 CA VAL A 92 5.413 -8.484 8.323 1.00 0.00 C ATOM 1399 C VAL A 92 4.521 -9.364 9.191 1.00 0.00 C ATOM 1400 O VAL A 92 4.871 -9.694 10.324 1.00 0.00 O ATOM 1401 CB VAL A 92 6.855 -9.026 8.372 1.00 0.00 C ATOM 1402 CG1 VAL A 92 6.867 -10.531 8.154 1.00 0.00 C ATOM 1403 CG2 VAL A 92 7.723 -8.322 7.341 1.00 0.00 C ATOM 0 H VAL A 92 5.724 -6.923 9.686 1.00 0.00 H new ATOM 0 HA VAL A 92 5.056 -8.514 7.293 1.00 0.00 H new ATOM 0 HB VAL A 92 7.268 -8.823 9.360 1.00 0.00 H new ATOM 0 HG11 VAL A 92 7.893 -10.896 8.192 1.00 0.00 H new ATOM 0 HG12 VAL A 92 6.280 -11.016 8.934 1.00 0.00 H new ATOM 0 HG13 VAL A 92 6.436 -10.761 7.180 1.00 0.00 H new ATOM 0 HG21 VAL A 92 8.738 -8.717 7.389 1.00 0.00 H new ATOM 0 HG22 VAL A 92 7.315 -8.492 6.345 1.00 0.00 H new ATOM 0 HG23 VAL A 92 7.740 -7.252 7.549 1.00 0.00 H new ATOM 1413 N HIS A 93 3.366 -9.742 8.651 1.00 0.00 N ATOM 1414 CA HIS A 93 2.423 -10.586 9.375 1.00 0.00 C ATOM 1415 C HIS A 93 2.538 -12.039 8.926 1.00 0.00 C ATOM 1416 O HIS A 93 2.673 -12.323 7.736 1.00 0.00 O ATOM 1417 CB HIS A 93 0.994 -10.086 9.165 1.00 0.00 C ATOM 1418 CG HIS A 93 -0.022 -10.812 9.992 1.00 0.00 C ATOM 1419 ND1 HIS A 93 -0.596 -10.273 11.124 1.00 0.00 N ATOM 1420 CD2 HIS A 93 -0.568 -12.042 9.845 1.00 0.00 C ATOM 1421 CE1 HIS A 93 -1.449 -11.141 11.638 1.00 0.00 C ATOM 1422 NE2 HIS A 93 -1.452 -12.222 10.880 1.00 0.00 N ATOM 0 H HIS A 93 3.061 -9.477 7.714 1.00 0.00 H new ATOM 0 HA HIS A 93 2.666 -10.533 10.436 1.00 0.00 H new ATOM 0 HB2 HIS A 93 0.951 -9.023 9.402 1.00 0.00 H new ATOM 0 HB3 HIS A 93 0.733 -10.188 8.112 1.00 0.00 H new ATOM 0 HD2 HIS A 93 -0.349 -12.750 9.060 1.00 0.00 H new ATOM 0 HE1 HIS A 93 -2.043 -10.992 12.527 1.00 0.00 H new ATOM 0 HE2 HIS A 93 -2.019 -13.055 11.038 1.00 0.00 H new ATOM 1431 N THR A 94 2.485 -12.957 9.887 1.00 0.00 N ATOM 1432 CA THR A 94 2.584 -14.380 9.591 1.00 0.00 C ATOM 1433 C THR A 94 1.241 -15.077 9.781 1.00 0.00 C ATOM 1434 O THR A 94 0.811 -15.321 10.908 1.00 0.00 O ATOM 1435 CB THR A 94 3.637 -15.067 10.481 1.00 0.00 C ATOM 1436 OG1 THR A 94 4.899 -14.406 10.346 1.00 0.00 O ATOM 1437 CG2 THR A 94 3.783 -16.535 10.111 1.00 0.00 C ATOM 0 H THR A 94 2.374 -12.739 10.877 1.00 0.00 H new ATOM 0 HA THR A 94 2.889 -14.465 8.548 1.00 0.00 H new ATOM 0 HB THR A 94 3.304 -15.002 11.517 1.00 0.00 H new ATOM 0 HG1 THR A 94 5.562 -14.848 10.916 1.00 0.00 H new ATOM 0 HG21 THR A 94 4.532 -16.999 10.753 1.00 0.00 H new ATOM 0 HG22 THR A 94 2.827 -17.041 10.245 1.00 0.00 H new ATOM 0 HG23 THR A 94 4.095 -16.619 9.070 1.00 0.00 H new ATOM 1445 N PHE A 95 0.584 -15.395 8.671 1.00 0.00 N ATOM 1446 CA PHE A 95 -0.712 -16.064 8.716 1.00 0.00 C ATOM 1447 C PHE A 95 -0.540 -17.576 8.820 1.00 0.00 C ATOM 1448 O PHE A 95 0.578 -18.078 8.942 1.00 0.00 O ATOM 1449 CB PHE A 95 -1.532 -15.718 7.471 1.00 0.00 C ATOM 1450 CG PHE A 95 -1.771 -14.245 7.301 1.00 0.00 C ATOM 1451 CD1 PHE A 95 -2.857 -13.632 7.904 1.00 0.00 C ATOM 1452 CD2 PHE A 95 -0.909 -13.473 6.538 1.00 0.00 C ATOM 1453 CE1 PHE A 95 -3.079 -12.277 7.748 1.00 0.00 C ATOM 1454 CE2 PHE A 95 -1.126 -12.118 6.378 1.00 0.00 C ATOM 1455 CZ PHE A 95 -2.212 -11.519 6.986 1.00 0.00 C ATOM 0 H PHE A 95 0.927 -15.201 7.730 1.00 0.00 H new ATOM 0 HA PHE A 95 -1.243 -15.714 9.601 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -1.017 -16.099 6.589 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -2.493 -16.230 7.525 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -3.538 -14.219 8.503 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -0.057 -13.936 6.063 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -3.930 -11.811 8.222 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -0.448 -11.528 5.779 1.00 0.00 H new ATOM 0 HZ PHE A 95 -2.383 -10.459 6.866 1.00 0.00 H new ATOM 1465 N SER A 96 -1.655 -18.298 8.773 1.00 0.00 N ATOM 1466 CA SER A 96 -1.629 -19.753 8.867 1.00 0.00 C ATOM 1467 C SER A 96 -0.594 -20.340 7.912 1.00 0.00 C ATOM 1468 O SER A 96 -0.773 -20.316 6.694 1.00 0.00 O ATOM 1469 CB SER A 96 -3.011 -20.330 8.558 1.00 0.00 C ATOM 1470 OG SER A 96 -3.800 -20.420 9.732 1.00 0.00 O ATOM 0 H SER A 96 -2.588 -17.899 8.670 1.00 0.00 H new ATOM 0 HA SER A 96 -1.351 -20.022 9.886 1.00 0.00 H new ATOM 0 HB2 SER A 96 -3.515 -19.701 7.824 1.00 0.00 H new ATOM 0 HB3 SER A 96 -2.904 -21.318 8.111 1.00 0.00 H new ATOM 0 HG SER A 96 -4.679 -20.790 9.508 1.00 0.00 H new ATOM 1476 N HIS A 97 0.488 -20.870 8.474 1.00 0.00 N ATOM 1477 CA HIS A 97 1.552 -21.464 7.672 1.00 0.00 C ATOM 1478 C HIS A 97 1.926 -20.556 6.504 1.00 0.00 C ATOM 1479 O HIS A 97 2.316 -21.031 5.438 1.00 0.00 O ATOM 1480 CB HIS A 97 1.120 -22.835 7.151 1.00 0.00 C ATOM 1481 CG HIS A 97 -0.083 -22.785 6.260 1.00 0.00 C ATOM 1482 ND1 HIS A 97 -1.358 -23.072 6.701 1.00 0.00 N ATOM 1483 CD2 HIS A 97 -0.201 -22.477 4.948 1.00 0.00 C ATOM 1484 CE1 HIS A 97 -2.208 -22.944 5.697 1.00 0.00 C ATOM 1485 NE2 HIS A 97 -1.531 -22.584 4.622 1.00 0.00 N ATOM 0 H HIS A 97 0.651 -20.900 9.480 1.00 0.00 H new ATOM 0 HA HIS A 97 2.429 -21.585 8.308 1.00 0.00 H new ATOM 0 HB2 HIS A 97 1.949 -23.284 6.604 1.00 0.00 H new ATOM 0 HB3 HIS A 97 0.907 -23.486 7.999 1.00 0.00 H new ATOM 0 HD2 HIS A 97 0.601 -22.199 4.281 1.00 0.00 H new ATOM 0 HE1 HIS A 97 -3.275 -23.106 5.747 1.00 0.00 H new ATOM 0 HE2 HIS A 97 -1.931 -22.413 3.699 1.00 0.00 H new ATOM 1494 N ILE A 98 1.802 -19.250 6.714 1.00 0.00 N ATOM 1495 CA ILE A 98 2.126 -18.277 5.679 1.00 0.00 C ATOM 1496 C ILE A 98 2.814 -17.051 6.273 1.00 0.00 C ATOM 1497 O ILE A 98 2.582 -16.694 7.427 1.00 0.00 O ATOM 1498 CB ILE A 98 0.868 -17.826 4.915 1.00 0.00 C ATOM 1499 CG1 ILE A 98 0.237 -19.012 4.182 1.00 0.00 C ATOM 1500 CG2 ILE A 98 1.212 -16.714 3.936 1.00 0.00 C ATOM 1501 CD1 ILE A 98 -1.244 -18.846 3.924 1.00 0.00 C ATOM 0 H ILE A 98 1.480 -18.842 7.591 1.00 0.00 H new ATOM 0 HA ILE A 98 2.805 -18.771 4.984 1.00 0.00 H new ATOM 0 HB ILE A 98 0.145 -17.440 5.633 1.00 0.00 H new ATOM 0 HG12 ILE A 98 0.749 -19.155 3.231 1.00 0.00 H new ATOM 0 HG13 ILE A 98 0.396 -19.917 4.768 1.00 0.00 H new ATOM 0 HG21 ILE A 98 0.312 -16.406 3.404 1.00 0.00 H new ATOM 0 HG22 ILE A 98 1.620 -15.863 4.481 1.00 0.00 H new ATOM 0 HG23 ILE A 98 1.951 -17.075 3.221 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -1.623 -19.724 3.401 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -1.768 -18.734 4.873 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -1.410 -17.960 3.311 1.00 0.00 H new ATOM 1513 N LYS A 99 3.659 -16.409 5.473 1.00 0.00 N ATOM 1514 CA LYS A 99 4.378 -15.222 5.917 1.00 0.00 C ATOM 1515 C LYS A 99 4.306 -14.118 4.867 1.00 0.00 C ATOM 1516 O LYS A 99 4.768 -14.289 3.738 1.00 0.00 O ATOM 1517 CB LYS A 99 5.841 -15.565 6.210 1.00 0.00 C ATOM 1518 CG LYS A 99 6.652 -14.387 6.721 1.00 0.00 C ATOM 1519 CD LYS A 99 7.991 -14.834 7.282 1.00 0.00 C ATOM 1520 CE LYS A 99 8.860 -13.645 7.665 1.00 0.00 C ATOM 1521 NZ LYS A 99 10.091 -14.068 8.390 1.00 0.00 N ATOM 0 H LYS A 99 3.862 -16.691 4.514 1.00 0.00 H new ATOM 0 HA LYS A 99 3.905 -14.863 6.831 1.00 0.00 H new ATOM 0 HB2 LYS A 99 5.877 -16.367 6.947 1.00 0.00 H new ATOM 0 HB3 LYS A 99 6.305 -15.947 5.301 1.00 0.00 H new ATOM 0 HG2 LYS A 99 6.815 -13.677 5.910 1.00 0.00 H new ATOM 0 HG3 LYS A 99 6.089 -13.864 7.494 1.00 0.00 H new ATOM 0 HD2 LYS A 99 7.828 -15.464 8.157 1.00 0.00 H new ATOM 0 HD3 LYS A 99 8.511 -15.443 6.543 1.00 0.00 H new ATOM 0 HE2 LYS A 99 9.139 -13.095 6.766 1.00 0.00 H new ATOM 0 HE3 LYS A 99 8.286 -12.962 8.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 10.656 -13.229 8.633 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 9.826 -14.571 9.261 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 10.652 -14.699 7.783 1.00 0.00 H new ATOM 1535 N LEU A 100 3.724 -12.984 5.245 1.00 0.00 N ATOM 1536 CA LEU A 100 3.592 -11.851 4.336 1.00 0.00 C ATOM 1537 C LEU A 100 4.544 -10.725 4.727 1.00 0.00 C ATOM 1538 O LEU A 100 4.768 -10.471 5.911 1.00 0.00 O ATOM 1539 CB LEU A 100 2.151 -11.339 4.333 1.00 0.00 C ATOM 1540 CG LEU A 100 1.196 -12.025 3.355 1.00 0.00 C ATOM 1541 CD1 LEU A 100 1.413 -11.503 1.944 1.00 0.00 C ATOM 1542 CD2 LEU A 100 1.379 -13.535 3.401 1.00 0.00 C ATOM 0 H LEU A 100 3.336 -12.825 6.175 1.00 0.00 H new ATOM 0 HA LEU A 100 3.852 -12.189 3.333 1.00 0.00 H new ATOM 0 HB2 LEU A 100 1.747 -11.446 5.340 1.00 0.00 H new ATOM 0 HB3 LEU A 100 2.166 -10.273 4.107 1.00 0.00 H new ATOM 0 HG LEU A 100 0.173 -11.794 3.653 1.00 0.00 H new ATOM 0 HD11 LEU A 100 0.725 -12.002 1.262 1.00 0.00 H new ATOM 0 HD12 LEU A 100 1.231 -10.429 1.921 1.00 0.00 H new ATOM 0 HD13 LEU A 100 2.439 -11.703 1.636 1.00 0.00 H new ATOM 0 HD21 LEU A 100 0.691 -14.006 2.699 1.00 0.00 H new ATOM 0 HD22 LEU A 100 2.404 -13.786 3.129 1.00 0.00 H new ATOM 0 HD23 LEU A 100 1.173 -13.896 4.409 1.00 0.00 H new ATOM 1554 N THR A 101 5.101 -10.051 3.726 1.00 0.00 N ATOM 1555 CA THR A 101 6.026 -8.952 3.965 1.00 0.00 C ATOM 1556 C THR A 101 5.558 -7.678 3.272 1.00 0.00 C ATOM 1557 O THR A 101 5.689 -7.537 2.056 1.00 0.00 O ATOM 1558 CB THR A 101 7.446 -9.297 3.476 1.00 0.00 C ATOM 1559 OG1 THR A 101 7.903 -10.498 4.106 1.00 0.00 O ATOM 1560 CG2 THR A 101 8.412 -8.162 3.776 1.00 0.00 C ATOM 0 H THR A 101 4.927 -10.248 2.741 1.00 0.00 H new ATOM 0 HA THR A 101 6.050 -8.788 5.042 1.00 0.00 H new ATOM 0 HB THR A 101 7.408 -9.445 2.397 1.00 0.00 H new ATOM 0 HG1 THR A 101 8.805 -10.711 3.788 1.00 0.00 H new ATOM 0 HG21 THR A 101 9.408 -8.429 3.422 1.00 0.00 H new ATOM 0 HG22 THR A 101 8.077 -7.256 3.270 1.00 0.00 H new ATOM 0 HG23 THR A 101 8.444 -7.986 4.851 1.00 0.00 H new ATOM 1568 N TYR A 102 5.011 -6.752 4.052 1.00 0.00 N ATOM 1569 CA TYR A 102 4.521 -5.490 3.512 1.00 0.00 C ATOM 1570 C TYR A 102 5.459 -4.342 3.876 1.00 0.00 C ATOM 1571 O TYR A 102 5.844 -4.183 5.033 1.00 0.00 O ATOM 1572 CB TYR A 102 3.114 -5.199 4.037 1.00 0.00 C ATOM 1573 CG TYR A 102 2.037 -6.029 3.375 1.00 0.00 C ATOM 1574 CD1 TYR A 102 1.718 -7.295 3.849 1.00 0.00 C ATOM 1575 CD2 TYR A 102 1.339 -5.546 2.276 1.00 0.00 C ATOM 1576 CE1 TYR A 102 0.736 -8.057 3.247 1.00 0.00 C ATOM 1577 CE2 TYR A 102 0.353 -6.300 1.668 1.00 0.00 C ATOM 1578 CZ TYR A 102 0.056 -7.556 2.157 1.00 0.00 C ATOM 1579 OH TYR A 102 -0.924 -8.311 1.556 1.00 0.00 O ATOM 0 H TYR A 102 4.896 -6.852 5.061 1.00 0.00 H new ATOM 0 HA TYR A 102 4.486 -5.577 2.426 1.00 0.00 H new ATOM 0 HB2 TYR A 102 3.092 -5.380 5.112 1.00 0.00 H new ATOM 0 HB3 TYR A 102 2.891 -4.143 3.887 1.00 0.00 H new ATOM 0 HD1 TYR A 102 2.247 -7.690 4.703 1.00 0.00 H new ATOM 0 HD2 TYR A 102 1.571 -4.564 1.890 1.00 0.00 H new ATOM 0 HE1 TYR A 102 0.502 -9.040 3.628 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -0.182 -5.909 0.815 1.00 0.00 H new ATOM 0 HH TYR A 102 -1.306 -7.813 0.804 1.00 0.00 H new ATOM 1589 N GLN A 103 5.821 -3.545 2.875 1.00 0.00 N ATOM 1590 CA GLN A 103 6.714 -2.411 3.089 1.00 0.00 C ATOM 1591 C GLN A 103 5.920 -1.125 3.295 1.00 0.00 C ATOM 1592 O GLN A 103 5.258 -0.638 2.378 1.00 0.00 O ATOM 1593 CB GLN A 103 7.664 -2.253 1.901 1.00 0.00 C ATOM 1594 CG GLN A 103 8.592 -3.441 1.702 1.00 0.00 C ATOM 1595 CD GLN A 103 9.670 -3.523 2.765 1.00 0.00 C ATOM 1596 OE1 GLN A 103 10.785 -3.037 2.574 1.00 0.00 O ATOM 1597 NE2 GLN A 103 9.341 -4.140 3.894 1.00 0.00 N ATOM 0 H GLN A 103 5.511 -3.663 1.910 1.00 0.00 H new ATOM 0 HA GLN A 103 7.298 -2.604 3.989 1.00 0.00 H new ATOM 0 HB2 GLN A 103 7.077 -2.105 0.994 1.00 0.00 H new ATOM 0 HB3 GLN A 103 8.264 -1.354 2.043 1.00 0.00 H new ATOM 0 HG2 GLN A 103 8.007 -4.360 1.712 1.00 0.00 H new ATOM 0 HG3 GLN A 103 9.060 -3.371 0.720 1.00 0.00 H new ATOM 0 HE21 GLN A 103 8.405 -4.528 4.009 1.00 0.00 H new ATOM 0 HE22 GLN A 103 10.025 -4.226 4.646 1.00 0.00 H new ATOM 1606 N VAL A 104 5.992 -0.578 4.504 1.00 0.00 N ATOM 1607 CA VAL A 104 5.281 0.652 4.830 1.00 0.00 C ATOM 1608 C VAL A 104 5.913 1.853 4.135 1.00 0.00 C ATOM 1609 O VAL A 104 7.104 2.122 4.298 1.00 0.00 O ATOM 1610 CB VAL A 104 5.262 0.903 6.350 1.00 0.00 C ATOM 1611 CG1 VAL A 104 4.532 2.199 6.668 1.00 0.00 C ATOM 1612 CG2 VAL A 104 4.622 -0.270 7.076 1.00 0.00 C ATOM 0 H VAL A 104 6.536 -0.967 5.274 1.00 0.00 H new ATOM 0 HA VAL A 104 4.257 0.529 4.477 1.00 0.00 H new ATOM 0 HB VAL A 104 6.291 0.998 6.697 1.00 0.00 H new ATOM 0 HG11 VAL A 104 4.529 2.360 7.746 1.00 0.00 H new ATOM 0 HG12 VAL A 104 5.038 3.031 6.179 1.00 0.00 H new ATOM 0 HG13 VAL A 104 3.505 2.136 6.307 1.00 0.00 H new ATOM 0 HG21 VAL A 104 4.617 -0.075 8.148 1.00 0.00 H new ATOM 0 HG22 VAL A 104 3.598 -0.399 6.726 1.00 0.00 H new ATOM 0 HG23 VAL A 104 5.192 -1.177 6.875 1.00 0.00 H new ATOM 1622 N TYR A 105 5.110 2.573 3.361 1.00 0.00 N ATOM 1623 CA TYR A 105 5.590 3.744 2.640 1.00 0.00 C ATOM 1624 C TYR A 105 4.598 4.898 2.749 1.00 0.00 C ATOM 1625 O TYR A 105 3.395 4.716 2.565 1.00 0.00 O ATOM 1626 CB TYR A 105 5.829 3.401 1.168 1.00 0.00 C ATOM 1627 CG TYR A 105 7.152 2.715 0.913 1.00 0.00 C ATOM 1628 CD1 TYR A 105 8.345 3.428 0.945 1.00 0.00 C ATOM 1629 CD2 TYR A 105 7.210 1.353 0.642 1.00 0.00 C ATOM 1630 CE1 TYR A 105 9.555 2.805 0.711 1.00 0.00 C ATOM 1631 CE2 TYR A 105 8.417 0.721 0.409 1.00 0.00 C ATOM 1632 CZ TYR A 105 9.586 1.452 0.445 1.00 0.00 C ATOM 1633 OH TYR A 105 10.791 0.828 0.213 1.00 0.00 O ATOM 0 H TYR A 105 4.122 2.365 3.217 1.00 0.00 H new ATOM 0 HA TYR A 105 6.532 4.055 3.092 1.00 0.00 H new ATOM 0 HB2 TYR A 105 5.022 2.757 0.818 1.00 0.00 H new ATOM 0 HB3 TYR A 105 5.785 4.317 0.578 1.00 0.00 H new ATOM 0 HD1 TYR A 105 8.325 4.487 1.156 1.00 0.00 H new ATOM 0 HD2 TYR A 105 6.296 0.778 0.613 1.00 0.00 H new ATOM 0 HE1 TYR A 105 10.472 3.374 0.736 1.00 0.00 H new ATOM 0 HE2 TYR A 105 8.445 -0.338 0.200 1.00 0.00 H new ATOM 0 HH TYR A 105 10.638 -0.125 0.043 1.00 0.00 H new ATOM 1643 N GLY A 106 5.112 6.086 3.051 1.00 0.00 N ATOM 1644 CA GLY A 106 4.258 7.252 3.180 1.00 0.00 C ATOM 1645 C GLY A 106 4.444 8.236 2.042 1.00 0.00 C ATOM 1646 O GLY A 106 5.565 8.464 1.586 1.00 0.00 O ATOM 0 H GLY A 106 6.104 6.262 3.209 1.00 0.00 H new ATOM 0 HA2 GLY A 106 3.216 6.933 3.214 1.00 0.00 H new ATOM 0 HA3 GLY A 106 4.470 7.751 4.126 1.00 0.00 H new ATOM 1650 N LEU A 107 3.343 8.819 1.581 1.00 0.00 N ATOM 1651 CA LEU A 107 3.389 9.783 0.487 1.00 0.00 C ATOM 1652 C LEU A 107 2.164 10.691 0.510 1.00 0.00 C ATOM 1653 O LEU A 107 1.043 10.245 0.268 1.00 0.00 O ATOM 1654 CB LEU A 107 3.474 9.056 -0.856 1.00 0.00 C ATOM 1655 CG LEU A 107 3.821 9.922 -2.068 1.00 0.00 C ATOM 1656 CD1 LEU A 107 2.739 10.964 -2.306 1.00 0.00 C ATOM 1657 CD2 LEU A 107 5.175 10.591 -1.876 1.00 0.00 C ATOM 0 H LEU A 107 2.408 8.641 1.947 1.00 0.00 H new ATOM 0 HA LEU A 107 4.278 10.400 0.616 1.00 0.00 H new ATOM 0 HB2 LEU A 107 4.221 8.267 -0.773 1.00 0.00 H new ATOM 0 HB3 LEU A 107 2.517 8.570 -1.044 1.00 0.00 H new ATOM 0 HG LEU A 107 3.877 9.279 -2.946 1.00 0.00 H new ATOM 0 HD11 LEU A 107 3.003 11.571 -3.172 1.00 0.00 H new ATOM 0 HD12 LEU A 107 1.787 10.465 -2.489 1.00 0.00 H new ATOM 0 HD13 LEU A 107 2.651 11.604 -1.428 1.00 0.00 H new ATOM 0 HD21 LEU A 107 5.405 11.203 -2.748 1.00 0.00 H new ATOM 0 HD22 LEU A 107 5.147 11.222 -0.987 1.00 0.00 H new ATOM 0 HD23 LEU A 107 5.944 9.828 -1.755 1.00 0.00 H new ATOM 1669 N ALA A 108 2.386 11.970 0.800 1.00 0.00 N ATOM 1670 CA ALA A 108 1.301 12.941 0.850 1.00 0.00 C ATOM 1671 C ALA A 108 1.660 14.204 0.074 1.00 0.00 C ATOM 1672 O ALA A 108 2.797 14.675 0.126 1.00 0.00 O ATOM 1673 CB ALA A 108 0.966 13.284 2.294 1.00 0.00 C ATOM 0 H ALA A 108 3.308 12.357 1.004 1.00 0.00 H new ATOM 0 HA ALA A 108 0.424 12.494 0.382 1.00 0.00 H new ATOM 0 HB1 ALA A 108 0.154 14.011 2.316 1.00 0.00 H new ATOM 0 HB2 ALA A 108 0.659 12.380 2.821 1.00 0.00 H new ATOM 0 HB3 ALA A 108 1.845 13.707 2.781 1.00 0.00 H new ATOM 1679 N LEU A 109 0.684 14.747 -0.646 1.00 0.00 N ATOM 1680 CA LEU A 109 0.897 15.955 -1.434 1.00 0.00 C ATOM 1681 C LEU A 109 0.820 17.200 -0.555 1.00 0.00 C ATOM 1682 O LEU A 109 -0.266 17.643 -0.185 1.00 0.00 O ATOM 1683 CB LEU A 109 -0.139 16.046 -2.556 1.00 0.00 C ATOM 1684 CG LEU A 109 -0.072 14.950 -3.622 1.00 0.00 C ATOM 1685 CD1 LEU A 109 -1.327 14.963 -4.479 1.00 0.00 C ATOM 1686 CD2 LEU A 109 1.169 15.123 -4.486 1.00 0.00 C ATOM 0 H LEU A 109 -0.262 14.370 -0.700 1.00 0.00 H new ATOM 0 HA LEU A 109 1.894 15.902 -1.871 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -1.133 16.029 -2.108 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -0.028 17.012 -3.049 1.00 0.00 H new ATOM 0 HG LEU A 109 -0.010 13.984 -3.121 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -1.262 14.177 -5.232 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -2.200 14.791 -3.849 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -1.421 15.931 -4.972 1.00 0.00 H new ATOM 0 HD21 LEU A 109 1.201 14.335 -5.239 1.00 0.00 H new ATOM 0 HD22 LEU A 109 1.137 16.095 -4.979 1.00 0.00 H new ATOM 0 HD23 LEU A 109 2.059 15.063 -3.860 1.00 0.00 H new ATOM 1698 N GLU A 110 1.981 17.759 -0.227 1.00 0.00 N ATOM 1699 CA GLU A 110 2.044 18.953 0.607 1.00 0.00 C ATOM 1700 C GLU A 110 1.417 20.148 -0.105 1.00 0.00 C ATOM 1701 O GLU A 110 0.526 20.807 0.431 1.00 0.00 O ATOM 1702 CB GLU A 110 3.496 19.269 0.975 1.00 0.00 C ATOM 1703 CG GLU A 110 3.631 20.220 2.153 1.00 0.00 C ATOM 1704 CD GLU A 110 4.967 20.087 2.858 1.00 0.00 C ATOM 1705 OE1 GLU A 110 6.008 20.136 2.171 1.00 0.00 O ATOM 1706 OE2 GLU A 110 4.971 19.933 4.098 1.00 0.00 O ATOM 0 H GLU A 110 2.889 17.404 -0.526 1.00 0.00 H new ATOM 0 HA GLU A 110 1.479 18.758 1.519 1.00 0.00 H new ATOM 0 HB2 GLU A 110 4.014 18.339 1.208 1.00 0.00 H new ATOM 0 HB3 GLU A 110 3.996 19.703 0.109 1.00 0.00 H new ATOM 0 HG2 GLU A 110 3.509 21.245 1.804 1.00 0.00 H new ATOM 0 HG3 GLU A 110 2.828 20.028 2.865 1.00 0.00 H new ATOM 1751 N PRO A 114 -3.657 18.473 -7.566 1.00 0.00 N ATOM 1752 CA PRO A 114 -4.629 17.458 -7.147 1.00 0.00 C ATOM 1753 C PRO A 114 -4.750 16.322 -8.158 1.00 0.00 C ATOM 1754 O PRO A 114 -4.184 16.384 -9.248 1.00 0.00 O ATOM 1755 CB PRO A 114 -5.943 18.239 -7.060 1.00 0.00 C ATOM 1756 CG PRO A 114 -5.765 19.386 -7.995 1.00 0.00 C ATOM 1757 CD PRO A 114 -4.305 19.743 -7.939 1.00 0.00 C ATOM 0 HA PRO A 114 -4.341 16.978 -6.212 1.00 0.00 H new ATOM 0 HB2 PRO A 114 -6.792 17.620 -7.350 1.00 0.00 H new ATOM 0 HB3 PRO A 114 -6.133 18.583 -6.043 1.00 0.00 H new ATOM 0 HG2 PRO A 114 -6.062 19.114 -9.008 1.00 0.00 H new ATOM 0 HG3 PRO A 114 -6.385 20.232 -7.698 1.00 0.00 H new ATOM 0 HD2 PRO A 114 -3.944 20.111 -8.899 1.00 0.00 H new ATOM 0 HD3 PRO A 114 -4.110 20.524 -7.204 1.00 0.00 H new ATOM 1765 N VAL A 115 -5.494 15.284 -7.787 1.00 0.00 N ATOM 1766 CA VAL A 115 -5.691 14.134 -8.661 1.00 0.00 C ATOM 1767 C VAL A 115 -7.033 14.215 -9.382 1.00 0.00 C ATOM 1768 O VAL A 115 -7.117 13.986 -10.588 1.00 0.00 O ATOM 1769 CB VAL A 115 -5.623 12.812 -7.874 1.00 0.00 C ATOM 1770 CG1 VAL A 115 -6.690 12.780 -6.791 1.00 0.00 C ATOM 1771 CG2 VAL A 115 -5.770 11.624 -8.814 1.00 0.00 C ATOM 0 H VAL A 115 -5.970 15.216 -6.887 1.00 0.00 H new ATOM 0 HA VAL A 115 -4.885 14.153 -9.395 1.00 0.00 H new ATOM 0 HB VAL A 115 -4.648 12.746 -7.392 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -6.627 11.838 -6.245 1.00 0.00 H new ATOM 0 HG12 VAL A 115 -6.534 13.610 -6.102 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -7.675 12.869 -7.248 1.00 0.00 H new ATOM 0 HG21 VAL A 115 -5.720 10.698 -8.241 1.00 0.00 H new ATOM 0 HG22 VAL A 115 -6.730 11.682 -9.326 1.00 0.00 H new ATOM 0 HG23 VAL A 115 -4.965 11.640 -9.549 1.00 0.00 H new ATOM 1781 N THR A 116 -8.082 14.542 -8.633 1.00 0.00 N ATOM 1782 CA THR A 116 -9.420 14.654 -9.199 1.00 0.00 C ATOM 1783 C THR A 116 -9.719 13.489 -10.137 1.00 0.00 C ATOM 1784 O THR A 116 -10.493 13.624 -11.085 1.00 0.00 O ATOM 1785 CB THR A 116 -9.597 15.976 -9.969 1.00 0.00 C ATOM 1786 OG1 THR A 116 -8.793 15.964 -11.154 1.00 0.00 O ATOM 1787 CG2 THR A 116 -9.211 17.163 -9.100 1.00 0.00 C ATOM 0 H THR A 116 -8.030 14.734 -7.633 1.00 0.00 H new ATOM 0 HA THR A 116 -10.119 14.634 -8.363 1.00 0.00 H new ATOM 0 HB THR A 116 -10.647 16.073 -10.244 1.00 0.00 H new ATOM 0 HG1 THR A 116 -8.366 15.087 -11.251 1.00 0.00 H new ATOM 0 HG21 THR A 116 -9.344 18.086 -9.665 1.00 0.00 H new ATOM 0 HG22 THR A 116 -9.844 17.186 -8.213 1.00 0.00 H new ATOM 0 HG23 THR A 116 -8.168 17.069 -8.799 1.00 0.00 H new ATOM 1795 N THR A 117 -9.099 12.344 -9.867 1.00 0.00 N ATOM 1796 CA THR A 117 -9.298 11.156 -10.687 1.00 0.00 C ATOM 1797 C THR A 117 -9.314 9.894 -9.832 1.00 0.00 C ATOM 1798 O THR A 117 -8.507 9.743 -8.915 1.00 0.00 O ATOM 1799 CB THR A 117 -8.200 11.023 -11.759 1.00 0.00 C ATOM 1800 OG1 THR A 117 -8.108 12.232 -12.519 1.00 0.00 O ATOM 1801 CG2 THR A 117 -8.489 9.853 -12.688 1.00 0.00 C ATOM 0 H THR A 117 -8.455 12.215 -9.087 1.00 0.00 H new ATOM 0 HA THR A 117 -10.264 11.270 -11.179 1.00 0.00 H new ATOM 0 HB THR A 117 -7.251 10.839 -11.255 1.00 0.00 H new ATOM 0 HG1 THR A 117 -7.766 12.952 -11.949 1.00 0.00 H new ATOM 0 HG21 THR A 117 -7.700 9.779 -13.436 1.00 0.00 H new ATOM 0 HG22 THR A 117 -8.528 8.930 -12.109 1.00 0.00 H new ATOM 0 HG23 THR A 117 -9.446 10.011 -13.184 1.00 0.00 H new ATOM 1809 N VAL A 118 -10.239 8.989 -10.138 1.00 0.00 N ATOM 1810 CA VAL A 118 -10.359 7.739 -9.399 1.00 0.00 C ATOM 1811 C VAL A 118 -11.399 6.821 -10.034 1.00 0.00 C ATOM 1812 O VAL A 118 -12.578 7.158 -10.138 1.00 0.00 O ATOM 1813 CB VAL A 118 -10.743 7.991 -7.928 1.00 0.00 C ATOM 1814 CG1 VAL A 118 -12.227 8.304 -7.810 1.00 0.00 C ATOM 1815 CG2 VAL A 118 -10.372 6.792 -7.068 1.00 0.00 C ATOM 0 H VAL A 118 -10.916 9.099 -10.893 1.00 0.00 H new ATOM 0 HA VAL A 118 -9.383 7.256 -9.435 1.00 0.00 H new ATOM 0 HB VAL A 118 -10.184 8.855 -7.567 1.00 0.00 H new ATOM 0 HG11 VAL A 118 -12.480 8.479 -6.764 1.00 0.00 H new ATOM 0 HG12 VAL A 118 -12.458 9.195 -8.393 1.00 0.00 H new ATOM 0 HG13 VAL A 118 -12.808 7.462 -8.188 1.00 0.00 H new ATOM 0 HG21 VAL A 118 -10.650 6.987 -6.032 1.00 0.00 H new ATOM 0 HG22 VAL A 118 -10.902 5.909 -7.426 1.00 0.00 H new ATOM 0 HG23 VAL A 118 -9.297 6.619 -7.129 1.00 0.00 H new ATOM 1825 N PRO A 119 -10.953 5.634 -10.469 1.00 0.00 N ATOM 1826 CA PRO A 119 -11.829 4.643 -11.101 1.00 0.00 C ATOM 1827 C PRO A 119 -12.810 4.023 -10.112 1.00 0.00 C ATOM 1828 O PRO A 119 -12.713 4.215 -8.901 1.00 0.00 O ATOM 1829 CB PRO A 119 -10.851 3.585 -11.619 1.00 0.00 C ATOM 1830 CG PRO A 119 -9.655 3.711 -10.740 1.00 0.00 C ATOM 1831 CD PRO A 119 -9.560 5.167 -10.377 1.00 0.00 C ATOM 0 HA PRO A 119 -12.451 5.085 -11.879 1.00 0.00 H new ATOM 0 HB2 PRO A 119 -11.282 2.585 -11.560 1.00 0.00 H new ATOM 0 HB3 PRO A 119 -10.595 3.761 -12.664 1.00 0.00 H new ATOM 0 HG2 PRO A 119 -9.759 3.092 -9.849 1.00 0.00 H new ATOM 0 HG3 PRO A 119 -8.755 3.378 -11.256 1.00 0.00 H new ATOM 0 HD2 PRO A 119 -9.155 5.305 -9.374 1.00 0.00 H new ATOM 0 HD3 PRO A 119 -8.908 5.710 -11.062 1.00 0.00 H new ATOM 1839 N PRO A 120 -13.779 3.259 -10.640 1.00 0.00 N ATOM 1840 CA PRO A 120 -14.796 2.594 -9.820 1.00 0.00 C ATOM 1841 C PRO A 120 -14.218 1.456 -8.988 1.00 0.00 C ATOM 1842 O PRO A 120 -14.945 0.752 -8.289 1.00 0.00 O ATOM 1843 CB PRO A 120 -15.785 2.051 -10.855 1.00 0.00 C ATOM 1844 CG PRO A 120 -14.981 1.886 -12.098 1.00 0.00 C ATOM 1845 CD PRO A 120 -13.955 2.986 -12.076 1.00 0.00 C ATOM 0 HA PRO A 120 -15.245 3.274 -9.096 1.00 0.00 H new ATOM 0 HB2 PRO A 120 -16.214 1.102 -10.533 1.00 0.00 H new ATOM 0 HB3 PRO A 120 -16.615 2.741 -11.009 1.00 0.00 H new ATOM 0 HG2 PRO A 120 -14.503 0.907 -12.127 1.00 0.00 H new ATOM 0 HG3 PRO A 120 -15.612 1.959 -12.984 1.00 0.00 H new ATOM 0 HD2 PRO A 120 -13.021 2.674 -12.543 1.00 0.00 H new ATOM 0 HD3 PRO A 120 -14.301 3.869 -12.614 1.00 0.00 H new ATOM 1853 N GLY A 121 -12.902 1.280 -9.068 1.00 0.00 N ATOM 1854 CA GLY A 121 -12.246 0.226 -8.315 1.00 0.00 C ATOM 1855 C GLY A 121 -11.509 0.752 -7.100 1.00 0.00 C ATOM 1856 O GLY A 121 -10.941 -0.020 -6.328 1.00 0.00 O ATOM 0 H GLY A 121 -12.278 1.849 -9.641 1.00 0.00 H new ATOM 0 HA2 GLY A 121 -12.989 -0.505 -7.997 1.00 0.00 H new ATOM 0 HA3 GLY A 121 -11.543 -0.296 -8.964 1.00 0.00 H new ATOM 1860 N ALA A 122 -11.516 2.070 -6.931 1.00 0.00 N ATOM 1861 CA ALA A 122 -10.843 2.699 -5.801 1.00 0.00 C ATOM 1862 C ALA A 122 -11.805 3.572 -5.004 1.00 0.00 C ATOM 1863 O ALA A 122 -12.935 3.816 -5.431 1.00 0.00 O ATOM 1864 CB ALA A 122 -9.657 3.522 -6.284 1.00 0.00 C ATOM 0 H ALA A 122 -11.980 2.723 -7.562 1.00 0.00 H new ATOM 0 HA ALA A 122 -10.480 1.910 -5.142 1.00 0.00 H new ATOM 0 HB1 ALA A 122 -9.164 3.986 -5.430 1.00 0.00 H new ATOM 0 HB2 ALA A 122 -8.951 2.873 -6.802 1.00 0.00 H new ATOM 0 HB3 ALA A 122 -10.006 4.297 -6.966 1.00 0.00 H new ATOM 1870 N ARG A 123 -11.354 4.039 -3.845 1.00 0.00 N ATOM 1871 CA ARG A 123 -12.177 4.883 -2.987 1.00 0.00 C ATOM 1872 C ARG A 123 -11.308 5.813 -2.146 1.00 0.00 C ATOM 1873 O ARG A 123 -10.304 5.391 -1.572 1.00 0.00 O ATOM 1874 CB ARG A 123 -13.052 4.021 -2.075 1.00 0.00 C ATOM 1875 CG ARG A 123 -12.346 3.562 -0.810 1.00 0.00 C ATOM 1876 CD ARG A 123 -13.277 2.766 0.090 1.00 0.00 C ATOM 1877 NE ARG A 123 -14.401 3.569 0.562 1.00 0.00 N ATOM 1878 CZ ARG A 123 -15.522 3.741 -0.129 1.00 0.00 C ATOM 1879 NH1 ARG A 123 -15.668 3.169 -1.317 1.00 0.00 N ATOM 1880 NH2 ARG A 123 -16.502 4.487 0.367 1.00 0.00 N ATOM 0 H ARG A 123 -10.422 3.847 -3.478 1.00 0.00 H new ATOM 0 HA ARG A 123 -12.819 5.491 -3.625 1.00 0.00 H new ATOM 0 HB2 ARG A 123 -13.942 4.586 -1.799 1.00 0.00 H new ATOM 0 HB3 ARG A 123 -13.389 3.146 -2.630 1.00 0.00 H new ATOM 0 HG2 ARG A 123 -11.484 2.950 -1.075 1.00 0.00 H new ATOM 0 HG3 ARG A 123 -11.968 4.429 -0.268 1.00 0.00 H new ATOM 0 HD2 ARG A 123 -13.654 1.900 -0.454 1.00 0.00 H new ATOM 0 HD3 ARG A 123 -12.718 2.387 0.945 1.00 0.00 H new ATOM 0 HE ARG A 123 -14.321 4.023 1.472 1.00 0.00 H new ATOM 0 HH11 ARG A 123 -14.918 2.595 -1.702 1.00 0.00 H new ATOM 0 HH12 ARG A 123 -16.530 3.303 -1.845 1.00 0.00 H new ATOM 0 HH21 ARG A 123 -16.394 4.929 1.280 1.00 0.00 H new ATOM 0 HH22 ARG A 123 -17.362 4.618 -0.165 1.00 0.00 H new ATOM 1894 N TRP A 124 -11.702 7.080 -2.078 1.00 0.00 N ATOM 1895 CA TRP A 124 -10.959 8.070 -1.307 1.00 0.00 C ATOM 1896 C TRP A 124 -11.654 8.362 0.018 1.00 0.00 C ATOM 1897 O TRP A 124 -12.694 9.023 0.053 1.00 0.00 O ATOM 1898 CB TRP A 124 -10.805 9.362 -2.112 1.00 0.00 C ATOM 1899 CG TRP A 124 -9.584 9.379 -2.981 1.00 0.00 C ATOM 1900 CD1 TRP A 124 -9.462 8.849 -4.234 1.00 0.00 C ATOM 1901 CD2 TRP A 124 -8.311 9.951 -2.659 1.00 0.00 C ATOM 1902 NE1 TRP A 124 -8.191 9.059 -4.711 1.00 0.00 N ATOM 1903 CE2 TRP A 124 -7.465 9.733 -3.765 1.00 0.00 C ATOM 1904 CE3 TRP A 124 -7.804 10.628 -1.547 1.00 0.00 C ATOM 1905 CZ2 TRP A 124 -6.143 10.167 -3.786 1.00 0.00 C ATOM 1906 CZ3 TRP A 124 -6.491 11.059 -1.570 1.00 0.00 C ATOM 1907 CH2 TRP A 124 -5.673 10.828 -2.684 1.00 0.00 C ATOM 0 H TRP A 124 -12.531 7.445 -2.547 1.00 0.00 H new ATOM 0 HA TRP A 124 -9.971 7.662 -1.095 1.00 0.00 H new ATOM 0 HB2 TRP A 124 -11.688 9.500 -2.736 1.00 0.00 H new ATOM 0 HB3 TRP A 124 -10.765 10.207 -1.425 1.00 0.00 H new ATOM 0 HD1 TRP A 124 -10.249 8.340 -4.771 1.00 0.00 H new ATOM 0 HE1 TRP A 124 -7.844 8.761 -5.623 1.00 0.00 H new ATOM 0 HE3 TRP A 124 -8.427 10.811 -0.684 1.00 0.00 H new ATOM 0 HZ2 TRP A 124 -5.510 9.988 -4.642 1.00 0.00 H new ATOM 0 HZ3 TRP A 124 -6.089 11.582 -0.715 1.00 0.00 H new ATOM 0 HH2 TRP A 124 -4.652 11.179 -2.673 1.00 0.00 H new ATOM 1918 N LEU A 125 -11.077 7.867 1.107 1.00 0.00 N ATOM 1919 CA LEU A 125 -11.641 8.076 2.435 1.00 0.00 C ATOM 1920 C LEU A 125 -10.610 8.693 3.374 1.00 0.00 C ATOM 1921 O LEU A 125 -9.426 8.777 3.046 1.00 0.00 O ATOM 1922 CB LEU A 125 -12.145 6.751 3.011 1.00 0.00 C ATOM 1923 CG LEU A 125 -11.176 5.571 2.924 1.00 0.00 C ATOM 1924 CD1 LEU A 125 -10.007 5.767 3.878 1.00 0.00 C ATOM 1925 CD2 LEU A 125 -11.897 4.265 3.224 1.00 0.00 C ATOM 0 H LEU A 125 -10.218 7.317 1.096 1.00 0.00 H new ATOM 0 HA LEU A 125 -12.479 8.767 2.342 1.00 0.00 H new ATOM 0 HB2 LEU A 125 -12.403 6.908 4.058 1.00 0.00 H new ATOM 0 HB3 LEU A 125 -13.065 6.479 2.494 1.00 0.00 H new ATOM 0 HG LEU A 125 -10.785 5.522 1.908 1.00 0.00 H new ATOM 0 HD11 LEU A 125 -9.329 4.917 3.802 1.00 0.00 H new ATOM 0 HD12 LEU A 125 -9.474 6.681 3.617 1.00 0.00 H new ATOM 0 HD13 LEU A 125 -10.380 5.843 4.899 1.00 0.00 H new ATOM 0 HD21 LEU A 125 -11.192 3.436 3.157 1.00 0.00 H new ATOM 0 HD22 LEU A 125 -12.317 4.304 4.229 1.00 0.00 H new ATOM 0 HD23 LEU A 125 -12.699 4.118 2.501 1.00 0.00 H new ATOM 1937 N THR A 126 -11.067 9.121 4.547 1.00 0.00 N ATOM 1938 CA THR A 126 -10.185 9.730 5.535 1.00 0.00 C ATOM 1939 C THR A 126 -9.615 8.681 6.483 1.00 0.00 C ATOM 1940 O THR A 126 -10.153 7.580 6.600 1.00 0.00 O ATOM 1941 CB THR A 126 -10.919 10.804 6.358 1.00 0.00 C ATOM 1942 OG1 THR A 126 -11.731 10.183 7.362 1.00 0.00 O ATOM 1943 CG2 THR A 126 -11.790 11.672 5.462 1.00 0.00 C ATOM 0 H THR A 126 -12.043 9.057 4.836 1.00 0.00 H new ATOM 0 HA THR A 126 -9.370 10.200 4.984 1.00 0.00 H new ATOM 0 HB THR A 126 -10.171 11.437 6.835 1.00 0.00 H new ATOM 0 HG1 THR A 126 -12.193 10.873 7.882 1.00 0.00 H new ATOM 0 HG21 THR A 126 -12.298 12.423 6.066 1.00 0.00 H new ATOM 0 HG22 THR A 126 -11.167 12.167 4.717 1.00 0.00 H new ATOM 0 HG23 THR A 126 -12.530 11.049 4.960 1.00 0.00 H new ATOM 1951 N GLN A 127 -8.524 9.029 7.157 1.00 0.00 N ATOM 1952 CA GLN A 127 -7.882 8.116 8.096 1.00 0.00 C ATOM 1953 C GLN A 127 -8.912 7.471 9.018 1.00 0.00 C ATOM 1954 O GLN A 127 -8.914 6.255 9.205 1.00 0.00 O ATOM 1955 CB GLN A 127 -6.832 8.858 8.923 1.00 0.00 C ATOM 1956 CG GLN A 127 -5.827 9.629 8.083 1.00 0.00 C ATOM 1957 CD GLN A 127 -6.290 11.038 7.766 1.00 0.00 C ATOM 1958 OE1 GLN A 127 -6.738 11.321 6.655 1.00 0.00 O ATOM 1959 NE2 GLN A 127 -6.183 11.929 8.743 1.00 0.00 N ATOM 0 H GLN A 127 -8.066 9.936 7.071 1.00 0.00 H new ATOM 0 HA GLN A 127 -7.392 7.329 7.523 1.00 0.00 H new ATOM 0 HB2 GLN A 127 -7.336 9.550 9.597 1.00 0.00 H new ATOM 0 HB3 GLN A 127 -6.298 8.140 9.545 1.00 0.00 H new ATOM 0 HG2 GLN A 127 -4.875 9.674 8.612 1.00 0.00 H new ATOM 0 HG3 GLN A 127 -5.649 9.091 7.152 1.00 0.00 H new ATOM 0 HE21 GLN A 127 -5.806 11.650 9.649 1.00 0.00 H new ATOM 0 HE22 GLN A 127 -6.478 12.893 8.589 1.00 0.00 H new ATOM 1968 N GLU A 128 -9.783 8.294 9.592 1.00 0.00 N ATOM 1969 CA GLU A 128 -10.816 7.802 10.496 1.00 0.00 C ATOM 1970 C GLU A 128 -11.680 6.748 9.812 1.00 0.00 C ATOM 1971 O GLU A 128 -11.933 5.681 10.370 1.00 0.00 O ATOM 1972 CB GLU A 128 -11.693 8.959 10.982 1.00 0.00 C ATOM 1973 CG GLU A 128 -11.000 9.869 11.984 1.00 0.00 C ATOM 1974 CD GLU A 128 -10.492 9.118 13.199 1.00 0.00 C ATOM 1975 OE1 GLU A 128 -11.318 8.766 14.067 1.00 0.00 O ATOM 1976 OE2 GLU A 128 -9.269 8.881 13.282 1.00 0.00 O ATOM 0 H GLU A 128 -9.794 9.304 9.448 1.00 0.00 H new ATOM 0 HA GLU A 128 -10.324 7.343 11.354 1.00 0.00 H new ATOM 0 HB2 GLU A 128 -12.007 9.551 10.123 1.00 0.00 H new ATOM 0 HB3 GLU A 128 -12.596 8.553 11.437 1.00 0.00 H new ATOM 0 HG2 GLU A 128 -10.164 10.371 11.496 1.00 0.00 H new ATOM 0 HG3 GLU A 128 -11.695 10.645 12.305 1.00 0.00 H new ATOM 1983 N GLU A 129 -12.130 7.055 8.599 1.00 0.00 N ATOM 1984 CA GLU A 129 -12.968 6.133 7.840 1.00 0.00 C ATOM 1985 C GLU A 129 -12.241 4.814 7.596 1.00 0.00 C ATOM 1986 O GLU A 129 -12.830 3.738 7.713 1.00 0.00 O ATOM 1987 CB GLU A 129 -13.371 6.760 6.503 1.00 0.00 C ATOM 1988 CG GLU A 129 -14.591 7.661 6.598 1.00 0.00 C ATOM 1989 CD GLU A 129 -15.888 6.882 6.685 1.00 0.00 C ATOM 1990 OE1 GLU A 129 -16.294 6.529 7.812 1.00 0.00 O ATOM 1991 OE2 GLU A 129 -16.497 6.623 5.626 1.00 0.00 O ATOM 0 H GLU A 129 -11.929 7.934 8.121 1.00 0.00 H new ATOM 0 HA GLU A 129 -13.866 5.931 8.425 1.00 0.00 H new ATOM 0 HB2 GLU A 129 -12.532 7.338 6.114 1.00 0.00 H new ATOM 0 HB3 GLU A 129 -13.571 5.966 5.784 1.00 0.00 H new ATOM 0 HG2 GLU A 129 -14.497 8.302 7.475 1.00 0.00 H new ATOM 0 HG3 GLU A 129 -14.623 8.316 5.727 1.00 0.00 H new ATOM 1998 N PHE A 130 -10.960 4.903 7.257 1.00 0.00 N ATOM 1999 CA PHE A 130 -10.153 3.718 6.995 1.00 0.00 C ATOM 2000 C PHE A 130 -10.221 2.744 8.169 1.00 0.00 C ATOM 2001 O PHE A 130 -10.478 1.554 7.988 1.00 0.00 O ATOM 2002 CB PHE A 130 -8.699 4.113 6.729 1.00 0.00 C ATOM 2003 CG PHE A 130 -7.749 2.950 6.747 1.00 0.00 C ATOM 2004 CD1 PHE A 130 -7.759 2.013 5.726 1.00 0.00 C ATOM 2005 CD2 PHE A 130 -6.847 2.792 7.787 1.00 0.00 C ATOM 2006 CE1 PHE A 130 -6.885 0.942 5.740 1.00 0.00 C ATOM 2007 CE2 PHE A 130 -5.971 1.723 7.806 1.00 0.00 C ATOM 2008 CZ PHE A 130 -5.991 0.797 6.782 1.00 0.00 C ATOM 0 H PHE A 130 -10.458 5.785 7.157 1.00 0.00 H new ATOM 0 HA PHE A 130 -10.555 3.223 6.111 1.00 0.00 H new ATOM 0 HB2 PHE A 130 -8.637 4.608 5.760 1.00 0.00 H new ATOM 0 HB3 PHE A 130 -8.385 4.840 7.478 1.00 0.00 H new ATOM 0 HD1 PHE A 130 -8.458 2.121 4.910 1.00 0.00 H new ATOM 0 HD2 PHE A 130 -6.828 3.512 8.592 1.00 0.00 H new ATOM 0 HE1 PHE A 130 -6.902 0.220 4.937 1.00 0.00 H new ATOM 0 HE2 PHE A 130 -5.271 1.612 8.621 1.00 0.00 H new ATOM 0 HZ PHE A 130 -5.308 -0.040 6.796 1.00 0.00 H new ATOM 2018 N HIS A 131 -9.986 3.260 9.371 1.00 0.00 N ATOM 2019 CA HIS A 131 -10.020 2.436 10.575 1.00 0.00 C ATOM 2020 C HIS A 131 -11.291 1.594 10.622 1.00 0.00 C ATOM 2021 O HIS A 131 -11.237 0.380 10.817 1.00 0.00 O ATOM 2022 CB HIS A 131 -9.932 3.317 11.822 1.00 0.00 C ATOM 2023 CG HIS A 131 -8.527 3.651 12.221 1.00 0.00 C ATOM 2024 ND1 HIS A 131 -7.751 2.827 13.008 1.00 0.00 N ATOM 2025 CD2 HIS A 131 -7.759 4.728 11.935 1.00 0.00 C ATOM 2026 CE1 HIS A 131 -6.567 3.382 13.191 1.00 0.00 C ATOM 2027 NE2 HIS A 131 -6.545 4.537 12.549 1.00 0.00 N ATOM 0 H HIS A 131 -9.770 4.243 9.538 1.00 0.00 H new ATOM 0 HA HIS A 131 -9.162 1.765 10.551 1.00 0.00 H new ATOM 0 HB2 HIS A 131 -10.480 4.242 11.643 1.00 0.00 H new ATOM 0 HB3 HIS A 131 -10.426 2.810 12.651 1.00 0.00 H new ATOM 0 HD2 HIS A 131 -8.047 5.579 11.336 1.00 0.00 H new ATOM 0 HE1 HIS A 131 -5.755 2.963 13.767 1.00 0.00 H new ATOM 0 HE2 HIS A 131 -5.755 5.182 12.515 1.00 0.00 H new ATOM 2036 N THR A 132 -12.435 2.247 10.441 1.00 0.00 N ATOM 2037 CA THR A 132 -13.719 1.559 10.465 1.00 0.00 C ATOM 2038 C THR A 132 -13.893 0.678 9.233 1.00 0.00 C ATOM 2039 O THR A 132 -14.733 -0.222 9.216 1.00 0.00 O ATOM 2040 CB THR A 132 -14.890 2.556 10.538 1.00 0.00 C ATOM 2041 OG1 THR A 132 -14.920 3.364 9.356 1.00 0.00 O ATOM 2042 CG2 THR A 132 -14.766 3.449 11.765 1.00 0.00 C ATOM 0 H THR A 132 -12.498 3.252 10.276 1.00 0.00 H new ATOM 0 HA THR A 132 -13.727 0.936 11.359 1.00 0.00 H new ATOM 0 HB THR A 132 -15.817 1.988 10.614 1.00 0.00 H new ATOM 0 HG1 THR A 132 -14.005 3.517 9.041 1.00 0.00 H new ATOM 0 HG21 THR A 132 -15.604 4.145 11.795 1.00 0.00 H new ATOM 0 HG22 THR A 132 -14.773 2.834 12.665 1.00 0.00 H new ATOM 0 HG23 THR A 132 -13.832 4.008 11.715 1.00 0.00 H new ATOM 2050 N ALA A 133 -13.095 0.942 8.205 1.00 0.00 N ATOM 2051 CA ALA A 133 -13.159 0.170 6.970 1.00 0.00 C ATOM 2052 C ALA A 133 -12.633 -1.246 7.179 1.00 0.00 C ATOM 2053 O ALA A 133 -11.733 -1.471 7.987 1.00 0.00 O ATOM 2054 CB ALA A 133 -12.375 0.869 5.869 1.00 0.00 C ATOM 0 H ALA A 133 -12.396 1.685 8.202 1.00 0.00 H new ATOM 0 HA ALA A 133 -14.204 0.100 6.669 1.00 0.00 H new ATOM 0 HB1 ALA A 133 -12.432 0.281 4.953 1.00 0.00 H new ATOM 0 HB2 ALA A 133 -12.798 1.858 5.693 1.00 0.00 H new ATOM 0 HB3 ALA A 133 -11.333 0.969 6.172 1.00 0.00 H new ATOM 2060 N ALA A 134 -13.202 -2.198 6.445 1.00 0.00 N ATOM 2061 CA ALA A 134 -12.789 -3.591 6.550 1.00 0.00 C ATOM 2062 C ALA A 134 -11.413 -3.805 5.927 1.00 0.00 C ATOM 2063 O ALA A 134 -11.290 -3.975 4.713 1.00 0.00 O ATOM 2064 CB ALA A 134 -13.817 -4.497 5.889 1.00 0.00 C ATOM 0 H ALA A 134 -13.950 -2.029 5.772 1.00 0.00 H new ATOM 0 HA ALA A 134 -12.723 -3.846 7.608 1.00 0.00 H new ATOM 0 HB1 ALA A 134 -13.496 -5.535 5.975 1.00 0.00 H new ATOM 0 HB2 ALA A 134 -14.781 -4.374 6.382 1.00 0.00 H new ATOM 0 HB3 ALA A 134 -13.912 -4.232 4.836 1.00 0.00 H new ATOM 2070 N VAL A 135 -10.381 -3.794 6.764 1.00 0.00 N ATOM 2071 CA VAL A 135 -9.014 -3.987 6.294 1.00 0.00 C ATOM 2072 C VAL A 135 -8.293 -5.046 7.120 1.00 0.00 C ATOM 2073 O VAL A 135 -8.524 -5.173 8.323 1.00 0.00 O ATOM 2074 CB VAL A 135 -8.211 -2.673 6.349 1.00 0.00 C ATOM 2075 CG1 VAL A 135 -7.072 -2.702 5.341 1.00 0.00 C ATOM 2076 CG2 VAL A 135 -9.123 -1.481 6.102 1.00 0.00 C ATOM 0 H VAL A 135 -10.465 -3.654 7.771 1.00 0.00 H new ATOM 0 HA VAL A 135 -9.079 -4.321 5.259 1.00 0.00 H new ATOM 0 HB VAL A 135 -7.780 -2.571 7.345 1.00 0.00 H new ATOM 0 HG11 VAL A 135 -6.516 -1.766 5.394 1.00 0.00 H new ATOM 0 HG12 VAL A 135 -6.405 -3.534 5.569 1.00 0.00 H new ATOM 0 HG13 VAL A 135 -7.478 -2.827 4.337 1.00 0.00 H new ATOM 0 HG21 VAL A 135 -8.539 -0.561 6.144 1.00 0.00 H new ATOM 0 HG22 VAL A 135 -9.584 -1.573 5.119 1.00 0.00 H new ATOM 0 HG23 VAL A 135 -9.900 -1.453 6.866 1.00 0.00 H new ATOM 2086 N SER A 136 -7.418 -5.803 6.468 1.00 0.00 N ATOM 2087 CA SER A 136 -6.665 -6.854 7.142 1.00 0.00 C ATOM 2088 C SER A 136 -5.644 -6.258 8.107 1.00 0.00 C ATOM 2089 O SER A 136 -5.155 -5.146 7.903 1.00 0.00 O ATOM 2090 CB SER A 136 -5.957 -7.741 6.117 1.00 0.00 C ATOM 2091 OG SER A 136 -4.739 -7.156 5.690 1.00 0.00 O ATOM 0 H SER A 136 -7.213 -5.709 5.473 1.00 0.00 H new ATOM 0 HA SER A 136 -7.368 -7.461 7.713 1.00 0.00 H new ATOM 0 HB2 SER A 136 -5.760 -8.720 6.553 1.00 0.00 H new ATOM 0 HB3 SER A 136 -6.608 -7.900 5.258 1.00 0.00 H new ATOM 0 HG SER A 136 -4.305 -7.744 5.036 1.00 0.00 H new ATOM 2097 N THR A 137 -5.326 -7.005 9.160 1.00 0.00 N ATOM 2098 CA THR A 137 -4.366 -6.552 10.157 1.00 0.00 C ATOM 2099 C THR A 137 -3.118 -5.975 9.497 1.00 0.00 C ATOM 2100 O THR A 137 -2.746 -4.829 9.746 1.00 0.00 O ATOM 2101 CB THR A 137 -3.951 -7.698 11.099 1.00 0.00 C ATOM 2102 OG1 THR A 137 -5.113 -8.375 11.589 1.00 0.00 O ATOM 2103 CG2 THR A 137 -3.135 -7.168 12.269 1.00 0.00 C ATOM 0 H THR A 137 -5.720 -7.928 9.344 1.00 0.00 H new ATOM 0 HA THR A 137 -4.859 -5.773 10.739 1.00 0.00 H new ATOM 0 HB THR A 137 -3.335 -8.398 10.534 1.00 0.00 H new ATOM 0 HG1 THR A 137 -4.840 -9.103 12.186 1.00 0.00 H new ATOM 0 HG21 THR A 137 -2.853 -7.995 12.921 1.00 0.00 H new ATOM 0 HG22 THR A 137 -2.236 -6.679 11.894 1.00 0.00 H new ATOM 0 HG23 THR A 137 -3.731 -6.449 12.832 1.00 0.00 H new ATOM 2111 N ALA A 138 -2.477 -6.776 8.652 1.00 0.00 N ATOM 2112 CA ALA A 138 -1.273 -6.343 7.954 1.00 0.00 C ATOM 2113 C ALA A 138 -1.393 -4.893 7.500 1.00 0.00 C ATOM 2114 O ALA A 138 -0.621 -4.034 7.928 1.00 0.00 O ATOM 2115 CB ALA A 138 -0.999 -7.250 6.763 1.00 0.00 C ATOM 0 H ALA A 138 -2.772 -7.728 8.434 1.00 0.00 H new ATOM 0 HA ALA A 138 -0.436 -6.410 8.649 1.00 0.00 H new ATOM 0 HB1 ALA A 138 -0.097 -6.915 6.251 1.00 0.00 H new ATOM 0 HB2 ALA A 138 -0.861 -8.274 7.110 1.00 0.00 H new ATOM 0 HB3 ALA A 138 -1.843 -7.211 6.074 1.00 0.00 H new ATOM 2121 N MET A 139 -2.364 -4.626 6.633 1.00 0.00 N ATOM 2122 CA MET A 139 -2.584 -3.279 6.122 1.00 0.00 C ATOM 2123 C MET A 139 -2.883 -2.308 7.261 1.00 0.00 C ATOM 2124 O MET A 139 -2.270 -1.245 7.362 1.00 0.00 O ATOM 2125 CB MET A 139 -3.735 -3.272 5.115 1.00 0.00 C ATOM 2126 CG MET A 139 -3.630 -4.368 4.067 1.00 0.00 C ATOM 2127 SD MET A 139 -2.064 -4.327 3.174 1.00 0.00 S ATOM 2128 CE MET A 139 -1.866 -2.565 2.918 1.00 0.00 C ATOM 0 H MET A 139 -3.011 -5.326 6.270 1.00 0.00 H new ATOM 0 HA MET A 139 -1.672 -2.955 5.621 1.00 0.00 H new ATOM 0 HB2 MET A 139 -4.677 -3.382 5.652 1.00 0.00 H new ATOM 0 HB3 MET A 139 -3.764 -2.304 4.615 1.00 0.00 H new ATOM 0 HG2 MET A 139 -3.743 -5.339 4.549 1.00 0.00 H new ATOM 0 HG3 MET A 139 -4.451 -4.267 3.357 1.00 0.00 H new ATOM 0 HE1 MET A 139 -1.207 -2.393 2.067 1.00 0.00 H new ATOM 0 HE2 MET A 139 -2.839 -2.114 2.721 1.00 0.00 H new ATOM 0 HE3 MET A 139 -1.431 -2.114 3.810 1.00 0.00 H new ATOM 2138 N LYS A 140 -3.829 -2.680 8.116 1.00 0.00 N ATOM 2139 CA LYS A 140 -4.211 -1.845 9.248 1.00 0.00 C ATOM 2140 C LYS A 140 -2.990 -1.466 10.080 1.00 0.00 C ATOM 2141 O LYS A 140 -3.012 -0.485 10.824 1.00 0.00 O ATOM 2142 CB LYS A 140 -5.232 -2.572 10.124 1.00 0.00 C ATOM 2143 CG LYS A 140 -6.610 -2.678 9.493 1.00 0.00 C ATOM 2144 CD LYS A 140 -7.700 -2.781 10.545 1.00 0.00 C ATOM 2145 CE LYS A 140 -8.211 -1.409 10.954 1.00 0.00 C ATOM 2146 NZ LYS A 140 -8.881 -1.440 12.285 1.00 0.00 N ATOM 0 H LYS A 140 -4.346 -3.556 8.046 1.00 0.00 H new ATOM 0 HA LYS A 140 -4.662 -0.932 8.858 1.00 0.00 H new ATOM 0 HB2 LYS A 140 -4.863 -3.574 10.341 1.00 0.00 H new ATOM 0 HB3 LYS A 140 -5.317 -2.050 11.077 1.00 0.00 H new ATOM 0 HG2 LYS A 140 -6.791 -1.806 8.865 1.00 0.00 H new ATOM 0 HG3 LYS A 140 -6.647 -3.552 8.843 1.00 0.00 H new ATOM 0 HD2 LYS A 140 -8.526 -3.377 10.157 1.00 0.00 H new ATOM 0 HD3 LYS A 140 -7.314 -3.303 11.421 1.00 0.00 H new ATOM 0 HE2 LYS A 140 -7.379 -0.705 10.983 1.00 0.00 H new ATOM 0 HE3 LYS A 140 -8.912 -1.044 10.203 1.00 0.00 H new ATOM 0 HZ1 LYS A 140 -9.215 -0.486 12.528 1.00 0.00 H new ATOM 0 HZ2 LYS A 140 -9.690 -2.092 12.251 1.00 0.00 H new ATOM 0 HZ3 LYS A 140 -8.205 -1.764 13.006 1.00 0.00 H new ATOM 2160 N LYS A 141 -1.924 -2.250 9.949 1.00 0.00 N ATOM 2161 CA LYS A 141 -0.693 -1.996 10.687 1.00 0.00 C ATOM 2162 C LYS A 141 0.196 -1.009 9.938 1.00 0.00 C ATOM 2163 O LYS A 141 0.984 -0.282 10.545 1.00 0.00 O ATOM 2164 CB LYS A 141 0.066 -3.305 10.920 1.00 0.00 C ATOM 2165 CG LYS A 141 -0.377 -4.050 12.168 1.00 0.00 C ATOM 2166 CD LYS A 141 0.291 -5.411 12.272 1.00 0.00 C ATOM 2167 CE LYS A 141 0.476 -5.832 13.722 1.00 0.00 C ATOM 2168 NZ LYS A 141 -0.829 -6.047 14.407 1.00 0.00 N ATOM 0 H LYS A 141 -1.889 -3.066 9.338 1.00 0.00 H new ATOM 0 HA LYS A 141 -0.960 -1.561 11.650 1.00 0.00 H new ATOM 0 HB2 LYS A 141 -0.068 -3.952 10.053 1.00 0.00 H new ATOM 0 HB3 LYS A 141 1.132 -3.089 10.995 1.00 0.00 H new ATOM 0 HG2 LYS A 141 -0.137 -3.458 13.051 1.00 0.00 H new ATOM 0 HG3 LYS A 141 -1.460 -4.175 12.153 1.00 0.00 H new ATOM 0 HD2 LYS A 141 -0.312 -6.154 11.750 1.00 0.00 H new ATOM 0 HD3 LYS A 141 1.260 -5.381 11.774 1.00 0.00 H new ATOM 0 HE2 LYS A 141 1.063 -6.750 13.762 1.00 0.00 H new ATOM 0 HE3 LYS A 141 1.043 -5.068 14.253 1.00 0.00 H new ATOM 0 HZ1 LYS A 141 -0.807 -5.598 15.345 1.00 0.00 H new ATOM 0 HZ2 LYS A 141 -1.592 -5.626 13.840 1.00 0.00 H new ATOM 0 HZ3 LYS A 141 -1.000 -7.067 14.515 1.00 0.00 H new ATOM 2182 N VAL A 142 0.065 -0.986 8.615 1.00 0.00 N ATOM 2183 CA VAL A 142 0.855 -0.086 7.783 1.00 0.00 C ATOM 2184 C VAL A 142 0.487 1.370 8.046 1.00 0.00 C ATOM 2185 O VAL A 142 1.263 2.280 7.754 1.00 0.00 O ATOM 2186 CB VAL A 142 0.662 -0.391 6.285 1.00 0.00 C ATOM 2187 CG1 VAL A 142 1.392 0.635 5.434 1.00 0.00 C ATOM 2188 CG2 VAL A 142 1.136 -1.799 5.963 1.00 0.00 C ATOM 0 H VAL A 142 -0.581 -1.581 8.096 1.00 0.00 H new ATOM 0 HA VAL A 142 1.900 -0.247 8.047 1.00 0.00 H new ATOM 0 HB VAL A 142 -0.401 -0.329 6.053 1.00 0.00 H new ATOM 0 HG11 VAL A 142 1.245 0.404 4.379 1.00 0.00 H new ATOM 0 HG12 VAL A 142 0.999 1.629 5.646 1.00 0.00 H new ATOM 0 HG13 VAL A 142 2.457 0.609 5.666 1.00 0.00 H new ATOM 0 HG21 VAL A 142 0.992 -1.997 4.901 1.00 0.00 H new ATOM 0 HG22 VAL A 142 2.194 -1.892 6.210 1.00 0.00 H new ATOM 0 HG23 VAL A 142 0.562 -2.519 6.547 1.00 0.00 H new ATOM 2198 N PHE A 143 -0.702 1.583 8.601 1.00 0.00 N ATOM 2199 CA PHE A 143 -1.174 2.928 8.904 1.00 0.00 C ATOM 2200 C PHE A 143 -0.504 3.470 10.163 1.00 0.00 C ATOM 2201 O PHE A 143 0.163 4.505 10.129 1.00 0.00 O ATOM 2202 CB PHE A 143 -2.694 2.932 9.080 1.00 0.00 C ATOM 2203 CG PHE A 143 -3.242 4.253 9.538 1.00 0.00 C ATOM 2204 CD1 PHE A 143 -3.571 5.236 8.619 1.00 0.00 C ATOM 2205 CD2 PHE A 143 -3.428 4.511 10.887 1.00 0.00 C ATOM 2206 CE1 PHE A 143 -4.076 6.454 9.037 1.00 0.00 C ATOM 2207 CE2 PHE A 143 -3.933 5.726 11.310 1.00 0.00 C ATOM 2208 CZ PHE A 143 -4.256 6.699 10.384 1.00 0.00 C ATOM 0 H PHE A 143 -1.356 0.841 8.850 1.00 0.00 H new ATOM 0 HA PHE A 143 -0.911 3.574 8.067 1.00 0.00 H new ATOM 0 HB2 PHE A 143 -3.162 2.663 8.133 1.00 0.00 H new ATOM 0 HB3 PHE A 143 -2.970 2.163 9.802 1.00 0.00 H new ATOM 0 HD1 PHE A 143 -3.432 5.049 7.564 1.00 0.00 H new ATOM 0 HD2 PHE A 143 -3.176 3.755 11.615 1.00 0.00 H new ATOM 0 HE1 PHE A 143 -4.329 7.212 8.311 1.00 0.00 H new ATOM 0 HE2 PHE A 143 -4.075 5.915 12.364 1.00 0.00 H new ATOM 0 HZ PHE A 143 -4.649 7.650 10.713 1.00 0.00 H new ATOM 2218 N ARG A 144 -0.686 2.763 11.274 1.00 0.00 N ATOM 2219 CA ARG A 144 -0.101 3.172 12.545 1.00 0.00 C ATOM 2220 C ARG A 144 1.396 3.432 12.395 1.00 0.00 C ATOM 2221 O ARG A 144 1.964 4.273 13.093 1.00 0.00 O ATOM 2222 CB ARG A 144 -0.340 2.101 13.610 1.00 0.00 C ATOM 2223 CG ARG A 144 0.680 0.974 13.580 1.00 0.00 C ATOM 2224 CD ARG A 144 0.209 -0.224 14.389 1.00 0.00 C ATOM 2225 NE ARG A 144 0.515 -0.080 15.809 1.00 0.00 N ATOM 2226 CZ ARG A 144 1.685 -0.406 16.346 1.00 0.00 C ATOM 2227 NH1 ARG A 144 2.656 -0.892 15.584 1.00 0.00 N ATOM 2228 NH2 ARG A 144 1.887 -0.247 17.648 1.00 0.00 N ATOM 0 H ARG A 144 -1.234 1.904 11.319 1.00 0.00 H new ATOM 0 HA ARG A 144 -0.584 4.098 12.858 1.00 0.00 H new ATOM 0 HB2 ARG A 144 -0.323 2.569 14.594 1.00 0.00 H new ATOM 0 HB3 ARG A 144 -1.337 1.681 13.474 1.00 0.00 H new ATOM 0 HG2 ARG A 144 0.859 0.671 12.548 1.00 0.00 H new ATOM 0 HG3 ARG A 144 1.631 1.331 13.976 1.00 0.00 H new ATOM 0 HD2 ARG A 144 -0.866 -0.348 14.261 1.00 0.00 H new ATOM 0 HD3 ARG A 144 0.682 -1.128 14.006 1.00 0.00 H new ATOM 0 HE ARG A 144 -0.210 0.292 16.423 1.00 0.00 H new ATOM 0 HH11 ARG A 144 2.505 -1.016 14.583 1.00 0.00 H new ATOM 0 HH12 ARG A 144 3.554 -1.142 15.999 1.00 0.00 H new ATOM 0 HH21 ARG A 144 1.143 0.126 18.238 1.00 0.00 H new ATOM 0 HH22 ARG A 144 2.786 -0.498 18.059 1.00 0.00 H new ATOM 2242 N VAL A 145 2.029 2.702 11.482 1.00 0.00 N ATOM 2243 CA VAL A 145 3.460 2.853 11.242 1.00 0.00 C ATOM 2244 C VAL A 145 3.749 4.101 10.416 1.00 0.00 C ATOM 2245 O VAL A 145 4.804 4.721 10.558 1.00 0.00 O ATOM 2246 CB VAL A 145 4.039 1.624 10.515 1.00 0.00 C ATOM 2247 CG1 VAL A 145 5.507 1.842 10.186 1.00 0.00 C ATOM 2248 CG2 VAL A 145 3.854 0.372 11.359 1.00 0.00 C ATOM 0 H VAL A 145 1.574 2.001 10.897 1.00 0.00 H new ATOM 0 HA VAL A 145 3.937 2.948 12.217 1.00 0.00 H new ATOM 0 HB VAL A 145 3.498 1.488 9.579 1.00 0.00 H new ATOM 0 HG11 VAL A 145 5.899 0.964 9.673 1.00 0.00 H new ATOM 0 HG12 VAL A 145 5.610 2.715 9.541 1.00 0.00 H new ATOM 0 HG13 VAL A 145 6.066 2.004 11.108 1.00 0.00 H new ATOM 0 HG21 VAL A 145 4.268 -0.487 10.831 1.00 0.00 H new ATOM 0 HG22 VAL A 145 4.369 0.496 12.311 1.00 0.00 H new ATOM 0 HG23 VAL A 145 2.792 0.209 11.540 1.00 0.00 H new ATOM 2258 N TYR A 146 2.807 4.464 9.553 1.00 0.00 N ATOM 2259 CA TYR A 146 2.962 5.639 8.702 1.00 0.00 C ATOM 2260 C TYR A 146 2.812 6.922 9.513 1.00 0.00 C ATOM 2261 O TYR A 146 3.471 7.924 9.236 1.00 0.00 O ATOM 2262 CB TYR A 146 1.932 5.613 7.571 1.00 0.00 C ATOM 2263 CG TYR A 146 1.532 6.989 7.086 1.00 0.00 C ATOM 2264 CD1 TYR A 146 2.480 7.873 6.586 1.00 0.00 C ATOM 2265 CD2 TYR A 146 0.207 7.403 7.127 1.00 0.00 C ATOM 2266 CE1 TYR A 146 2.120 9.131 6.142 1.00 0.00 C ATOM 2267 CE2 TYR A 146 -0.163 8.659 6.684 1.00 0.00 C ATOM 2268 CZ TYR A 146 0.797 9.518 6.192 1.00 0.00 C ATOM 2269 OH TYR A 146 0.433 10.770 5.751 1.00 0.00 O ATOM 0 H TYR A 146 1.928 3.962 9.424 1.00 0.00 H new ATOM 0 HA TYR A 146 3.964 5.617 8.273 1.00 0.00 H new ATOM 0 HB2 TYR A 146 2.338 5.045 6.734 1.00 0.00 H new ATOM 0 HB3 TYR A 146 1.042 5.084 7.913 1.00 0.00 H new ATOM 0 HD1 TYR A 146 3.516 7.572 6.544 1.00 0.00 H new ATOM 0 HD2 TYR A 146 -0.547 6.732 7.512 1.00 0.00 H new ATOM 0 HE1 TYR A 146 2.870 9.807 5.758 1.00 0.00 H new ATOM 0 HE2 TYR A 146 -1.198 8.966 6.723 1.00 0.00 H new ATOM 0 HH TYR A 146 -0.535 10.884 5.853 1.00 0.00 H new ATOM 2279 N GLN A 147 1.940 6.883 10.516 1.00 0.00 N ATOM 2280 CA GLN A 147 1.703 8.043 11.367 1.00 0.00 C ATOM 2281 C GLN A 147 2.956 8.401 12.160 1.00 0.00 C ATOM 2282 O GLN A 147 3.390 9.552 12.167 1.00 0.00 O ATOM 2283 CB GLN A 147 0.541 7.771 12.323 1.00 0.00 C ATOM 2284 CG GLN A 147 -0.795 7.584 11.620 1.00 0.00 C ATOM 2285 CD GLN A 147 -1.975 7.890 12.520 1.00 0.00 C ATOM 2286 OE1 GLN A 147 -2.558 8.971 12.454 1.00 0.00 O ATOM 2287 NE2 GLN A 147 -2.337 6.933 13.368 1.00 0.00 N ATOM 0 H GLN A 147 1.387 6.061 10.759 1.00 0.00 H new ATOM 0 HA GLN A 147 1.447 8.887 10.726 1.00 0.00 H new ATOM 0 HB2 GLN A 147 0.763 6.878 12.907 1.00 0.00 H new ATOM 0 HB3 GLN A 147 0.459 8.599 13.027 1.00 0.00 H new ATOM 0 HG2 GLN A 147 -0.834 8.231 10.744 1.00 0.00 H new ATOM 0 HG3 GLN A 147 -0.872 6.557 11.262 1.00 0.00 H new ATOM 0 HE21 GLN A 147 -1.826 6.051 13.390 1.00 0.00 H new ATOM 0 HE22 GLN A 147 -3.126 7.081 13.997 1.00 0.00 H new