USER MOD reduce.3.24.130724 H: found=0, std=0, add=978, rem=0, adj=26 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 Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 7:sc= 0.498 USER MOD Single : A 23 THR OG1 : rot 46:sc= 0.252 USER MOD Single : A 24 CYS SG : rot -170:sc= -1.87 USER MOD Single : A 28 GLN :FLIP amide:sc= -0.179 F(o=-0.83,f=-0.18) USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 GLN : amide:sc= -1.16 K(o=-1.2,f=-2.1) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 63 GLN : amide:sc= -0.327 K(o=-0.33,f=-0.95) USER MOD Single : A 65 GLN : amide:sc= -5.66! C(o=-5.7!,f=-5.9!) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 GLN :FLIP amide:sc=-0.000198 F(o=-0.83,f=-0.0002) USER MOD Single : A 74 GLN : amide:sc= -0.057 X(o=-0.057,f=-0.12) USER MOD Single : A 83 THR OG1 : rot 180:sc= -0.0239 USER MOD Single : A 84 HIS : no HD1:sc= -0.0135 K(o=-0.014,f=-1.2) USER MOD Single : A 87 HIS : no HD1:sc= -1.74! C(o=-1.7!,f=-3.5!) USER MOD Single : A 93 HIS : no HD1:sc= -0.516 X(o=-0.52,f=-0.043) 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 :FLIP no HD1:sc= 0.131 F(o=-1.3,f=0.13) 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= -0.0801 X(o=-0.08,f=-0.08) USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD Single : A 116 THR OG1 : rot -15:sc= 0.0336 USER MOD Single : A 117 THR OG1 : rot 81:sc= 0.903 USER MOD Single : A 126 THR OG1 : rot 180:sc= 0.231 USER MOD Single : A 127 GLN : amide:sc= 0 K(o=0,f=-0.54) USER MOD Single : A 131 HIS : no HE2:sc= -2.17 K(o=-2.2,f=-3.3!) USER MOD Single : A 132 THR OG1 : rot 180:sc= -0.0932 USER MOD Single : A 136 SER OG : rot 180:sc= 0 USER MOD Single : A 137 THR OG1 : rot 180:sc= 0 USER MOD Single : A 139 MET CE :methyl -178:sc= -2.06 (180deg=-2.09) USER MOD Single : A 140 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 141 LYS NZ :NH3+ -141:sc= 0 (180deg=-1.3) USER MOD Single : A 146 TYR OH : rot -176:sc= 0.0851 USER MOD Single : A 147 GLN : amide:sc= -4.49! C(o=-4.5!,f=-4.1!) USER MOD ----------------------------------------------------------------- ATOM 207 N PRO A 16 2.763 -19.526 -1.497 1.00 0.00 N ATOM 208 CA PRO A 16 2.249 -18.434 -0.664 1.00 0.00 C ATOM 209 C PRO A 16 3.235 -18.022 0.423 1.00 0.00 C ATOM 210 O PRO A 16 3.439 -16.832 0.670 1.00 0.00 O ATOM 211 CB PRO A 16 0.984 -19.030 -0.040 1.00 0.00 C ATOM 212 CG PRO A 16 1.216 -20.501 -0.043 1.00 0.00 C ATOM 213 CD PRO A 16 2.039 -20.787 -1.269 1.00 0.00 C ATOM 0 HA PRO A 16 2.069 -17.528 -1.243 1.00 0.00 H new ATOM 0 HB2 PRO A 16 0.828 -18.656 0.972 1.00 0.00 H new ATOM 0 HB3 PRO A 16 0.097 -18.768 -0.617 1.00 0.00 H new ATOM 0 HG2 PRO A 16 1.739 -20.816 0.860 1.00 0.00 H new ATOM 0 HG3 PRO A 16 0.272 -21.045 -0.071 1.00 0.00 H new ATOM 0 HD2 PRO A 16 2.724 -21.620 -1.108 1.00 0.00 H new ATOM 0 HD3 PRO A 16 1.412 -21.050 -2.121 1.00 0.00 H new ATOM 221 N ARG A 17 3.844 -19.010 1.070 1.00 0.00 N ATOM 222 CA ARG A 17 4.808 -18.748 2.131 1.00 0.00 C ATOM 223 C ARG A 17 5.607 -17.482 1.841 1.00 0.00 C ATOM 224 O ARG A 17 5.467 -16.475 2.535 1.00 0.00 O ATOM 225 CB ARG A 17 5.757 -19.937 2.291 1.00 0.00 C ATOM 226 CG ARG A 17 5.198 -21.050 3.162 1.00 0.00 C ATOM 227 CD ARG A 17 5.558 -20.847 4.626 1.00 0.00 C ATOM 228 NE ARG A 17 5.340 -22.055 5.416 1.00 0.00 N ATOM 229 CZ ARG A 17 6.223 -23.043 5.507 1.00 0.00 C ATOM 230 NH1 ARG A 17 7.377 -22.966 4.860 1.00 0.00 N ATOM 231 NH2 ARG A 17 5.952 -24.111 6.246 1.00 0.00 N ATOM 0 H ARG A 17 3.687 -19.999 0.878 1.00 0.00 H new ATOM 0 HA ARG A 17 4.257 -18.603 3.060 1.00 0.00 H new ATOM 0 HB2 ARG A 17 5.989 -20.341 1.305 1.00 0.00 H new ATOM 0 HB3 ARG A 17 6.695 -19.587 2.721 1.00 0.00 H new ATOM 0 HG2 ARG A 17 4.114 -21.088 3.055 1.00 0.00 H new ATOM 0 HG3 ARG A 17 5.586 -22.010 2.821 1.00 0.00 H new ATOM 0 HD2 ARG A 17 6.603 -20.547 4.704 1.00 0.00 H new ATOM 0 HD3 ARG A 17 4.961 -20.033 5.037 1.00 0.00 H new ATOM 0 HE ARG A 17 4.461 -22.145 5.926 1.00 0.00 H new ATOM 0 HH11 ARG A 17 7.589 -22.147 4.291 1.00 0.00 H new ATOM 0 HH12 ARG A 17 8.053 -23.726 4.932 1.00 0.00 H new ATOM 0 HH21 ARG A 17 5.065 -24.174 6.745 1.00 0.00 H new ATOM 0 HH22 ARG A 17 6.631 -24.869 6.315 1.00 0.00 H new ATOM 245 N GLU A 18 6.445 -17.540 0.810 1.00 0.00 N ATOM 246 CA GLU A 18 7.267 -16.397 0.429 1.00 0.00 C ATOM 247 C GLU A 18 6.460 -15.397 -0.394 1.00 0.00 C ATOM 248 O GLU A 18 6.253 -15.587 -1.591 1.00 0.00 O ATOM 249 CB GLU A 18 8.487 -16.862 -0.367 1.00 0.00 C ATOM 250 CG GLU A 18 8.222 -18.082 -1.232 1.00 0.00 C ATOM 251 CD GLU A 18 9.319 -18.326 -2.250 1.00 0.00 C ATOM 252 OE1 GLU A 18 10.211 -17.461 -2.379 1.00 0.00 O ATOM 253 OE2 GLU A 18 9.286 -19.380 -2.918 1.00 0.00 O ATOM 0 H GLU A 18 6.572 -18.365 0.224 1.00 0.00 H new ATOM 0 HA GLU A 18 7.603 -15.903 1.341 1.00 0.00 H new ATOM 0 HB2 GLU A 18 8.829 -16.045 -1.002 1.00 0.00 H new ATOM 0 HB3 GLU A 18 9.298 -17.088 0.326 1.00 0.00 H new ATOM 0 HG2 GLU A 18 8.122 -18.960 -0.594 1.00 0.00 H new ATOM 0 HG3 GLU A 18 7.272 -17.955 -1.751 1.00 0.00 H new ATOM 260 N GLU A 19 6.006 -14.331 0.260 1.00 0.00 N ATOM 261 CA GLU A 19 5.220 -13.303 -0.411 1.00 0.00 C ATOM 262 C GLU A 19 5.560 -11.918 0.134 1.00 0.00 C ATOM 263 O GLU A 19 5.286 -11.611 1.294 1.00 0.00 O ATOM 264 CB GLU A 19 3.725 -13.577 -0.238 1.00 0.00 C ATOM 265 CG GLU A 19 3.180 -14.610 -1.211 1.00 0.00 C ATOM 266 CD GLU A 19 2.888 -14.025 -2.580 1.00 0.00 C ATOM 267 OE1 GLU A 19 1.947 -13.213 -2.689 1.00 0.00 O ATOM 268 OE2 GLU A 19 3.602 -14.381 -3.541 1.00 0.00 O ATOM 0 H GLU A 19 6.169 -14.158 1.252 1.00 0.00 H new ATOM 0 HA GLU A 19 5.466 -13.329 -1.473 1.00 0.00 H new ATOM 0 HB2 GLU A 19 3.542 -13.918 0.781 1.00 0.00 H new ATOM 0 HB3 GLU A 19 3.176 -12.644 -0.366 1.00 0.00 H new ATOM 0 HG2 GLU A 19 3.899 -15.423 -1.313 1.00 0.00 H new ATOM 0 HG3 GLU A 19 2.267 -15.042 -0.802 1.00 0.00 H new ATOM 275 N SER A 20 6.158 -11.086 -0.712 1.00 0.00 N ATOM 276 CA SER A 20 6.540 -9.735 -0.316 1.00 0.00 C ATOM 277 C SER A 20 5.952 -8.702 -1.273 1.00 0.00 C ATOM 278 O SER A 20 5.813 -8.956 -2.469 1.00 0.00 O ATOM 279 CB SER A 20 8.064 -9.604 -0.280 1.00 0.00 C ATOM 280 OG SER A 20 8.646 -10.632 0.504 1.00 0.00 O ATOM 0 H SER A 20 6.389 -11.323 -1.677 1.00 0.00 H new ATOM 0 HA SER A 20 6.142 -9.549 0.682 1.00 0.00 H new ATOM 0 HB2 SER A 20 8.460 -9.648 -1.295 1.00 0.00 H new ATOM 0 HB3 SER A 20 8.339 -8.631 0.128 1.00 0.00 H new ATOM 0 HG SER A 20 9.620 -10.527 0.510 1.00 0.00 H new ATOM 286 N SER A 21 5.608 -7.536 -0.736 1.00 0.00 N ATOM 287 CA SER A 21 5.032 -6.465 -1.539 1.00 0.00 C ATOM 288 C SER A 21 5.324 -5.102 -0.917 1.00 0.00 C ATOM 289 O SER A 21 5.583 -4.998 0.281 1.00 0.00 O ATOM 290 CB SER A 21 3.521 -6.660 -1.680 1.00 0.00 C ATOM 291 OG SER A 21 3.226 -7.781 -2.496 1.00 0.00 O ATOM 0 H SER A 21 5.718 -7.309 0.252 1.00 0.00 H new ATOM 0 HA SER A 21 5.490 -6.500 -2.528 1.00 0.00 H new ATOM 0 HB2 SER A 21 3.075 -6.796 -0.695 1.00 0.00 H new ATOM 0 HB3 SER A 21 3.074 -5.764 -2.111 1.00 0.00 H new ATOM 0 HG SER A 21 4.056 -8.256 -2.711 1.00 0.00 H new ATOM 297 N ALA A 22 5.278 -4.061 -1.742 1.00 0.00 N ATOM 298 CA ALA A 22 5.535 -2.704 -1.274 1.00 0.00 C ATOM 299 C ALA A 22 4.274 -1.850 -1.348 1.00 0.00 C ATOM 300 O ALA A 22 3.755 -1.583 -2.432 1.00 0.00 O ATOM 301 CB ALA A 22 6.654 -2.069 -2.087 1.00 0.00 C ATOM 0 H ALA A 22 5.065 -4.131 -2.737 1.00 0.00 H new ATOM 0 HA ALA A 22 5.845 -2.758 -0.230 1.00 0.00 H new ATOM 0 HB1 ALA A 22 6.836 -1.056 -1.727 1.00 0.00 H new ATOM 0 HB2 ALA A 22 7.563 -2.661 -1.979 1.00 0.00 H new ATOM 0 HB3 ALA A 22 6.366 -2.035 -3.138 1.00 0.00 H new ATOM 307 N THR A 23 3.785 -1.425 -0.187 1.00 0.00 N ATOM 308 CA THR A 23 2.584 -0.602 -0.120 1.00 0.00 C ATOM 309 C THR A 23 2.915 0.819 0.322 1.00 0.00 C ATOM 310 O THR A 23 3.818 1.033 1.130 1.00 0.00 O ATOM 311 CB THR A 23 1.547 -1.200 0.850 1.00 0.00 C ATOM 312 OG1 THR A 23 0.366 -0.391 0.864 1.00 0.00 O ATOM 313 CG2 THR A 23 2.117 -1.301 2.257 1.00 0.00 C ATOM 0 H THR A 23 4.202 -1.637 0.719 1.00 0.00 H new ATOM 0 HA THR A 23 2.161 -0.578 -1.124 1.00 0.00 H new ATOM 0 HB THR A 23 1.295 -2.203 0.505 1.00 0.00 H new ATOM 0 HG1 THR A 23 0.110 -0.170 -0.056 1.00 0.00 H new ATOM 0 HG21 THR A 23 1.367 -1.726 2.924 1.00 0.00 H new ATOM 0 HG22 THR A 23 2.999 -1.942 2.247 1.00 0.00 H new ATOM 0 HG23 THR A 23 2.395 -0.308 2.609 1.00 0.00 H new ATOM 321 N CYS A 24 2.178 1.786 -0.214 1.00 0.00 N ATOM 322 CA CYS A 24 2.393 3.188 0.126 1.00 0.00 C ATOM 323 C CYS A 24 1.079 3.864 0.504 1.00 0.00 C ATOM 324 O CYS A 24 0.001 3.401 0.131 1.00 0.00 O ATOM 325 CB CYS A 24 3.041 3.925 -1.047 1.00 0.00 C ATOM 326 SG CYS A 24 3.325 5.685 -0.749 1.00 0.00 S ATOM 0 H CYS A 24 1.427 1.625 -0.885 1.00 0.00 H new ATOM 0 HA CYS A 24 3.062 3.229 0.986 1.00 0.00 H new ATOM 0 HB2 CYS A 24 3.994 3.449 -1.279 1.00 0.00 H new ATOM 0 HB3 CYS A 24 2.407 3.814 -1.926 1.00 0.00 H new ATOM 0 HG CYS A 24 3.678 6.262 -1.859 1.00 0.00 H new ATOM 332 N VAL A 25 1.177 4.962 1.247 1.00 0.00 N ATOM 333 CA VAL A 25 -0.005 5.702 1.677 1.00 0.00 C ATOM 334 C VAL A 25 -0.126 7.024 0.929 1.00 0.00 C ATOM 335 O VAL A 25 0.781 7.856 0.964 1.00 0.00 O ATOM 336 CB VAL A 25 0.028 5.982 3.190 1.00 0.00 C ATOM 337 CG1 VAL A 25 -1.186 6.795 3.610 1.00 0.00 C ATOM 338 CG2 VAL A 25 0.103 4.679 3.972 1.00 0.00 C ATOM 0 H VAL A 25 2.062 5.359 1.564 1.00 0.00 H new ATOM 0 HA VAL A 25 -0.870 5.078 1.450 1.00 0.00 H new ATOM 0 HB VAL A 25 0.921 6.566 3.413 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -1.145 6.983 4.683 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -1.191 7.745 3.075 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -2.094 6.241 3.373 1.00 0.00 H new ATOM 0 HG21 VAL A 25 0.126 4.896 5.040 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -0.770 4.067 3.744 1.00 0.00 H new ATOM 0 HG23 VAL A 25 1.007 4.139 3.693 1.00 0.00 H new ATOM 348 N LEU A 26 -1.253 7.214 0.251 1.00 0.00 N ATOM 349 CA LEU A 26 -1.494 8.436 -0.507 1.00 0.00 C ATOM 350 C LEU A 26 -2.509 9.326 0.206 1.00 0.00 C ATOM 351 O LEU A 26 -3.667 8.947 0.377 1.00 0.00 O ATOM 352 CB LEU A 26 -1.994 8.098 -1.913 1.00 0.00 C ATOM 353 CG LEU A 26 -2.349 9.289 -2.803 1.00 0.00 C ATOM 354 CD1 LEU A 26 -1.105 10.105 -3.124 1.00 0.00 C ATOM 355 CD2 LEU A 26 -3.024 8.818 -4.082 1.00 0.00 C ATOM 0 H LEU A 26 -2.014 6.537 0.211 1.00 0.00 H new ATOM 0 HA LEU A 26 -0.552 8.979 -0.585 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -1.228 7.509 -2.417 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -2.875 7.463 -1.821 1.00 0.00 H new ATOM 0 HG LEU A 26 -3.048 9.927 -2.261 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -1.377 10.949 -3.758 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -0.663 10.474 -2.198 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -0.382 9.477 -3.645 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -3.269 9.680 -4.703 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -2.350 8.158 -4.628 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -3.938 8.278 -3.834 1.00 0.00 H new ATOM 367 N GLU A 27 -2.065 10.510 0.614 1.00 0.00 N ATOM 368 CA GLU A 27 -2.935 11.454 1.306 1.00 0.00 C ATOM 369 C GLU A 27 -2.939 12.808 0.600 1.00 0.00 C ATOM 370 O GLU A 27 -1.900 13.286 0.149 1.00 0.00 O ATOM 371 CB GLU A 27 -2.486 11.626 2.759 1.00 0.00 C ATOM 372 CG GLU A 27 -3.299 12.651 3.530 1.00 0.00 C ATOM 373 CD GLU A 27 -2.651 13.041 4.844 1.00 0.00 C ATOM 374 OE1 GLU A 27 -2.254 12.132 5.604 1.00 0.00 O ATOM 375 OE2 GLU A 27 -2.541 14.255 5.114 1.00 0.00 O ATOM 0 H GLU A 27 -1.109 10.839 0.478 1.00 0.00 H new ATOM 0 HA GLU A 27 -3.948 11.052 1.292 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -2.554 10.664 3.267 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -1.437 11.921 2.774 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -3.430 13.542 2.916 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -4.293 12.249 3.725 1.00 0.00 H new ATOM 382 N GLN A 28 -4.117 13.417 0.510 1.00 0.00 N ATOM 383 CA GLN A 28 -4.258 14.713 -0.142 1.00 0.00 C ATOM 384 C GLN A 28 -5.028 15.688 0.745 1.00 0.00 C ATOM 385 O GLN A 28 -6.166 15.438 1.142 1.00 0.00 O ATOM 386 CB GLN A 28 -4.970 14.557 -1.486 1.00 0.00 C ATOM 387 CG GLN A 28 -5.134 15.865 -2.243 1.00 0.00 C ATOM 388 CD GLN A 28 -6.342 15.862 -3.160 1.00 0.00 C ATOM 389 OE1 GLN A 28 -6.101 16.011 -4.457 1.00 0.00 O flip ATOM 390 NE2 GLN A 28 -7.479 15.727 -2.707 1.00 0.00 N flip ATOM 0 H GLN A 28 -4.987 13.034 0.880 1.00 0.00 H new ATOM 0 HA GLN A 28 -3.260 15.116 -0.313 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -4.410 13.856 -2.105 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -5.954 14.118 -1.318 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -5.226 16.684 -1.530 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -4.236 16.055 -2.832 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -7.618 15.615 -1.703 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -8.282 15.727 -3.336 1.00 0.00 H new ATOM 399 N PRO A 29 -4.393 16.825 1.065 1.00 0.00 N ATOM 400 CA PRO A 29 -5.000 17.859 1.907 1.00 0.00 C ATOM 401 C PRO A 29 -6.145 18.581 1.206 1.00 0.00 C ATOM 402 O PRO A 29 -5.988 19.081 0.093 1.00 0.00 O ATOM 403 CB PRO A 29 -3.842 18.825 2.171 1.00 0.00 C ATOM 404 CG PRO A 29 -2.920 18.637 1.016 1.00 0.00 C ATOM 405 CD PRO A 29 -3.035 17.189 0.627 1.00 0.00 C ATOM 0 HA PRO A 29 -5.440 17.440 2.812 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -4.193 19.855 2.234 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -3.345 18.599 3.115 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -3.196 19.287 0.186 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -1.895 18.888 1.290 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -2.908 17.050 -0.447 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -2.277 16.579 1.119 1.00 0.00 H new ATOM 413 N GLY A 30 -7.299 18.631 1.865 1.00 0.00 N ATOM 414 CA GLY A 30 -8.455 19.292 1.289 1.00 0.00 C ATOM 415 C GLY A 30 -8.984 20.406 2.170 1.00 0.00 C ATOM 416 O GLY A 30 -8.317 20.830 3.113 1.00 0.00 O ATOM 0 H GLY A 30 -7.454 18.225 2.788 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -8.188 19.700 0.314 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -9.244 18.558 1.123 1.00 0.00 H new ATOM 420 N ALA A 31 -10.185 20.883 1.861 1.00 0.00 N ATOM 421 CA ALA A 31 -10.803 21.955 2.632 1.00 0.00 C ATOM 422 C ALA A 31 -11.015 21.535 4.083 1.00 0.00 C ATOM 423 O ALA A 31 -10.739 22.301 5.008 1.00 0.00 O ATOM 424 CB ALA A 31 -12.125 22.365 2.001 1.00 0.00 C ATOM 0 H ALA A 31 -10.750 20.544 1.082 1.00 0.00 H new ATOM 0 HA ALA A 31 -10.128 22.811 2.623 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -12.575 23.166 2.587 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -11.950 22.714 0.984 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -12.799 21.509 1.979 1.00 0.00 H new ATOM 430 N LEU A 32 -11.507 20.316 4.276 1.00 0.00 N ATOM 431 CA LEU A 32 -11.757 19.796 5.616 1.00 0.00 C ATOM 432 C LEU A 32 -10.446 19.513 6.342 1.00 0.00 C ATOM 433 O LEU A 32 -10.302 19.818 7.526 1.00 0.00 O ATOM 434 CB LEU A 32 -12.596 18.519 5.538 1.00 0.00 C ATOM 435 CG LEU A 32 -13.920 18.632 4.781 1.00 0.00 C ATOM 436 CD1 LEU A 32 -14.561 17.262 4.621 1.00 0.00 C ATOM 437 CD2 LEU A 32 -14.866 19.584 5.496 1.00 0.00 C ATOM 0 H LEU A 32 -11.741 19.670 3.522 1.00 0.00 H new ATOM 0 HA LEU A 32 -12.306 20.552 6.178 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -11.995 17.742 5.066 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -12.808 18.185 6.554 1.00 0.00 H new ATOM 0 HG LEU A 32 -13.715 19.034 3.789 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -15.502 17.362 4.080 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -13.889 16.609 4.064 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -14.751 16.832 5.604 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -15.802 19.651 4.942 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -15.065 19.212 6.501 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -14.410 20.572 5.558 1.00 0.00 H new ATOM 449 N GLY A 33 -9.491 18.928 5.625 1.00 0.00 N ATOM 450 CA GLY A 33 -8.204 18.615 6.218 1.00 0.00 C ATOM 451 C GLY A 33 -7.311 17.826 5.282 1.00 0.00 C ATOM 452 O GLY A 33 -6.633 18.400 4.429 1.00 0.00 O ATOM 0 H GLY A 33 -9.586 18.665 4.644 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -7.702 19.541 6.499 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -8.359 18.045 7.134 1.00 0.00 H new ATOM 456 N ALA A 34 -7.308 16.507 5.441 1.00 0.00 N ATOM 457 CA ALA A 34 -6.491 15.638 4.603 1.00 0.00 C ATOM 458 C ALA A 34 -6.937 14.185 4.720 1.00 0.00 C ATOM 459 O ALA A 34 -6.907 13.604 5.805 1.00 0.00 O ATOM 460 CB ALA A 34 -5.022 15.774 4.975 1.00 0.00 C ATOM 0 H ALA A 34 -7.862 16.016 6.143 1.00 0.00 H new ATOM 0 HA ALA A 34 -6.621 15.948 3.566 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -4.424 15.119 4.341 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -4.705 16.807 4.832 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -4.884 15.493 6.019 1.00 0.00 H new ATOM 466 N GLN A 35 -7.349 13.605 3.598 1.00 0.00 N ATOM 467 CA GLN A 35 -7.803 12.218 3.577 1.00 0.00 C ATOM 468 C GLN A 35 -6.831 11.340 2.797 1.00 0.00 C ATOM 469 O GLN A 35 -5.991 11.840 2.048 1.00 0.00 O ATOM 470 CB GLN A 35 -9.201 12.127 2.962 1.00 0.00 C ATOM 471 CG GLN A 35 -9.306 12.776 1.592 1.00 0.00 C ATOM 472 CD GLN A 35 -10.738 12.885 1.108 1.00 0.00 C ATOM 473 OE1 GLN A 35 -11.213 13.974 0.779 1.00 0.00 O ATOM 474 NE2 GLN A 35 -11.436 11.757 1.060 1.00 0.00 N ATOM 0 H GLN A 35 -7.378 14.072 2.692 1.00 0.00 H new ATOM 0 HA GLN A 35 -7.843 11.858 4.605 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -9.486 11.078 2.881 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -9.916 12.600 3.635 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -8.862 13.771 1.630 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -8.727 12.196 0.874 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -11.003 10.877 1.342 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -12.405 11.770 0.741 1.00 0.00 H new ATOM 483 N ILE A 36 -6.952 10.029 2.976 1.00 0.00 N ATOM 484 CA ILE A 36 -6.085 9.081 2.287 1.00 0.00 C ATOM 485 C ILE A 36 -6.854 8.302 1.227 1.00 0.00 C ATOM 486 O ILE A 36 -8.067 8.461 1.082 1.00 0.00 O ATOM 487 CB ILE A 36 -5.442 8.087 3.273 1.00 0.00 C ATOM 488 CG1 ILE A 36 -6.493 7.545 4.242 1.00 0.00 C ATOM 489 CG2 ILE A 36 -4.306 8.755 4.034 1.00 0.00 C ATOM 490 CD1 ILE A 36 -6.176 6.162 4.768 1.00 0.00 C ATOM 0 H ILE A 36 -7.642 9.599 3.592 1.00 0.00 H new ATOM 0 HA ILE A 36 -5.299 9.664 1.807 1.00 0.00 H new ATOM 0 HB ILE A 36 -5.031 7.251 2.707 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -6.588 8.232 5.083 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -7.460 7.521 3.740 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -3.862 8.040 4.727 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -3.548 9.097 3.330 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -4.694 9.608 4.592 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -6.965 5.842 5.449 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -6.110 5.462 3.935 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -5.225 6.184 5.299 1.00 0.00 H new ATOM 502 N LEU A 37 -6.143 7.458 0.487 1.00 0.00 N ATOM 503 CA LEU A 37 -6.760 6.651 -0.559 1.00 0.00 C ATOM 504 C LEU A 37 -6.802 5.179 -0.160 1.00 0.00 C ATOM 505 O LEU A 37 -5.875 4.670 0.471 1.00 0.00 O ATOM 506 CB LEU A 37 -5.992 6.811 -1.873 1.00 0.00 C ATOM 507 CG LEU A 37 -6.262 5.752 -2.942 1.00 0.00 C ATOM 508 CD1 LEU A 37 -7.590 6.020 -3.635 1.00 0.00 C ATOM 509 CD2 LEU A 37 -5.127 5.716 -3.956 1.00 0.00 C ATOM 0 H LEU A 37 -5.139 7.315 0.592 1.00 0.00 H new ATOM 0 HA LEU A 37 -7.783 7.001 -0.696 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -6.228 7.789 -2.292 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -4.925 6.809 -1.650 1.00 0.00 H new ATOM 0 HG LEU A 37 -6.319 4.778 -2.456 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -7.766 5.256 -4.393 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -8.395 5.995 -2.901 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -7.562 7.001 -4.109 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -5.336 4.957 -4.709 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -5.038 6.690 -4.437 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -4.193 5.476 -3.448 1.00 0.00 H new ATOM 521 N LEU A 38 -7.883 4.503 -0.531 1.00 0.00 N ATOM 522 CA LEU A 38 -8.046 3.087 -0.213 1.00 0.00 C ATOM 523 C LEU A 38 -8.605 2.322 -1.408 1.00 0.00 C ATOM 524 O LEU A 38 -9.610 2.718 -1.998 1.00 0.00 O ATOM 525 CB LEU A 38 -8.971 2.920 0.994 1.00 0.00 C ATOM 526 CG LEU A 38 -8.713 1.695 1.872 1.00 0.00 C ATOM 527 CD1 LEU A 38 -7.326 1.764 2.490 1.00 0.00 C ATOM 528 CD2 LEU A 38 -9.778 1.581 2.954 1.00 0.00 C ATOM 0 H LEU A 38 -8.660 4.911 -1.052 1.00 0.00 H new ATOM 0 HA LEU A 38 -7.065 2.678 0.029 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -8.889 3.812 1.616 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -9.999 2.875 0.635 1.00 0.00 H new ATOM 0 HG LEU A 38 -8.764 0.805 1.245 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -7.160 0.884 3.111 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -6.577 1.796 1.699 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -7.245 2.662 3.103 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -9.579 0.704 3.570 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -9.759 2.474 3.578 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -10.759 1.483 2.490 1.00 0.00 H new ATOM 540 N VAL A 39 -7.947 1.221 -1.758 1.00 0.00 N ATOM 541 CA VAL A 39 -8.380 0.397 -2.881 1.00 0.00 C ATOM 542 C VAL A 39 -8.839 -0.978 -2.408 1.00 0.00 C ATOM 543 O VAL A 39 -8.314 -1.517 -1.434 1.00 0.00 O ATOM 544 CB VAL A 39 -7.254 0.222 -3.916 1.00 0.00 C ATOM 545 CG1 VAL A 39 -6.773 1.577 -4.416 1.00 0.00 C ATOM 546 CG2 VAL A 39 -6.103 -0.575 -3.321 1.00 0.00 C ATOM 0 H VAL A 39 -7.113 0.879 -1.281 1.00 0.00 H new ATOM 0 HA VAL A 39 -9.216 0.915 -3.350 1.00 0.00 H new ATOM 0 HB VAL A 39 -7.649 -0.333 -4.767 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -5.977 1.434 -5.147 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -7.603 2.108 -4.883 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -6.394 2.161 -3.577 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -5.316 -0.689 -4.066 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -5.707 -0.049 -2.453 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -6.460 -1.559 -3.017 1.00 0.00 H new ATOM 556 N GLN A 40 -9.820 -1.541 -3.105 1.00 0.00 N ATOM 557 CA GLN A 40 -10.349 -2.854 -2.757 1.00 0.00 C ATOM 558 C GLN A 40 -9.821 -3.924 -3.706 1.00 0.00 C ATOM 559 O GLN A 40 -9.146 -3.616 -4.690 1.00 0.00 O ATOM 560 CB GLN A 40 -11.879 -2.837 -2.791 1.00 0.00 C ATOM 561 CG GLN A 40 -12.454 -2.703 -4.191 1.00 0.00 C ATOM 562 CD GLN A 40 -13.945 -2.425 -4.185 1.00 0.00 C ATOM 563 OE1 GLN A 40 -14.414 -1.477 -4.816 1.00 0.00 O ATOM 564 NE2 GLN A 40 -14.699 -3.252 -3.471 1.00 0.00 N ATOM 0 H GLN A 40 -10.265 -1.108 -3.914 1.00 0.00 H new ATOM 0 HA GLN A 40 -10.017 -3.094 -1.747 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -12.255 -3.755 -2.339 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -12.239 -2.010 -2.179 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -11.940 -1.897 -4.715 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -12.261 -3.620 -4.748 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -14.268 -4.025 -2.963 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -15.709 -3.115 -3.430 1.00 0.00 H new ATOM 573 N ARG A 41 -10.129 -5.181 -3.404 1.00 0.00 N ATOM 574 CA ARG A 41 -9.682 -6.297 -4.230 1.00 0.00 C ATOM 575 C ARG A 41 -10.846 -6.886 -5.022 1.00 0.00 C ATOM 576 O ARG A 41 -12.012 -6.750 -4.652 1.00 0.00 O ATOM 577 CB ARG A 41 -9.043 -7.379 -3.360 1.00 0.00 C ATOM 578 CG ARG A 41 -7.620 -7.059 -2.935 1.00 0.00 C ATOM 579 CD ARG A 41 -6.643 -7.232 -4.088 1.00 0.00 C ATOM 580 NE ARG A 41 -5.255 -7.238 -3.634 1.00 0.00 N ATOM 581 CZ ARG A 41 -4.700 -8.254 -2.980 1.00 0.00 C ATOM 582 NH1 ARG A 41 -5.412 -9.338 -2.707 1.00 0.00 N ATOM 583 NH2 ARG A 41 -3.432 -8.184 -2.600 1.00 0.00 N ATOM 0 H ARG A 41 -10.686 -5.452 -2.594 1.00 0.00 H new ATOM 0 HA ARG A 41 -8.939 -5.922 -4.934 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -9.655 -7.525 -2.470 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -9.046 -8.322 -3.907 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -7.571 -6.035 -2.565 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -7.330 -7.710 -2.110 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -6.858 -8.165 -4.608 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -6.785 -6.426 -4.808 1.00 0.00 H new ATOM 0 HE ARG A 41 -4.680 -6.418 -3.829 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -6.388 -9.394 -2.999 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -4.984 -10.116 -2.205 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -2.882 -7.351 -2.809 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -3.006 -8.963 -2.098 1.00 0.00 H new ATOM 698 N LEU A 50 -12.221 -6.648 0.515 1.00 0.00 N ATOM 699 CA LEU A 50 -11.717 -5.789 1.581 1.00 0.00 C ATOM 700 C LEU A 50 -11.128 -4.502 1.011 1.00 0.00 C ATOM 701 O LEU A 50 -10.755 -4.444 -0.160 1.00 0.00 O ATOM 702 CB LEU A 50 -10.657 -6.529 2.399 1.00 0.00 C ATOM 703 CG LEU A 50 -11.184 -7.537 3.423 1.00 0.00 C ATOM 704 CD1 LEU A 50 -11.780 -6.818 4.622 1.00 0.00 C ATOM 705 CD2 LEU A 50 -12.212 -8.458 2.784 1.00 0.00 C ATOM 0 HA LEU A 50 -12.553 -5.528 2.230 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -9.995 -7.053 1.710 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -10.051 -5.791 2.924 1.00 0.00 H new ATOM 0 HG LEU A 50 -10.348 -8.145 3.770 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -12.149 -7.551 5.339 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -11.015 -6.202 5.094 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -12.604 -6.184 4.294 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -12.576 -9.168 3.527 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -13.047 -7.866 2.408 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -11.751 -9.001 1.959 1.00 0.00 H new ATOM 717 N TRP A 51 -11.048 -3.474 1.848 1.00 0.00 N ATOM 718 CA TRP A 51 -10.503 -2.188 1.429 1.00 0.00 C ATOM 719 C TRP A 51 -9.159 -1.922 2.098 1.00 0.00 C ATOM 720 O TRP A 51 -9.087 -1.745 3.314 1.00 0.00 O ATOM 721 CB TRP A 51 -11.484 -1.062 1.761 1.00 0.00 C ATOM 722 CG TRP A 51 -12.788 -1.176 1.029 1.00 0.00 C ATOM 723 CD1 TRP A 51 -13.884 -1.892 1.414 1.00 0.00 C ATOM 724 CD2 TRP A 51 -13.129 -0.555 -0.215 1.00 0.00 C ATOM 725 NE1 TRP A 51 -14.887 -1.754 0.486 1.00 0.00 N ATOM 726 CE2 TRP A 51 -14.449 -0.938 -0.524 1.00 0.00 C ATOM 727 CE3 TRP A 51 -12.449 0.289 -1.098 1.00 0.00 C ATOM 728 CZ2 TRP A 51 -15.098 -0.506 -1.677 1.00 0.00 C ATOM 729 CZ3 TRP A 51 -13.095 0.716 -2.242 1.00 0.00 C ATOM 730 CH2 TRP A 51 -14.409 0.319 -2.523 1.00 0.00 C ATOM 0 H TRP A 51 -11.354 -3.506 2.821 1.00 0.00 H new ATOM 0 HA TRP A 51 -10.350 -2.221 0.350 1.00 0.00 H new ATOM 0 HB2 TRP A 51 -11.676 -1.062 2.834 1.00 0.00 H new ATOM 0 HB3 TRP A 51 -11.022 -0.104 1.520 1.00 0.00 H new ATOM 0 HD1 TRP A 51 -13.953 -2.481 2.317 1.00 0.00 H new ATOM 0 HE1 TRP A 51 -15.808 -2.188 0.540 1.00 0.00 H new ATOM 0 HE3 TRP A 51 -11.437 0.602 -0.889 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 -16.110 -0.812 -1.896 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 -12.578 1.367 -2.932 1.00 0.00 H new ATOM 0 HH2 TRP A 51 -14.887 0.671 -3.425 1.00 0.00 H new ATOM 741 N GLU A 52 -8.098 -1.895 1.297 1.00 0.00 N ATOM 742 CA GLU A 52 -6.757 -1.651 1.815 1.00 0.00 C ATOM 743 C GLU A 52 -5.983 -0.711 0.896 1.00 0.00 C ATOM 744 O GLU A 52 -6.473 -0.313 -0.160 1.00 0.00 O ATOM 745 CB GLU A 52 -5.999 -2.970 1.970 1.00 0.00 C ATOM 746 CG GLU A 52 -5.869 -3.753 0.674 1.00 0.00 C ATOM 747 CD GLU A 52 -7.212 -4.187 0.119 1.00 0.00 C ATOM 748 OE1 GLU A 52 -8.125 -4.466 0.924 1.00 0.00 O ATOM 749 OE2 GLU A 52 -7.350 -4.249 -1.120 1.00 0.00 O ATOM 0 H GLU A 52 -8.141 -2.039 0.288 1.00 0.00 H new ATOM 0 HA GLU A 52 -6.852 -1.179 2.793 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -5.003 -2.763 2.361 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -6.509 -3.588 2.709 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -5.355 -3.140 -0.066 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -5.249 -4.633 0.846 1.00 0.00 H new ATOM 756 N PHE A 53 -4.769 -0.357 1.308 1.00 0.00 N ATOM 757 CA PHE A 53 -3.927 0.538 0.524 1.00 0.00 C ATOM 758 C PHE A 53 -3.328 -0.191 -0.676 1.00 0.00 C ATOM 759 O PHE A 53 -3.095 -1.399 -0.647 1.00 0.00 O ATOM 760 CB PHE A 53 -2.808 1.114 1.396 1.00 0.00 C ATOM 761 CG PHE A 53 -3.290 1.643 2.716 1.00 0.00 C ATOM 762 CD1 PHE A 53 -4.355 2.528 2.777 1.00 0.00 C ATOM 763 CD2 PHE A 53 -2.678 1.256 3.898 1.00 0.00 C ATOM 764 CE1 PHE A 53 -4.801 3.016 3.990 1.00 0.00 C ATOM 765 CE2 PHE A 53 -3.119 1.741 5.114 1.00 0.00 C ATOM 766 CZ PHE A 53 -4.182 2.623 5.161 1.00 0.00 C ATOM 0 H PHE A 53 -4.347 -0.677 2.180 1.00 0.00 H new ATOM 0 HA PHE A 53 -4.549 1.354 0.157 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -2.062 0.340 1.574 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -2.310 1.917 0.852 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -4.842 2.840 1.865 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -1.847 0.567 3.868 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -5.633 3.704 4.023 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -2.633 1.431 6.028 1.00 0.00 H new ATOM 0 HZ PHE A 53 -4.528 3.004 6.111 1.00 0.00 H new ATOM 776 N PRO A 54 -3.073 0.560 -1.756 1.00 0.00 N ATOM 777 CA PRO A 54 -2.498 0.009 -2.986 1.00 0.00 C ATOM 778 C PRO A 54 -1.041 -0.407 -2.810 1.00 0.00 C ATOM 779 O PRO A 54 -0.278 0.253 -2.104 1.00 0.00 O ATOM 780 CB PRO A 54 -2.606 1.168 -3.981 1.00 0.00 C ATOM 781 CG PRO A 54 -2.622 2.393 -3.133 1.00 0.00 C ATOM 782 CD PRO A 54 -3.324 2.008 -1.861 1.00 0.00 C ATOM 0 HA PRO A 54 -3.015 -0.895 -3.307 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -1.764 1.176 -4.673 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -3.512 1.091 -4.582 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -1.609 2.740 -2.930 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -3.143 3.208 -3.635 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -2.925 2.548 -1.003 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -4.390 2.228 -1.908 1.00 0.00 H new ATOM 790 N SER A 55 -0.661 -1.504 -3.457 1.00 0.00 N ATOM 791 CA SER A 55 0.704 -2.010 -3.368 1.00 0.00 C ATOM 792 C SER A 55 1.128 -2.662 -4.680 1.00 0.00 C ATOM 793 O SER A 55 0.289 -3.043 -5.497 1.00 0.00 O ATOM 794 CB SER A 55 0.824 -3.016 -2.223 1.00 0.00 C ATOM 795 OG SER A 55 0.048 -4.174 -2.478 1.00 0.00 O ATOM 0 H SER A 55 -1.279 -2.060 -4.049 1.00 0.00 H new ATOM 0 HA SER A 55 1.366 -1.167 -3.171 1.00 0.00 H new ATOM 0 HB2 SER A 55 1.869 -3.297 -2.089 1.00 0.00 H new ATOM 0 HB3 SER A 55 0.497 -2.553 -1.292 1.00 0.00 H new ATOM 0 HG SER A 55 0.143 -4.802 -1.732 1.00 0.00 H new ATOM 801 N VAL A 56 2.437 -2.787 -4.876 1.00 0.00 N ATOM 802 CA VAL A 56 2.974 -3.394 -6.089 1.00 0.00 C ATOM 803 C VAL A 56 3.892 -4.564 -5.757 1.00 0.00 C ATOM 804 O VAL A 56 4.107 -4.888 -4.588 1.00 0.00 O ATOM 805 CB VAL A 56 3.754 -2.367 -6.932 1.00 0.00 C ATOM 806 CG1 VAL A 56 2.913 -1.123 -7.172 1.00 0.00 C ATOM 807 CG2 VAL A 56 5.067 -2.009 -6.255 1.00 0.00 C ATOM 0 H VAL A 56 3.145 -2.476 -4.211 1.00 0.00 H new ATOM 0 HA VAL A 56 2.123 -3.756 -6.666 1.00 0.00 H new ATOM 0 HB VAL A 56 3.981 -2.815 -7.899 1.00 0.00 H new ATOM 0 HG11 VAL A 56 3.481 -0.409 -7.769 1.00 0.00 H new ATOM 0 HG12 VAL A 56 2.002 -1.397 -7.704 1.00 0.00 H new ATOM 0 HG13 VAL A 56 2.653 -0.670 -6.216 1.00 0.00 H new ATOM 0 HG21 VAL A 56 5.604 -1.283 -6.865 1.00 0.00 H new ATOM 0 HG22 VAL A 56 4.865 -1.580 -5.273 1.00 0.00 H new ATOM 0 HG23 VAL A 56 5.674 -2.907 -6.141 1.00 0.00 H new ATOM 817 N THR A 57 4.432 -5.197 -6.793 1.00 0.00 N ATOM 818 CA THR A 57 5.328 -6.334 -6.612 1.00 0.00 C ATOM 819 C THR A 57 6.612 -5.914 -5.908 1.00 0.00 C ATOM 820 O THR A 57 7.198 -4.880 -6.228 1.00 0.00 O ATOM 821 CB THR A 57 5.684 -6.988 -7.960 1.00 0.00 C ATOM 822 OG1 THR A 57 6.144 -5.992 -8.881 1.00 0.00 O ATOM 823 CG2 THR A 57 4.481 -7.711 -8.546 1.00 0.00 C ATOM 0 H THR A 57 4.265 -4.942 -7.766 1.00 0.00 H new ATOM 0 HA THR A 57 4.799 -7.059 -5.994 1.00 0.00 H new ATOM 0 HB THR A 57 6.476 -7.716 -7.787 1.00 0.00 H new ATOM 0 HG1 THR A 57 6.370 -6.416 -9.735 1.00 0.00 H new ATOM 0 HG21 THR A 57 4.757 -8.165 -9.498 1.00 0.00 H new ATOM 0 HG22 THR A 57 4.152 -8.488 -7.856 1.00 0.00 H new ATOM 0 HG23 THR A 57 3.671 -6.999 -8.705 1.00 0.00 H new ATOM 831 N TRP A 58 7.047 -6.723 -4.948 1.00 0.00 N ATOM 832 CA TRP A 58 8.265 -6.437 -4.199 1.00 0.00 C ATOM 833 C TRP A 58 9.458 -6.289 -5.136 1.00 0.00 C ATOM 834 O TRP A 58 9.368 -6.598 -6.323 1.00 0.00 O ATOM 835 CB TRP A 58 8.534 -7.545 -3.180 1.00 0.00 C ATOM 836 CG TRP A 58 9.777 -7.320 -2.373 1.00 0.00 C ATOM 837 CD1 TRP A 58 9.923 -6.475 -1.309 1.00 0.00 C ATOM 838 CD2 TRP A 58 11.049 -7.947 -2.566 1.00 0.00 C ATOM 839 NE1 TRP A 58 11.208 -6.539 -0.830 1.00 0.00 N ATOM 840 CE2 TRP A 58 11.920 -7.437 -1.583 1.00 0.00 C ATOM 841 CE3 TRP A 58 11.539 -8.893 -3.472 1.00 0.00 C ATOM 842 CZ2 TRP A 58 13.249 -7.839 -1.484 1.00 0.00 C ATOM 843 CZ3 TRP A 58 12.858 -9.291 -3.372 1.00 0.00 C ATOM 844 CH2 TRP A 58 13.700 -8.765 -2.383 1.00 0.00 C ATOM 0 H TRP A 58 6.574 -7.583 -4.670 1.00 0.00 H new ATOM 0 HA TRP A 58 8.124 -5.494 -3.670 1.00 0.00 H new ATOM 0 HB2 TRP A 58 7.681 -7.624 -2.506 1.00 0.00 H new ATOM 0 HB3 TRP A 58 8.616 -8.498 -3.703 1.00 0.00 H new ATOM 0 HD1 TRP A 58 9.142 -5.849 -0.904 1.00 0.00 H new ATOM 0 HE1 TRP A 58 11.574 -6.005 -0.042 1.00 0.00 H new ATOM 0 HE3 TRP A 58 10.897 -9.305 -4.237 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 13.901 -7.434 -0.724 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 13.247 -10.020 -4.068 1.00 0.00 H new ATOM 0 HH2 TRP A 58 14.726 -9.098 -2.330 1.00 0.00 H new ATOM 855 N GLU A 59 10.575 -5.812 -4.594 1.00 0.00 N ATOM 856 CA GLU A 59 11.786 -5.623 -5.384 1.00 0.00 C ATOM 857 C GLU A 59 13.031 -5.731 -4.507 1.00 0.00 C ATOM 858 O GLU A 59 13.095 -5.184 -3.406 1.00 0.00 O ATOM 859 CB GLU A 59 11.759 -4.263 -6.083 1.00 0.00 C ATOM 860 CG GLU A 59 10.848 -4.221 -7.299 1.00 0.00 C ATOM 861 CD GLU A 59 11.266 -5.206 -8.374 1.00 0.00 C ATOM 862 OE1 GLU A 59 10.935 -6.403 -8.243 1.00 0.00 O ATOM 863 OE2 GLU A 59 11.924 -4.779 -9.346 1.00 0.00 O ATOM 0 H GLU A 59 10.666 -5.550 -3.612 1.00 0.00 H new ATOM 0 HA GLU A 59 11.823 -6.410 -6.137 1.00 0.00 H new ATOM 0 HB2 GLU A 59 11.435 -3.504 -5.371 1.00 0.00 H new ATOM 0 HB3 GLU A 59 12.772 -4.001 -6.389 1.00 0.00 H new ATOM 0 HG2 GLU A 59 9.825 -4.438 -6.990 1.00 0.00 H new ATOM 0 HG3 GLU A 59 10.849 -3.213 -7.714 1.00 0.00 H new ATOM 870 N PRO A 60 14.043 -6.457 -5.004 1.00 0.00 N ATOM 871 CA PRO A 60 15.304 -6.655 -4.283 1.00 0.00 C ATOM 872 C PRO A 60 16.131 -5.377 -4.200 1.00 0.00 C ATOM 873 O PRO A 60 17.012 -5.251 -3.349 1.00 0.00 O ATOM 874 CB PRO A 60 16.032 -7.709 -5.123 1.00 0.00 C ATOM 875 CG PRO A 60 15.469 -7.554 -6.493 1.00 0.00 C ATOM 876 CD PRO A 60 14.036 -7.139 -6.310 1.00 0.00 C ATOM 0 HA PRO A 60 15.139 -6.955 -3.248 1.00 0.00 H new ATOM 0 HB2 PRO A 60 17.110 -7.545 -5.117 1.00 0.00 H new ATOM 0 HB3 PRO A 60 15.860 -8.713 -4.735 1.00 0.00 H new ATOM 0 HG2 PRO A 60 16.022 -6.805 -7.059 1.00 0.00 H new ATOM 0 HG3 PRO A 60 15.536 -8.489 -7.050 1.00 0.00 H new ATOM 0 HD2 PRO A 60 13.705 -6.475 -7.108 1.00 0.00 H new ATOM 0 HD3 PRO A 60 13.365 -7.998 -6.311 1.00 0.00 H new ATOM 884 N SER A 61 15.842 -4.430 -5.087 1.00 0.00 N ATOM 885 CA SER A 61 16.561 -3.163 -5.116 1.00 0.00 C ATOM 886 C SER A 61 15.794 -2.086 -4.355 1.00 0.00 C ATOM 887 O SER A 61 14.573 -2.156 -4.222 1.00 0.00 O ATOM 888 CB SER A 61 16.792 -2.716 -6.561 1.00 0.00 C ATOM 889 OG SER A 61 17.984 -1.957 -6.675 1.00 0.00 O ATOM 0 H SER A 61 15.114 -4.517 -5.796 1.00 0.00 H new ATOM 0 HA SER A 61 17.526 -3.310 -4.630 1.00 0.00 H new ATOM 0 HB2 SER A 61 16.850 -3.589 -7.211 1.00 0.00 H new ATOM 0 HB3 SER A 61 15.944 -2.121 -6.901 1.00 0.00 H new ATOM 0 HG SER A 61 18.110 -1.685 -7.608 1.00 0.00 H new ATOM 895 N GLU A 62 16.521 -1.091 -3.856 1.00 0.00 N ATOM 896 CA GLU A 62 15.910 0.001 -3.107 1.00 0.00 C ATOM 897 C GLU A 62 15.193 0.969 -4.044 1.00 0.00 C ATOM 898 O GLU A 62 14.231 1.629 -3.652 1.00 0.00 O ATOM 899 CB GLU A 62 16.970 0.750 -2.297 1.00 0.00 C ATOM 900 CG GLU A 62 16.466 2.046 -1.687 1.00 0.00 C ATOM 901 CD GLU A 62 17.580 2.877 -1.080 1.00 0.00 C ATOM 902 OE1 GLU A 62 18.486 3.294 -1.832 1.00 0.00 O ATOM 903 OE2 GLU A 62 17.546 3.111 0.146 1.00 0.00 O ATOM 0 H GLU A 62 17.533 -1.019 -3.957 1.00 0.00 H new ATOM 0 HA GLU A 62 15.177 -0.427 -2.424 1.00 0.00 H new ATOM 0 HB2 GLU A 62 17.333 0.100 -1.500 1.00 0.00 H new ATOM 0 HB3 GLU A 62 17.821 0.969 -2.942 1.00 0.00 H new ATOM 0 HG2 GLU A 62 15.958 2.631 -2.454 1.00 0.00 H new ATOM 0 HG3 GLU A 62 15.727 1.818 -0.918 1.00 0.00 H new ATOM 910 N GLN A 63 15.669 1.046 -5.282 1.00 0.00 N ATOM 911 CA GLN A 63 15.074 1.934 -6.274 1.00 0.00 C ATOM 912 C GLN A 63 13.902 1.256 -6.978 1.00 0.00 C ATOM 913 O GLN A 63 12.780 1.763 -6.967 1.00 0.00 O ATOM 914 CB GLN A 63 16.123 2.362 -7.302 1.00 0.00 C ATOM 915 CG GLN A 63 15.701 3.557 -8.140 1.00 0.00 C ATOM 916 CD GLN A 63 15.309 4.753 -7.295 1.00 0.00 C ATOM 917 OE1 GLN A 63 15.850 4.966 -6.210 1.00 0.00 O ATOM 918 NE2 GLN A 63 14.362 5.542 -7.789 1.00 0.00 N ATOM 0 H GLN A 63 16.464 0.505 -5.622 1.00 0.00 H new ATOM 0 HA GLN A 63 14.702 2.818 -5.756 1.00 0.00 H new ATOM 0 HB2 GLN A 63 17.051 2.602 -6.783 1.00 0.00 H new ATOM 0 HB3 GLN A 63 16.336 1.522 -7.963 1.00 0.00 H new ATOM 0 HG2 GLN A 63 16.519 3.838 -8.803 1.00 0.00 H new ATOM 0 HG3 GLN A 63 14.860 3.273 -8.773 1.00 0.00 H new ATOM 0 HE21 GLN A 63 13.940 5.328 -8.693 1.00 0.00 H new ATOM 0 HE22 GLN A 63 14.056 6.362 -7.265 1.00 0.00 H new ATOM 927 N LEU A 64 14.171 0.109 -7.592 1.00 0.00 N ATOM 928 CA LEU A 64 13.140 -0.639 -8.302 1.00 0.00 C ATOM 929 C LEU A 64 11.843 -0.674 -7.499 1.00 0.00 C ATOM 930 O LEU A 64 10.753 -0.564 -8.060 1.00 0.00 O ATOM 931 CB LEU A 64 13.618 -2.064 -8.584 1.00 0.00 C ATOM 932 CG LEU A 64 14.513 -2.242 -9.811 1.00 0.00 C ATOM 933 CD1 LEU A 64 15.659 -1.242 -9.785 1.00 0.00 C ATOM 934 CD2 LEU A 64 15.046 -3.665 -9.882 1.00 0.00 C ATOM 0 H LEU A 64 15.095 -0.323 -7.612 1.00 0.00 H new ATOM 0 HA LEU A 64 12.946 -0.134 -9.249 1.00 0.00 H new ATOM 0 HB2 LEU A 64 14.159 -2.424 -7.709 1.00 0.00 H new ATOM 0 HB3 LEU A 64 12.743 -2.703 -8.702 1.00 0.00 H new ATOM 0 HG LEU A 64 13.915 -2.055 -10.703 1.00 0.00 H new ATOM 0 HD11 LEU A 64 16.285 -1.383 -10.666 1.00 0.00 H new ATOM 0 HD12 LEU A 64 15.258 -0.229 -9.784 1.00 0.00 H new ATOM 0 HD13 LEU A 64 16.256 -1.396 -8.886 1.00 0.00 H new ATOM 0 HD21 LEU A 64 15.681 -3.772 -10.762 1.00 0.00 H new ATOM 0 HD22 LEU A 64 15.628 -3.881 -8.986 1.00 0.00 H new ATOM 0 HD23 LEU A 64 14.212 -4.363 -9.949 1.00 0.00 H new ATOM 946 N GLN A 65 11.971 -0.828 -6.186 1.00 0.00 N ATOM 947 CA GLN A 65 10.808 -0.877 -5.306 1.00 0.00 C ATOM 948 C GLN A 65 9.923 0.350 -5.505 1.00 0.00 C ATOM 949 O GLN A 65 8.715 0.229 -5.710 1.00 0.00 O ATOM 950 CB GLN A 65 11.251 -0.969 -3.845 1.00 0.00 C ATOM 951 CG GLN A 65 10.132 -1.357 -2.894 1.00 0.00 C ATOM 952 CD GLN A 65 9.580 -2.741 -3.175 1.00 0.00 C ATOM 953 OE1 GLN A 65 10.049 -3.734 -2.618 1.00 0.00 O ATOM 954 NE2 GLN A 65 8.578 -2.813 -4.043 1.00 0.00 N ATOM 0 H GLN A 65 12.867 -0.921 -5.707 1.00 0.00 H new ATOM 0 HA GLN A 65 10.229 -1.765 -5.559 1.00 0.00 H new ATOM 0 HB2 GLN A 65 12.056 -1.700 -3.763 1.00 0.00 H new ATOM 0 HB3 GLN A 65 11.661 -0.007 -3.537 1.00 0.00 H new ATOM 0 HG2 GLN A 65 10.502 -1.319 -1.869 1.00 0.00 H new ATOM 0 HG3 GLN A 65 9.326 -0.627 -2.970 1.00 0.00 H new ATOM 0 HE21 GLN A 65 8.221 -1.964 -4.481 1.00 0.00 H new ATOM 0 HE22 GLN A 65 8.166 -3.717 -4.272 1.00 0.00 H new ATOM 963 N ARG A 66 10.533 1.530 -5.444 1.00 0.00 N ATOM 964 CA ARG A 66 9.800 2.778 -5.615 1.00 0.00 C ATOM 965 C ARG A 66 9.340 2.944 -7.061 1.00 0.00 C ATOM 966 O ARG A 66 8.203 3.337 -7.320 1.00 0.00 O ATOM 967 CB ARG A 66 10.673 3.966 -5.207 1.00 0.00 C ATOM 968 CG ARG A 66 11.317 3.807 -3.839 1.00 0.00 C ATOM 969 CD ARG A 66 12.524 4.719 -3.683 1.00 0.00 C ATOM 970 NE ARG A 66 12.895 4.900 -2.282 1.00 0.00 N ATOM 971 CZ ARG A 66 14.057 5.412 -1.890 1.00 0.00 C ATOM 972 NH1 ARG A 66 14.955 5.791 -2.789 1.00 0.00 N ATOM 973 NH2 ARG A 66 14.321 5.545 -0.597 1.00 0.00 N ATOM 0 H ARG A 66 11.532 1.647 -5.277 1.00 0.00 H new ATOM 0 HA ARG A 66 8.920 2.745 -4.973 1.00 0.00 H new ATOM 0 HB2 ARG A 66 11.455 4.105 -5.953 1.00 0.00 H new ATOM 0 HB3 ARG A 66 10.065 4.871 -5.210 1.00 0.00 H new ATOM 0 HG2 ARG A 66 10.586 4.033 -3.063 1.00 0.00 H new ATOM 0 HG3 ARG A 66 11.622 2.770 -3.697 1.00 0.00 H new ATOM 0 HD2 ARG A 66 13.368 4.300 -4.230 1.00 0.00 H new ATOM 0 HD3 ARG A 66 12.305 5.689 -4.128 1.00 0.00 H new ATOM 0 HE ARG A 66 12.226 4.618 -1.566 1.00 0.00 H new ATOM 0 HH11 ARG A 66 14.755 5.690 -3.784 1.00 0.00 H new ATOM 0 HH12 ARG A 66 15.846 6.184 -2.486 1.00 0.00 H new ATOM 0 HH21 ARG A 66 13.632 5.254 0.097 1.00 0.00 H new ATOM 0 HH22 ARG A 66 15.213 5.938 -0.296 1.00 0.00 H new ATOM 987 N LYS A 67 10.232 2.642 -7.998 1.00 0.00 N ATOM 988 CA LYS A 67 9.919 2.757 -9.418 1.00 0.00 C ATOM 989 C LYS A 67 8.527 2.208 -9.714 1.00 0.00 C ATOM 990 O LYS A 67 7.721 2.860 -10.377 1.00 0.00 O ATOM 991 CB LYS A 67 10.962 2.009 -10.253 1.00 0.00 C ATOM 992 CG LYS A 67 12.151 2.868 -10.651 1.00 0.00 C ATOM 993 CD LYS A 67 12.771 2.389 -11.953 1.00 0.00 C ATOM 994 CE LYS A 67 14.193 2.907 -12.116 1.00 0.00 C ATOM 995 NZ LYS A 67 14.601 2.964 -13.546 1.00 0.00 N ATOM 0 H LYS A 67 11.178 2.316 -7.800 1.00 0.00 H new ATOM 0 HA LYS A 67 9.938 3.814 -9.685 1.00 0.00 H new ATOM 0 HB2 LYS A 67 11.319 1.148 -9.687 1.00 0.00 H new ATOM 0 HB3 LYS A 67 10.485 1.623 -11.154 1.00 0.00 H new ATOM 0 HG2 LYS A 67 11.833 3.905 -10.758 1.00 0.00 H new ATOM 0 HG3 LYS A 67 12.900 2.844 -9.859 1.00 0.00 H new ATOM 0 HD2 LYS A 67 12.774 1.299 -11.977 1.00 0.00 H new ATOM 0 HD3 LYS A 67 12.162 2.724 -12.792 1.00 0.00 H new ATOM 0 HE2 LYS A 67 14.270 3.901 -11.676 1.00 0.00 H new ATOM 0 HE3 LYS A 67 14.880 2.262 -11.568 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 15.575 3.322 -13.615 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 14.552 2.011 -13.959 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 13.961 3.599 -14.064 1.00 0.00 H new ATOM 1009 N ALA A 68 8.251 1.007 -9.218 1.00 0.00 N ATOM 1010 CA ALA A 68 6.955 0.373 -9.426 1.00 0.00 C ATOM 1011 C ALA A 68 5.923 0.894 -8.432 1.00 0.00 C ATOM 1012 O ALA A 68 4.844 1.342 -8.819 1.00 0.00 O ATOM 1013 CB ALA A 68 7.084 -1.139 -9.315 1.00 0.00 C ATOM 0 H ALA A 68 8.908 0.453 -8.669 1.00 0.00 H new ATOM 0 HA ALA A 68 6.611 0.624 -10.430 1.00 0.00 H new ATOM 0 HB1 ALA A 68 6.109 -1.600 -9.472 1.00 0.00 H new ATOM 0 HB2 ALA A 68 7.782 -1.501 -10.069 1.00 0.00 H new ATOM 0 HB3 ALA A 68 7.453 -1.401 -8.323 1.00 0.00 H new ATOM 1019 N LEU A 69 6.261 0.830 -7.149 1.00 0.00 N ATOM 1020 CA LEU A 69 5.362 1.294 -6.097 1.00 0.00 C ATOM 1021 C LEU A 69 4.551 2.498 -6.566 1.00 0.00 C ATOM 1022 O LEU A 69 3.388 2.661 -6.193 1.00 0.00 O ATOM 1023 CB LEU A 69 6.158 1.659 -4.843 1.00 0.00 C ATOM 1024 CG LEU A 69 5.364 2.303 -3.707 1.00 0.00 C ATOM 1025 CD1 LEU A 69 4.294 1.350 -3.196 1.00 0.00 C ATOM 1026 CD2 LEU A 69 6.292 2.722 -2.576 1.00 0.00 C ATOM 0 H LEU A 69 7.150 0.462 -6.812 1.00 0.00 H new ATOM 0 HA LEU A 69 4.672 0.484 -5.859 1.00 0.00 H new ATOM 0 HB2 LEU A 69 6.631 0.754 -4.461 1.00 0.00 H new ATOM 0 HB3 LEU A 69 6.959 2.340 -5.131 1.00 0.00 H new ATOM 0 HG LEU A 69 4.872 3.195 -4.095 1.00 0.00 H new ATOM 0 HD11 LEU A 69 3.739 1.826 -2.388 1.00 0.00 H new ATOM 0 HD12 LEU A 69 3.611 1.101 -4.008 1.00 0.00 H new ATOM 0 HD13 LEU A 69 4.765 0.439 -2.826 1.00 0.00 H new ATOM 0 HD21 LEU A 69 5.708 3.178 -1.777 1.00 0.00 H new ATOM 0 HD22 LEU A 69 6.814 1.846 -2.190 1.00 0.00 H new ATOM 0 HD23 LEU A 69 7.020 3.442 -2.950 1.00 0.00 H new ATOM 1038 N LEU A 70 5.171 3.339 -7.387 1.00 0.00 N ATOM 1039 CA LEU A 70 4.506 4.527 -7.910 1.00 0.00 C ATOM 1040 C LEU A 70 3.733 4.202 -9.184 1.00 0.00 C ATOM 1041 O LEU A 70 2.559 4.545 -9.313 1.00 0.00 O ATOM 1042 CB LEU A 70 5.531 5.628 -8.188 1.00 0.00 C ATOM 1043 CG LEU A 70 6.106 6.336 -6.960 1.00 0.00 C ATOM 1044 CD1 LEU A 70 7.254 7.250 -7.359 1.00 0.00 C ATOM 1045 CD2 LEU A 70 5.020 7.123 -6.241 1.00 0.00 C ATOM 0 H LEU A 70 6.133 3.220 -7.705 1.00 0.00 H new ATOM 0 HA LEU A 70 3.799 4.878 -7.158 1.00 0.00 H new ATOM 0 HB2 LEU A 70 6.357 5.194 -8.752 1.00 0.00 H new ATOM 0 HB3 LEU A 70 5.066 6.376 -8.829 1.00 0.00 H new ATOM 0 HG LEU A 70 6.492 5.580 -6.276 1.00 0.00 H new ATOM 0 HD11 LEU A 70 7.650 7.745 -6.472 1.00 0.00 H new ATOM 0 HD12 LEU A 70 8.042 6.661 -7.828 1.00 0.00 H new ATOM 0 HD13 LEU A 70 6.894 8.000 -8.063 1.00 0.00 H new ATOM 0 HD21 LEU A 70 5.447 7.620 -5.370 1.00 0.00 H new ATOM 0 HD22 LEU A 70 4.604 7.870 -6.917 1.00 0.00 H new ATOM 0 HD23 LEU A 70 4.230 6.444 -5.920 1.00 0.00 H new ATOM 1057 N GLN A 71 4.401 3.539 -10.122 1.00 0.00 N ATOM 1058 CA GLN A 71 3.776 3.167 -11.386 1.00 0.00 C ATOM 1059 C GLN A 71 2.349 2.679 -11.164 1.00 0.00 C ATOM 1060 O GLN A 71 1.469 2.907 -11.994 1.00 0.00 O ATOM 1061 CB GLN A 71 4.596 2.082 -12.085 1.00 0.00 C ATOM 1062 CG GLN A 71 4.126 0.669 -11.775 1.00 0.00 C ATOM 1063 CD GLN A 71 4.821 -0.376 -12.624 1.00 0.00 C ATOM 1064 OE1 GLN A 71 6.128 -0.224 -12.800 1.00 0.00 O flip ATOM 1065 NE2 GLN A 71 4.189 -1.311 -13.119 1.00 0.00 N flip ATOM 0 H GLN A 71 5.374 3.248 -10.031 1.00 0.00 H new ATOM 0 HA GLN A 71 3.743 4.052 -12.021 1.00 0.00 H new ATOM 0 HB2 GLN A 71 4.552 2.242 -13.162 1.00 0.00 H new ATOM 0 HB3 GLN A 71 5.641 2.181 -11.790 1.00 0.00 H new ATOM 0 HG2 GLN A 71 4.305 0.454 -10.722 1.00 0.00 H new ATOM 0 HG3 GLN A 71 3.050 0.605 -11.935 1.00 0.00 H new ATOM 0 HE21 GLN A 71 3.185 -1.390 -12.958 1.00 0.00 H new ATOM 0 HE22 GLN A 71 4.670 -2.006 -13.690 1.00 0.00 H new ATOM 1074 N GLU A 72 2.127 2.005 -10.039 1.00 0.00 N ATOM 1075 CA GLU A 72 0.805 1.484 -9.710 1.00 0.00 C ATOM 1076 C GLU A 72 -0.105 2.595 -9.195 1.00 0.00 C ATOM 1077 O GLU A 72 -1.177 2.843 -9.749 1.00 0.00 O ATOM 1078 CB GLU A 72 0.917 0.374 -8.663 1.00 0.00 C ATOM 1079 CG GLU A 72 -0.425 -0.098 -8.130 1.00 0.00 C ATOM 1080 CD GLU A 72 -1.010 -1.235 -8.946 1.00 0.00 C ATOM 1081 OE1 GLU A 72 -1.567 -0.963 -10.030 1.00 0.00 O ATOM 1082 OE2 GLU A 72 -0.909 -2.397 -8.500 1.00 0.00 O ATOM 0 H GLU A 72 2.844 1.807 -9.341 1.00 0.00 H new ATOM 0 HA GLU A 72 0.367 1.073 -10.620 1.00 0.00 H new ATOM 0 HB2 GLU A 72 1.443 -0.474 -9.100 1.00 0.00 H new ATOM 0 HB3 GLU A 72 1.524 0.731 -7.831 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -0.308 -0.421 -7.096 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -1.124 0.738 -8.125 1.00 0.00 H new ATOM 1089 N LEU A 73 0.328 3.260 -8.130 1.00 0.00 N ATOM 1090 CA LEU A 73 -0.447 4.344 -7.537 1.00 0.00 C ATOM 1091 C LEU A 73 -1.095 5.204 -8.618 1.00 0.00 C ATOM 1092 O LEU A 73 -2.291 5.488 -8.562 1.00 0.00 O ATOM 1093 CB LEU A 73 0.448 5.212 -6.649 1.00 0.00 C ATOM 1094 CG LEU A 73 0.682 4.697 -5.228 1.00 0.00 C ATOM 1095 CD1 LEU A 73 1.869 5.406 -4.594 1.00 0.00 C ATOM 1096 CD2 LEU A 73 -0.567 4.884 -4.380 1.00 0.00 C ATOM 0 H LEU A 73 1.212 3.068 -7.659 1.00 0.00 H new ATOM 0 HA LEU A 73 -1.235 3.902 -6.927 1.00 0.00 H new ATOM 0 HB2 LEU A 73 1.416 5.322 -7.139 1.00 0.00 H new ATOM 0 HB3 LEU A 73 0.008 6.207 -6.586 1.00 0.00 H new ATOM 0 HG LEU A 73 0.905 3.631 -5.280 1.00 0.00 H new ATOM 0 HD11 LEU A 73 2.021 5.028 -3.583 1.00 0.00 H new ATOM 0 HD12 LEU A 73 2.763 5.222 -5.189 1.00 0.00 H new ATOM 0 HD13 LEU A 73 1.674 6.478 -4.555 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -0.382 4.512 -3.372 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -0.821 5.943 -4.335 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -1.395 4.331 -4.824 1.00 0.00 H new ATOM 1108 N GLN A 74 -0.298 5.611 -9.600 1.00 0.00 N ATOM 1109 CA GLN A 74 -0.795 6.437 -10.694 1.00 0.00 C ATOM 1110 C GLN A 74 -2.037 5.814 -11.325 1.00 0.00 C ATOM 1111 O GLN A 74 -3.041 6.492 -11.541 1.00 0.00 O ATOM 1112 CB GLN A 74 0.291 6.623 -11.755 1.00 0.00 C ATOM 1113 CG GLN A 74 1.594 7.176 -11.201 1.00 0.00 C ATOM 1114 CD GLN A 74 2.754 7.015 -12.165 1.00 0.00 C ATOM 1115 OE1 GLN A 74 2.590 7.149 -13.378 1.00 0.00 O ATOM 1116 NE2 GLN A 74 3.933 6.726 -11.628 1.00 0.00 N ATOM 0 H GLN A 74 0.694 5.383 -9.661 1.00 0.00 H new ATOM 0 HA GLN A 74 -1.066 7.411 -10.287 1.00 0.00 H new ATOM 0 HB2 GLN A 74 0.488 5.664 -12.234 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -0.080 7.295 -12.529 1.00 0.00 H new ATOM 0 HG2 GLN A 74 1.465 8.233 -10.967 1.00 0.00 H new ATOM 0 HG3 GLN A 74 1.831 6.669 -10.266 1.00 0.00 H new ATOM 0 HE21 GLN A 74 4.022 6.624 -10.617 1.00 0.00 H new ATOM 0 HE22 GLN A 74 4.750 6.606 -12.226 1.00 0.00 H new ATOM 1125 N ARG A 75 -1.960 4.520 -11.618 1.00 0.00 N ATOM 1126 CA ARG A 75 -3.077 3.807 -12.225 1.00 0.00 C ATOM 1127 C ARG A 75 -4.373 4.081 -11.468 1.00 0.00 C ATOM 1128 O ARG A 75 -5.462 4.014 -12.038 1.00 0.00 O ATOM 1129 CB ARG A 75 -2.796 2.303 -12.250 1.00 0.00 C ATOM 1130 CG ARG A 75 -1.523 1.933 -12.993 1.00 0.00 C ATOM 1131 CD ARG A 75 -1.421 0.431 -13.208 1.00 0.00 C ATOM 1132 NE ARG A 75 -2.411 -0.053 -14.166 1.00 0.00 N ATOM 1133 CZ ARG A 75 -2.264 -1.168 -14.875 1.00 0.00 C ATOM 1134 NH1 ARG A 75 -1.173 -1.908 -14.734 1.00 0.00 N ATOM 1135 NH2 ARG A 75 -3.209 -1.543 -15.727 1.00 0.00 N ATOM 0 H ARG A 75 -1.136 3.944 -11.445 1.00 0.00 H new ATOM 0 HA ARG A 75 -3.192 4.165 -13.248 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -2.728 1.938 -11.225 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -3.639 1.792 -12.715 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -1.502 2.442 -13.957 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -0.657 2.281 -12.430 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -0.421 0.183 -13.564 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -1.557 -0.082 -12.256 1.00 0.00 H new ATOM 0 HE ARG A 75 -3.262 0.494 -14.298 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -0.444 -1.622 -14.080 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -1.063 -2.763 -15.279 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -4.049 -0.976 -15.839 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -3.095 -2.399 -16.271 1.00 0.00 H new ATOM 1149 N TRP A 76 -4.247 4.388 -10.182 1.00 0.00 N ATOM 1150 CA TRP A 76 -5.409 4.671 -9.347 1.00 0.00 C ATOM 1151 C TRP A 76 -5.744 6.159 -9.367 1.00 0.00 C ATOM 1152 O TRP A 76 -6.727 6.575 -9.978 1.00 0.00 O ATOM 1153 CB TRP A 76 -5.154 4.212 -7.910 1.00 0.00 C ATOM 1154 CG TRP A 76 -4.864 2.746 -7.798 1.00 0.00 C ATOM 1155 CD1 TRP A 76 -3.644 2.164 -7.605 1.00 0.00 C ATOM 1156 CD2 TRP A 76 -5.813 1.676 -7.873 1.00 0.00 C ATOM 1157 NE1 TRP A 76 -3.778 0.797 -7.557 1.00 0.00 N ATOM 1158 CE2 TRP A 76 -5.099 0.473 -7.718 1.00 0.00 C ATOM 1159 CE3 TRP A 76 -7.198 1.619 -8.056 1.00 0.00 C ATOM 1160 CZ2 TRP A 76 -5.722 -0.771 -7.739 1.00 0.00 C ATOM 1161 CZ3 TRP A 76 -7.816 0.383 -8.077 1.00 0.00 C ATOM 1162 CH2 TRP A 76 -7.078 -0.798 -7.920 1.00 0.00 C ATOM 0 H TRP A 76 -3.353 4.447 -9.695 1.00 0.00 H new ATOM 0 HA TRP A 76 -6.259 4.121 -9.751 1.00 0.00 H new ATOM 0 HB2 TRP A 76 -4.314 4.774 -7.500 1.00 0.00 H new ATOM 0 HB3 TRP A 76 -6.025 4.451 -7.300 1.00 0.00 H new ATOM 0 HD1 TRP A 76 -2.711 2.699 -7.505 1.00 0.00 H new ATOM 0 HE1 TRP A 76 -3.017 0.131 -7.423 1.00 0.00 H new ATOM 0 HE3 TRP A 76 -7.774 2.524 -8.179 1.00 0.00 H new ATOM 0 HZ2 TRP A 76 -5.156 -1.682 -7.617 1.00 0.00 H new ATOM 0 HZ3 TRP A 76 -8.885 0.326 -8.217 1.00 0.00 H new ATOM 0 HH2 TRP A 76 -7.590 -1.749 -7.942 1.00 0.00 H new ATOM 1173 N ALA A 77 -4.919 6.955 -8.695 1.00 0.00 N ATOM 1174 CA ALA A 77 -5.127 8.397 -8.637 1.00 0.00 C ATOM 1175 C ALA A 77 -4.645 9.073 -9.916 1.00 0.00 C ATOM 1176 O ALA A 77 -5.446 9.559 -10.714 1.00 0.00 O ATOM 1177 CB ALA A 77 -4.416 8.985 -7.427 1.00 0.00 C ATOM 0 H ALA A 77 -4.100 6.626 -8.183 1.00 0.00 H new ATOM 0 HA ALA A 77 -6.197 8.581 -8.541 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -4.580 10.062 -7.397 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -4.811 8.532 -6.517 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -3.347 8.783 -7.499 1.00 0.00 H new ATOM 1183 N GLY A 78 -3.329 9.100 -10.106 1.00 0.00 N ATOM 1184 CA GLY A 78 -2.762 9.719 -11.290 1.00 0.00 C ATOM 1185 C GLY A 78 -1.337 10.187 -11.074 1.00 0.00 C ATOM 1186 O GLY A 78 -0.398 9.392 -11.038 1.00 0.00 O ATOM 0 H GLY A 78 -2.645 8.704 -9.461 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -2.786 9.007 -12.115 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -3.379 10.568 -11.583 1.00 0.00 H new ATOM 1190 N PRO A 79 -1.160 11.509 -10.927 1.00 0.00 N ATOM 1191 CA PRO A 79 0.159 12.111 -10.711 1.00 0.00 C ATOM 1192 C PRO A 79 0.730 11.782 -9.337 1.00 0.00 C ATOM 1193 O PRO A 79 0.138 12.121 -8.310 1.00 0.00 O ATOM 1194 CB PRO A 79 -0.114 13.612 -10.832 1.00 0.00 C ATOM 1195 CG PRO A 79 -1.553 13.767 -10.476 1.00 0.00 C ATOM 1196 CD PRO A 79 -2.234 12.516 -10.958 1.00 0.00 C ATOM 0 HA PRO A 79 0.898 11.739 -11.420 1.00 0.00 H new ATOM 0 HB2 PRO A 79 0.524 14.186 -10.160 1.00 0.00 H new ATOM 0 HB3 PRO A 79 0.084 13.970 -11.842 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -1.678 13.890 -9.400 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -1.980 14.651 -10.950 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -3.066 12.237 -10.311 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -2.639 12.641 -11.962 1.00 0.00 H new ATOM 1204 N LEU A 80 1.882 11.122 -9.322 1.00 0.00 N ATOM 1205 CA LEU A 80 2.534 10.747 -8.072 1.00 0.00 C ATOM 1206 C LEU A 80 3.983 11.222 -8.050 1.00 0.00 C ATOM 1207 O LEU A 80 4.744 11.013 -8.994 1.00 0.00 O ATOM 1208 CB LEU A 80 2.479 9.230 -7.880 1.00 0.00 C ATOM 1209 CG LEU A 80 1.262 8.693 -7.125 1.00 0.00 C ATOM 1210 CD1 LEU A 80 1.251 9.210 -5.695 1.00 0.00 C ATOM 1211 CD2 LEU A 80 -0.023 9.078 -7.842 1.00 0.00 C ATOM 0 H LEU A 80 2.385 10.835 -10.162 1.00 0.00 H new ATOM 0 HA LEU A 80 2.000 11.230 -7.253 1.00 0.00 H new ATOM 0 HB2 LEU A 80 2.510 8.758 -8.862 1.00 0.00 H new ATOM 0 HB3 LEU A 80 3.378 8.918 -7.348 1.00 0.00 H new ATOM 0 HG LEU A 80 1.327 7.605 -7.097 1.00 0.00 H new ATOM 0 HD11 LEU A 80 0.378 8.818 -5.173 1.00 0.00 H new ATOM 0 HD12 LEU A 80 2.157 8.884 -5.183 1.00 0.00 H new ATOM 0 HD13 LEU A 80 1.210 10.299 -5.702 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -0.878 8.688 -7.291 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -0.095 10.164 -7.902 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -0.018 8.659 -8.848 1.00 0.00 H new ATOM 1223 N PRO A 81 4.375 11.875 -6.946 1.00 0.00 N ATOM 1224 CA PRO A 81 5.736 12.390 -6.772 1.00 0.00 C ATOM 1225 C PRO A 81 6.760 11.274 -6.595 1.00 0.00 C ATOM 1226 O PRO A 81 6.412 10.095 -6.593 1.00 0.00 O ATOM 1227 CB PRO A 81 5.638 13.233 -5.498 1.00 0.00 C ATOM 1228 CG PRO A 81 4.494 12.646 -4.744 1.00 0.00 C ATOM 1229 CD PRO A 81 3.520 12.160 -5.781 1.00 0.00 C ATOM 0 HA PRO A 81 6.074 12.950 -7.644 1.00 0.00 H new ATOM 0 HB2 PRO A 81 6.560 13.185 -4.919 1.00 0.00 H new ATOM 0 HB3 PRO A 81 5.462 14.283 -5.730 1.00 0.00 H new ATOM 0 HG2 PRO A 81 4.826 11.827 -4.106 1.00 0.00 H new ATOM 0 HG3 PRO A 81 4.033 13.389 -4.094 1.00 0.00 H new ATOM 0 HD2 PRO A 81 2.988 11.270 -5.446 1.00 0.00 H new ATOM 0 HD3 PRO A 81 2.767 12.914 -6.010 1.00 0.00 H new ATOM 1237 N ALA A 82 8.025 11.656 -6.447 1.00 0.00 N ATOM 1238 CA ALA A 82 9.100 10.688 -6.267 1.00 0.00 C ATOM 1239 C ALA A 82 9.896 10.981 -4.999 1.00 0.00 C ATOM 1240 O ALA A 82 9.955 10.158 -4.086 1.00 0.00 O ATOM 1241 CB ALA A 82 10.017 10.685 -7.481 1.00 0.00 C ATOM 0 H ALA A 82 8.330 12.629 -6.448 1.00 0.00 H new ATOM 0 HA ALA A 82 8.652 9.700 -6.163 1.00 0.00 H new ATOM 0 HB1 ALA A 82 10.815 9.957 -7.332 1.00 0.00 H new ATOM 0 HB2 ALA A 82 9.444 10.419 -8.369 1.00 0.00 H new ATOM 0 HB3 ALA A 82 10.450 11.677 -7.612 1.00 0.00 H new ATOM 1247 N THR A 83 10.509 12.160 -4.950 1.00 0.00 N ATOM 1248 CA THR A 83 11.303 12.561 -3.796 1.00 0.00 C ATOM 1249 C THR A 83 10.496 12.450 -2.508 1.00 0.00 C ATOM 1250 O THR A 83 10.954 11.866 -1.525 1.00 0.00 O ATOM 1251 CB THR A 83 11.818 14.005 -3.944 1.00 0.00 C ATOM 1252 OG1 THR A 83 10.724 14.892 -4.203 1.00 0.00 O ATOM 1253 CG2 THR A 83 12.836 14.103 -5.070 1.00 0.00 C ATOM 0 H THR A 83 10.470 12.854 -5.697 1.00 0.00 H new ATOM 0 HA THR A 83 12.155 11.883 -3.747 1.00 0.00 H new ATOM 0 HB THR A 83 12.303 14.292 -3.011 1.00 0.00 H new ATOM 0 HG1 THR A 83 11.060 15.808 -4.294 1.00 0.00 H new ATOM 0 HG21 THR A 83 13.186 15.132 -5.156 1.00 0.00 H new ATOM 0 HG22 THR A 83 13.681 13.449 -4.854 1.00 0.00 H new ATOM 0 HG23 THR A 83 12.372 13.798 -6.008 1.00 0.00 H new ATOM 1261 N HIS A 84 9.292 13.013 -2.519 1.00 0.00 N ATOM 1262 CA HIS A 84 8.421 12.976 -1.350 1.00 0.00 C ATOM 1263 C HIS A 84 8.358 11.570 -0.763 1.00 0.00 C ATOM 1264 O HIS A 84 8.499 11.384 0.446 1.00 0.00 O ATOM 1265 CB HIS A 84 7.014 13.449 -1.721 1.00 0.00 C ATOM 1266 CG HIS A 84 6.939 14.910 -2.042 1.00 0.00 C ATOM 1267 ND1 HIS A 84 6.197 15.412 -3.091 1.00 0.00 N ATOM 1268 CD2 HIS A 84 7.517 15.979 -1.446 1.00 0.00 C ATOM 1269 CE1 HIS A 84 6.324 16.727 -3.126 1.00 0.00 C ATOM 1270 NE2 HIS A 84 7.119 17.096 -2.138 1.00 0.00 N ATOM 0 H HIS A 84 8.898 13.500 -3.324 1.00 0.00 H new ATOM 0 HA HIS A 84 8.836 13.647 -0.598 1.00 0.00 H new ATOM 0 HB2 HIS A 84 6.662 12.878 -2.580 1.00 0.00 H new ATOM 0 HB3 HIS A 84 6.337 13.232 -0.895 1.00 0.00 H new ATOM 0 HD2 HIS A 84 8.170 15.957 -0.586 1.00 0.00 H new ATOM 0 HE1 HIS A 84 5.857 17.388 -3.841 1.00 0.00 H new ATOM 0 HE2 HIS A 84 7.393 18.055 -1.924 1.00 0.00 H new ATOM 1279 N LEU A 85 8.145 10.582 -1.625 1.00 0.00 N ATOM 1280 CA LEU A 85 8.065 9.192 -1.192 1.00 0.00 C ATOM 1281 C LEU A 85 9.176 8.865 -0.200 1.00 0.00 C ATOM 1282 O LEU A 85 10.336 9.215 -0.415 1.00 0.00 O ATOM 1283 CB LEU A 85 8.150 8.255 -2.399 1.00 0.00 C ATOM 1284 CG LEU A 85 7.965 6.767 -2.107 1.00 0.00 C ATOM 1285 CD1 LEU A 85 6.588 6.505 -1.519 1.00 0.00 C ATOM 1286 CD2 LEU A 85 8.173 5.945 -3.371 1.00 0.00 C ATOM 0 H LEU A 85 8.025 10.718 -2.629 1.00 0.00 H new ATOM 0 HA LEU A 85 7.106 9.047 -0.695 1.00 0.00 H new ATOM 0 HB2 LEU A 85 7.395 8.559 -3.124 1.00 0.00 H new ATOM 0 HB3 LEU A 85 9.121 8.394 -2.874 1.00 0.00 H new ATOM 0 HG LEU A 85 8.713 6.465 -1.374 1.00 0.00 H new ATOM 0 HD11 LEU A 85 6.475 5.440 -1.318 1.00 0.00 H new ATOM 0 HD12 LEU A 85 6.477 7.064 -0.590 1.00 0.00 H new ATOM 0 HD13 LEU A 85 5.823 6.824 -2.227 1.00 0.00 H new ATOM 0 HD21 LEU A 85 8.037 4.888 -3.144 1.00 0.00 H new ATOM 0 HD22 LEU A 85 7.449 6.250 -4.126 1.00 0.00 H new ATOM 0 HD23 LEU A 85 9.182 6.108 -3.749 1.00 0.00 H new ATOM 1298 N ARG A 86 8.812 8.190 0.886 1.00 0.00 N ATOM 1299 CA ARG A 86 9.779 7.815 1.911 1.00 0.00 C ATOM 1300 C ARG A 86 9.285 6.612 2.709 1.00 0.00 C ATOM 1301 O ARG A 86 8.131 6.568 3.136 1.00 0.00 O ATOM 1302 CB ARG A 86 10.039 8.992 2.853 1.00 0.00 C ATOM 1303 CG ARG A 86 11.176 9.894 2.399 1.00 0.00 C ATOM 1304 CD ARG A 86 11.381 11.057 3.358 1.00 0.00 C ATOM 1305 NE ARG A 86 12.184 12.121 2.764 1.00 0.00 N ATOM 1306 CZ ARG A 86 12.641 13.165 3.447 1.00 0.00 C ATOM 1307 NH1 ARG A 86 12.377 13.284 4.740 1.00 0.00 N ATOM 1308 NH2 ARG A 86 13.365 14.093 2.835 1.00 0.00 N ATOM 0 H ARG A 86 7.856 7.892 1.078 1.00 0.00 H new ATOM 0 HA ARG A 86 10.710 7.544 1.414 1.00 0.00 H new ATOM 0 HB2 ARG A 86 9.129 9.585 2.940 1.00 0.00 H new ATOM 0 HB3 ARG A 86 10.266 8.608 3.847 1.00 0.00 H new ATOM 0 HG2 ARG A 86 12.096 9.314 2.327 1.00 0.00 H new ATOM 0 HG3 ARG A 86 10.962 10.277 1.401 1.00 0.00 H new ATOM 0 HD2 ARG A 86 10.412 11.457 3.655 1.00 0.00 H new ATOM 0 HD3 ARG A 86 11.869 10.698 4.264 1.00 0.00 H new ATOM 0 HE ARG A 86 12.407 12.060 1.770 1.00 0.00 H new ATOM 0 HH11 ARG A 86 11.821 12.573 5.215 1.00 0.00 H new ATOM 0 HH12 ARG A 86 12.730 14.087 5.261 1.00 0.00 H new ATOM 0 HH21 ARG A 86 13.571 14.005 1.840 1.00 0.00 H new ATOM 0 HH22 ARG A 86 13.716 14.894 3.360 1.00 0.00 H new ATOM 1322 N HIS A 87 10.167 5.637 2.906 1.00 0.00 N ATOM 1323 CA HIS A 87 9.820 4.432 3.653 1.00 0.00 C ATOM 1324 C HIS A 87 9.721 4.728 5.146 1.00 0.00 C ATOM 1325 O HIS A 87 10.654 5.264 5.747 1.00 0.00 O ATOM 1326 CB HIS A 87 10.859 3.338 3.406 1.00 0.00 C ATOM 1327 CG HIS A 87 10.757 2.189 4.362 1.00 0.00 C ATOM 1328 ND1 HIS A 87 11.596 2.035 5.446 1.00 0.00 N ATOM 1329 CD2 HIS A 87 9.908 1.136 4.394 1.00 0.00 C ATOM 1330 CE1 HIS A 87 11.268 0.937 6.102 1.00 0.00 C ATOM 1331 NE2 HIS A 87 10.246 0.372 5.483 1.00 0.00 N ATOM 0 H HIS A 87 11.126 5.657 2.559 1.00 0.00 H new ATOM 0 HA HIS A 87 8.847 4.085 3.304 1.00 0.00 H new ATOM 0 HB2 HIS A 87 10.746 2.964 2.388 1.00 0.00 H new ATOM 0 HB3 HIS A 87 11.856 3.772 3.478 1.00 0.00 H new ATOM 0 HD2 HIS A 87 9.112 0.934 3.693 1.00 0.00 H new ATOM 0 HE1 HIS A 87 11.752 0.564 6.992 1.00 0.00 H new ATOM 0 HE2 HIS A 87 9.784 -0.491 5.768 1.00 0.00 H new ATOM 1340 N LEU A 88 8.586 4.379 5.739 1.00 0.00 N ATOM 1341 CA LEU A 88 8.365 4.608 7.163 1.00 0.00 C ATOM 1342 C LEU A 88 7.913 3.327 7.858 1.00 0.00 C ATOM 1343 O LEU A 88 6.728 2.999 7.868 1.00 0.00 O ATOM 1344 CB LEU A 88 7.320 5.706 7.366 1.00 0.00 C ATOM 1345 CG LEU A 88 7.509 6.975 6.534 1.00 0.00 C ATOM 1346 CD1 LEU A 88 6.304 7.893 6.678 1.00 0.00 C ATOM 1347 CD2 LEU A 88 8.784 7.696 6.942 1.00 0.00 C ATOM 0 H LEU A 88 7.804 3.936 5.257 1.00 0.00 H new ATOM 0 HA LEU A 88 9.309 4.926 7.605 1.00 0.00 H new ATOM 0 HB2 LEU A 88 6.338 5.291 7.141 1.00 0.00 H new ATOM 0 HB3 LEU A 88 7.314 5.984 8.420 1.00 0.00 H new ATOM 0 HG LEU A 88 7.598 6.689 5.486 1.00 0.00 H new ATOM 0 HD11 LEU A 88 6.457 8.791 6.079 1.00 0.00 H new ATOM 0 HD12 LEU A 88 5.409 7.375 6.334 1.00 0.00 H new ATOM 0 HD13 LEU A 88 6.182 8.172 7.725 1.00 0.00 H new ATOM 0 HD21 LEU A 88 8.902 8.596 6.339 1.00 0.00 H new ATOM 0 HD22 LEU A 88 8.726 7.970 7.996 1.00 0.00 H new ATOM 0 HD23 LEU A 88 9.640 7.039 6.784 1.00 0.00 H new ATOM 1359 N GLY A 89 8.868 2.606 8.439 1.00 0.00 N ATOM 1360 CA GLY A 89 8.549 1.371 9.130 1.00 0.00 C ATOM 1361 C GLY A 89 8.148 0.262 8.178 1.00 0.00 C ATOM 1362 O GLY A 89 8.210 0.429 6.960 1.00 0.00 O ATOM 0 H GLY A 89 9.857 2.856 8.443 1.00 0.00 H new ATOM 0 HA2 GLY A 89 9.413 1.051 9.713 1.00 0.00 H new ATOM 0 HA3 GLY A 89 7.738 1.552 9.835 1.00 0.00 H new ATOM 1366 N GLU A 90 7.739 -0.874 8.733 1.00 0.00 N ATOM 1367 CA GLU A 90 7.329 -2.015 7.924 1.00 0.00 C ATOM 1368 C GLU A 90 6.233 -2.814 8.624 1.00 0.00 C ATOM 1369 O GLU A 90 5.950 -2.599 9.802 1.00 0.00 O ATOM 1370 CB GLU A 90 8.529 -2.920 7.635 1.00 0.00 C ATOM 1371 CG GLU A 90 8.910 -3.816 8.801 1.00 0.00 C ATOM 1372 CD GLU A 90 10.394 -4.134 8.832 1.00 0.00 C ATOM 1373 OE1 GLU A 90 10.802 -5.115 8.177 1.00 0.00 O ATOM 1374 OE2 GLU A 90 11.143 -3.402 9.511 1.00 0.00 O ATOM 0 H GLU A 90 7.683 -1.029 9.740 1.00 0.00 H new ATOM 0 HA GLU A 90 6.932 -1.636 6.982 1.00 0.00 H new ATOM 0 HB2 GLU A 90 8.304 -3.542 6.768 1.00 0.00 H new ATOM 0 HB3 GLU A 90 9.385 -2.300 7.369 1.00 0.00 H new ATOM 0 HG2 GLU A 90 8.627 -3.331 9.735 1.00 0.00 H new ATOM 0 HG3 GLU A 90 8.344 -4.746 8.740 1.00 0.00 H new ATOM 1381 N VAL A 91 5.619 -3.736 7.889 1.00 0.00 N ATOM 1382 CA VAL A 91 4.555 -4.567 8.437 1.00 0.00 C ATOM 1383 C VAL A 91 4.708 -6.018 7.998 1.00 0.00 C ATOM 1384 O VAL A 91 4.444 -6.360 6.844 1.00 0.00 O ATOM 1385 CB VAL A 91 3.166 -4.056 8.008 1.00 0.00 C ATOM 1386 CG1 VAL A 91 2.082 -5.032 8.440 1.00 0.00 C ATOM 1387 CG2 VAL A 91 2.907 -2.671 8.582 1.00 0.00 C ATOM 0 H VAL A 91 5.841 -3.926 6.912 1.00 0.00 H new ATOM 0 HA VAL A 91 4.636 -4.509 9.522 1.00 0.00 H new ATOM 0 HB VAL A 91 3.144 -3.983 6.921 1.00 0.00 H new ATOM 0 HG11 VAL A 91 1.108 -4.655 8.129 1.00 0.00 H new ATOM 0 HG12 VAL A 91 2.260 -6.002 7.977 1.00 0.00 H new ATOM 0 HG13 VAL A 91 2.100 -5.139 9.525 1.00 0.00 H new ATOM 0 HG21 VAL A 91 1.922 -2.326 8.269 1.00 0.00 H new ATOM 0 HG22 VAL A 91 2.947 -2.715 9.670 1.00 0.00 H new ATOM 0 HG23 VAL A 91 3.666 -1.979 8.219 1.00 0.00 H new ATOM 1397 N VAL A 92 5.137 -6.870 8.923 1.00 0.00 N ATOM 1398 CA VAL A 92 5.325 -8.286 8.631 1.00 0.00 C ATOM 1399 C VAL A 92 4.427 -9.151 9.509 1.00 0.00 C ATOM 1400 O VAL A 92 4.710 -9.363 10.688 1.00 0.00 O ATOM 1401 CB VAL A 92 6.791 -8.713 8.839 1.00 0.00 C ATOM 1402 CG1 VAL A 92 6.922 -10.227 8.769 1.00 0.00 C ATOM 1403 CG2 VAL A 92 7.690 -8.043 7.810 1.00 0.00 C ATOM 0 H VAL A 92 5.361 -6.604 9.882 1.00 0.00 H new ATOM 0 HA VAL A 92 5.057 -8.432 7.585 1.00 0.00 H new ATOM 0 HB VAL A 92 7.109 -8.391 9.831 1.00 0.00 H new ATOM 0 HG11 VAL A 92 7.964 -10.509 8.918 1.00 0.00 H new ATOM 0 HG12 VAL A 92 6.308 -10.682 9.546 1.00 0.00 H new ATOM 0 HG13 VAL A 92 6.588 -10.576 7.792 1.00 0.00 H new ATOM 0 HG21 VAL A 92 8.722 -8.355 7.970 1.00 0.00 H new ATOM 0 HG22 VAL A 92 7.375 -8.333 6.808 1.00 0.00 H new ATOM 0 HG23 VAL A 92 7.618 -6.960 7.914 1.00 0.00 H new ATOM 1413 N HIS A 93 3.342 -9.651 8.924 1.00 0.00 N ATOM 1414 CA HIS A 93 2.402 -10.496 9.653 1.00 0.00 C ATOM 1415 C HIS A 93 2.664 -11.971 9.369 1.00 0.00 C ATOM 1416 O HIS A 93 2.439 -12.452 8.258 1.00 0.00 O ATOM 1417 CB HIS A 93 0.964 -10.140 9.272 1.00 0.00 C ATOM 1418 CG HIS A 93 -0.064 -10.966 9.980 1.00 0.00 C ATOM 1419 ND1 HIS A 93 -0.811 -10.494 11.039 1.00 0.00 N ATOM 1420 CD2 HIS A 93 -0.471 -12.241 9.775 1.00 0.00 C ATOM 1421 CE1 HIS A 93 -1.631 -11.442 11.455 1.00 0.00 C ATOM 1422 NE2 HIS A 93 -1.445 -12.513 10.705 1.00 0.00 N ATOM 0 H HIS A 93 3.093 -9.486 7.949 1.00 0.00 H new ATOM 0 HA HIS A 93 2.543 -10.319 10.719 1.00 0.00 H new ATOM 0 HB2 HIS A 93 0.788 -9.087 9.494 1.00 0.00 H new ATOM 0 HB3 HIS A 93 0.840 -10.264 8.196 1.00 0.00 H new ATOM 0 HD2 HIS A 93 -0.099 -12.918 9.021 1.00 0.00 H new ATOM 0 HE1 HIS A 93 -2.334 -11.356 12.270 1.00 0.00 H new ATOM 0 HE2 HIS A 93 -1.943 -13.398 10.801 1.00 0.00 H new ATOM 1431 N THR A 94 3.145 -12.687 10.381 1.00 0.00 N ATOM 1432 CA THR A 94 3.441 -14.107 10.240 1.00 0.00 C ATOM 1433 C THR A 94 2.183 -14.950 10.412 1.00 0.00 C ATOM 1434 O THR A 94 1.646 -15.064 11.514 1.00 0.00 O ATOM 1435 CB THR A 94 4.496 -14.565 11.265 1.00 0.00 C ATOM 1436 OG1 THR A 94 5.644 -13.713 11.199 1.00 0.00 O ATOM 1437 CG2 THR A 94 4.911 -16.006 11.005 1.00 0.00 C ATOM 0 H THR A 94 3.338 -12.306 11.307 1.00 0.00 H new ATOM 0 HA THR A 94 3.836 -14.249 9.234 1.00 0.00 H new ATOM 0 HB THR A 94 4.056 -14.504 12.260 1.00 0.00 H new ATOM 0 HG1 THR A 94 6.309 -14.009 11.855 1.00 0.00 H new ATOM 0 HG21 THR A 94 5.657 -16.308 11.740 1.00 0.00 H new ATOM 0 HG22 THR A 94 4.039 -16.656 11.084 1.00 0.00 H new ATOM 0 HG23 THR A 94 5.335 -16.088 10.004 1.00 0.00 H new ATOM 1445 N PHE A 95 1.717 -15.541 9.317 1.00 0.00 N ATOM 1446 CA PHE A 95 0.521 -16.375 9.347 1.00 0.00 C ATOM 1447 C PHE A 95 0.850 -17.781 9.838 1.00 0.00 C ATOM 1448 O PHE A 95 1.985 -18.067 10.221 1.00 0.00 O ATOM 1449 CB PHE A 95 -0.113 -16.444 7.956 1.00 0.00 C ATOM 1450 CG PHE A 95 -0.806 -15.175 7.549 1.00 0.00 C ATOM 1451 CD1 PHE A 95 -2.036 -14.837 8.091 1.00 0.00 C ATOM 1452 CD2 PHE A 95 -0.227 -14.319 6.626 1.00 0.00 C ATOM 1453 CE1 PHE A 95 -2.676 -13.671 7.718 1.00 0.00 C ATOM 1454 CE2 PHE A 95 -0.863 -13.151 6.249 1.00 0.00 C ATOM 1455 CZ PHE A 95 -2.088 -12.826 6.797 1.00 0.00 C ATOM 0 H PHE A 95 2.150 -15.458 8.397 1.00 0.00 H new ATOM 0 HA PHE A 95 -0.189 -15.924 10.041 1.00 0.00 H new ATOM 0 HB2 PHE A 95 0.660 -16.677 7.224 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -0.831 -17.264 7.933 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -2.499 -15.493 8.813 1.00 0.00 H new ATOM 0 HD2 PHE A 95 0.732 -14.567 6.196 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -3.635 -13.420 8.146 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -0.402 -12.493 5.527 1.00 0.00 H new ATOM 0 HZ PHE A 95 -2.586 -11.913 6.506 1.00 0.00 H new ATOM 1465 N SER A 96 -0.151 -18.655 9.827 1.00 0.00 N ATOM 1466 CA SER A 96 0.030 -20.031 10.274 1.00 0.00 C ATOM 1467 C SER A 96 1.179 -20.700 9.526 1.00 0.00 C ATOM 1468 O SER A 96 2.214 -21.020 10.112 1.00 0.00 O ATOM 1469 CB SER A 96 -1.259 -20.830 10.073 1.00 0.00 C ATOM 1470 OG SER A 96 -2.158 -20.628 11.149 1.00 0.00 O ATOM 0 H SER A 96 -1.096 -18.435 9.513 1.00 0.00 H new ATOM 0 HA SER A 96 0.274 -20.011 11.336 1.00 0.00 H new ATOM 0 HB2 SER A 96 -1.733 -20.532 9.138 1.00 0.00 H new ATOM 0 HB3 SER A 96 -1.023 -21.891 9.986 1.00 0.00 H new ATOM 0 HG SER A 96 -2.974 -21.148 10.995 1.00 0.00 H new ATOM 1476 N HIS A 97 0.989 -20.907 8.227 1.00 0.00 N ATOM 1477 CA HIS A 97 2.008 -21.538 7.396 1.00 0.00 C ATOM 1478 C HIS A 97 2.456 -20.600 6.279 1.00 0.00 C ATOM 1479 O HIS A 97 2.916 -21.046 5.228 1.00 0.00 O ATOM 1480 CB HIS A 97 1.476 -22.843 6.800 1.00 0.00 C ATOM 1481 CG HIS A 97 0.032 -22.776 6.409 1.00 0.00 C ATOM 1482 ND1 HIS A 97 -0.698 -21.764 5.886 1.00 0.00 N flip ATOM 1483 CD2 HIS A 97 -0.833 -23.841 6.544 1.00 0.00 C flip ATOM 1484 CE1 HIS A 97 -1.978 -22.232 5.714 1.00 0.00 C flip ATOM 1485 NE2 HIS A 97 -2.033 -23.488 6.119 1.00 0.00 N flip ATOM 0 H HIS A 97 0.139 -20.647 7.727 1.00 0.00 H new ATOM 0 HA HIS A 97 2.869 -21.760 8.027 1.00 0.00 H new ATOM 0 HB2 HIS A 97 2.070 -23.102 5.923 1.00 0.00 H new ATOM 0 HB3 HIS A 97 1.611 -23.646 7.525 1.00 0.00 H new ATOM 0 HD2 HIS A 97 -0.571 -24.812 6.936 1.00 0.00 H new ATOM 0 HE1 HIS A 97 -2.805 -21.665 5.313 1.00 0.00 H new ATOM 0 HE2 HIS A 97 -2.861 -24.084 6.106 1.00 0.00 H new ATOM 1494 N ILE A 98 2.316 -19.300 6.514 1.00 0.00 N ATOM 1495 CA ILE A 98 2.707 -18.300 5.528 1.00 0.00 C ATOM 1496 C ILE A 98 3.330 -17.080 6.200 1.00 0.00 C ATOM 1497 O ILE A 98 2.962 -16.716 7.316 1.00 0.00 O ATOM 1498 CB ILE A 98 1.504 -17.846 4.680 1.00 0.00 C ATOM 1499 CG1 ILE A 98 0.987 -19.006 3.827 1.00 0.00 C ATOM 1500 CG2 ILE A 98 1.890 -16.666 3.801 1.00 0.00 C ATOM 1501 CD1 ILE A 98 -0.462 -18.858 3.419 1.00 0.00 C ATOM 0 H ILE A 98 1.935 -18.914 7.378 1.00 0.00 H new ATOM 0 HA ILE A 98 3.444 -18.770 4.877 1.00 0.00 H new ATOM 0 HB ILE A 98 0.705 -17.528 5.350 1.00 0.00 H new ATOM 0 HG12 ILE A 98 1.602 -19.089 2.931 1.00 0.00 H new ATOM 0 HG13 ILE A 98 1.106 -19.936 4.383 1.00 0.00 H new ATOM 0 HG21 ILE A 98 1.029 -16.357 3.208 1.00 0.00 H new ATOM 0 HG22 ILE A 98 2.215 -15.836 4.428 1.00 0.00 H new ATOM 0 HG23 ILE A 98 2.703 -16.958 3.136 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -0.760 -19.716 2.817 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -1.087 -18.805 4.310 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -0.584 -17.945 2.836 1.00 0.00 H new ATOM 1513 N LYS A 99 4.274 -16.450 5.509 1.00 0.00 N ATOM 1514 CA LYS A 99 4.948 -15.269 6.035 1.00 0.00 C ATOM 1515 C LYS A 99 4.884 -14.116 5.038 1.00 0.00 C ATOM 1516 O LYS A 99 5.527 -14.155 3.987 1.00 0.00 O ATOM 1517 CB LYS A 99 6.408 -15.593 6.363 1.00 0.00 C ATOM 1518 CG LYS A 99 7.244 -14.367 6.687 1.00 0.00 C ATOM 1519 CD LYS A 99 8.473 -14.730 7.503 1.00 0.00 C ATOM 1520 CE LYS A 99 9.516 -13.623 7.464 1.00 0.00 C ATOM 1521 NZ LYS A 99 10.786 -14.034 8.122 1.00 0.00 N ATOM 0 H LYS A 99 4.590 -16.738 4.583 1.00 0.00 H new ATOM 0 HA LYS A 99 4.435 -14.966 6.948 1.00 0.00 H new ATOM 0 HB2 LYS A 99 6.438 -16.278 7.211 1.00 0.00 H new ATOM 0 HB3 LYS A 99 6.855 -16.114 5.516 1.00 0.00 H new ATOM 0 HG2 LYS A 99 7.551 -13.880 5.761 1.00 0.00 H new ATOM 0 HG3 LYS A 99 6.639 -13.648 7.239 1.00 0.00 H new ATOM 0 HD2 LYS A 99 8.182 -14.921 8.536 1.00 0.00 H new ATOM 0 HD3 LYS A 99 8.906 -15.653 7.119 1.00 0.00 H new ATOM 0 HE2 LYS A 99 9.716 -13.349 6.428 1.00 0.00 H new ATOM 0 HE3 LYS A 99 9.122 -12.735 7.958 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 11.470 -13.252 8.074 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 10.600 -14.271 9.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 11.176 -14.866 7.635 1.00 0.00 H new ATOM 1535 N LEU A 100 4.107 -13.093 5.372 1.00 0.00 N ATOM 1536 CA LEU A 100 3.960 -11.929 4.507 1.00 0.00 C ATOM 1537 C LEU A 100 4.867 -10.791 4.965 1.00 0.00 C ATOM 1538 O LEU A 100 5.017 -10.545 6.163 1.00 0.00 O ATOM 1539 CB LEU A 100 2.504 -11.460 4.490 1.00 0.00 C ATOM 1540 CG LEU A 100 1.611 -12.080 3.415 1.00 0.00 C ATOM 1541 CD1 LEU A 100 1.957 -11.518 2.045 1.00 0.00 C ATOM 1542 CD2 LEU A 100 1.744 -13.596 3.420 1.00 0.00 C ATOM 0 H LEU A 100 3.568 -13.046 6.237 1.00 0.00 H new ATOM 0 HA LEU A 100 4.253 -12.219 3.498 1.00 0.00 H new ATOM 0 HB2 LEU A 100 2.064 -11.670 5.465 1.00 0.00 H new ATOM 0 HB3 LEU A 100 2.494 -10.378 4.363 1.00 0.00 H new ATOM 0 HG LEU A 100 0.575 -11.825 3.639 1.00 0.00 H new ATOM 0 HD11 LEU A 100 1.311 -11.971 1.292 1.00 0.00 H new ATOM 0 HD12 LEU A 100 1.810 -10.438 2.047 1.00 0.00 H new ATOM 0 HD13 LEU A 100 2.998 -11.742 1.812 1.00 0.00 H new ATOM 0 HD21 LEU A 100 1.101 -14.020 2.649 1.00 0.00 H new ATOM 0 HD22 LEU A 100 2.780 -13.871 3.221 1.00 0.00 H new ATOM 0 HD23 LEU A 100 1.446 -13.984 4.394 1.00 0.00 H new ATOM 1554 N THR A 101 5.469 -10.097 4.005 1.00 0.00 N ATOM 1555 CA THR A 101 6.360 -8.984 4.310 1.00 0.00 C ATOM 1556 C THR A 101 5.976 -7.739 3.519 1.00 0.00 C ATOM 1557 O THR A 101 6.269 -7.635 2.326 1.00 0.00 O ATOM 1558 CB THR A 101 7.827 -9.341 4.006 1.00 0.00 C ATOM 1559 OG1 THR A 101 8.227 -10.475 4.781 1.00 0.00 O ATOM 1560 CG2 THR A 101 8.743 -8.164 4.308 1.00 0.00 C ATOM 0 H THR A 101 5.356 -10.286 3.009 1.00 0.00 H new ATOM 0 HA THR A 101 6.257 -8.779 5.376 1.00 0.00 H new ATOM 0 HB THR A 101 7.907 -9.581 2.946 1.00 0.00 H new ATOM 0 HG1 THR A 101 9.160 -10.696 4.580 1.00 0.00 H new ATOM 0 HG21 THR A 101 9.774 -8.439 4.086 1.00 0.00 H new ATOM 0 HG22 THR A 101 8.454 -7.311 3.693 1.00 0.00 H new ATOM 0 HG23 THR A 101 8.658 -7.897 5.361 1.00 0.00 H new ATOM 1568 N TYR A 102 5.321 -6.798 4.187 1.00 0.00 N ATOM 1569 CA TYR A 102 4.896 -5.559 3.545 1.00 0.00 C ATOM 1570 C TYR A 102 5.809 -4.402 3.934 1.00 0.00 C ATOM 1571 O TYR A 102 6.335 -4.360 5.046 1.00 0.00 O ATOM 1572 CB TYR A 102 3.449 -5.234 3.924 1.00 0.00 C ATOM 1573 CG TYR A 102 2.427 -6.061 3.179 1.00 0.00 C ATOM 1574 CD1 TYR A 102 2.102 -7.345 3.599 1.00 0.00 C ATOM 1575 CD2 TYR A 102 1.784 -5.557 2.054 1.00 0.00 C ATOM 1576 CE1 TYR A 102 1.168 -8.103 2.919 1.00 0.00 C ATOM 1577 CE2 TYR A 102 0.849 -6.309 1.369 1.00 0.00 C ATOM 1578 CZ TYR A 102 0.545 -7.580 1.806 1.00 0.00 C ATOM 1579 OH TYR A 102 -0.387 -8.333 1.128 1.00 0.00 O ATOM 0 H TYR A 102 5.072 -6.868 5.174 1.00 0.00 H new ATOM 0 HA TYR A 102 4.959 -5.699 2.466 1.00 0.00 H new ATOM 0 HB2 TYR A 102 3.319 -5.390 4.995 1.00 0.00 H new ATOM 0 HB3 TYR A 102 3.260 -4.178 3.731 1.00 0.00 H new ATOM 0 HD1 TYR A 102 2.587 -7.757 4.471 1.00 0.00 H new ATOM 0 HD2 TYR A 102 2.019 -4.561 1.710 1.00 0.00 H new ATOM 0 HE1 TYR A 102 0.927 -9.100 3.258 1.00 0.00 H new ATOM 0 HE2 TYR A 102 0.359 -5.903 0.496 1.00 0.00 H new ATOM 0 HH TYR A 102 -0.733 -7.819 0.369 1.00 0.00 H new ATOM 1589 N GLN A 103 5.990 -3.463 3.011 1.00 0.00 N ATOM 1590 CA GLN A 103 6.840 -2.304 3.259 1.00 0.00 C ATOM 1591 C GLN A 103 6.005 -1.034 3.382 1.00 0.00 C ATOM 1592 O GLN A 103 5.393 -0.583 2.414 1.00 0.00 O ATOM 1593 CB GLN A 103 7.864 -2.146 2.133 1.00 0.00 C ATOM 1594 CG GLN A 103 8.881 -3.276 2.075 1.00 0.00 C ATOM 1595 CD GLN A 103 9.825 -3.273 3.260 1.00 0.00 C ATOM 1596 OE1 GLN A 103 10.734 -2.446 3.343 1.00 0.00 O ATOM 1597 NE2 GLN A 103 9.614 -4.200 4.188 1.00 0.00 N ATOM 0 H GLN A 103 5.560 -3.482 2.086 1.00 0.00 H new ATOM 0 HA GLN A 103 7.366 -2.465 4.200 1.00 0.00 H new ATOM 0 HB2 GLN A 103 7.338 -2.091 1.180 1.00 0.00 H new ATOM 0 HB3 GLN A 103 8.390 -1.200 2.261 1.00 0.00 H new ATOM 0 HG2 GLN A 103 8.356 -4.230 2.036 1.00 0.00 H new ATOM 0 HG3 GLN A 103 9.459 -3.192 1.155 1.00 0.00 H new ATOM 0 HE21 GLN A 103 8.849 -4.866 4.079 1.00 0.00 H new ATOM 0 HE22 GLN A 103 10.217 -4.246 5.009 1.00 0.00 H new ATOM 1606 N VAL A 104 5.983 -0.460 4.581 1.00 0.00 N ATOM 1607 CA VAL A 104 5.224 0.760 4.832 1.00 0.00 C ATOM 1608 C VAL A 104 5.881 1.964 4.165 1.00 0.00 C ATOM 1609 O VAL A 104 7.054 2.252 4.400 1.00 0.00 O ATOM 1610 CB VAL A 104 5.086 1.035 6.342 1.00 0.00 C ATOM 1611 CG1 VAL A 104 4.267 2.293 6.582 1.00 0.00 C ATOM 1612 CG2 VAL A 104 4.463 -0.161 7.045 1.00 0.00 C ATOM 0 H VAL A 104 6.482 -0.820 5.394 1.00 0.00 H new ATOM 0 HA VAL A 104 4.232 0.609 4.406 1.00 0.00 H new ATOM 0 HB VAL A 104 6.081 1.194 6.759 1.00 0.00 H new ATOM 0 HG11 VAL A 104 4.180 2.472 7.654 1.00 0.00 H new ATOM 0 HG12 VAL A 104 4.760 3.144 6.111 1.00 0.00 H new ATOM 0 HG13 VAL A 104 3.273 2.167 6.153 1.00 0.00 H new ATOM 0 HG21 VAL A 104 4.373 0.050 8.111 1.00 0.00 H new ATOM 0 HG22 VAL A 104 3.474 -0.354 6.628 1.00 0.00 H new ATOM 0 HG23 VAL A 104 5.095 -1.037 6.901 1.00 0.00 H new ATOM 1622 N TYR A 105 5.116 2.661 3.333 1.00 0.00 N ATOM 1623 CA TYR A 105 5.624 3.833 2.630 1.00 0.00 C ATOM 1624 C TYR A 105 4.665 5.011 2.770 1.00 0.00 C ATOM 1625 O TYR A 105 3.448 4.849 2.684 1.00 0.00 O ATOM 1626 CB TYR A 105 5.842 3.512 1.151 1.00 0.00 C ATOM 1627 CG TYR A 105 7.182 2.874 0.861 1.00 0.00 C ATOM 1628 CD1 TYR A 105 8.314 3.652 0.653 1.00 0.00 C ATOM 1629 CD2 TYR A 105 7.316 1.492 0.795 1.00 0.00 C ATOM 1630 CE1 TYR A 105 9.540 3.073 0.386 1.00 0.00 C ATOM 1631 CE2 TYR A 105 8.538 0.904 0.532 1.00 0.00 C ATOM 1632 CZ TYR A 105 9.647 1.700 0.327 1.00 0.00 C ATOM 1633 OH TYR A 105 10.867 1.119 0.064 1.00 0.00 O ATOM 0 H TYR A 105 4.142 2.435 3.129 1.00 0.00 H new ATOM 0 HA TYR A 105 6.578 4.109 3.080 1.00 0.00 H new ATOM 0 HB2 TYR A 105 5.050 2.844 0.812 1.00 0.00 H new ATOM 0 HB3 TYR A 105 5.753 4.431 0.572 1.00 0.00 H new ATOM 0 HD1 TYR A 105 8.234 4.728 0.701 1.00 0.00 H new ATOM 0 HD2 TYR A 105 6.449 0.867 0.952 1.00 0.00 H new ATOM 0 HE1 TYR A 105 10.410 3.693 0.224 1.00 0.00 H new ATOM 0 HE2 TYR A 105 8.625 -0.172 0.487 1.00 0.00 H new ATOM 0 HH TYR A 105 10.770 0.144 0.058 1.00 0.00 H new ATOM 1643 N GLY A 106 5.223 6.199 2.986 1.00 0.00 N ATOM 1644 CA GLY A 106 4.404 7.388 3.134 1.00 0.00 C ATOM 1645 C GLY A 106 4.488 8.304 1.930 1.00 0.00 C ATOM 1646 O GLY A 106 5.553 8.455 1.329 1.00 0.00 O ATOM 0 H GLY A 106 6.228 6.359 3.061 1.00 0.00 H new ATOM 0 HA2 GLY A 106 3.366 7.093 3.291 1.00 0.00 H new ATOM 0 HA3 GLY A 106 4.718 7.933 4.024 1.00 0.00 H new ATOM 1650 N LEU A 107 3.364 8.917 1.576 1.00 0.00 N ATOM 1651 CA LEU A 107 3.316 9.823 0.432 1.00 0.00 C ATOM 1652 C LEU A 107 2.085 10.721 0.502 1.00 0.00 C ATOM 1653 O LEU A 107 0.958 10.239 0.617 1.00 0.00 O ATOM 1654 CB LEU A 107 3.308 9.027 -0.874 1.00 0.00 C ATOM 1655 CG LEU A 107 3.592 9.825 -2.148 1.00 0.00 C ATOM 1656 CD1 LEU A 107 2.520 10.882 -2.365 1.00 0.00 C ATOM 1657 CD2 LEU A 107 4.970 10.467 -2.078 1.00 0.00 C ATOM 0 H LEU A 107 2.475 8.804 2.063 1.00 0.00 H new ATOM 0 HA LEU A 107 4.205 10.453 0.460 1.00 0.00 H new ATOM 0 HB2 LEU A 107 4.048 8.231 -0.795 1.00 0.00 H new ATOM 0 HB3 LEU A 107 2.334 8.548 -0.978 1.00 0.00 H new ATOM 0 HG LEU A 107 3.575 9.140 -2.995 1.00 0.00 H new ATOM 0 HD11 LEU A 107 2.738 11.440 -3.276 1.00 0.00 H new ATOM 0 HD12 LEU A 107 1.547 10.400 -2.459 1.00 0.00 H new ATOM 0 HD13 LEU A 107 2.505 11.565 -1.516 1.00 0.00 H new ATOM 0 HD21 LEU A 107 5.156 11.031 -2.992 1.00 0.00 H new ATOM 0 HD22 LEU A 107 5.015 11.140 -1.222 1.00 0.00 H new ATOM 0 HD23 LEU A 107 5.728 9.691 -1.970 1.00 0.00 H new ATOM 1669 N ALA A 108 2.307 12.029 0.430 1.00 0.00 N ATOM 1670 CA ALA A 108 1.217 12.994 0.480 1.00 0.00 C ATOM 1671 C ALA A 108 1.507 14.199 -0.408 1.00 0.00 C ATOM 1672 O ALA A 108 2.662 14.480 -0.731 1.00 0.00 O ATOM 1673 CB ALA A 108 0.971 13.439 1.914 1.00 0.00 C ATOM 0 H ALA A 108 3.234 12.445 0.337 1.00 0.00 H new ATOM 0 HA ALA A 108 0.318 12.507 0.103 1.00 0.00 H new ATOM 0 HB1 ALA A 108 0.154 14.160 1.936 1.00 0.00 H new ATOM 0 HB2 ALA A 108 0.708 12.574 2.523 1.00 0.00 H new ATOM 0 HB3 ALA A 108 1.874 13.902 2.311 1.00 0.00 H new ATOM 1679 N LEU A 109 0.455 14.908 -0.800 1.00 0.00 N ATOM 1680 CA LEU A 109 0.598 16.083 -1.652 1.00 0.00 C ATOM 1681 C LEU A 109 0.618 17.360 -0.818 1.00 0.00 C ATOM 1682 O LEU A 109 -0.339 17.662 -0.104 1.00 0.00 O ATOM 1683 CB LEU A 109 -0.543 16.143 -2.669 1.00 0.00 C ATOM 1684 CG LEU A 109 -0.559 15.038 -3.726 1.00 0.00 C ATOM 1685 CD1 LEU A 109 -1.872 15.051 -4.493 1.00 0.00 C ATOM 1686 CD2 LEU A 109 0.618 15.194 -4.678 1.00 0.00 C ATOM 0 H LEU A 109 -0.507 14.690 -0.541 1.00 0.00 H new ATOM 0 HA LEU A 109 1.546 16.002 -2.184 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -1.488 16.113 -2.127 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -0.498 17.105 -3.179 1.00 0.00 H new ATOM 0 HG LEU A 109 -0.467 14.077 -3.220 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -1.865 14.258 -5.241 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -2.699 14.890 -3.801 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -1.995 16.015 -4.988 1.00 0.00 H new ATOM 0 HD21 LEU A 109 0.591 14.399 -5.423 1.00 0.00 H new ATOM 0 HD22 LEU A 109 0.557 16.161 -5.177 1.00 0.00 H new ATOM 0 HD23 LEU A 109 1.550 15.133 -4.117 1.00 0.00 H new ATOM 1698 N GLU A 110 1.714 18.107 -0.916 1.00 0.00 N ATOM 1699 CA GLU A 110 1.857 19.353 -0.171 1.00 0.00 C ATOM 1700 C GLU A 110 0.894 20.413 -0.696 1.00 0.00 C ATOM 1701 O GLU A 110 0.374 21.228 0.067 1.00 0.00 O ATOM 1702 CB GLU A 110 3.296 19.865 -0.263 1.00 0.00 C ATOM 1703 CG GLU A 110 3.614 20.554 -1.579 1.00 0.00 C ATOM 1704 CD GLU A 110 4.911 21.338 -1.528 1.00 0.00 C ATOM 1705 OE1 GLU A 110 4.910 22.450 -0.958 1.00 0.00 O ATOM 1706 OE2 GLU A 110 5.926 20.839 -2.058 1.00 0.00 O ATOM 0 H GLU A 110 2.514 17.871 -1.503 1.00 0.00 H new ATOM 0 HA GLU A 110 1.616 19.153 0.873 1.00 0.00 H new ATOM 0 HB2 GLU A 110 3.478 20.562 0.555 1.00 0.00 H new ATOM 0 HB3 GLU A 110 3.980 19.027 -0.127 1.00 0.00 H new ATOM 0 HG2 GLU A 110 3.676 19.807 -2.370 1.00 0.00 H new ATOM 0 HG3 GLU A 110 2.797 21.227 -1.839 1.00 0.00 H new ATOM 1751 N PRO A 114 -4.624 18.537 -7.873 1.00 0.00 N ATOM 1752 CA PRO A 114 -5.547 17.477 -7.460 1.00 0.00 C ATOM 1753 C PRO A 114 -5.580 16.317 -8.449 1.00 0.00 C ATOM 1754 O PRO A 114 -5.018 16.403 -9.541 1.00 0.00 O ATOM 1755 CB PRO A 114 -6.904 18.183 -7.419 1.00 0.00 C ATOM 1756 CG PRO A 114 -6.768 19.321 -8.372 1.00 0.00 C ATOM 1757 CD PRO A 114 -5.332 19.760 -8.288 1.00 0.00 C ATOM 0 HA PRO A 114 -5.254 17.031 -6.510 1.00 0.00 H new ATOM 0 HB2 PRO A 114 -7.709 17.511 -7.717 1.00 0.00 H new ATOM 0 HB3 PRO A 114 -7.137 18.534 -6.414 1.00 0.00 H new ATOM 0 HG2 PRO A 114 -7.024 19.014 -9.386 1.00 0.00 H new ATOM 0 HG3 PRO A 114 -7.442 20.136 -8.106 1.00 0.00 H new ATOM 0 HD2 PRO A 114 -4.968 20.129 -9.247 1.00 0.00 H new ATOM 0 HD3 PRO A 114 -5.200 20.565 -7.566 1.00 0.00 H new ATOM 1765 N VAL A 115 -6.242 15.232 -8.060 1.00 0.00 N ATOM 1766 CA VAL A 115 -6.349 14.055 -8.915 1.00 0.00 C ATOM 1767 C VAL A 115 -7.705 14.001 -9.610 1.00 0.00 C ATOM 1768 O VAL A 115 -7.800 13.643 -10.785 1.00 0.00 O ATOM 1769 CB VAL A 115 -6.145 12.757 -8.110 1.00 0.00 C ATOM 1770 CG1 VAL A 115 -7.140 12.680 -6.961 1.00 0.00 C ATOM 1771 CG2 VAL A 115 -6.271 11.543 -9.018 1.00 0.00 C ATOM 0 H VAL A 115 -6.712 15.143 -7.159 1.00 0.00 H new ATOM 0 HA VAL A 115 -5.563 14.137 -9.666 1.00 0.00 H new ATOM 0 HB VAL A 115 -5.140 12.764 -7.689 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -6.981 11.757 -6.403 1.00 0.00 H new ATOM 0 HG12 VAL A 115 -6.997 13.533 -6.298 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -8.155 12.694 -7.357 1.00 0.00 H new ATOM 0 HG21 VAL A 115 -6.124 10.635 -8.434 1.00 0.00 H new ATOM 0 HG22 VAL A 115 -7.263 11.528 -9.469 1.00 0.00 H new ATOM 0 HG23 VAL A 115 -5.516 11.596 -9.803 1.00 0.00 H new ATOM 1781 N THR A 116 -8.754 14.361 -8.877 1.00 0.00 N ATOM 1782 CA THR A 116 -10.105 14.354 -9.422 1.00 0.00 C ATOM 1783 C THR A 116 -10.287 13.222 -10.428 1.00 0.00 C ATOM 1784 O THR A 116 -11.010 13.365 -11.415 1.00 0.00 O ATOM 1785 CB THR A 116 -10.442 15.692 -10.106 1.00 0.00 C ATOM 1786 OG1 THR A 116 -9.717 15.812 -11.334 1.00 0.00 O ATOM 1787 CG2 THR A 116 -10.106 16.865 -9.197 1.00 0.00 C ATOM 0 H THR A 116 -8.693 14.661 -7.904 1.00 0.00 H new ATOM 0 HA THR A 116 -10.783 14.203 -8.582 1.00 0.00 H new ATOM 0 HB THR A 116 -11.512 15.708 -10.313 1.00 0.00 H new ATOM 0 HG1 THR A 116 -8.997 15.148 -11.355 1.00 0.00 H new ATOM 0 HG21 THR A 116 -10.353 17.799 -9.702 1.00 0.00 H new ATOM 0 HG22 THR A 116 -10.682 16.788 -8.275 1.00 0.00 H new ATOM 0 HG23 THR A 116 -9.042 16.850 -8.962 1.00 0.00 H new ATOM 1795 N THR A 117 -9.626 12.098 -10.172 1.00 0.00 N ATOM 1796 CA THR A 117 -9.714 10.943 -11.055 1.00 0.00 C ATOM 1797 C THR A 117 -9.407 9.652 -10.304 1.00 0.00 C ATOM 1798 O THR A 117 -8.396 9.550 -9.609 1.00 0.00 O ATOM 1799 CB THR A 117 -8.746 11.071 -12.247 1.00 0.00 C ATOM 1800 OG1 THR A 117 -8.888 12.358 -12.858 1.00 0.00 O ATOM 1801 CG2 THR A 117 -9.009 9.984 -13.278 1.00 0.00 C ATOM 0 H THR A 117 -9.024 11.963 -9.360 1.00 0.00 H new ATOM 0 HA THR A 117 -10.737 10.909 -11.429 1.00 0.00 H new ATOM 0 HB THR A 117 -7.729 10.957 -11.873 1.00 0.00 H new ATOM 0 HG1 THR A 117 -8.387 13.023 -12.341 1.00 0.00 H new ATOM 0 HG21 THR A 117 -8.313 10.095 -14.110 1.00 0.00 H new ATOM 0 HG22 THR A 117 -8.871 9.005 -12.818 1.00 0.00 H new ATOM 0 HG23 THR A 117 -10.031 10.071 -13.646 1.00 0.00 H new ATOM 1809 N VAL A 118 -10.287 8.665 -10.449 1.00 0.00 N ATOM 1810 CA VAL A 118 -10.110 7.380 -9.784 1.00 0.00 C ATOM 1811 C VAL A 118 -11.024 6.319 -10.387 1.00 0.00 C ATOM 1812 O VAL A 118 -12.197 6.564 -10.671 1.00 0.00 O ATOM 1813 CB VAL A 118 -10.389 7.485 -8.273 1.00 0.00 C ATOM 1814 CG1 VAL A 118 -11.815 7.952 -8.026 1.00 0.00 C ATOM 1815 CG2 VAL A 118 -10.130 6.151 -7.589 1.00 0.00 C ATOM 0 H VAL A 118 -11.129 8.732 -11.021 1.00 0.00 H new ATOM 0 HA VAL A 118 -9.071 7.087 -9.933 1.00 0.00 H new ATOM 0 HB VAL A 118 -9.710 8.223 -7.846 1.00 0.00 H new ATOM 0 HG11 VAL A 118 -11.995 8.021 -6.953 1.00 0.00 H new ATOM 0 HG12 VAL A 118 -11.961 8.931 -8.482 1.00 0.00 H new ATOM 0 HG13 VAL A 118 -12.513 7.239 -8.466 1.00 0.00 H new ATOM 0 HG21 VAL A 118 -10.332 6.244 -6.522 1.00 0.00 H new ATOM 0 HG22 VAL A 118 -10.782 5.390 -8.017 1.00 0.00 H new ATOM 0 HG23 VAL A 118 -9.089 5.862 -7.737 1.00 0.00 H new ATOM 1825 N PRO A 119 -10.477 5.111 -10.587 1.00 0.00 N ATOM 1826 CA PRO A 119 -11.227 3.988 -11.157 1.00 0.00 C ATOM 1827 C PRO A 119 -12.291 3.457 -10.202 1.00 0.00 C ATOM 1828 O PRO A 119 -12.282 3.741 -9.004 1.00 0.00 O ATOM 1829 CB PRO A 119 -10.149 2.928 -11.398 1.00 0.00 C ATOM 1830 CG PRO A 119 -9.074 3.251 -10.420 1.00 0.00 C ATOM 1831 CD PRO A 119 -9.086 4.748 -10.272 1.00 0.00 C ATOM 0 HA PRO A 119 -11.771 4.276 -12.057 1.00 0.00 H new ATOM 0 HB2 PRO A 119 -10.540 1.923 -11.239 1.00 0.00 H new ATOM 0 HB3 PRO A 119 -9.777 2.967 -12.422 1.00 0.00 H new ATOM 0 HG2 PRO A 119 -9.257 2.763 -9.463 1.00 0.00 H new ATOM 0 HG3 PRO A 119 -8.105 2.902 -10.776 1.00 0.00 H new ATOM 0 HD2 PRO A 119 -8.810 5.054 -9.263 1.00 0.00 H new ATOM 0 HD3 PRO A 119 -8.382 5.225 -10.954 1.00 0.00 H new ATOM 1839 N PRO A 120 -13.230 2.666 -10.742 1.00 0.00 N ATOM 1840 CA PRO A 120 -14.318 2.077 -9.954 1.00 0.00 C ATOM 1841 C PRO A 120 -13.823 1.001 -8.995 1.00 0.00 C ATOM 1842 O PRO A 120 -14.612 0.368 -8.294 1.00 0.00 O ATOM 1843 CB PRO A 120 -15.235 1.466 -11.016 1.00 0.00 C ATOM 1844 CG PRO A 120 -14.342 1.198 -12.178 1.00 0.00 C ATOM 1845 CD PRO A 120 -13.303 2.284 -12.162 1.00 0.00 C ATOM 0 HA PRO A 120 -14.809 2.817 -9.322 1.00 0.00 H new ATOM 0 HB2 PRO A 120 -15.702 0.549 -10.656 1.00 0.00 H new ATOM 0 HB3 PRO A 120 -16.040 2.150 -11.285 1.00 0.00 H new ATOM 0 HG2 PRO A 120 -13.879 0.214 -12.096 1.00 0.00 H new ATOM 0 HG3 PRO A 120 -14.903 1.209 -13.112 1.00 0.00 H new ATOM 0 HD2 PRO A 120 -12.342 1.926 -12.532 1.00 0.00 H new ATOM 0 HD3 PRO A 120 -13.593 3.126 -12.790 1.00 0.00 H new ATOM 1853 N GLY A 121 -12.508 0.797 -8.968 1.00 0.00 N ATOM 1854 CA GLY A 121 -11.931 -0.204 -8.091 1.00 0.00 C ATOM 1855 C GLY A 121 -11.189 0.410 -6.920 1.00 0.00 C ATOM 1856 O GLY A 121 -10.320 -0.226 -6.325 1.00 0.00 O ATOM 0 H GLY A 121 -11.834 1.307 -9.538 1.00 0.00 H new ATOM 0 HA2 GLY A 121 -12.722 -0.853 -7.716 1.00 0.00 H new ATOM 0 HA3 GLY A 121 -11.247 -0.832 -8.662 1.00 0.00 H new ATOM 1860 N ALA A 122 -11.532 1.651 -6.589 1.00 0.00 N ATOM 1861 CA ALA A 122 -10.893 2.350 -5.482 1.00 0.00 C ATOM 1862 C ALA A 122 -11.878 3.274 -4.774 1.00 0.00 C ATOM 1863 O ALA A 122 -13.008 3.456 -5.227 1.00 0.00 O ATOM 1864 CB ALA A 122 -9.691 3.138 -5.979 1.00 0.00 C ATOM 0 H ALA A 122 -12.249 2.192 -7.072 1.00 0.00 H new ATOM 0 HA ALA A 122 -10.553 1.605 -4.763 1.00 0.00 H new ATOM 0 HB1 ALA A 122 -9.223 3.655 -5.141 1.00 0.00 H new ATOM 0 HB2 ALA A 122 -8.971 2.456 -6.432 1.00 0.00 H new ATOM 0 HB3 ALA A 122 -10.016 3.868 -6.720 1.00 0.00 H new ATOM 1870 N ARG A 123 -11.442 3.855 -3.660 1.00 0.00 N ATOM 1871 CA ARG A 123 -12.287 4.759 -2.890 1.00 0.00 C ATOM 1872 C ARG A 123 -11.440 5.730 -2.072 1.00 0.00 C ATOM 1873 O ARG A 123 -10.422 5.347 -1.496 1.00 0.00 O ATOM 1874 CB ARG A 123 -13.209 3.964 -1.963 1.00 0.00 C ATOM 1875 CG ARG A 123 -12.499 3.379 -0.754 1.00 0.00 C ATOM 1876 CD ARG A 123 -13.480 2.722 0.204 1.00 0.00 C ATOM 1877 NE ARG A 123 -14.344 3.700 0.859 1.00 0.00 N ATOM 1878 CZ ARG A 123 -15.474 3.383 1.481 1.00 0.00 C ATOM 1879 NH1 ARG A 123 -15.875 2.120 1.533 1.00 0.00 N ATOM 1880 NH2 ARG A 123 -16.206 4.330 2.054 1.00 0.00 N ATOM 0 H ARG A 123 -10.509 3.715 -3.272 1.00 0.00 H new ATOM 0 HA ARG A 123 -12.894 5.333 -3.590 1.00 0.00 H new ATOM 0 HB2 ARG A 123 -14.015 4.614 -1.621 1.00 0.00 H new ATOM 0 HB3 ARG A 123 -13.670 3.155 -2.530 1.00 0.00 H new ATOM 0 HG2 ARG A 123 -11.763 2.645 -1.083 1.00 0.00 H new ATOM 0 HG3 ARG A 123 -11.954 4.167 -0.234 1.00 0.00 H new ATOM 0 HD2 ARG A 123 -14.093 2.004 -0.341 1.00 0.00 H new ATOM 0 HD3 ARG A 123 -12.929 2.162 0.959 1.00 0.00 H new ATOM 0 HE ARG A 123 -14.064 4.681 0.838 1.00 0.00 H new ATOM 0 HH11 ARG A 123 -15.315 1.389 1.095 1.00 0.00 H new ATOM 0 HH12 ARG A 123 -16.743 1.880 2.011 1.00 0.00 H new ATOM 0 HH21 ARG A 123 -15.901 5.303 2.017 1.00 0.00 H new ATOM 0 HH22 ARG A 123 -17.074 4.085 2.531 1.00 0.00 H new ATOM 1894 N TRP A 124 -11.869 6.986 -2.026 1.00 0.00 N ATOM 1895 CA TRP A 124 -11.149 8.012 -1.279 1.00 0.00 C ATOM 1896 C TRP A 124 -11.853 8.320 0.038 1.00 0.00 C ATOM 1897 O TRP A 124 -12.873 9.009 0.062 1.00 0.00 O ATOM 1898 CB TRP A 124 -11.023 9.287 -2.115 1.00 0.00 C ATOM 1899 CG TRP A 124 -9.816 9.299 -3.002 1.00 0.00 C ATOM 1900 CD1 TRP A 124 -9.731 8.820 -4.278 1.00 0.00 C ATOM 1901 CD2 TRP A 124 -8.520 9.815 -2.678 1.00 0.00 C ATOM 1902 NE1 TRP A 124 -8.460 9.006 -4.766 1.00 0.00 N ATOM 1903 CE2 TRP A 124 -7.699 9.616 -3.805 1.00 0.00 C ATOM 1904 CE3 TRP A 124 -7.974 10.428 -1.547 1.00 0.00 C ATOM 1905 CZ2 TRP A 124 -6.362 10.007 -3.830 1.00 0.00 C ATOM 1906 CZ3 TRP A 124 -6.648 10.815 -1.574 1.00 0.00 C ATOM 1907 CH2 TRP A 124 -5.855 10.605 -2.709 1.00 0.00 C ATOM 0 H TRP A 124 -12.711 7.319 -2.496 1.00 0.00 H new ATOM 0 HA TRP A 124 -10.152 7.632 -1.057 1.00 0.00 H new ATOM 0 HB2 TRP A 124 -11.917 9.400 -2.728 1.00 0.00 H new ATOM 0 HB3 TRP A 124 -10.983 10.148 -1.448 1.00 0.00 H new ATOM 0 HD1 TRP A 124 -10.543 8.362 -4.823 1.00 0.00 H new ATOM 0 HE1 TRP A 124 -8.136 8.734 -5.694 1.00 0.00 H new ATOM 0 HE3 TRP A 124 -8.578 10.596 -0.668 1.00 0.00 H new ATOM 0 HZ2 TRP A 124 -5.748 9.844 -4.703 1.00 0.00 H new ATOM 0 HZ3 TRP A 124 -6.215 11.288 -0.705 1.00 0.00 H new ATOM 0 HH2 TRP A 124 -4.822 10.922 -2.699 1.00 0.00 H new ATOM 1918 N LEU A 125 -11.302 7.806 1.132 1.00 0.00 N ATOM 1919 CA LEU A 125 -11.877 8.027 2.454 1.00 0.00 C ATOM 1920 C LEU A 125 -10.869 8.700 3.381 1.00 0.00 C ATOM 1921 O LEU A 125 -9.680 8.784 3.068 1.00 0.00 O ATOM 1922 CB LEU A 125 -12.336 6.698 3.060 1.00 0.00 C ATOM 1923 CG LEU A 125 -11.389 5.512 2.875 1.00 0.00 C ATOM 1924 CD1 LEU A 125 -10.129 5.701 3.705 1.00 0.00 C ATOM 1925 CD2 LEU A 125 -12.085 4.212 3.247 1.00 0.00 C ATOM 0 H LEU A 125 -10.458 7.233 1.130 1.00 0.00 H new ATOM 0 HA LEU A 125 -12.738 8.687 2.344 1.00 0.00 H new ATOM 0 HB2 LEU A 125 -12.497 6.845 4.128 1.00 0.00 H new ATOM 0 HB3 LEU A 125 -13.301 6.438 2.625 1.00 0.00 H new ATOM 0 HG LEU A 125 -11.103 5.460 1.825 1.00 0.00 H new ATOM 0 HD11 LEU A 125 -9.467 4.847 3.561 1.00 0.00 H new ATOM 0 HD12 LEU A 125 -9.620 6.612 3.391 1.00 0.00 H new ATOM 0 HD13 LEU A 125 -10.396 5.779 4.759 1.00 0.00 H new ATOM 0 HD21 LEU A 125 -11.396 3.378 3.109 1.00 0.00 H new ATOM 0 HD22 LEU A 125 -12.401 4.254 4.289 1.00 0.00 H new ATOM 0 HD23 LEU A 125 -12.958 4.071 2.609 1.00 0.00 H new ATOM 1937 N THR A 126 -11.351 9.176 4.525 1.00 0.00 N ATOM 1938 CA THR A 126 -10.493 9.840 5.498 1.00 0.00 C ATOM 1939 C THR A 126 -9.713 8.826 6.326 1.00 0.00 C ATOM 1940 O THR A 126 -10.047 7.643 6.350 1.00 0.00 O ATOM 1941 CB THR A 126 -11.310 10.739 6.445 1.00 0.00 C ATOM 1942 OG1 THR A 126 -11.952 9.942 7.446 1.00 0.00 O ATOM 1943 CG2 THR A 126 -12.354 11.531 5.673 1.00 0.00 C ATOM 0 H THR A 126 -12.331 9.114 4.800 1.00 0.00 H new ATOM 0 HA THR A 126 -9.795 10.458 4.934 1.00 0.00 H new ATOM 0 HB THR A 126 -10.626 11.440 6.924 1.00 0.00 H new ATOM 0 HG1 THR A 126 -12.468 10.522 8.045 1.00 0.00 H new ATOM 0 HG21 THR A 126 -12.918 12.158 6.363 1.00 0.00 H new ATOM 0 HG22 THR A 126 -11.860 12.160 4.932 1.00 0.00 H new ATOM 0 HG23 THR A 126 -13.033 10.843 5.169 1.00 0.00 H new ATOM 1951 N GLN A 127 -8.671 9.298 7.003 1.00 0.00 N ATOM 1952 CA GLN A 127 -7.843 8.430 7.833 1.00 0.00 C ATOM 1953 C GLN A 127 -8.695 7.663 8.837 1.00 0.00 C ATOM 1954 O GLN A 127 -8.490 6.469 9.054 1.00 0.00 O ATOM 1955 CB GLN A 127 -6.783 9.252 8.568 1.00 0.00 C ATOM 1956 CG GLN A 127 -5.928 10.107 7.646 1.00 0.00 C ATOM 1957 CD GLN A 127 -5.025 11.061 8.404 1.00 0.00 C ATOM 1958 OE1 GLN A 127 -4.649 10.800 9.548 1.00 0.00 O ATOM 1959 NE2 GLN A 127 -4.671 12.172 7.770 1.00 0.00 N ATOM 0 H GLN A 127 -8.380 10.276 6.993 1.00 0.00 H new ATOM 0 HA GLN A 127 -7.347 7.711 7.181 1.00 0.00 H new ATOM 0 HB2 GLN A 127 -7.276 9.898 9.295 1.00 0.00 H new ATOM 0 HB3 GLN A 127 -6.136 8.577 9.128 1.00 0.00 H new ATOM 0 HG2 GLN A 127 -5.318 9.458 7.017 1.00 0.00 H new ATOM 0 HG3 GLN A 127 -6.576 10.678 6.981 1.00 0.00 H new ATOM 0 HE21 GLN A 127 -5.006 12.347 6.823 1.00 0.00 H new ATOM 0 HE22 GLN A 127 -4.064 12.850 8.230 1.00 0.00 H new ATOM 1968 N GLU A 128 -9.651 8.355 9.447 1.00 0.00 N ATOM 1969 CA GLU A 128 -10.534 7.738 10.429 1.00 0.00 C ATOM 1970 C GLU A 128 -11.418 6.679 9.777 1.00 0.00 C ATOM 1971 O GLU A 128 -11.451 5.529 10.214 1.00 0.00 O ATOM 1972 CB GLU A 128 -11.405 8.800 11.104 1.00 0.00 C ATOM 1973 CG GLU A 128 -10.678 9.591 12.178 1.00 0.00 C ATOM 1974 CD GLU A 128 -11.445 10.824 12.615 1.00 0.00 C ATOM 1975 OE1 GLU A 128 -11.938 11.558 11.732 1.00 0.00 O ATOM 1976 OE2 GLU A 128 -11.552 11.055 13.837 1.00 0.00 O ATOM 0 H GLU A 128 -9.834 9.344 9.278 1.00 0.00 H new ATOM 0 HA GLU A 128 -9.914 7.254 11.183 1.00 0.00 H new ATOM 0 HB2 GLU A 128 -11.776 9.489 10.345 1.00 0.00 H new ATOM 0 HB3 GLU A 128 -12.275 8.316 11.548 1.00 0.00 H new ATOM 0 HG2 GLU A 128 -10.506 8.950 13.042 1.00 0.00 H new ATOM 0 HG3 GLU A 128 -9.699 9.891 11.803 1.00 0.00 H new ATOM 1983 N GLU A 129 -12.132 7.076 8.728 1.00 0.00 N ATOM 1984 CA GLU A 129 -13.017 6.161 8.017 1.00 0.00 C ATOM 1985 C GLU A 129 -12.312 4.842 7.720 1.00 0.00 C ATOM 1986 O GLU A 129 -12.931 3.778 7.729 1.00 0.00 O ATOM 1987 CB GLU A 129 -13.503 6.797 6.713 1.00 0.00 C ATOM 1988 CG GLU A 129 -14.750 7.650 6.880 1.00 0.00 C ATOM 1989 CD GLU A 129 -15.542 7.782 5.593 1.00 0.00 C ATOM 1990 OE1 GLU A 129 -15.651 6.778 4.859 1.00 0.00 O ATOM 1991 OE2 GLU A 129 -16.053 8.889 5.320 1.00 0.00 O ATOM 0 H GLU A 129 -12.115 8.024 8.352 1.00 0.00 H new ATOM 0 HA GLU A 129 -13.876 5.957 8.656 1.00 0.00 H new ATOM 0 HB2 GLU A 129 -12.704 7.413 6.299 1.00 0.00 H new ATOM 0 HB3 GLU A 129 -13.706 6.009 5.988 1.00 0.00 H new ATOM 0 HG2 GLU A 129 -15.385 7.212 7.650 1.00 0.00 H new ATOM 0 HG3 GLU A 129 -14.463 8.642 7.229 1.00 0.00 H new ATOM 1998 N PHE A 130 -11.011 4.919 7.458 1.00 0.00 N ATOM 1999 CA PHE A 130 -10.220 3.732 7.156 1.00 0.00 C ATOM 2000 C PHE A 130 -10.160 2.798 8.360 1.00 0.00 C ATOM 2001 O PHE A 130 -10.537 1.629 8.273 1.00 0.00 O ATOM 2002 CB PHE A 130 -8.804 4.131 6.735 1.00 0.00 C ATOM 2003 CG PHE A 130 -7.793 3.035 6.919 1.00 0.00 C ATOM 2004 CD1 PHE A 130 -7.121 2.889 8.122 1.00 0.00 C ATOM 2005 CD2 PHE A 130 -7.515 2.151 5.889 1.00 0.00 C ATOM 2006 CE1 PHE A 130 -6.190 1.882 8.293 1.00 0.00 C ATOM 2007 CE2 PHE A 130 -6.585 1.142 6.055 1.00 0.00 C ATOM 2008 CZ PHE A 130 -5.922 1.006 7.259 1.00 0.00 C ATOM 0 H PHE A 130 -10.482 5.791 7.449 1.00 0.00 H new ATOM 0 HA PHE A 130 -10.702 3.204 6.333 1.00 0.00 H new ATOM 0 HB2 PHE A 130 -8.816 4.431 5.687 1.00 0.00 H new ATOM 0 HB3 PHE A 130 -8.493 5.002 7.313 1.00 0.00 H new ATOM 0 HD1 PHE A 130 -7.327 3.570 8.935 1.00 0.00 H new ATOM 0 HD2 PHE A 130 -8.031 2.251 4.946 1.00 0.00 H new ATOM 0 HE1 PHE A 130 -5.672 1.780 9.235 1.00 0.00 H new ATOM 0 HE2 PHE A 130 -6.377 0.460 5.244 1.00 0.00 H new ATOM 0 HZ PHE A 130 -5.196 0.217 7.392 1.00 0.00 H new ATOM 2018 N HIS A 131 -9.684 3.322 9.486 1.00 0.00 N ATOM 2019 CA HIS A 131 -9.574 2.536 10.709 1.00 0.00 C ATOM 2020 C HIS A 131 -10.759 1.586 10.852 1.00 0.00 C ATOM 2021 O HIS A 131 -10.585 0.378 11.022 1.00 0.00 O ATOM 2022 CB HIS A 131 -9.493 3.457 11.927 1.00 0.00 C ATOM 2023 CG HIS A 131 -8.097 3.869 12.275 1.00 0.00 C ATOM 2024 ND1 HIS A 131 -7.038 2.986 12.309 1.00 0.00 N ATOM 2025 CD2 HIS A 131 -7.585 5.079 12.603 1.00 0.00 C ATOM 2026 CE1 HIS A 131 -5.937 3.635 12.645 1.00 0.00 C ATOM 2027 NE2 HIS A 131 -6.242 4.906 12.829 1.00 0.00 N ATOM 0 H HIS A 131 -9.368 4.288 9.576 1.00 0.00 H new ATOM 0 HA HIS A 131 -8.661 1.944 10.650 1.00 0.00 H new ATOM 0 HB2 HIS A 131 -10.090 4.349 11.738 1.00 0.00 H new ATOM 0 HB3 HIS A 131 -9.938 2.952 12.784 1.00 0.00 H new ATOM 0 HD1 HIS A 131 -7.096 1.988 12.106 1.00 0.00 H new ATOM 0 HD2 HIS A 131 -8.132 6.008 12.674 1.00 0.00 H new ATOM 0 HE1 HIS A 131 -4.954 3.199 12.751 1.00 0.00 H new ATOM 2036 N THR A 132 -11.967 2.139 10.784 1.00 0.00 N ATOM 2037 CA THR A 132 -13.181 1.342 10.908 1.00 0.00 C ATOM 2038 C THR A 132 -13.378 0.448 9.690 1.00 0.00 C ATOM 2039 O THR A 132 -13.678 -0.739 9.821 1.00 0.00 O ATOM 2040 CB THR A 132 -14.423 2.235 11.083 1.00 0.00 C ATOM 2041 OG1 THR A 132 -14.591 3.071 9.932 1.00 0.00 O ATOM 2042 CG2 THR A 132 -14.298 3.099 12.329 1.00 0.00 C ATOM 0 H THR A 132 -12.130 3.136 10.644 1.00 0.00 H new ATOM 0 HA THR A 132 -13.062 0.720 11.795 1.00 0.00 H new ATOM 0 HB THR A 132 -15.294 1.590 11.194 1.00 0.00 H new ATOM 0 HG1 THR A 132 -15.384 3.635 10.050 1.00 0.00 H new ATOM 0 HG21 THR A 132 -15.187 3.721 12.431 1.00 0.00 H new ATOM 0 HG22 THR A 132 -14.199 2.460 13.206 1.00 0.00 H new ATOM 0 HG23 THR A 132 -13.418 3.736 12.243 1.00 0.00 H new ATOM 2050 N ALA A 133 -13.208 1.025 8.505 1.00 0.00 N ATOM 2051 CA ALA A 133 -13.365 0.278 7.263 1.00 0.00 C ATOM 2052 C ALA A 133 -12.787 -1.127 7.389 1.00 0.00 C ATOM 2053 O ALA A 133 -11.781 -1.336 8.067 1.00 0.00 O ATOM 2054 CB ALA A 133 -12.702 1.022 6.113 1.00 0.00 C ATOM 0 H ALA A 133 -12.962 2.007 8.379 1.00 0.00 H new ATOM 0 HA ALA A 133 -14.431 0.186 7.056 1.00 0.00 H new ATOM 0 HB1 ALA A 133 -12.827 0.453 5.192 1.00 0.00 H new ATOM 0 HB2 ALA A 133 -13.164 2.003 5.999 1.00 0.00 H new ATOM 0 HB3 ALA A 133 -11.639 1.144 6.323 1.00 0.00 H new ATOM 2060 N ALA A 134 -13.429 -2.087 6.734 1.00 0.00 N ATOM 2061 CA ALA A 134 -12.978 -3.473 6.772 1.00 0.00 C ATOM 2062 C ALA A 134 -11.619 -3.627 6.097 1.00 0.00 C ATOM 2063 O ALA A 134 -11.518 -3.599 4.871 1.00 0.00 O ATOM 2064 CB ALA A 134 -14.005 -4.381 6.111 1.00 0.00 C ATOM 0 H ALA A 134 -14.264 -1.931 6.170 1.00 0.00 H new ATOM 0 HA ALA A 134 -12.870 -3.766 7.816 1.00 0.00 H new ATOM 0 HB1 ALA A 134 -13.655 -5.413 6.147 1.00 0.00 H new ATOM 0 HB2 ALA A 134 -14.955 -4.302 6.640 1.00 0.00 H new ATOM 0 HB3 ALA A 134 -14.142 -4.080 5.072 1.00 0.00 H new ATOM 2070 N VAL A 135 -10.577 -3.787 6.906 1.00 0.00 N ATOM 2071 CA VAL A 135 -9.224 -3.946 6.387 1.00 0.00 C ATOM 2072 C VAL A 135 -8.509 -5.111 7.061 1.00 0.00 C ATOM 2073 O VAL A 135 -8.770 -5.424 8.222 1.00 0.00 O ATOM 2074 CB VAL A 135 -8.393 -2.664 6.585 1.00 0.00 C ATOM 2075 CG1 VAL A 135 -7.202 -2.648 5.638 1.00 0.00 C ATOM 2076 CG2 VAL A 135 -9.260 -1.431 6.384 1.00 0.00 C ATOM 0 H VAL A 135 -10.644 -3.810 7.924 1.00 0.00 H new ATOM 0 HA VAL A 135 -9.317 -4.150 5.320 1.00 0.00 H new ATOM 0 HB VAL A 135 -8.015 -2.651 7.607 1.00 0.00 H new ATOM 0 HG11 VAL A 135 -6.627 -1.735 5.792 1.00 0.00 H new ATOM 0 HG12 VAL A 135 -6.569 -3.513 5.835 1.00 0.00 H new ATOM 0 HG13 VAL A 135 -7.556 -2.684 4.608 1.00 0.00 H new ATOM 0 HG21 VAL A 135 -8.657 -0.535 6.528 1.00 0.00 H new ATOM 0 HG22 VAL A 135 -9.669 -1.435 5.374 1.00 0.00 H new ATOM 0 HG23 VAL A 135 -10.076 -1.439 7.106 1.00 0.00 H new ATOM 2086 N SER A 136 -7.607 -5.751 6.324 1.00 0.00 N ATOM 2087 CA SER A 136 -6.856 -6.886 6.849 1.00 0.00 C ATOM 2088 C SER A 136 -5.894 -6.439 7.947 1.00 0.00 C ATOM 2089 O SER A 136 -5.422 -5.302 7.950 1.00 0.00 O ATOM 2090 CB SER A 136 -6.080 -7.575 5.726 1.00 0.00 C ATOM 2091 OG SER A 136 -6.952 -8.296 4.873 1.00 0.00 O ATOM 0 H SER A 136 -7.378 -5.503 5.361 1.00 0.00 H new ATOM 0 HA SER A 136 -7.566 -7.593 7.277 1.00 0.00 H new ATOM 0 HB2 SER A 136 -5.533 -6.830 5.147 1.00 0.00 H new ATOM 0 HB3 SER A 136 -5.341 -8.253 6.153 1.00 0.00 H new ATOM 0 HG SER A 136 -6.432 -8.726 4.162 1.00 0.00 H new ATOM 2097 N THR A 137 -5.609 -7.343 8.879 1.00 0.00 N ATOM 2098 CA THR A 137 -4.705 -7.044 9.983 1.00 0.00 C ATOM 2099 C THR A 137 -3.436 -6.363 9.485 1.00 0.00 C ATOM 2100 O THR A 137 -3.085 -5.273 9.938 1.00 0.00 O ATOM 2101 CB THR A 137 -4.320 -8.320 10.755 1.00 0.00 C ATOM 2102 OG1 THR A 137 -5.492 -8.930 11.309 1.00 0.00 O ATOM 2103 CG2 THR A 137 -3.333 -8.001 11.869 1.00 0.00 C ATOM 0 H THR A 137 -5.991 -8.289 8.891 1.00 0.00 H new ATOM 0 HA THR A 137 -5.237 -6.369 10.653 1.00 0.00 H new ATOM 0 HB THR A 137 -3.846 -9.011 10.058 1.00 0.00 H new ATOM 0 HG1 THR A 137 -5.239 -9.741 11.797 1.00 0.00 H new ATOM 0 HG21 THR A 137 -3.076 -8.917 12.400 1.00 0.00 H new ATOM 0 HG22 THR A 137 -2.431 -7.564 11.442 1.00 0.00 H new ATOM 0 HG23 THR A 137 -3.785 -7.293 12.564 1.00 0.00 H new ATOM 2111 N ALA A 138 -2.750 -7.011 8.549 1.00 0.00 N ATOM 2112 CA ALA A 138 -1.521 -6.465 7.987 1.00 0.00 C ATOM 2113 C ALA A 138 -1.720 -5.026 7.522 1.00 0.00 C ATOM 2114 O ALA A 138 -1.138 -4.098 8.080 1.00 0.00 O ATOM 2115 CB ALA A 138 -1.037 -7.332 6.835 1.00 0.00 C ATOM 0 H ALA A 138 -3.025 -7.915 8.164 1.00 0.00 H new ATOM 0 HA ALA A 138 -0.763 -6.464 8.770 1.00 0.00 H new ATOM 0 HB1 ALA A 138 -0.118 -6.912 6.425 1.00 0.00 H new ATOM 0 HB2 ALA A 138 -0.845 -8.342 7.196 1.00 0.00 H new ATOM 0 HB3 ALA A 138 -1.800 -7.363 6.058 1.00 0.00 H new ATOM 2121 N MET A 139 -2.546 -4.850 6.495 1.00 0.00 N ATOM 2122 CA MET A 139 -2.822 -3.524 5.957 1.00 0.00 C ATOM 2123 C MET A 139 -3.113 -2.531 7.077 1.00 0.00 C ATOM 2124 O MET A 139 -2.560 -1.431 7.105 1.00 0.00 O ATOM 2125 CB MET A 139 -4.007 -3.580 4.989 1.00 0.00 C ATOM 2126 CG MET A 139 -3.891 -4.683 3.950 1.00 0.00 C ATOM 2127 SD MET A 139 -2.276 -4.717 3.149 1.00 0.00 S ATOM 2128 CE MET A 139 -2.065 -2.987 2.739 1.00 0.00 C ATOM 0 H MET A 139 -3.035 -5.609 6.020 1.00 0.00 H new ATOM 0 HA MET A 139 -1.936 -3.187 5.418 1.00 0.00 H new ATOM 0 HB2 MET A 139 -4.925 -3.724 5.559 1.00 0.00 H new ATOM 0 HB3 MET A 139 -4.095 -2.620 4.480 1.00 0.00 H new ATOM 0 HG2 MET A 139 -4.076 -5.646 4.426 1.00 0.00 H new ATOM 0 HG3 MET A 139 -4.664 -4.547 3.194 1.00 0.00 H new ATOM 0 HE1 MET A 139 -1.125 -2.852 2.205 1.00 0.00 H new ATOM 0 HE2 MET A 139 -2.891 -2.659 2.108 1.00 0.00 H new ATOM 0 HE3 MET A 139 -2.050 -2.395 3.654 1.00 0.00 H new ATOM 2138 N LYS A 140 -3.983 -2.925 8.001 1.00 0.00 N ATOM 2139 CA LYS A 140 -4.346 -2.071 9.126 1.00 0.00 C ATOM 2140 C LYS A 140 -3.101 -1.536 9.826 1.00 0.00 C ATOM 2141 O LYS A 140 -3.088 -0.406 10.314 1.00 0.00 O ATOM 2142 CB LYS A 140 -5.212 -2.845 10.121 1.00 0.00 C ATOM 2143 CG LYS A 140 -6.664 -2.971 9.695 1.00 0.00 C ATOM 2144 CD LYS A 140 -7.582 -3.161 10.891 1.00 0.00 C ATOM 2145 CE LYS A 140 -8.114 -1.830 11.401 1.00 0.00 C ATOM 2146 NZ LYS A 140 -8.831 -1.981 12.697 1.00 0.00 N ATOM 0 H LYS A 140 -4.450 -3.832 7.993 1.00 0.00 H new ATOM 0 HA LYS A 140 -4.915 -1.225 8.740 1.00 0.00 H new ATOM 0 HB2 LYS A 140 -4.794 -3.843 10.255 1.00 0.00 H new ATOM 0 HB3 LYS A 140 -5.168 -2.349 11.090 1.00 0.00 H new ATOM 0 HG2 LYS A 140 -6.962 -2.078 9.145 1.00 0.00 H new ATOM 0 HG3 LYS A 140 -6.772 -3.815 9.014 1.00 0.00 H new ATOM 0 HD2 LYS A 140 -8.416 -3.805 10.612 1.00 0.00 H new ATOM 0 HD3 LYS A 140 -7.041 -3.668 11.690 1.00 0.00 H new ATOM 0 HE2 LYS A 140 -7.287 -1.131 11.523 1.00 0.00 H new ATOM 0 HE3 LYS A 140 -8.789 -1.400 10.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 140 -9.179 -1.053 13.012 1.00 0.00 H new ATOM 0 HZ2 LYS A 140 -9.635 -2.629 12.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 140 -8.181 -2.367 13.411 1.00 0.00 H new ATOM 2160 N LYS A 141 -2.055 -2.354 9.871 1.00 0.00 N ATOM 2161 CA LYS A 141 -0.804 -1.963 10.510 1.00 0.00 C ATOM 2162 C LYS A 141 -0.040 -0.968 9.644 1.00 0.00 C ATOM 2163 O LYS A 141 0.630 -0.069 10.156 1.00 0.00 O ATOM 2164 CB LYS A 141 0.064 -3.195 10.776 1.00 0.00 C ATOM 2165 CG LYS A 141 -0.427 -4.046 11.934 1.00 0.00 C ATOM 2166 CD LYS A 141 -0.007 -5.498 11.777 1.00 0.00 C ATOM 2167 CE LYS A 141 0.189 -6.171 13.127 1.00 0.00 C ATOM 2168 NZ LYS A 141 -1.106 -6.422 13.816 1.00 0.00 N ATOM 0 H LYS A 141 -2.049 -3.293 9.472 1.00 0.00 H new ATOM 0 HA LYS A 141 -1.044 -1.484 11.459 1.00 0.00 H new ATOM 0 HB2 LYS A 141 0.097 -3.807 9.875 1.00 0.00 H new ATOM 0 HB3 LYS A 141 1.085 -2.873 10.980 1.00 0.00 H new ATOM 0 HG2 LYS A 141 -0.032 -3.651 12.870 1.00 0.00 H new ATOM 0 HG3 LYS A 141 -1.514 -3.985 11.996 1.00 0.00 H new ATOM 0 HD2 LYS A 141 -0.764 -6.037 11.207 1.00 0.00 H new ATOM 0 HD3 LYS A 141 0.920 -5.550 11.205 1.00 0.00 H new ATOM 0 HE2 LYS A 141 0.715 -7.115 12.989 1.00 0.00 H new ATOM 0 HE3 LYS A 141 0.820 -5.544 13.757 1.00 0.00 H new ATOM 0 HZ1 LYS A 141 -0.999 -6.239 14.834 1.00 0.00 H new ATOM 0 HZ2 LYS A 141 -1.835 -5.791 13.426 1.00 0.00 H new ATOM 0 HZ3 LYS A 141 -1.391 -7.412 13.670 1.00 0.00 H new ATOM 2182 N VAL A 142 -0.144 -1.131 8.329 1.00 0.00 N ATOM 2183 CA VAL A 142 0.535 -0.245 7.392 1.00 0.00 C ATOM 2184 C VAL A 142 0.173 1.213 7.653 1.00 0.00 C ATOM 2185 O VAL A 142 0.856 2.127 7.189 1.00 0.00 O ATOM 2186 CB VAL A 142 0.187 -0.596 5.934 1.00 0.00 C ATOM 2187 CG1 VAL A 142 0.599 0.532 4.999 1.00 0.00 C ATOM 2188 CG2 VAL A 142 0.850 -1.903 5.528 1.00 0.00 C ATOM 0 H VAL A 142 -0.693 -1.869 7.888 1.00 0.00 H new ATOM 0 HA VAL A 142 1.605 -0.384 7.545 1.00 0.00 H new ATOM 0 HB VAL A 142 -0.893 -0.723 5.858 1.00 0.00 H new ATOM 0 HG11 VAL A 142 0.345 0.265 3.973 1.00 0.00 H new ATOM 0 HG12 VAL A 142 0.073 1.446 5.277 1.00 0.00 H new ATOM 0 HG13 VAL A 142 1.674 0.694 5.076 1.00 0.00 H new ATOM 0 HG21 VAL A 142 0.593 -2.136 4.495 1.00 0.00 H new ATOM 0 HG22 VAL A 142 1.932 -1.806 5.620 1.00 0.00 H new ATOM 0 HG23 VAL A 142 0.501 -2.705 6.178 1.00 0.00 H new ATOM 2198 N PHE A 143 -0.906 1.424 8.398 1.00 0.00 N ATOM 2199 CA PHE A 143 -1.362 2.772 8.721 1.00 0.00 C ATOM 2200 C PHE A 143 -0.754 3.250 10.036 1.00 0.00 C ATOM 2201 O PHE A 143 0.085 4.151 10.054 1.00 0.00 O ATOM 2202 CB PHE A 143 -2.888 2.810 8.807 1.00 0.00 C ATOM 2203 CG PHE A 143 -3.431 4.145 9.235 1.00 0.00 C ATOM 2204 CD1 PHE A 143 -3.555 4.458 10.579 1.00 0.00 C ATOM 2205 CD2 PHE A 143 -3.817 5.085 8.292 1.00 0.00 C ATOM 2206 CE1 PHE A 143 -4.054 5.684 10.974 1.00 0.00 C ATOM 2207 CE2 PHE A 143 -4.317 6.313 8.682 1.00 0.00 C ATOM 2208 CZ PHE A 143 -4.435 6.613 10.025 1.00 0.00 C ATOM 0 H PHE A 143 -1.482 0.679 8.790 1.00 0.00 H new ATOM 0 HA PHE A 143 -1.034 3.441 7.925 1.00 0.00 H new ATOM 0 HB2 PHE A 143 -3.305 2.552 7.834 1.00 0.00 H new ATOM 0 HB3 PHE A 143 -3.224 2.048 9.510 1.00 0.00 H new ATOM 0 HD1 PHE A 143 -3.258 3.736 11.325 1.00 0.00 H new ATOM 0 HD2 PHE A 143 -3.726 4.855 7.241 1.00 0.00 H new ATOM 0 HE1 PHE A 143 -4.146 5.916 12.025 1.00 0.00 H new ATOM 0 HE2 PHE A 143 -4.615 7.037 7.938 1.00 0.00 H new ATOM 0 HZ PHE A 143 -4.824 7.572 10.333 1.00 0.00 H new ATOM 2218 N ARG A 144 -1.185 2.641 11.136 1.00 0.00 N ATOM 2219 CA ARG A 144 -0.687 3.005 12.457 1.00 0.00 C ATOM 2220 C ARG A 144 0.815 3.276 12.415 1.00 0.00 C ATOM 2221 O ARG A 144 1.324 4.123 13.149 1.00 0.00 O ATOM 2222 CB ARG A 144 -0.987 1.893 13.464 1.00 0.00 C ATOM 2223 CG ARG A 144 -0.489 0.524 13.025 1.00 0.00 C ATOM 2224 CD ARG A 144 0.912 0.248 13.548 1.00 0.00 C ATOM 2225 NE ARG A 144 0.909 -0.098 14.966 1.00 0.00 N ATOM 2226 CZ ARG A 144 1.930 -0.688 15.581 1.00 0.00 C ATOM 2227 NH1 ARG A 144 3.028 -0.994 14.904 1.00 0.00 N ATOM 2228 NH2 ARG A 144 1.852 -0.971 16.875 1.00 0.00 N ATOM 0 H ARG A 144 -1.878 1.893 11.138 1.00 0.00 H new ATOM 0 HA ARG A 144 -1.196 3.916 12.771 1.00 0.00 H new ATOM 0 HB2 ARG A 144 -0.530 2.147 14.420 1.00 0.00 H new ATOM 0 HB3 ARG A 144 -2.063 1.843 13.628 1.00 0.00 H new ATOM 0 HG2 ARG A 144 -1.171 -0.246 13.385 1.00 0.00 H new ATOM 0 HG3 ARG A 144 -0.490 0.467 11.937 1.00 0.00 H new ATOM 0 HD2 ARG A 144 1.358 -0.567 12.977 1.00 0.00 H new ATOM 0 HD3 ARG A 144 1.537 1.127 13.391 1.00 0.00 H new ATOM 0 HE ARG A 144 0.079 0.125 15.515 1.00 0.00 H new ATOM 0 HH11 ARG A 144 3.091 -0.777 13.909 1.00 0.00 H new ATOM 0 HH12 ARG A 144 3.810 -1.446 15.378 1.00 0.00 H new ATOM 0 HH21 ARG A 144 1.009 -0.736 17.398 1.00 0.00 H new ATOM 0 HH22 ARG A 144 2.635 -1.424 17.346 1.00 0.00 H new ATOM 2242 N VAL A 145 1.518 2.550 11.552 1.00 0.00 N ATOM 2243 CA VAL A 145 2.961 2.712 11.414 1.00 0.00 C ATOM 2244 C VAL A 145 3.299 3.987 10.649 1.00 0.00 C ATOM 2245 O VAL A 145 4.232 4.708 11.006 1.00 0.00 O ATOM 2246 CB VAL A 145 3.594 1.509 10.690 1.00 0.00 C ATOM 2247 CG1 VAL A 145 5.062 1.776 10.396 1.00 0.00 C ATOM 2248 CG2 VAL A 145 3.429 0.244 11.517 1.00 0.00 C ATOM 0 H VAL A 145 1.112 1.844 10.938 1.00 0.00 H new ATOM 0 HA VAL A 145 3.371 2.776 12.422 1.00 0.00 H new ATOM 0 HB VAL A 145 3.078 1.365 9.741 1.00 0.00 H new ATOM 0 HG11 VAL A 145 5.493 0.915 9.884 1.00 0.00 H new ATOM 0 HG12 VAL A 145 5.151 2.658 9.761 1.00 0.00 H new ATOM 0 HG13 VAL A 145 5.595 1.946 11.331 1.00 0.00 H new ATOM 0 HG21 VAL A 145 3.882 -0.596 10.991 1.00 0.00 H new ATOM 0 HG22 VAL A 145 3.918 0.374 12.482 1.00 0.00 H new ATOM 0 HG23 VAL A 145 2.368 0.046 11.672 1.00 0.00 H new ATOM 2258 N TYR A 146 2.536 4.260 9.596 1.00 0.00 N ATOM 2259 CA TYR A 146 2.756 5.447 8.780 1.00 0.00 C ATOM 2260 C TYR A 146 2.390 6.713 9.549 1.00 0.00 C ATOM 2261 O TYR A 146 2.997 7.767 9.355 1.00 0.00 O ATOM 2262 CB TYR A 146 1.936 5.365 7.492 1.00 0.00 C ATOM 2263 CG TYR A 146 1.496 6.713 6.967 1.00 0.00 C ATOM 2264 CD1 TYR A 146 2.388 7.547 6.303 1.00 0.00 C ATOM 2265 CD2 TYR A 146 0.189 7.152 7.133 1.00 0.00 C ATOM 2266 CE1 TYR A 146 1.991 8.780 5.823 1.00 0.00 C ATOM 2267 CE2 TYR A 146 -0.217 8.382 6.655 1.00 0.00 C ATOM 2268 CZ TYR A 146 0.687 9.192 6.000 1.00 0.00 C ATOM 2269 OH TYR A 146 0.286 10.419 5.523 1.00 0.00 O ATOM 0 H TYR A 146 1.760 3.675 9.288 1.00 0.00 H new ATOM 0 HA TYR A 146 3.815 5.491 8.527 1.00 0.00 H new ATOM 0 HB2 TYR A 146 2.527 4.862 6.727 1.00 0.00 H new ATOM 0 HB3 TYR A 146 1.055 4.749 7.671 1.00 0.00 H new ATOM 0 HD1 TYR A 146 3.409 7.225 6.160 1.00 0.00 H new ATOM 0 HD2 TYR A 146 -0.522 6.520 7.645 1.00 0.00 H new ATOM 0 HE1 TYR A 146 2.698 9.417 5.312 1.00 0.00 H new ATOM 0 HE2 TYR A 146 -1.237 8.708 6.793 1.00 0.00 H new ATOM 0 HH TYR A 146 -0.644 10.584 5.784 1.00 0.00 H new ATOM 2279 N GLN A 147 1.394 6.600 10.422 1.00 0.00 N ATOM 2280 CA GLN A 147 0.946 7.735 11.220 1.00 0.00 C ATOM 2281 C GLN A 147 2.098 8.318 12.031 1.00 0.00 C ATOM 2282 O GLN A 147 2.356 9.520 11.986 1.00 0.00 O ATOM 2283 CB GLN A 147 -0.188 7.311 12.155 1.00 0.00 C ATOM 2284 CG GLN A 147 -1.484 6.985 11.430 1.00 0.00 C ATOM 2285 CD GLN A 147 -2.256 8.226 11.027 1.00 0.00 C ATOM 2286 OE1 GLN A 147 -2.928 8.847 11.850 1.00 0.00 O ATOM 2287 NE2 GLN A 147 -2.165 8.593 9.755 1.00 0.00 N ATOM 0 H GLN A 147 0.882 5.735 10.594 1.00 0.00 H new ATOM 0 HA GLN A 147 0.579 8.504 10.540 1.00 0.00 H new ATOM 0 HB2 GLN A 147 0.129 6.438 12.725 1.00 0.00 H new ATOM 0 HB3 GLN A 147 -0.374 8.110 12.873 1.00 0.00 H new ATOM 0 HG2 GLN A 147 -1.260 6.396 10.540 1.00 0.00 H new ATOM 0 HG3 GLN A 147 -2.109 6.366 12.073 1.00 0.00 H new ATOM 0 HE21 GLN A 147 -1.596 8.049 9.107 1.00 0.00 H new ATOM 0 HE22 GLN A 147 -2.664 9.420 9.426 1.00 0.00 H new