USER MOD reduce.3.24.130724 H: found=0, std=0, add=978, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 979 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 127 GLN : amide:sc= 0 K(o=-8.7,f=-7.4) USER MOD Set 1.2: A 147 GLN : amide:sc= -8.66! C(o=-8.7!,f=-6.8!) USER MOD Set 2.1: A 94 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 99 LYS NZ :NH3+ -163:sc= -0.115 (180deg=-0.539) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 5:sc= 0.238 USER MOD Single : A 23 THR OG1 : rot 51:sc= 0.013 USER MOD Single : A 24 CYS SG : rot 50:sc= -1.29! USER MOD Single : A 28 GLN : amide:sc= -1.98! K(o=-2!,f=-0.99) USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=-0.1) USER MOD Single : A 40 GLN : amide:sc= -0.458 X(o=-0.46,f=-0.37) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0.00539 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 63 GLN : amide:sc=-0.00672 K(o=-0.0067,f=-1.2) USER MOD Single : A 65 GLN : amide:sc= -4.89! C(o=-4.9!,f=-14!) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 GLN : amide:sc= -0.341 X(o=-0.34,f=-0.34) USER MOD Single : A 74 GLN : amide:sc= -0.434 X(o=-0.43,f=-0.37) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 HIS : no HD1:sc= -0.0818 X(o=-0.082,f=0) USER MOD Single : A 87 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 93 HIS : no HD1:sc= -7.41! K(o=-7.4!,f=-3.6) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 97 HIS : no HD1:sc= -3.52 K(o=-3.5,f=-2.5) 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= -0.0605 X(o=-0.061,f=-0.061) USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD Single : A 116 THR OG1 : rot 71:sc= 0.544 USER MOD Single : A 117 THR OG1 : rot 83:sc= 0.073 USER MOD Single : A 126 THR OG1 : rot 180:sc= 0.0452 USER MOD Single : A 131 HIS : no HE2:sc= -2.32 K(o=-2.3,f=-3.3!) USER MOD Single : A 132 THR OG1 : rot -50:sc= 1.15 USER MOD Single : A 136 SER OG : rot 180:sc= -0.0485 USER MOD Single : A 137 THR OG1 : rot 180:sc= 0 USER MOD Single : A 139 MET CE :methyl -133:sc= -1.5 (180deg=-2.4!) USER MOD Single : A 140 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 141 LYS NZ :NH3+ 170:sc= -2! (180deg=-2.17!) USER MOD Single : A 146 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 207 N PRO A 16 2.306 -19.628 -1.643 1.00 0.00 N ATOM 208 CA PRO A 16 1.876 -18.436 -0.905 1.00 0.00 C ATOM 209 C PRO A 16 2.832 -18.080 0.228 1.00 0.00 C ATOM 210 O PRO A 16 2.990 -16.910 0.577 1.00 0.00 O ATOM 211 CB PRO A 16 0.509 -18.837 -0.346 1.00 0.00 C ATOM 212 CG PRO A 16 0.558 -20.324 -0.258 1.00 0.00 C ATOM 213 CD PRO A 16 1.418 -20.779 -1.405 1.00 0.00 C ATOM 0 HA PRO A 16 1.848 -17.551 -1.541 1.00 0.00 H new ATOM 0 HB2 PRO A 16 0.334 -18.388 0.632 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -0.299 -18.505 -0.999 1.00 0.00 H new ATOM 0 HG2 PRO A 16 0.978 -20.645 0.695 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -0.442 -20.752 -0.326 1.00 0.00 H new ATOM 0 HD2 PRO A 16 1.982 -21.677 -1.153 1.00 0.00 H new ATOM 0 HD3 PRO A 16 0.821 -21.015 -2.286 1.00 0.00 H new ATOM 221 N ARG A 17 3.468 -19.097 0.801 1.00 0.00 N ATOM 222 CA ARG A 17 4.408 -18.891 1.897 1.00 0.00 C ATOM 223 C ARG A 17 5.240 -17.633 1.669 1.00 0.00 C ATOM 224 O ARG A 17 5.138 -16.666 2.423 1.00 0.00 O ATOM 225 CB ARG A 17 5.329 -20.105 2.041 1.00 0.00 C ATOM 226 CG ARG A 17 4.589 -21.432 2.064 1.00 0.00 C ATOM 227 CD ARG A 17 5.333 -22.471 2.887 1.00 0.00 C ATOM 228 NE ARG A 17 5.468 -22.069 4.285 1.00 0.00 N ATOM 229 CZ ARG A 17 6.107 -22.792 5.198 1.00 0.00 C ATOM 230 NH1 ARG A 17 6.666 -23.946 4.864 1.00 0.00 N ATOM 231 NH2 ARG A 17 6.186 -22.359 6.451 1.00 0.00 N ATOM 0 H ARG A 17 3.350 -20.072 0.525 1.00 0.00 H new ATOM 0 HA ARG A 17 3.835 -18.766 2.816 1.00 0.00 H new ATOM 0 HB2 ARG A 17 6.041 -20.110 1.216 1.00 0.00 H new ATOM 0 HB3 ARG A 17 5.907 -20.005 2.960 1.00 0.00 H new ATOM 0 HG2 ARG A 17 3.591 -21.286 2.477 1.00 0.00 H new ATOM 0 HG3 ARG A 17 4.462 -21.797 1.045 1.00 0.00 H new ATOM 0 HD2 ARG A 17 4.804 -23.423 2.833 1.00 0.00 H new ATOM 0 HD3 ARG A 17 6.322 -22.632 2.459 1.00 0.00 H new ATOM 0 HE ARG A 17 5.049 -21.186 4.576 1.00 0.00 H new ATOM 0 HH11 ARG A 17 6.607 -24.282 3.903 1.00 0.00 H new ATOM 0 HH12 ARG A 17 7.156 -24.498 5.568 1.00 0.00 H new ATOM 0 HH21 ARG A 17 5.756 -21.472 6.712 1.00 0.00 H new ATOM 0 HH22 ARG A 17 6.677 -22.914 7.152 1.00 0.00 H new ATOM 245 N GLU A 18 6.064 -17.654 0.626 1.00 0.00 N ATOM 246 CA GLU A 18 6.914 -16.514 0.302 1.00 0.00 C ATOM 247 C GLU A 18 6.164 -15.505 -0.561 1.00 0.00 C ATOM 248 O GLU A 18 6.030 -15.686 -1.771 1.00 0.00 O ATOM 249 CB GLU A 18 8.178 -16.982 -0.422 1.00 0.00 C ATOM 250 CG GLU A 18 7.926 -18.091 -1.431 1.00 0.00 C ATOM 251 CD GLU A 18 9.087 -18.285 -2.387 1.00 0.00 C ATOM 252 OE1 GLU A 18 9.223 -17.471 -3.325 1.00 0.00 O ATOM 253 OE2 GLU A 18 9.858 -19.248 -2.198 1.00 0.00 O ATOM 0 H GLU A 18 6.161 -18.447 -0.008 1.00 0.00 H new ATOM 0 HA GLU A 18 7.198 -16.028 1.235 1.00 0.00 H new ATOM 0 HB2 GLU A 18 8.629 -16.132 -0.934 1.00 0.00 H new ATOM 0 HB3 GLU A 18 8.901 -17.330 0.315 1.00 0.00 H new ATOM 0 HG2 GLU A 18 7.738 -19.024 -0.900 1.00 0.00 H new ATOM 0 HG3 GLU A 18 7.026 -17.861 -2.001 1.00 0.00 H new ATOM 260 N GLU A 19 5.678 -14.440 0.070 1.00 0.00 N ATOM 261 CA GLU A 19 4.940 -13.402 -0.641 1.00 0.00 C ATOM 262 C GLU A 19 5.254 -12.023 -0.069 1.00 0.00 C ATOM 263 O GLU A 19 4.912 -11.720 1.075 1.00 0.00 O ATOM 264 CB GLU A 19 3.435 -13.669 -0.560 1.00 0.00 C ATOM 265 CG GLU A 19 2.927 -14.617 -1.634 1.00 0.00 C ATOM 266 CD GLU A 19 2.608 -13.906 -2.935 1.00 0.00 C ATOM 267 OE1 GLU A 19 2.262 -12.707 -2.888 1.00 0.00 O ATOM 268 OE2 GLU A 19 2.705 -14.549 -4.002 1.00 0.00 O ATOM 0 H GLU A 19 5.782 -14.274 1.071 1.00 0.00 H new ATOM 0 HA GLU A 19 5.250 -13.422 -1.686 1.00 0.00 H new ATOM 0 HB2 GLU A 19 3.200 -14.084 0.420 1.00 0.00 H new ATOM 0 HB3 GLU A 19 2.901 -12.722 -0.641 1.00 0.00 H new ATOM 0 HG2 GLU A 19 3.677 -15.386 -1.819 1.00 0.00 H new ATOM 0 HG3 GLU A 19 2.032 -15.124 -1.272 1.00 0.00 H new ATOM 275 N SER A 20 5.909 -11.190 -0.872 1.00 0.00 N ATOM 276 CA SER A 20 6.273 -9.844 -0.445 1.00 0.00 C ATOM 277 C SER A 20 5.676 -8.797 -1.380 1.00 0.00 C ATOM 278 O SER A 20 5.568 -9.016 -2.587 1.00 0.00 O ATOM 279 CB SER A 20 7.796 -9.697 -0.401 1.00 0.00 C ATOM 280 OG SER A 20 8.381 -10.691 0.420 1.00 0.00 O ATOM 0 H SER A 20 6.198 -11.424 -1.822 1.00 0.00 H new ATOM 0 HA SER A 20 5.869 -9.684 0.555 1.00 0.00 H new ATOM 0 HB2 SER A 20 8.201 -9.770 -1.410 1.00 0.00 H new ATOM 0 HB3 SER A 20 8.058 -8.709 -0.023 1.00 0.00 H new ATOM 0 HG SER A 20 9.354 -10.576 0.430 1.00 0.00 H new ATOM 286 N SER A 21 5.288 -7.659 -0.814 1.00 0.00 N ATOM 287 CA SER A 21 4.698 -6.579 -1.594 1.00 0.00 C ATOM 288 C SER A 21 5.032 -5.222 -0.983 1.00 0.00 C ATOM 289 O SER A 21 5.352 -5.124 0.201 1.00 0.00 O ATOM 290 CB SER A 21 3.180 -6.753 -1.680 1.00 0.00 C ATOM 291 OG SER A 21 2.838 -7.846 -2.515 1.00 0.00 O ATOM 0 H SER A 21 5.372 -7.461 0.183 1.00 0.00 H new ATOM 0 HA SER A 21 5.118 -6.619 -2.599 1.00 0.00 H new ATOM 0 HB2 SER A 21 2.772 -6.912 -0.682 1.00 0.00 H new ATOM 0 HB3 SER A 21 2.728 -5.840 -2.067 1.00 0.00 H new ATOM 0 HG SER A 21 3.654 -8.311 -2.796 1.00 0.00 H new ATOM 297 N ALA A 22 4.954 -4.176 -1.800 1.00 0.00 N ATOM 298 CA ALA A 22 5.246 -2.823 -1.340 1.00 0.00 C ATOM 299 C ALA A 22 3.992 -1.956 -1.356 1.00 0.00 C ATOM 300 O ALA A 22 3.449 -1.650 -2.419 1.00 0.00 O ATOM 301 CB ALA A 22 6.334 -2.198 -2.199 1.00 0.00 C ATOM 0 H ALA A 22 4.691 -4.240 -2.783 1.00 0.00 H new ATOM 0 HA ALA A 22 5.601 -2.883 -0.311 1.00 0.00 H new ATOM 0 HB1 ALA A 22 6.542 -1.188 -1.845 1.00 0.00 H new ATOM 0 HB2 ALA A 22 7.240 -2.800 -2.133 1.00 0.00 H new ATOM 0 HB3 ALA A 22 6.000 -2.157 -3.236 1.00 0.00 H new ATOM 307 N THR A 23 3.534 -1.563 -0.172 1.00 0.00 N ATOM 308 CA THR A 23 2.343 -0.732 -0.050 1.00 0.00 C ATOM 309 C THR A 23 2.702 0.684 0.385 1.00 0.00 C ATOM 310 O THR A 23 3.649 0.889 1.146 1.00 0.00 O ATOM 311 CB THR A 23 1.342 -1.328 0.958 1.00 0.00 C ATOM 312 OG1 THR A 23 0.292 -0.391 1.217 1.00 0.00 O ATOM 313 CG2 THR A 23 2.039 -1.690 2.262 1.00 0.00 C ATOM 0 H THR A 23 3.970 -1.807 0.717 1.00 0.00 H new ATOM 0 HA THR A 23 1.879 -0.700 -1.036 1.00 0.00 H new ATOM 0 HB THR A 23 0.920 -2.235 0.525 1.00 0.00 H new ATOM 0 HG1 THR A 23 -0.076 -0.069 0.368 1.00 0.00 H new ATOM 0 HG21 THR A 23 1.313 -2.109 2.959 1.00 0.00 H new ATOM 0 HG22 THR A 23 2.819 -2.425 2.066 1.00 0.00 H new ATOM 0 HG23 THR A 23 2.485 -0.795 2.697 1.00 0.00 H new ATOM 321 N CYS A 24 1.941 1.658 -0.102 1.00 0.00 N ATOM 322 CA CYS A 24 2.180 3.056 0.238 1.00 0.00 C ATOM 323 C CYS A 24 0.884 3.746 0.650 1.00 0.00 C ATOM 324 O CYS A 24 -0.208 3.309 0.283 1.00 0.00 O ATOM 325 CB CYS A 24 2.807 3.791 -0.948 1.00 0.00 C ATOM 326 SG CYS A 24 2.625 5.589 -0.884 1.00 0.00 S ATOM 0 H CYS A 24 1.154 1.506 -0.733 1.00 0.00 H new ATOM 0 HA CYS A 24 2.870 3.085 1.081 1.00 0.00 H new ATOM 0 HB2 CYS A 24 3.868 3.546 -0.994 1.00 0.00 H new ATOM 0 HB3 CYS A 24 2.355 3.424 -1.869 1.00 0.00 H new ATOM 0 HG CYS A 24 3.009 6.023 0.280 1.00 0.00 H new ATOM 332 N VAL A 25 1.010 4.824 1.416 1.00 0.00 N ATOM 333 CA VAL A 25 -0.152 5.574 1.879 1.00 0.00 C ATOM 334 C VAL A 25 -0.265 6.912 1.159 1.00 0.00 C ATOM 335 O VAL A 25 0.417 7.878 1.507 1.00 0.00 O ATOM 336 CB VAL A 25 -0.090 5.825 3.398 1.00 0.00 C ATOM 337 CG1 VAL A 25 -1.139 6.843 3.814 1.00 0.00 C ATOM 338 CG2 VAL A 25 -0.269 4.520 4.160 1.00 0.00 C ATOM 0 H VAL A 25 1.906 5.198 1.730 1.00 0.00 H new ATOM 0 HA VAL A 25 -1.030 4.968 1.654 1.00 0.00 H new ATOM 0 HB VAL A 25 0.892 6.231 3.643 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -1.080 7.007 4.890 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -0.960 7.784 3.293 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -2.130 6.469 3.558 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -0.223 4.715 5.231 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -1.237 4.084 3.912 1.00 0.00 H new ATOM 0 HG23 VAL A 25 0.524 3.825 3.883 1.00 0.00 H new ATOM 348 N LEU A 26 -1.131 6.965 0.153 1.00 0.00 N ATOM 349 CA LEU A 26 -1.335 8.187 -0.618 1.00 0.00 C ATOM 350 C LEU A 26 -2.374 9.083 0.047 1.00 0.00 C ATOM 351 O LEU A 26 -3.562 8.762 0.070 1.00 0.00 O ATOM 352 CB LEU A 26 -1.776 7.847 -2.043 1.00 0.00 C ATOM 353 CG LEU A 26 -2.365 9.000 -2.857 1.00 0.00 C ATOM 354 CD1 LEU A 26 -1.381 10.157 -2.932 1.00 0.00 C ATOM 355 CD2 LEU A 26 -2.743 8.528 -4.253 1.00 0.00 C ATOM 0 H LEU A 26 -1.703 6.176 -0.148 1.00 0.00 H new ATOM 0 HA LEU A 26 -0.388 8.726 -0.656 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -0.916 7.450 -2.583 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -2.517 7.049 -1.992 1.00 0.00 H new ATOM 0 HG LEU A 26 -3.268 9.349 -2.356 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -1.817 10.968 -3.515 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -1.159 10.512 -1.926 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -0.460 9.821 -3.409 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -3.160 9.361 -4.818 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -1.856 8.152 -4.763 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -3.484 7.732 -4.180 1.00 0.00 H new ATOM 367 N GLU A 27 -1.919 10.210 0.586 1.00 0.00 N ATOM 368 CA GLU A 27 -2.810 11.153 1.251 1.00 0.00 C ATOM 369 C GLU A 27 -2.721 12.533 0.605 1.00 0.00 C ATOM 370 O GLU A 27 -1.685 12.906 0.056 1.00 0.00 O ATOM 371 CB GLU A 27 -2.468 11.252 2.739 1.00 0.00 C ATOM 372 CG GLU A 27 -3.224 12.350 3.466 1.00 0.00 C ATOM 373 CD GLU A 27 -2.650 12.644 4.838 1.00 0.00 C ATOM 374 OE1 GLU A 27 -2.963 11.895 5.787 1.00 0.00 O ATOM 375 OE2 GLU A 27 -1.885 13.623 4.964 1.00 0.00 O ATOM 0 H GLU A 27 -0.939 10.492 0.575 1.00 0.00 H new ATOM 0 HA GLU A 27 -3.830 10.785 1.145 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -2.684 10.296 3.217 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -1.398 11.427 2.846 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -3.203 13.259 2.865 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -4.270 12.059 3.568 1.00 0.00 H new ATOM 382 N GLN A 28 -3.815 13.285 0.676 1.00 0.00 N ATOM 383 CA GLN A 28 -3.861 14.622 0.098 1.00 0.00 C ATOM 384 C GLN A 28 -4.623 15.582 1.005 1.00 0.00 C ATOM 385 O GLN A 28 -5.664 15.246 1.571 1.00 0.00 O ATOM 386 CB GLN A 28 -4.514 14.581 -1.284 1.00 0.00 C ATOM 387 CG GLN A 28 -4.521 15.925 -1.994 1.00 0.00 C ATOM 388 CD GLN A 28 -5.586 16.011 -3.071 1.00 0.00 C ATOM 389 OE1 GLN A 28 -6.541 16.779 -2.956 1.00 0.00 O ATOM 390 NE2 GLN A 28 -5.425 15.222 -4.126 1.00 0.00 N ATOM 0 H GLN A 28 -4.681 12.991 1.128 1.00 0.00 H new ATOM 0 HA GLN A 28 -2.837 14.982 -0.002 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -3.988 13.855 -1.904 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -5.540 14.228 -1.181 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -4.684 16.717 -1.263 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -3.543 16.101 -2.441 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -4.618 14.601 -4.180 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -6.108 15.237 -4.883 1.00 0.00 H new ATOM 399 N PRO A 29 -4.096 16.807 1.149 1.00 0.00 N ATOM 400 CA PRO A 29 -4.711 17.841 1.987 1.00 0.00 C ATOM 401 C PRO A 29 -6.015 18.365 1.397 1.00 0.00 C ATOM 402 O PRO A 29 -6.054 18.808 0.250 1.00 0.00 O ATOM 403 CB PRO A 29 -3.654 18.948 2.017 1.00 0.00 C ATOM 404 CG PRO A 29 -2.871 18.758 0.765 1.00 0.00 C ATOM 405 CD PRO A 29 -2.858 17.277 0.504 1.00 0.00 C ATOM 0 HA PRO A 29 -4.978 17.461 2.973 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -4.115 19.935 2.049 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -3.018 18.864 2.898 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -3.327 19.296 -0.066 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -1.857 19.143 0.877 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -2.852 17.057 -0.564 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -1.976 16.801 0.932 1.00 0.00 H new ATOM 413 N GLY A 30 -7.082 18.312 2.189 1.00 0.00 N ATOM 414 CA GLY A 30 -8.373 18.785 1.726 1.00 0.00 C ATOM 415 C GLY A 30 -8.844 20.013 2.480 1.00 0.00 C ATOM 416 O GLY A 30 -8.442 21.134 2.168 1.00 0.00 O ATOM 0 H GLY A 30 -7.075 17.950 3.143 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -8.312 19.016 0.663 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -9.110 17.989 1.837 1.00 0.00 H new ATOM 420 N ALA A 31 -9.700 19.804 3.475 1.00 0.00 N ATOM 421 CA ALA A 31 -10.225 20.903 4.275 1.00 0.00 C ATOM 422 C ALA A 31 -10.033 20.639 5.764 1.00 0.00 C ATOM 423 O ALA A 31 -9.183 21.254 6.410 1.00 0.00 O ATOM 424 CB ALA A 31 -11.698 21.126 3.963 1.00 0.00 C ATOM 0 H ALA A 31 -10.045 18.883 3.746 1.00 0.00 H new ATOM 0 HA ALA A 31 -9.669 21.805 4.018 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -12.077 21.950 4.568 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -11.814 21.368 2.907 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -12.259 20.220 4.191 1.00 0.00 H new ATOM 430 N LEU A 32 -10.826 19.721 6.306 1.00 0.00 N ATOM 431 CA LEU A 32 -10.744 19.376 7.720 1.00 0.00 C ATOM 432 C LEU A 32 -9.338 18.913 8.087 1.00 0.00 C ATOM 433 O LEU A 32 -8.820 19.249 9.151 1.00 0.00 O ATOM 434 CB LEU A 32 -11.758 18.282 8.058 1.00 0.00 C ATOM 435 CG LEU A 32 -13.207 18.565 7.665 1.00 0.00 C ATOM 436 CD1 LEU A 32 -13.982 17.265 7.510 1.00 0.00 C ATOM 437 CD2 LEU A 32 -13.874 19.465 8.696 1.00 0.00 C ATOM 0 H LEU A 32 -11.534 19.202 5.786 1.00 0.00 H new ATOM 0 HA LEU A 32 -10.975 20.269 8.300 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -11.444 17.360 7.569 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -11.723 18.101 9.132 1.00 0.00 H new ATOM 0 HG LEU A 32 -13.208 19.082 6.705 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -15.012 17.487 7.230 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -13.518 16.655 6.735 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -13.972 16.721 8.454 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -14.905 19.656 8.399 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -13.861 18.975 9.670 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -13.334 20.410 8.758 1.00 0.00 H new ATOM 449 N GLY A 33 -8.723 18.142 7.195 1.00 0.00 N ATOM 450 CA GLY A 33 -7.381 17.647 7.441 1.00 0.00 C ATOM 451 C GLY A 33 -6.745 17.053 6.200 1.00 0.00 C ATOM 452 O GLY A 33 -5.950 17.709 5.527 1.00 0.00 O ATOM 0 H GLY A 33 -9.130 17.851 6.306 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -6.758 18.462 7.810 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -7.414 16.891 8.226 1.00 0.00 H new ATOM 456 N ALA A 34 -7.093 15.807 5.898 1.00 0.00 N ATOM 457 CA ALA A 34 -6.551 15.125 4.729 1.00 0.00 C ATOM 458 C ALA A 34 -7.334 13.852 4.424 1.00 0.00 C ATOM 459 O ALA A 34 -8.117 13.382 5.249 1.00 0.00 O ATOM 460 CB ALA A 34 -5.079 14.802 4.942 1.00 0.00 C ATOM 0 H ALA A 34 -7.748 15.249 6.446 1.00 0.00 H new ATOM 0 HA ALA A 34 -6.646 15.793 3.873 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -4.687 14.293 4.061 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -4.524 15.726 5.104 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -4.971 14.156 5.813 1.00 0.00 H new ATOM 466 N GLN A 35 -7.117 13.301 3.234 1.00 0.00 N ATOM 467 CA GLN A 35 -7.806 12.084 2.819 1.00 0.00 C ATOM 468 C GLN A 35 -6.839 11.115 2.146 1.00 0.00 C ATOM 469 O GLN A 35 -5.995 11.521 1.347 1.00 0.00 O ATOM 470 CB GLN A 35 -8.955 12.420 1.869 1.00 0.00 C ATOM 471 CG GLN A 35 -10.276 12.672 2.576 1.00 0.00 C ATOM 472 CD GLN A 35 -11.174 13.626 1.813 1.00 0.00 C ATOM 473 OE1 GLN A 35 -10.784 14.752 1.506 1.00 0.00 O ATOM 474 NE2 GLN A 35 -12.386 13.179 1.504 1.00 0.00 N ATOM 0 H GLN A 35 -6.470 13.677 2.541 1.00 0.00 H new ATOM 0 HA GLN A 35 -8.212 11.605 3.710 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -8.689 13.304 1.289 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -9.082 11.600 1.162 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -10.795 11.724 2.716 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -10.081 13.078 3.568 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -12.668 12.238 1.779 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -13.035 13.777 0.992 1.00 0.00 H new ATOM 483 N ILE A 36 -6.969 9.834 2.474 1.00 0.00 N ATOM 484 CA ILE A 36 -6.108 8.808 1.899 1.00 0.00 C ATOM 485 C ILE A 36 -6.843 8.009 0.828 1.00 0.00 C ATOM 486 O ILE A 36 -8.048 8.171 0.635 1.00 0.00 O ATOM 487 CB ILE A 36 -5.588 7.840 2.978 1.00 0.00 C ATOM 488 CG1 ILE A 36 -6.721 7.444 3.928 1.00 0.00 C ATOM 489 CG2 ILE A 36 -4.440 8.474 3.750 1.00 0.00 C ATOM 490 CD1 ILE A 36 -6.440 6.179 4.708 1.00 0.00 C ATOM 0 H ILE A 36 -7.662 9.482 3.135 1.00 0.00 H new ATOM 0 HA ILE A 36 -5.262 9.325 1.447 1.00 0.00 H new ATOM 0 HB ILE A 36 -5.218 6.939 2.489 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -6.900 8.261 4.628 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -7.637 7.311 3.353 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -4.083 7.778 4.509 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -3.627 8.711 3.064 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -4.786 9.389 4.231 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -7.285 5.959 5.361 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -6.290 5.350 4.016 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -5.542 6.315 5.311 1.00 0.00 H new ATOM 502 N LEU A 37 -6.109 7.146 0.134 1.00 0.00 N ATOM 503 CA LEU A 37 -6.692 6.319 -0.918 1.00 0.00 C ATOM 504 C LEU A 37 -6.783 4.862 -0.478 1.00 0.00 C ATOM 505 O LEU A 37 -5.871 4.339 0.167 1.00 0.00 O ATOM 506 CB LEU A 37 -5.860 6.427 -2.197 1.00 0.00 C ATOM 507 CG LEU A 37 -6.152 5.383 -3.277 1.00 0.00 C ATOM 508 CD1 LEU A 37 -7.375 5.781 -4.088 1.00 0.00 C ATOM 509 CD2 LEU A 37 -4.943 5.204 -4.183 1.00 0.00 C ATOM 0 H LEU A 37 -5.110 7.000 0.280 1.00 0.00 H new ATOM 0 HA LEU A 37 -7.700 6.682 -1.116 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -6.015 7.417 -2.625 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -4.806 6.358 -1.928 1.00 0.00 H new ATOM 0 HG LEU A 37 -6.361 4.431 -2.789 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -7.567 5.027 -4.851 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -8.239 5.858 -3.429 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -7.197 6.744 -4.567 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -5.167 4.458 -4.946 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -4.704 6.153 -4.663 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -4.090 4.872 -3.591 1.00 0.00 H new ATOM 521 N LEU A 38 -7.885 4.210 -0.831 1.00 0.00 N ATOM 522 CA LEU A 38 -8.092 2.810 -0.474 1.00 0.00 C ATOM 523 C LEU A 38 -8.673 2.030 -1.648 1.00 0.00 C ATOM 524 O LEU A 38 -9.706 2.404 -2.207 1.00 0.00 O ATOM 525 CB LEU A 38 -9.026 2.705 0.734 1.00 0.00 C ATOM 526 CG LEU A 38 -8.807 1.499 1.647 1.00 0.00 C ATOM 527 CD1 LEU A 38 -7.377 1.475 2.166 1.00 0.00 C ATOM 528 CD2 LEU A 38 -9.796 1.520 2.804 1.00 0.00 C ATOM 0 H LEU A 38 -8.648 4.627 -1.363 1.00 0.00 H new ATOM 0 HA LEU A 38 -7.125 2.378 -0.217 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -8.920 3.611 1.330 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -10.054 2.680 0.372 1.00 0.00 H new ATOM 0 HG LEU A 38 -8.976 0.592 1.066 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -7.240 0.610 2.814 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -6.686 1.412 1.325 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -7.180 2.386 2.731 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -9.626 0.654 3.444 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -9.658 2.433 3.384 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -10.813 1.488 2.414 1.00 0.00 H new ATOM 540 N VAL A 39 -8.005 0.943 -2.018 1.00 0.00 N ATOM 541 CA VAL A 39 -8.455 0.106 -3.125 1.00 0.00 C ATOM 542 C VAL A 39 -8.937 -1.252 -2.627 1.00 0.00 C ATOM 543 O VAL A 39 -8.259 -1.910 -1.838 1.00 0.00 O ATOM 544 CB VAL A 39 -7.336 -0.106 -4.160 1.00 0.00 C ATOM 545 CG1 VAL A 39 -6.908 1.223 -4.765 1.00 0.00 C ATOM 546 CG2 VAL A 39 -6.151 -0.818 -3.525 1.00 0.00 C ATOM 0 H VAL A 39 -7.149 0.620 -1.567 1.00 0.00 H new ATOM 0 HA VAL A 39 -9.284 0.630 -3.601 1.00 0.00 H new ATOM 0 HB VAL A 39 -7.722 -0.735 -4.962 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -6.116 1.053 -5.494 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -7.761 1.690 -5.258 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -6.540 1.880 -3.977 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -5.369 -0.960 -4.271 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -5.763 -0.217 -2.703 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -6.470 -1.789 -3.145 1.00 0.00 H new ATOM 556 N GLN A 40 -10.111 -1.664 -3.093 1.00 0.00 N ATOM 557 CA GLN A 40 -10.684 -2.945 -2.694 1.00 0.00 C ATOM 558 C GLN A 40 -9.910 -4.104 -3.315 1.00 0.00 C ATOM 559 O GLN A 40 -9.199 -3.929 -4.305 1.00 0.00 O ATOM 560 CB GLN A 40 -12.155 -3.020 -3.104 1.00 0.00 C ATOM 561 CG GLN A 40 -12.813 -4.350 -2.771 1.00 0.00 C ATOM 562 CD GLN A 40 -14.314 -4.325 -2.975 1.00 0.00 C ATOM 563 OE1 GLN A 40 -14.819 -4.735 -4.021 1.00 0.00 O ATOM 564 NE2 GLN A 40 -15.040 -3.842 -1.971 1.00 0.00 N ATOM 0 H GLN A 40 -10.684 -1.130 -3.747 1.00 0.00 H new ATOM 0 HA GLN A 40 -10.613 -3.024 -1.609 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -12.703 -2.219 -2.608 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -12.234 -2.844 -4.177 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -12.378 -5.132 -3.394 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -12.595 -4.610 -1.735 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -14.581 -3.513 -1.122 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -16.056 -3.801 -2.050 1.00 0.00 H new ATOM 573 N ARG A 41 -10.054 -5.288 -2.728 1.00 0.00 N ATOM 574 CA ARG A 41 -9.368 -6.474 -3.223 1.00 0.00 C ATOM 575 C ARG A 41 -10.333 -7.386 -3.975 1.00 0.00 C ATOM 576 O ARG A 41 -11.538 -7.399 -3.721 1.00 0.00 O ATOM 577 CB ARG A 41 -8.725 -7.239 -2.064 1.00 0.00 C ATOM 578 CG ARG A 41 -7.523 -6.531 -1.459 1.00 0.00 C ATOM 579 CD ARG A 41 -6.249 -6.842 -2.229 1.00 0.00 C ATOM 580 NE ARG A 41 -6.014 -5.887 -3.308 1.00 0.00 N ATOM 581 CZ ARG A 41 -4.812 -5.631 -3.814 1.00 0.00 C ATOM 582 NH1 ARG A 41 -3.743 -6.256 -3.340 1.00 0.00 N ATOM 583 NH2 ARG A 41 -4.679 -4.748 -4.795 1.00 0.00 N ATOM 0 H ARG A 41 -10.640 -5.451 -1.909 1.00 0.00 H new ATOM 0 HA ARG A 41 -8.588 -6.151 -3.913 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -9.472 -7.398 -1.286 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -8.417 -8.223 -2.416 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -7.696 -5.455 -1.458 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -7.405 -6.836 -0.419 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -5.400 -6.832 -1.545 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -6.312 -7.848 -2.643 1.00 0.00 H new ATOM 0 HE ARG A 41 -6.816 -5.389 -3.695 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -3.842 -6.935 -2.585 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -2.822 -6.058 -3.730 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -5.499 -4.265 -5.161 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -3.756 -4.552 -5.183 1.00 0.00 H new ATOM 698 N LEU A 50 -12.000 -7.152 0.499 1.00 0.00 N ATOM 699 CA LEU A 50 -11.525 -6.341 1.614 1.00 0.00 C ATOM 700 C LEU A 50 -10.812 -5.090 1.113 1.00 0.00 C ATOM 701 O LEU A 50 -10.065 -5.139 0.135 1.00 0.00 O ATOM 702 CB LEU A 50 -10.583 -7.159 2.500 1.00 0.00 C ATOM 703 CG LEU A 50 -11.249 -7.999 3.591 1.00 0.00 C ATOM 704 CD1 LEU A 50 -11.733 -7.113 4.728 1.00 0.00 C ATOM 705 CD2 LEU A 50 -12.401 -8.806 3.013 1.00 0.00 C ATOM 0 HA LEU A 50 -12.390 -6.033 2.201 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -10.002 -7.824 1.861 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -9.878 -6.476 2.974 1.00 0.00 H new ATOM 0 HG LEU A 50 -10.509 -8.693 3.990 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -12.204 -7.729 5.494 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -10.886 -6.581 5.160 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -12.457 -6.393 4.346 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -12.863 -9.398 3.803 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -13.141 -8.129 2.586 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -12.025 -9.470 2.235 1.00 0.00 H new ATOM 717 N TRP A 51 -11.044 -3.971 1.790 1.00 0.00 N ATOM 718 CA TRP A 51 -10.422 -2.707 1.414 1.00 0.00 C ATOM 719 C TRP A 51 -9.075 -2.537 2.106 1.00 0.00 C ATOM 720 O TRP A 51 -8.954 -2.758 3.311 1.00 0.00 O ATOM 721 CB TRP A 51 -11.342 -1.537 1.765 1.00 0.00 C ATOM 722 CG TRP A 51 -12.668 -1.595 1.070 1.00 0.00 C ATOM 723 CD1 TRP A 51 -13.792 -2.241 1.502 1.00 0.00 C ATOM 724 CD2 TRP A 51 -13.008 -0.985 -0.180 1.00 0.00 C ATOM 725 NE1 TRP A 51 -14.810 -2.069 0.594 1.00 0.00 N ATOM 726 CE2 TRP A 51 -14.355 -1.302 -0.445 1.00 0.00 C ATOM 727 CE3 TRP A 51 -12.308 -0.201 -1.099 1.00 0.00 C ATOM 728 CZ2 TRP A 51 -15.011 -0.863 -1.592 1.00 0.00 C ATOM 729 CZ3 TRP A 51 -12.959 0.235 -2.237 1.00 0.00 C ATOM 730 CH2 TRP A 51 -14.300 -0.096 -2.476 1.00 0.00 C ATOM 0 H TRP A 51 -11.658 -3.913 2.602 1.00 0.00 H new ATOM 0 HA TRP A 51 -10.257 -2.718 0.337 1.00 0.00 H new ATOM 0 HB2 TRP A 51 -11.505 -1.523 2.843 1.00 0.00 H new ATOM 0 HB3 TRP A 51 -10.845 -0.602 1.506 1.00 0.00 H new ATOM 0 HD1 TRP A 51 -13.869 -2.803 2.421 1.00 0.00 H new ATOM 0 HE1 TRP A 51 -15.752 -2.451 0.680 1.00 0.00 H new ATOM 0 HE3 TRP A 51 -11.275 0.060 -0.923 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 -16.044 -1.118 -1.778 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 -12.426 0.841 -2.954 1.00 0.00 H new ATOM 0 HH2 TRP A 51 -14.782 0.261 -3.374 1.00 0.00 H new ATOM 741 N GLU A 52 -8.064 -2.141 1.339 1.00 0.00 N ATOM 742 CA GLU A 52 -6.725 -1.942 1.881 1.00 0.00 C ATOM 743 C GLU A 52 -5.889 -1.060 0.957 1.00 0.00 C ATOM 744 O GLU A 52 -6.174 -0.947 -0.236 1.00 0.00 O ATOM 745 CB GLU A 52 -6.028 -3.289 2.086 1.00 0.00 C ATOM 746 CG GLU A 52 -6.156 -4.227 0.898 1.00 0.00 C ATOM 747 CD GLU A 52 -5.249 -5.438 1.011 1.00 0.00 C ATOM 748 OE1 GLU A 52 -5.563 -6.341 1.814 1.00 0.00 O ATOM 749 OE2 GLU A 52 -4.227 -5.481 0.296 1.00 0.00 O ATOM 0 H GLU A 52 -8.147 -1.952 0.340 1.00 0.00 H new ATOM 0 HA GLU A 52 -6.822 -1.441 2.844 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -4.971 -3.115 2.288 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -6.446 -3.774 2.968 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -7.191 -4.559 0.812 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -5.918 -3.684 -0.017 1.00 0.00 H new ATOM 756 N PHE A 53 -4.858 -0.436 1.518 1.00 0.00 N ATOM 757 CA PHE A 53 -3.982 0.437 0.746 1.00 0.00 C ATOM 758 C PHE A 53 -3.386 -0.306 -0.446 1.00 0.00 C ATOM 759 O PHE A 53 -3.114 -1.505 -0.389 1.00 0.00 O ATOM 760 CB PHE A 53 -2.862 0.983 1.633 1.00 0.00 C ATOM 761 CG PHE A 53 -3.355 1.613 2.904 1.00 0.00 C ATOM 762 CD1 PHE A 53 -4.423 2.495 2.885 1.00 0.00 C ATOM 763 CD2 PHE A 53 -2.752 1.323 4.117 1.00 0.00 C ATOM 764 CE1 PHE A 53 -4.881 3.076 4.053 1.00 0.00 C ATOM 765 CE2 PHE A 53 -3.205 1.902 5.287 1.00 0.00 C ATOM 766 CZ PHE A 53 -4.270 2.780 5.255 1.00 0.00 C ATOM 0 H PHE A 53 -4.609 -0.519 2.504 1.00 0.00 H new ATOM 0 HA PHE A 53 -4.578 1.269 0.371 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -2.178 0.171 1.881 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -2.290 1.721 1.070 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -4.903 2.732 1.947 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -1.919 0.637 4.149 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -5.716 3.761 4.025 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -2.726 1.668 6.226 1.00 0.00 H new ATOM 0 HZ PHE A 53 -4.624 3.234 6.168 1.00 0.00 H new ATOM 776 N PRO A 54 -3.179 0.422 -1.553 1.00 0.00 N ATOM 777 CA PRO A 54 -2.615 -0.146 -2.781 1.00 0.00 C ATOM 778 C PRO A 54 -1.141 -0.510 -2.627 1.00 0.00 C ATOM 779 O PRO A 54 -0.390 0.184 -1.943 1.00 0.00 O ATOM 780 CB PRO A 54 -2.783 0.980 -3.803 1.00 0.00 C ATOM 781 CG PRO A 54 -2.820 2.228 -2.991 1.00 0.00 C ATOM 782 CD PRO A 54 -3.481 1.857 -1.692 1.00 0.00 C ATOM 0 HA PRO A 54 -3.110 -1.075 -3.065 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -1.957 0.995 -4.514 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -3.699 0.857 -4.381 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -1.815 2.613 -2.821 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -3.379 3.011 -3.504 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -3.081 2.434 -0.858 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -4.555 2.041 -1.721 1.00 0.00 H new ATOM 790 N SER A 55 -0.736 -1.602 -3.267 1.00 0.00 N ATOM 791 CA SER A 55 0.647 -2.059 -3.197 1.00 0.00 C ATOM 792 C SER A 55 1.076 -2.693 -4.516 1.00 0.00 C ATOM 793 O SER A 55 0.240 -3.087 -5.331 1.00 0.00 O ATOM 794 CB SER A 55 0.817 -3.064 -2.057 1.00 0.00 C ATOM 795 OG SER A 55 0.487 -4.376 -2.479 1.00 0.00 O ATOM 0 H SER A 55 -1.345 -2.186 -3.839 1.00 0.00 H new ATOM 0 HA SER A 55 1.281 -1.193 -3.006 1.00 0.00 H new ATOM 0 HB2 SER A 55 1.846 -3.042 -1.699 1.00 0.00 H new ATOM 0 HB3 SER A 55 0.182 -2.778 -1.218 1.00 0.00 H new ATOM 0 HG SER A 55 0.606 -4.999 -1.732 1.00 0.00 H new ATOM 801 N VAL A 56 2.386 -2.787 -4.722 1.00 0.00 N ATOM 802 CA VAL A 56 2.927 -3.375 -5.942 1.00 0.00 C ATOM 803 C VAL A 56 3.881 -4.521 -5.624 1.00 0.00 C ATOM 804 O VAL A 56 4.169 -4.800 -4.459 1.00 0.00 O ATOM 805 CB VAL A 56 3.671 -2.323 -6.788 1.00 0.00 C ATOM 806 CG1 VAL A 56 2.803 -1.091 -6.992 1.00 0.00 C ATOM 807 CG2 VAL A 56 4.994 -1.952 -6.134 1.00 0.00 C ATOM 0 H VAL A 56 3.092 -2.464 -4.060 1.00 0.00 H new ATOM 0 HA VAL A 56 2.081 -3.758 -6.512 1.00 0.00 H new ATOM 0 HB VAL A 56 3.884 -2.753 -7.766 1.00 0.00 H new ATOM 0 HG11 VAL A 56 3.345 -0.359 -7.591 1.00 0.00 H new ATOM 0 HG12 VAL A 56 1.885 -1.374 -7.507 1.00 0.00 H new ATOM 0 HG13 VAL A 56 2.556 -0.655 -6.024 1.00 0.00 H new ATOM 0 HG21 VAL A 56 5.506 -1.208 -6.745 1.00 0.00 H new ATOM 0 HG22 VAL A 56 4.807 -1.540 -5.142 1.00 0.00 H new ATOM 0 HG23 VAL A 56 5.618 -2.841 -6.046 1.00 0.00 H new ATOM 817 N THR A 57 4.369 -5.184 -6.668 1.00 0.00 N ATOM 818 CA THR A 57 5.289 -6.302 -6.500 1.00 0.00 C ATOM 819 C THR A 57 6.547 -5.872 -5.755 1.00 0.00 C ATOM 820 O THR A 57 7.121 -4.821 -6.042 1.00 0.00 O ATOM 821 CB THR A 57 5.693 -6.906 -7.859 1.00 0.00 C ATOM 822 OG1 THR A 57 5.991 -5.860 -8.790 1.00 0.00 O ATOM 823 CG2 THR A 57 4.580 -7.783 -8.412 1.00 0.00 C ATOM 0 H THR A 57 4.142 -4.966 -7.638 1.00 0.00 H new ATOM 0 HA THR A 57 4.764 -7.058 -5.916 1.00 0.00 H new ATOM 0 HB THR A 57 6.580 -7.522 -7.710 1.00 0.00 H new ATOM 0 HG1 THR A 57 6.249 -6.252 -9.651 1.00 0.00 H new ATOM 0 HG21 THR A 57 4.887 -8.199 -9.372 1.00 0.00 H new ATOM 0 HG22 THR A 57 4.375 -8.595 -7.714 1.00 0.00 H new ATOM 0 HG23 THR A 57 3.679 -7.185 -8.547 1.00 0.00 H new ATOM 831 N TRP A 58 6.971 -6.689 -4.797 1.00 0.00 N ATOM 832 CA TRP A 58 8.162 -6.391 -4.010 1.00 0.00 C ATOM 833 C TRP A 58 9.393 -6.293 -4.904 1.00 0.00 C ATOM 834 O TRP A 58 9.366 -6.709 -6.061 1.00 0.00 O ATOM 835 CB TRP A 58 8.375 -7.467 -2.944 1.00 0.00 C ATOM 836 CG TRP A 58 9.620 -7.261 -2.135 1.00 0.00 C ATOM 837 CD1 TRP A 58 9.790 -6.388 -1.099 1.00 0.00 C ATOM 838 CD2 TRP A 58 10.869 -7.942 -2.297 1.00 0.00 C ATOM 839 NE1 TRP A 58 11.069 -6.485 -0.607 1.00 0.00 N ATOM 840 CE2 TRP A 58 11.751 -7.432 -1.324 1.00 0.00 C ATOM 841 CE3 TRP A 58 11.328 -8.935 -3.167 1.00 0.00 C ATOM 842 CZ2 TRP A 58 13.064 -7.880 -1.201 1.00 0.00 C ATOM 843 CZ3 TRP A 58 12.631 -9.378 -3.044 1.00 0.00 C ATOM 844 CH2 TRP A 58 13.486 -8.852 -2.066 1.00 0.00 C ATOM 0 H TRP A 58 6.508 -7.563 -4.547 1.00 0.00 H new ATOM 0 HA TRP A 58 8.014 -5.429 -3.520 1.00 0.00 H new ATOM 0 HB2 TRP A 58 7.514 -7.482 -2.276 1.00 0.00 H new ATOM 0 HB3 TRP A 58 8.421 -8.443 -3.427 1.00 0.00 H new ATOM 0 HD1 TRP A 58 9.030 -5.719 -0.722 1.00 0.00 H new ATOM 0 HE1 TRP A 58 11.449 -5.940 0.167 1.00 0.00 H new ATOM 0 HE3 TRP A 58 10.676 -9.349 -3.922 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 13.725 -7.474 -0.450 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 12.997 -10.143 -3.713 1.00 0.00 H new ATOM 0 HH2 TRP A 58 14.498 -9.221 -1.994 1.00 0.00 H new ATOM 855 N GLU A 59 10.473 -5.741 -4.359 1.00 0.00 N ATOM 856 CA GLU A 59 11.714 -5.588 -5.110 1.00 0.00 C ATOM 857 C GLU A 59 12.924 -5.683 -4.184 1.00 0.00 C ATOM 858 O GLU A 59 12.927 -5.164 -3.068 1.00 0.00 O ATOM 859 CB GLU A 59 11.728 -4.249 -5.848 1.00 0.00 C ATOM 860 CG GLU A 59 10.820 -4.216 -7.066 1.00 0.00 C ATOM 861 CD GLU A 59 11.384 -4.999 -8.235 1.00 0.00 C ATOM 862 OE1 GLU A 59 11.846 -6.139 -8.019 1.00 0.00 O ATOM 863 OE2 GLU A 59 11.362 -4.472 -9.368 1.00 0.00 O ATOM 0 H GLU A 59 10.514 -5.393 -3.401 1.00 0.00 H new ATOM 0 HA GLU A 59 11.770 -6.397 -5.839 1.00 0.00 H new ATOM 0 HB2 GLU A 59 11.426 -3.461 -5.159 1.00 0.00 H new ATOM 0 HB3 GLU A 59 12.748 -4.026 -6.160 1.00 0.00 H new ATOM 0 HG2 GLU A 59 9.844 -4.622 -6.798 1.00 0.00 H new ATOM 0 HG3 GLU A 59 10.662 -3.181 -7.369 1.00 0.00 H new ATOM 870 N PRO A 60 13.978 -6.366 -4.658 1.00 0.00 N ATOM 871 CA PRO A 60 15.213 -6.546 -3.890 1.00 0.00 C ATOM 872 C PRO A 60 15.997 -5.247 -3.739 1.00 0.00 C ATOM 873 O PRO A 60 16.870 -5.133 -2.878 1.00 0.00 O ATOM 874 CB PRO A 60 16.005 -7.554 -4.726 1.00 0.00 C ATOM 875 CG PRO A 60 15.496 -7.380 -6.115 1.00 0.00 C ATOM 876 CD PRO A 60 14.044 -7.012 -5.979 1.00 0.00 C ATOM 0 HA PRO A 60 15.015 -6.878 -2.871 1.00 0.00 H new ATOM 0 HB2 PRO A 60 17.076 -7.359 -4.670 1.00 0.00 H new ATOM 0 HB3 PRO A 60 15.847 -8.573 -4.372 1.00 0.00 H new ATOM 0 HG2 PRO A 60 16.049 -6.600 -6.639 1.00 0.00 H new ATOM 0 HG3 PRO A 60 15.614 -8.297 -6.692 1.00 0.00 H new ATOM 0 HD2 PRO A 60 13.725 -6.337 -6.773 1.00 0.00 H new ATOM 0 HD3 PRO A 60 13.400 -7.890 -6.029 1.00 0.00 H new ATOM 884 N SER A 61 15.680 -4.269 -4.582 1.00 0.00 N ATOM 885 CA SER A 61 16.358 -2.978 -4.544 1.00 0.00 C ATOM 886 C SER A 61 15.474 -1.919 -3.893 1.00 0.00 C ATOM 887 O SER A 61 14.249 -2.038 -3.886 1.00 0.00 O ATOM 888 CB SER A 61 16.742 -2.538 -5.958 1.00 0.00 C ATOM 889 OG SER A 61 17.890 -1.707 -5.940 1.00 0.00 O ATOM 0 H SER A 61 14.959 -4.346 -5.299 1.00 0.00 H new ATOM 0 HA SER A 61 17.263 -3.088 -3.947 1.00 0.00 H new ATOM 0 HB2 SER A 61 16.934 -3.415 -6.576 1.00 0.00 H new ATOM 0 HB3 SER A 61 15.909 -2.003 -6.414 1.00 0.00 H new ATOM 0 HG SER A 61 18.116 -1.441 -6.856 1.00 0.00 H new ATOM 895 N GLU A 62 16.104 -0.884 -3.346 1.00 0.00 N ATOM 896 CA GLU A 62 15.375 0.196 -2.692 1.00 0.00 C ATOM 897 C GLU A 62 14.785 1.156 -3.721 1.00 0.00 C ATOM 898 O GLU A 62 13.811 1.855 -3.443 1.00 0.00 O ATOM 899 CB GLU A 62 16.297 0.957 -1.736 1.00 0.00 C ATOM 900 CG GLU A 62 15.552 1.833 -0.743 1.00 0.00 C ATOM 901 CD GLU A 62 16.456 2.848 -0.069 1.00 0.00 C ATOM 902 OE1 GLU A 62 17.101 2.492 0.940 1.00 0.00 O ATOM 903 OE2 GLU A 62 16.518 3.998 -0.551 1.00 0.00 O ATOM 0 H GLU A 62 17.118 -0.771 -3.343 1.00 0.00 H new ATOM 0 HA GLU A 62 14.557 -0.245 -2.122 1.00 0.00 H new ATOM 0 HB2 GLU A 62 16.910 0.241 -1.188 1.00 0.00 H new ATOM 0 HB3 GLU A 62 16.977 1.579 -2.318 1.00 0.00 H new ATOM 0 HG2 GLU A 62 14.746 2.355 -1.258 1.00 0.00 H new ATOM 0 HG3 GLU A 62 15.089 1.203 0.017 1.00 0.00 H new ATOM 910 N GLN A 63 15.384 1.184 -4.907 1.00 0.00 N ATOM 911 CA GLN A 63 14.918 2.059 -5.976 1.00 0.00 C ATOM 912 C GLN A 63 13.817 1.387 -6.788 1.00 0.00 C ATOM 913 O GLN A 63 12.768 1.981 -7.044 1.00 0.00 O ATOM 914 CB GLN A 63 16.083 2.442 -6.893 1.00 0.00 C ATOM 915 CG GLN A 63 15.663 3.278 -8.091 1.00 0.00 C ATOM 916 CD GLN A 63 16.824 4.024 -8.718 1.00 0.00 C ATOM 917 OE1 GLN A 63 17.978 3.835 -8.333 1.00 0.00 O ATOM 918 NE2 GLN A 63 16.524 4.877 -9.690 1.00 0.00 N ATOM 0 H GLN A 63 16.192 0.612 -5.152 1.00 0.00 H new ATOM 0 HA GLN A 63 14.509 2.962 -5.521 1.00 0.00 H new ATOM 0 HB2 GLN A 63 16.823 2.996 -6.315 1.00 0.00 H new ATOM 0 HB3 GLN A 63 16.570 1.533 -7.247 1.00 0.00 H new ATOM 0 HG2 GLN A 63 15.206 2.630 -8.839 1.00 0.00 H new ATOM 0 HG3 GLN A 63 14.901 3.993 -7.781 1.00 0.00 H new ATOM 0 HE21 GLN A 63 15.553 5.002 -9.977 1.00 0.00 H new ATOM 0 HE22 GLN A 63 17.264 5.407 -10.150 1.00 0.00 H new ATOM 927 N LEU A 64 14.060 0.145 -7.192 1.00 0.00 N ATOM 928 CA LEU A 64 13.087 -0.608 -7.977 1.00 0.00 C ATOM 929 C LEU A 64 11.746 -0.685 -7.254 1.00 0.00 C ATOM 930 O LEU A 64 10.689 -0.678 -7.885 1.00 0.00 O ATOM 931 CB LEU A 64 13.611 -2.019 -8.256 1.00 0.00 C ATOM 932 CG LEU A 64 14.640 -2.143 -9.379 1.00 0.00 C ATOM 933 CD1 LEU A 64 15.662 -1.019 -9.292 1.00 0.00 C ATOM 934 CD2 LEU A 64 15.330 -3.498 -9.322 1.00 0.00 C ATOM 0 H LEU A 64 14.922 -0.362 -6.989 1.00 0.00 H new ATOM 0 HA LEU A 64 12.939 -0.088 -8.923 1.00 0.00 H new ATOM 0 HB2 LEU A 64 14.055 -2.408 -7.339 1.00 0.00 H new ATOM 0 HB3 LEU A 64 12.762 -2.659 -8.496 1.00 0.00 H new ATOM 0 HG LEU A 64 14.120 -2.062 -10.334 1.00 0.00 H new ATOM 0 HD11 LEU A 64 16.387 -1.123 -10.099 1.00 0.00 H new ATOM 0 HD12 LEU A 64 15.155 -0.058 -9.381 1.00 0.00 H new ATOM 0 HD13 LEU A 64 16.177 -1.069 -8.333 1.00 0.00 H new ATOM 0 HD21 LEU A 64 16.059 -3.569 -10.129 1.00 0.00 H new ATOM 0 HD22 LEU A 64 15.837 -3.608 -8.363 1.00 0.00 H new ATOM 0 HD23 LEU A 64 14.588 -4.289 -9.433 1.00 0.00 H new ATOM 946 N GLN A 65 11.797 -0.755 -5.928 1.00 0.00 N ATOM 947 CA GLN A 65 10.586 -0.830 -5.120 1.00 0.00 C ATOM 948 C GLN A 65 9.718 0.407 -5.325 1.00 0.00 C ATOM 949 O GLN A 65 8.539 0.300 -5.662 1.00 0.00 O ATOM 950 CB GLN A 65 10.944 -0.977 -3.640 1.00 0.00 C ATOM 951 CG GLN A 65 9.804 -1.516 -2.790 1.00 0.00 C ATOM 952 CD GLN A 65 9.303 -2.863 -3.272 1.00 0.00 C ATOM 953 OE1 GLN A 65 9.721 -3.908 -2.773 1.00 0.00 O ATOM 954 NE2 GLN A 65 8.401 -2.846 -4.246 1.00 0.00 N ATOM 0 H GLN A 65 12.664 -0.761 -5.390 1.00 0.00 H new ATOM 0 HA GLN A 65 10.020 -1.705 -5.438 1.00 0.00 H new ATOM 0 HB2 GLN A 65 11.802 -1.642 -3.546 1.00 0.00 H new ATOM 0 HB3 GLN A 65 11.249 -0.006 -3.250 1.00 0.00 H new ATOM 0 HG2 GLN A 65 10.138 -1.605 -1.756 1.00 0.00 H new ATOM 0 HG3 GLN A 65 8.980 -0.802 -2.799 1.00 0.00 H new ATOM 0 HE21 GLN A 65 8.082 -1.957 -4.631 1.00 0.00 H new ATOM 0 HE22 GLN A 65 8.027 -3.722 -4.610 1.00 0.00 H new ATOM 963 N ARG A 66 10.307 1.579 -5.119 1.00 0.00 N ATOM 964 CA ARG A 66 9.587 2.836 -5.278 1.00 0.00 C ATOM 965 C ARG A 66 9.134 3.024 -6.724 1.00 0.00 C ATOM 966 O ARG A 66 8.036 3.515 -6.984 1.00 0.00 O ATOM 967 CB ARG A 66 10.468 4.012 -4.852 1.00 0.00 C ATOM 968 CG ARG A 66 10.960 3.915 -3.417 1.00 0.00 C ATOM 969 CD ARG A 66 12.011 4.972 -3.116 1.00 0.00 C ATOM 970 NE ARG A 66 11.611 6.294 -3.594 1.00 0.00 N ATOM 971 CZ ARG A 66 12.376 7.374 -3.492 1.00 0.00 C ATOM 972 NH1 ARG A 66 13.575 7.292 -2.933 1.00 0.00 N ATOM 973 NH2 ARG A 66 11.942 8.542 -3.951 1.00 0.00 N ATOM 0 H ARG A 66 11.283 1.685 -4.841 1.00 0.00 H new ATOM 0 HA ARG A 66 8.704 2.803 -4.639 1.00 0.00 H new ATOM 0 HB2 ARG A 66 11.328 4.071 -5.519 1.00 0.00 H new ATOM 0 HB3 ARG A 66 9.906 4.938 -4.973 1.00 0.00 H new ATOM 0 HG2 ARG A 66 10.119 4.032 -2.734 1.00 0.00 H new ATOM 0 HG3 ARG A 66 11.378 2.924 -3.241 1.00 0.00 H new ATOM 0 HD2 ARG A 66 12.186 5.013 -2.041 1.00 0.00 H new ATOM 0 HD3 ARG A 66 12.954 4.688 -3.582 1.00 0.00 H new ATOM 0 HE ARG A 66 10.694 6.392 -4.030 1.00 0.00 H new ATOM 0 HH11 ARG A 66 13.913 6.397 -2.579 1.00 0.00 H new ATOM 0 HH12 ARG A 66 14.160 8.124 -2.856 1.00 0.00 H new ATOM 0 HH21 ARG A 66 11.020 8.610 -4.382 1.00 0.00 H new ATOM 0 HH22 ARG A 66 12.530 9.371 -3.872 1.00 0.00 H new ATOM 987 N LYS A 67 9.989 2.628 -7.661 1.00 0.00 N ATOM 988 CA LYS A 67 9.679 2.750 -9.080 1.00 0.00 C ATOM 989 C LYS A 67 8.302 2.171 -9.389 1.00 0.00 C ATOM 990 O LYS A 67 7.388 2.895 -9.781 1.00 0.00 O ATOM 991 CB LYS A 67 10.744 2.039 -9.920 1.00 0.00 C ATOM 992 CG LYS A 67 12.011 2.852 -10.111 1.00 0.00 C ATOM 993 CD LYS A 67 12.688 2.528 -11.432 1.00 0.00 C ATOM 994 CE LYS A 67 13.164 1.085 -11.476 1.00 0.00 C ATOM 995 NZ LYS A 67 14.132 0.853 -12.584 1.00 0.00 N ATOM 0 H LYS A 67 10.902 2.220 -7.463 1.00 0.00 H new ATOM 0 HA LYS A 67 9.673 3.810 -9.334 1.00 0.00 H new ATOM 0 HB2 LYS A 67 10.998 1.092 -9.443 1.00 0.00 H new ATOM 0 HB3 LYS A 67 10.324 1.801 -10.897 1.00 0.00 H new ATOM 0 HG2 LYS A 67 11.771 3.915 -10.075 1.00 0.00 H new ATOM 0 HG3 LYS A 67 12.699 2.653 -9.290 1.00 0.00 H new ATOM 0 HD2 LYS A 67 11.993 2.708 -12.252 1.00 0.00 H new ATOM 0 HD3 LYS A 67 13.536 3.196 -11.581 1.00 0.00 H new ATOM 0 HE2 LYS A 67 13.632 0.828 -10.526 1.00 0.00 H new ATOM 0 HE3 LYS A 67 12.306 0.423 -11.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 14.432 -0.143 -12.580 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 13.678 1.074 -13.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 14.962 1.466 -12.454 1.00 0.00 H new ATOM 1009 N ALA A 68 8.162 0.862 -9.208 1.00 0.00 N ATOM 1010 CA ALA A 68 6.896 0.187 -9.463 1.00 0.00 C ATOM 1011 C ALA A 68 5.808 0.686 -8.518 1.00 0.00 C ATOM 1012 O ALA A 68 4.646 0.820 -8.907 1.00 0.00 O ATOM 1013 CB ALA A 68 7.065 -1.319 -9.329 1.00 0.00 C ATOM 0 H ALA A 68 8.910 0.248 -8.886 1.00 0.00 H new ATOM 0 HA ALA A 68 6.588 0.417 -10.483 1.00 0.00 H new ATOM 0 HB1 ALA A 68 6.112 -1.811 -9.522 1.00 0.00 H new ATOM 0 HB2 ALA A 68 7.805 -1.668 -10.049 1.00 0.00 H new ATOM 0 HB3 ALA A 68 7.399 -1.559 -8.320 1.00 0.00 H new ATOM 1019 N LEU A 69 6.189 0.956 -7.275 1.00 0.00 N ATOM 1020 CA LEU A 69 5.245 1.439 -6.273 1.00 0.00 C ATOM 1021 C LEU A 69 4.338 2.520 -6.855 1.00 0.00 C ATOM 1022 O LEU A 69 3.118 2.361 -6.903 1.00 0.00 O ATOM 1023 CB LEU A 69 5.997 1.988 -5.058 1.00 0.00 C ATOM 1024 CG LEU A 69 5.132 2.421 -3.874 1.00 0.00 C ATOM 1025 CD1 LEU A 69 4.155 1.319 -3.495 1.00 0.00 C ATOM 1026 CD2 LEU A 69 6.005 2.795 -2.684 1.00 0.00 C ATOM 0 H LEU A 69 7.145 0.849 -6.936 1.00 0.00 H new ATOM 0 HA LEU A 69 4.624 0.600 -5.960 1.00 0.00 H new ATOM 0 HB2 LEU A 69 6.695 1.225 -4.713 1.00 0.00 H new ATOM 0 HB3 LEU A 69 6.592 2.843 -5.380 1.00 0.00 H new ATOM 0 HG LEU A 69 4.559 3.300 -4.170 1.00 0.00 H new ATOM 0 HD11 LEU A 69 3.548 1.645 -2.651 1.00 0.00 H new ATOM 0 HD12 LEU A 69 3.507 1.099 -4.344 1.00 0.00 H new ATOM 0 HD13 LEU A 69 4.708 0.421 -3.219 1.00 0.00 H new ATOM 0 HD21 LEU A 69 5.373 3.101 -1.851 1.00 0.00 H new ATOM 0 HD22 LEU A 69 6.605 1.934 -2.388 1.00 0.00 H new ATOM 0 HD23 LEU A 69 6.664 3.618 -2.960 1.00 0.00 H new ATOM 1038 N LEU A 70 4.943 3.617 -7.297 1.00 0.00 N ATOM 1039 CA LEU A 70 4.190 4.723 -7.879 1.00 0.00 C ATOM 1040 C LEU A 70 3.470 4.282 -9.149 1.00 0.00 C ATOM 1041 O LEU A 70 2.279 4.542 -9.319 1.00 0.00 O ATOM 1042 CB LEU A 70 5.125 5.893 -8.189 1.00 0.00 C ATOM 1043 CG LEU A 70 5.843 6.515 -6.991 1.00 0.00 C ATOM 1044 CD1 LEU A 70 6.886 7.520 -7.456 1.00 0.00 C ATOM 1045 CD2 LEU A 70 4.843 7.176 -6.054 1.00 0.00 C ATOM 0 H LEU A 70 5.952 3.765 -7.264 1.00 0.00 H new ATOM 0 HA LEU A 70 3.443 5.045 -7.153 1.00 0.00 H new ATOM 0 HB2 LEU A 70 5.877 5.552 -8.901 1.00 0.00 H new ATOM 0 HB3 LEU A 70 4.547 6.672 -8.685 1.00 0.00 H new ATOM 0 HG LEU A 70 6.352 5.721 -6.445 1.00 0.00 H new ATOM 0 HD11 LEU A 70 7.387 7.952 -6.590 1.00 0.00 H new ATOM 0 HD12 LEU A 70 7.620 7.017 -8.086 1.00 0.00 H new ATOM 0 HD13 LEU A 70 6.400 8.311 -8.026 1.00 0.00 H new ATOM 0 HD21 LEU A 70 5.372 7.613 -5.207 1.00 0.00 H new ATOM 0 HD22 LEU A 70 4.305 7.959 -6.589 1.00 0.00 H new ATOM 0 HD23 LEU A 70 4.134 6.430 -5.693 1.00 0.00 H new ATOM 1057 N GLN A 71 4.199 3.613 -10.036 1.00 0.00 N ATOM 1058 CA GLN A 71 3.627 3.136 -11.289 1.00 0.00 C ATOM 1059 C GLN A 71 2.177 2.705 -11.097 1.00 0.00 C ATOM 1060 O GLN A 71 1.330 2.942 -11.958 1.00 0.00 O ATOM 1061 CB GLN A 71 4.450 1.968 -11.838 1.00 0.00 C ATOM 1062 CG GLN A 71 5.577 2.400 -12.762 1.00 0.00 C ATOM 1063 CD GLN A 71 5.084 3.209 -13.945 1.00 0.00 C ATOM 1064 OE1 GLN A 71 4.336 2.709 -14.786 1.00 0.00 O ATOM 1065 NE2 GLN A 71 5.500 4.467 -14.016 1.00 0.00 N ATOM 0 H GLN A 71 5.186 3.389 -9.910 1.00 0.00 H new ATOM 0 HA GLN A 71 3.651 3.957 -12.005 1.00 0.00 H new ATOM 0 HB2 GLN A 71 4.870 1.407 -11.004 1.00 0.00 H new ATOM 0 HB3 GLN A 71 3.789 1.290 -12.377 1.00 0.00 H new ATOM 0 HG2 GLN A 71 6.298 2.991 -12.198 1.00 0.00 H new ATOM 0 HG3 GLN A 71 6.103 1.517 -13.125 1.00 0.00 H new ATOM 0 HE21 GLN A 71 6.120 4.841 -13.297 1.00 0.00 H new ATOM 0 HE22 GLN A 71 5.200 5.060 -14.790 1.00 0.00 H new ATOM 1074 N GLU A 72 1.898 2.070 -9.962 1.00 0.00 N ATOM 1075 CA GLU A 72 0.551 1.605 -9.660 1.00 0.00 C ATOM 1076 C GLU A 72 -0.321 2.752 -9.158 1.00 0.00 C ATOM 1077 O GLU A 72 -1.399 3.009 -9.694 1.00 0.00 O ATOM 1078 CB GLU A 72 0.595 0.489 -8.614 1.00 0.00 C ATOM 1079 CG GLU A 72 -0.778 -0.032 -8.220 1.00 0.00 C ATOM 1080 CD GLU A 72 -1.279 -1.118 -9.152 1.00 0.00 C ATOM 1081 OE1 GLU A 72 -0.816 -2.270 -9.022 1.00 0.00 O ATOM 1082 OE2 GLU A 72 -2.134 -0.816 -10.010 1.00 0.00 O ATOM 0 H GLU A 72 2.587 1.867 -9.238 1.00 0.00 H new ATOM 0 HA GLU A 72 0.115 1.215 -10.580 1.00 0.00 H new ATOM 0 HB2 GLU A 72 1.190 -0.338 -9.002 1.00 0.00 H new ATOM 0 HB3 GLU A 72 1.104 0.858 -7.723 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -0.736 -0.422 -7.203 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -1.489 0.794 -8.216 1.00 0.00 H new ATOM 1089 N LEU A 73 0.154 3.440 -8.125 1.00 0.00 N ATOM 1090 CA LEU A 73 -0.580 4.561 -7.548 1.00 0.00 C ATOM 1091 C LEU A 73 -1.174 5.444 -8.643 1.00 0.00 C ATOM 1092 O LEU A 73 -2.358 5.776 -8.610 1.00 0.00 O ATOM 1093 CB LEU A 73 0.339 5.391 -6.651 1.00 0.00 C ATOM 1094 CG LEU A 73 0.585 4.836 -5.247 1.00 0.00 C ATOM 1095 CD1 LEU A 73 1.624 5.673 -4.516 1.00 0.00 C ATOM 1096 CD2 LEU A 73 -0.715 4.786 -4.457 1.00 0.00 C ATOM 0 H LEU A 73 1.045 3.241 -7.670 1.00 0.00 H new ATOM 0 HA LEU A 73 -1.396 4.159 -6.948 1.00 0.00 H new ATOM 0 HB2 LEU A 73 1.301 5.499 -7.151 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -0.085 6.391 -6.556 1.00 0.00 H new ATOM 0 HG LEU A 73 0.968 3.820 -5.341 1.00 0.00 H new ATOM 0 HD11 LEU A 73 1.786 5.263 -3.519 1.00 0.00 H new ATOM 0 HD12 LEU A 73 2.561 5.656 -5.072 1.00 0.00 H new ATOM 0 HD13 LEU A 73 1.270 6.701 -4.433 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -0.520 4.389 -3.461 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -1.128 5.791 -4.372 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -1.429 4.142 -4.971 1.00 0.00 H new ATOM 1108 N GLN A 74 -0.342 5.816 -9.610 1.00 0.00 N ATOM 1109 CA GLN A 74 -0.785 6.659 -10.714 1.00 0.00 C ATOM 1110 C GLN A 74 -2.055 6.102 -11.349 1.00 0.00 C ATOM 1111 O GLN A 74 -2.998 6.843 -11.628 1.00 0.00 O ATOM 1112 CB GLN A 74 0.317 6.776 -11.769 1.00 0.00 C ATOM 1113 CG GLN A 74 1.637 7.288 -11.216 1.00 0.00 C ATOM 1114 CD GLN A 74 2.811 6.965 -12.118 1.00 0.00 C ATOM 1115 OE1 GLN A 74 2.653 6.799 -13.327 1.00 0.00 O ATOM 1116 NE2 GLN A 74 4.000 6.874 -11.533 1.00 0.00 N ATOM 0 H GLN A 74 0.641 5.547 -9.652 1.00 0.00 H new ATOM 0 HA GLN A 74 -1.004 7.650 -10.316 1.00 0.00 H new ATOM 0 HB2 GLN A 74 0.478 5.799 -12.224 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -0.019 7.445 -12.561 1.00 0.00 H new ATOM 0 HG2 GLN A 74 1.575 8.368 -11.079 1.00 0.00 H new ATOM 0 HG3 GLN A 74 1.808 6.851 -10.232 1.00 0.00 H new ATOM 0 HE21 GLN A 74 4.086 7.019 -10.527 1.00 0.00 H new ATOM 0 HE22 GLN A 74 4.827 6.659 -12.090 1.00 0.00 H new ATOM 1125 N ARG A 75 -2.074 4.792 -11.574 1.00 0.00 N ATOM 1126 CA ARG A 75 -3.227 4.136 -12.176 1.00 0.00 C ATOM 1127 C ARG A 75 -4.509 4.499 -11.431 1.00 0.00 C ATOM 1128 O ARG A 75 -5.582 4.587 -12.029 1.00 0.00 O ATOM 1129 CB ARG A 75 -3.036 2.618 -12.175 1.00 0.00 C ATOM 1130 CG ARG A 75 -1.657 2.177 -12.639 1.00 0.00 C ATOM 1131 CD ARG A 75 -1.647 0.712 -13.044 1.00 0.00 C ATOM 1132 NE ARG A 75 -2.645 0.420 -14.069 1.00 0.00 N ATOM 1133 CZ ARG A 75 -2.880 -0.798 -14.540 1.00 0.00 C ATOM 1134 NH1 ARG A 75 -2.192 -1.835 -14.081 1.00 0.00 N ATOM 1135 NH2 ARG A 75 -3.805 -0.984 -15.473 1.00 0.00 N ATOM 0 H ARG A 75 -1.303 4.164 -11.348 1.00 0.00 H new ATOM 0 HA ARG A 75 -3.314 4.483 -13.206 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -3.209 2.239 -11.168 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -3.789 2.165 -12.820 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -1.343 2.791 -13.483 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -0.934 2.339 -11.840 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -0.657 0.446 -13.415 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -1.836 0.092 -12.167 1.00 0.00 H new ATOM 0 HE ARG A 75 -3.192 1.195 -14.444 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -1.480 -1.697 -13.364 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -2.375 -2.770 -14.445 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -4.337 -0.190 -15.829 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -3.984 -1.921 -15.834 1.00 0.00 H new ATOM 1149 N TRP A 76 -4.389 4.706 -10.125 1.00 0.00 N ATOM 1150 CA TRP A 76 -5.538 5.057 -9.299 1.00 0.00 C ATOM 1151 C TRP A 76 -5.799 6.559 -9.340 1.00 0.00 C ATOM 1152 O TRP A 76 -6.774 7.013 -9.936 1.00 0.00 O ATOM 1153 CB TRP A 76 -5.312 4.606 -7.855 1.00 0.00 C ATOM 1154 CG TRP A 76 -5.095 3.129 -7.722 1.00 0.00 C ATOM 1155 CD1 TRP A 76 -3.915 2.494 -7.458 1.00 0.00 C ATOM 1156 CD2 TRP A 76 -6.085 2.102 -7.848 1.00 0.00 C ATOM 1157 NE1 TRP A 76 -4.111 1.135 -7.413 1.00 0.00 N ATOM 1158 CE2 TRP A 76 -5.435 0.869 -7.648 1.00 0.00 C ATOM 1159 CE3 TRP A 76 -7.458 2.105 -8.108 1.00 0.00 C ATOM 1160 CZ2 TRP A 76 -6.110 -0.347 -7.702 1.00 0.00 C ATOM 1161 CZ3 TRP A 76 -8.128 0.897 -8.162 1.00 0.00 C ATOM 1162 CH2 TRP A 76 -7.454 -0.315 -7.959 1.00 0.00 C ATOM 0 H TRP A 76 -3.508 4.637 -9.615 1.00 0.00 H new ATOM 0 HA TRP A 76 -6.412 4.544 -9.700 1.00 0.00 H new ATOM 0 HB2 TRP A 76 -4.448 5.131 -7.449 1.00 0.00 H new ATOM 0 HB3 TRP A 76 -6.173 4.895 -7.252 1.00 0.00 H new ATOM 0 HD1 TRP A 76 -2.967 2.988 -7.307 1.00 0.00 H new ATOM 0 HE1 TRP A 76 -3.389 0.437 -7.234 1.00 0.00 H new ATOM 0 HE3 TRP A 76 -7.986 3.034 -8.264 1.00 0.00 H new ATOM 0 HZ2 TRP A 76 -5.592 -1.282 -7.547 1.00 0.00 H new ATOM 0 HZ3 TRP A 76 -9.189 0.887 -8.364 1.00 0.00 H new ATOM 0 HH2 TRP A 76 -8.006 -1.242 -8.006 1.00 0.00 H new ATOM 1173 N ALA A 77 -4.920 7.325 -8.702 1.00 0.00 N ATOM 1174 CA ALA A 77 -5.055 8.776 -8.667 1.00 0.00 C ATOM 1175 C ALA A 77 -4.536 9.406 -9.957 1.00 0.00 C ATOM 1176 O ALA A 77 -5.311 9.920 -10.763 1.00 0.00 O ATOM 1177 CB ALA A 77 -4.316 9.347 -7.466 1.00 0.00 C ATOM 0 H ALA A 77 -4.107 6.965 -8.202 1.00 0.00 H new ATOM 0 HA ALA A 77 -6.114 9.015 -8.575 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -4.426 10.431 -7.453 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -4.733 8.929 -6.550 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -3.259 9.090 -7.533 1.00 0.00 H new ATOM 1183 N GLY A 78 -3.221 9.363 -10.143 1.00 0.00 N ATOM 1184 CA GLY A 78 -2.622 9.934 -11.335 1.00 0.00 C ATOM 1185 C GLY A 78 -1.222 10.460 -11.087 1.00 0.00 C ATOM 1186 O GLY A 78 -0.249 9.707 -11.058 1.00 0.00 O ATOM 0 H GLY A 78 -2.560 8.943 -9.490 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -2.589 9.177 -12.119 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -3.252 10.745 -11.701 1.00 0.00 H new ATOM 1190 N PRO A 79 -1.107 11.783 -10.903 1.00 0.00 N ATOM 1191 CA PRO A 79 0.180 12.439 -10.654 1.00 0.00 C ATOM 1192 C PRO A 79 0.746 12.100 -9.279 1.00 0.00 C ATOM 1193 O PRO A 79 0.204 12.515 -8.254 1.00 0.00 O ATOM 1194 CB PRO A 79 -0.158 13.930 -10.740 1.00 0.00 C ATOM 1195 CG PRO A 79 -1.607 14.010 -10.403 1.00 0.00 C ATOM 1196 CD PRO A 79 -2.225 12.742 -10.925 1.00 0.00 C ATOM 0 HA PRO A 79 0.944 12.120 -11.363 1.00 0.00 H new ATOM 0 HB2 PRO A 79 0.443 14.513 -10.043 1.00 0.00 H new ATOM 0 HB3 PRO A 79 0.039 14.324 -11.737 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -1.753 14.101 -9.327 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -2.066 14.886 -10.862 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -3.052 12.410 -10.297 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -2.622 12.873 -11.932 1.00 0.00 H new ATOM 1204 N LEU A 80 1.840 11.346 -9.264 1.00 0.00 N ATOM 1205 CA LEU A 80 2.481 10.952 -8.014 1.00 0.00 C ATOM 1206 C LEU A 80 3.951 11.356 -8.006 1.00 0.00 C ATOM 1207 O LEU A 80 4.682 11.150 -8.974 1.00 0.00 O ATOM 1208 CB LEU A 80 2.353 9.442 -7.807 1.00 0.00 C ATOM 1209 CG LEU A 80 1.112 8.971 -7.047 1.00 0.00 C ATOM 1210 CD1 LEU A 80 1.123 9.507 -5.624 1.00 0.00 C ATOM 1211 CD2 LEU A 80 -0.153 9.404 -7.771 1.00 0.00 C ATOM 0 H LEU A 80 2.302 10.995 -10.103 1.00 0.00 H new ATOM 0 HA LEU A 80 1.977 11.468 -7.197 1.00 0.00 H new ATOM 0 HB2 LEU A 80 2.361 8.960 -8.784 1.00 0.00 H new ATOM 0 HB3 LEU A 80 3.236 9.093 -7.272 1.00 0.00 H new ATOM 0 HG LEU A 80 1.127 7.882 -7.004 1.00 0.00 H new ATOM 0 HD11 LEU A 80 0.233 9.162 -5.098 1.00 0.00 H new ATOM 0 HD12 LEU A 80 2.012 9.147 -5.107 1.00 0.00 H new ATOM 0 HD13 LEU A 80 1.132 10.597 -5.646 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -1.026 9.060 -7.216 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -0.176 10.491 -7.846 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -0.166 8.971 -8.771 1.00 0.00 H new ATOM 1223 N PRO A 81 4.397 11.943 -6.884 1.00 0.00 N ATOM 1224 CA PRO A 81 5.786 12.386 -6.722 1.00 0.00 C ATOM 1225 C PRO A 81 6.757 11.215 -6.613 1.00 0.00 C ATOM 1226 O PRO A 81 6.371 10.059 -6.772 1.00 0.00 O ATOM 1227 CB PRO A 81 5.753 13.178 -5.413 1.00 0.00 C ATOM 1228 CG PRO A 81 4.598 12.616 -4.657 1.00 0.00 C ATOM 1229 CD PRO A 81 3.581 12.219 -5.691 1.00 0.00 C ATOM 0 HA PRO A 81 6.134 12.965 -7.578 1.00 0.00 H new ATOM 0 HB2 PRO A 81 6.683 13.062 -4.857 1.00 0.00 H new ATOM 0 HB3 PRO A 81 5.623 14.244 -5.599 1.00 0.00 H new ATOM 0 HG2 PRO A 81 4.903 11.757 -4.060 1.00 0.00 H new ATOM 0 HG3 PRO A 81 4.187 13.353 -3.968 1.00 0.00 H new ATOM 0 HD2 PRO A 81 3.014 11.342 -5.380 1.00 0.00 H new ATOM 0 HD3 PRO A 81 2.860 13.016 -5.873 1.00 0.00 H new ATOM 1237 N ALA A 82 8.020 11.525 -6.339 1.00 0.00 N ATOM 1238 CA ALA A 82 9.046 10.499 -6.206 1.00 0.00 C ATOM 1239 C ALA A 82 9.865 10.702 -4.934 1.00 0.00 C ATOM 1240 O ALA A 82 9.774 9.914 -3.993 1.00 0.00 O ATOM 1241 CB ALA A 82 9.956 10.500 -7.426 1.00 0.00 C ATOM 0 H ALA A 82 8.357 12.478 -6.205 1.00 0.00 H new ATOM 0 HA ALA A 82 8.549 9.531 -6.137 1.00 0.00 H new ATOM 0 HB1 ALA A 82 10.718 9.728 -7.313 1.00 0.00 H new ATOM 0 HB2 ALA A 82 9.366 10.299 -8.320 1.00 0.00 H new ATOM 0 HB3 ALA A 82 10.437 11.474 -7.520 1.00 0.00 H new ATOM 1247 N THR A 83 10.665 11.765 -4.915 1.00 0.00 N ATOM 1248 CA THR A 83 11.500 12.070 -3.760 1.00 0.00 C ATOM 1249 C THR A 83 10.664 12.184 -2.490 1.00 0.00 C ATOM 1250 O THR A 83 11.108 11.806 -1.406 1.00 0.00 O ATOM 1251 CB THR A 83 12.282 13.381 -3.965 1.00 0.00 C ATOM 1252 OG1 THR A 83 13.043 13.313 -5.175 1.00 0.00 O ATOM 1253 CG2 THR A 83 13.212 13.645 -2.790 1.00 0.00 C ATOM 0 H THR A 83 10.752 12.428 -5.686 1.00 0.00 H new ATOM 0 HA THR A 83 12.205 11.246 -3.653 1.00 0.00 H new ATOM 0 HB THR A 83 11.565 14.199 -4.032 1.00 0.00 H new ATOM 0 HG1 THR A 83 13.536 14.151 -5.299 1.00 0.00 H new ATOM 0 HG21 THR A 83 13.754 14.576 -2.957 1.00 0.00 H new ATOM 0 HG22 THR A 83 12.627 13.725 -1.874 1.00 0.00 H new ATOM 0 HG23 THR A 83 13.922 12.824 -2.697 1.00 0.00 H new ATOM 1261 N HIS A 84 9.449 12.706 -2.632 1.00 0.00 N ATOM 1262 CA HIS A 84 8.550 12.869 -1.496 1.00 0.00 C ATOM 1263 C HIS A 84 8.365 11.547 -0.756 1.00 0.00 C ATOM 1264 O HIS A 84 8.272 11.519 0.472 1.00 0.00 O ATOM 1265 CB HIS A 84 7.193 13.397 -1.963 1.00 0.00 C ATOM 1266 CG HIS A 84 7.224 14.835 -2.385 1.00 0.00 C ATOM 1267 ND1 HIS A 84 6.295 15.762 -1.962 1.00 0.00 N ATOM 1268 CD2 HIS A 84 8.079 15.502 -3.194 1.00 0.00 C ATOM 1269 CE1 HIS A 84 6.577 16.938 -2.494 1.00 0.00 C ATOM 1270 NE2 HIS A 84 7.656 16.807 -3.245 1.00 0.00 N ATOM 0 H HIS A 84 9.065 13.023 -3.522 1.00 0.00 H new ATOM 0 HA HIS A 84 8.997 13.590 -0.812 1.00 0.00 H new ATOM 0 HB2 HIS A 84 6.843 12.789 -2.797 1.00 0.00 H new ATOM 0 HB3 HIS A 84 6.469 13.279 -1.157 1.00 0.00 H new ATOM 0 HD2 HIS A 84 8.935 15.085 -3.704 1.00 0.00 H new ATOM 0 HE1 HIS A 84 6.020 17.851 -2.341 1.00 0.00 H new ATOM 0 HE2 HIS A 84 8.102 17.554 -3.777 1.00 0.00 H new ATOM 1279 N LEU A 85 8.313 10.454 -1.510 1.00 0.00 N ATOM 1280 CA LEU A 85 8.140 9.129 -0.926 1.00 0.00 C ATOM 1281 C LEU A 85 9.297 8.789 0.007 1.00 0.00 C ATOM 1282 O LEU A 85 10.453 8.744 -0.413 1.00 0.00 O ATOM 1283 CB LEU A 85 8.032 8.074 -2.028 1.00 0.00 C ATOM 1284 CG LEU A 85 7.621 6.671 -1.579 1.00 0.00 C ATOM 1285 CD1 LEU A 85 6.109 6.569 -1.464 1.00 0.00 C ATOM 1286 CD2 LEU A 85 8.158 5.623 -2.542 1.00 0.00 C ATOM 0 H LEU A 85 8.388 10.460 -2.527 1.00 0.00 H new ATOM 0 HA LEU A 85 7.218 9.134 -0.344 1.00 0.00 H new ATOM 0 HB2 LEU A 85 7.311 8.423 -2.767 1.00 0.00 H new ATOM 0 HB3 LEU A 85 8.996 8.004 -2.532 1.00 0.00 H new ATOM 0 HG LEU A 85 8.052 6.485 -0.595 1.00 0.00 H new ATOM 0 HD11 LEU A 85 5.835 5.564 -1.143 1.00 0.00 H new ATOM 0 HD12 LEU A 85 5.750 7.293 -0.733 1.00 0.00 H new ATOM 0 HD13 LEU A 85 5.656 6.777 -2.433 1.00 0.00 H new ATOM 0 HD21 LEU A 85 7.855 4.631 -2.206 1.00 0.00 H new ATOM 0 HD22 LEU A 85 7.758 5.806 -3.539 1.00 0.00 H new ATOM 0 HD23 LEU A 85 9.246 5.680 -2.572 1.00 0.00 H new ATOM 1298 N ARG A 86 8.977 8.548 1.275 1.00 0.00 N ATOM 1299 CA ARG A 86 9.990 8.212 2.267 1.00 0.00 C ATOM 1300 C ARG A 86 9.624 6.926 3.003 1.00 0.00 C ATOM 1301 O ARG A 86 8.464 6.705 3.350 1.00 0.00 O ATOM 1302 CB ARG A 86 10.153 9.356 3.269 1.00 0.00 C ATOM 1303 CG ARG A 86 10.909 8.960 4.528 1.00 0.00 C ATOM 1304 CD ARG A 86 12.406 9.165 4.366 1.00 0.00 C ATOM 1305 NE ARG A 86 12.811 10.531 4.691 1.00 0.00 N ATOM 1306 CZ ARG A 86 14.048 10.989 4.535 1.00 0.00 C ATOM 1307 NH1 ARG A 86 14.997 10.194 4.059 1.00 0.00 N ATOM 1308 NH2 ARG A 86 14.338 12.243 4.854 1.00 0.00 N ATOM 0 H ARG A 86 8.024 8.579 1.638 1.00 0.00 H new ATOM 0 HA ARG A 86 10.935 8.057 1.746 1.00 0.00 H new ATOM 0 HB2 ARG A 86 10.677 10.180 2.785 1.00 0.00 H new ATOM 0 HB3 ARG A 86 9.167 9.726 3.549 1.00 0.00 H new ATOM 0 HG2 ARG A 86 10.549 9.550 5.371 1.00 0.00 H new ATOM 0 HG3 ARG A 86 10.707 7.915 4.761 1.00 0.00 H new ATOM 0 HD2 ARG A 86 12.939 8.466 5.010 1.00 0.00 H new ATOM 0 HD3 ARG A 86 12.694 8.936 3.340 1.00 0.00 H new ATOM 0 HE ARG A 86 12.104 11.168 5.058 1.00 0.00 H new ATOM 0 HH11 ARG A 86 14.777 9.229 3.812 1.00 0.00 H new ATOM 0 HH12 ARG A 86 15.946 10.548 3.940 1.00 0.00 H new ATOM 0 HH21 ARG A 86 13.611 12.857 5.220 1.00 0.00 H new ATOM 0 HH22 ARG A 86 15.288 12.593 4.734 1.00 0.00 H new ATOM 1322 N HIS A 87 10.623 6.079 3.237 1.00 0.00 N ATOM 1323 CA HIS A 87 10.406 4.815 3.931 1.00 0.00 C ATOM 1324 C HIS A 87 10.115 5.050 5.410 1.00 0.00 C ATOM 1325 O HIS A 87 10.912 5.662 6.121 1.00 0.00 O ATOM 1326 CB HIS A 87 11.628 3.909 3.778 1.00 0.00 C ATOM 1327 CG HIS A 87 11.609 2.718 4.687 1.00 0.00 C ATOM 1328 ND1 HIS A 87 12.373 2.633 5.832 1.00 0.00 N ATOM 1329 CD2 HIS A 87 10.911 1.560 4.615 1.00 0.00 C ATOM 1330 CE1 HIS A 87 12.146 1.475 6.424 1.00 0.00 C ATOM 1331 NE2 HIS A 87 11.263 0.805 5.706 1.00 0.00 N ATOM 0 H HIS A 87 11.589 6.246 2.956 1.00 0.00 H new ATOM 0 HA HIS A 87 9.542 4.326 3.482 1.00 0.00 H new ATOM 0 HB2 HIS A 87 11.689 3.566 2.745 1.00 0.00 H new ATOM 0 HB3 HIS A 87 12.528 4.491 3.974 1.00 0.00 H new ATOM 0 HD2 HIS A 87 10.208 1.282 3.843 1.00 0.00 H new ATOM 0 HE1 HIS A 87 12.605 1.133 7.340 1.00 0.00 H new ATOM 0 HE2 HIS A 87 10.901 -0.123 5.926 1.00 0.00 H new ATOM 1340 N LEU A 88 8.968 4.560 5.868 1.00 0.00 N ATOM 1341 CA LEU A 88 8.570 4.717 7.262 1.00 0.00 C ATOM 1342 C LEU A 88 8.204 3.372 7.879 1.00 0.00 C ATOM 1343 O LEU A 88 7.063 2.922 7.783 1.00 0.00 O ATOM 1344 CB LEU A 88 7.386 5.679 7.370 1.00 0.00 C ATOM 1345 CG LEU A 88 7.529 7.008 6.626 1.00 0.00 C ATOM 1346 CD1 LEU A 88 6.260 7.835 6.759 1.00 0.00 C ATOM 1347 CD2 LEU A 88 8.730 7.783 7.146 1.00 0.00 C ATOM 0 H LEU A 88 8.297 4.050 5.293 1.00 0.00 H new ATOM 0 HA LEU A 88 9.417 5.129 7.811 1.00 0.00 H new ATOM 0 HB2 LEU A 88 6.496 5.171 6.998 1.00 0.00 H new ATOM 0 HB3 LEU A 88 7.213 5.893 8.425 1.00 0.00 H new ATOM 0 HG LEU A 88 7.689 6.795 5.569 1.00 0.00 H new ATOM 0 HD11 LEU A 88 6.381 8.776 6.223 1.00 0.00 H new ATOM 0 HD12 LEU A 88 5.420 7.283 6.337 1.00 0.00 H new ATOM 0 HD13 LEU A 88 6.068 8.039 7.812 1.00 0.00 H new ATOM 0 HD21 LEU A 88 8.817 8.726 6.606 1.00 0.00 H new ATOM 0 HD22 LEU A 88 8.600 7.985 8.209 1.00 0.00 H new ATOM 0 HD23 LEU A 88 9.635 7.195 6.996 1.00 0.00 H new ATOM 1359 N GLY A 89 9.181 2.733 8.516 1.00 0.00 N ATOM 1360 CA GLY A 89 8.942 1.446 9.142 1.00 0.00 C ATOM 1361 C GLY A 89 8.461 0.402 8.154 1.00 0.00 C ATOM 1362 O GLY A 89 8.413 0.653 6.950 1.00 0.00 O ATOM 0 H GLY A 89 10.134 3.084 8.609 1.00 0.00 H new ATOM 0 HA2 GLY A 89 9.861 1.099 9.614 1.00 0.00 H new ATOM 0 HA3 GLY A 89 8.201 1.562 9.933 1.00 0.00 H new ATOM 1366 N GLU A 90 8.106 -0.774 8.663 1.00 0.00 N ATOM 1367 CA GLU A 90 7.629 -1.861 7.815 1.00 0.00 C ATOM 1368 C GLU A 90 6.510 -2.637 8.505 1.00 0.00 C ATOM 1369 O GLU A 90 6.238 -2.436 9.688 1.00 0.00 O ATOM 1370 CB GLU A 90 8.780 -2.806 7.465 1.00 0.00 C ATOM 1371 CG GLU A 90 9.063 -3.845 8.538 1.00 0.00 C ATOM 1372 CD GLU A 90 10.490 -4.357 8.491 1.00 0.00 C ATOM 1373 OE1 GLU A 90 11.375 -3.608 8.027 1.00 0.00 O ATOM 1374 OE2 GLU A 90 10.720 -5.507 8.919 1.00 0.00 O ATOM 0 H GLU A 90 8.140 -0.998 9.657 1.00 0.00 H new ATOM 0 HA GLU A 90 7.234 -1.426 6.897 1.00 0.00 H new ATOM 0 HB2 GLU A 90 8.549 -3.316 6.530 1.00 0.00 H new ATOM 0 HB3 GLU A 90 9.682 -2.218 7.293 1.00 0.00 H new ATOM 0 HG2 GLU A 90 8.868 -3.411 9.519 1.00 0.00 H new ATOM 0 HG3 GLU A 90 8.376 -4.683 8.418 1.00 0.00 H new ATOM 1381 N VAL A 91 5.866 -3.525 7.754 1.00 0.00 N ATOM 1382 CA VAL A 91 4.777 -4.332 8.291 1.00 0.00 C ATOM 1383 C VAL A 91 4.858 -5.769 7.788 1.00 0.00 C ATOM 1384 O VAL A 91 4.535 -6.053 6.634 1.00 0.00 O ATOM 1385 CB VAL A 91 3.403 -3.744 7.915 1.00 0.00 C ATOM 1386 CG1 VAL A 91 2.293 -4.727 8.250 1.00 0.00 C ATOM 1387 CG2 VAL A 91 3.182 -2.415 8.621 1.00 0.00 C ATOM 0 H VAL A 91 6.080 -3.704 6.773 1.00 0.00 H new ATOM 0 HA VAL A 91 4.882 -4.323 9.376 1.00 0.00 H new ATOM 0 HB VAL A 91 3.384 -3.565 6.840 1.00 0.00 H new ATOM 0 HG11 VAL A 91 1.330 -4.295 7.978 1.00 0.00 H new ATOM 0 HG12 VAL A 91 2.446 -5.652 7.694 1.00 0.00 H new ATOM 0 HG13 VAL A 91 2.306 -4.940 9.319 1.00 0.00 H new ATOM 0 HG21 VAL A 91 2.207 -2.014 8.344 1.00 0.00 H new ATOM 0 HG22 VAL A 91 3.220 -2.565 9.700 1.00 0.00 H new ATOM 0 HG23 VAL A 91 3.961 -1.712 8.325 1.00 0.00 H new ATOM 1397 N VAL A 92 5.290 -6.673 8.661 1.00 0.00 N ATOM 1398 CA VAL A 92 5.412 -8.082 8.306 1.00 0.00 C ATOM 1399 C VAL A 92 4.457 -8.941 9.127 1.00 0.00 C ATOM 1400 O VAL A 92 4.606 -9.064 10.344 1.00 0.00 O ATOM 1401 CB VAL A 92 6.851 -8.590 8.515 1.00 0.00 C ATOM 1402 CG1 VAL A 92 6.898 -10.109 8.432 1.00 0.00 C ATOM 1403 CG2 VAL A 92 7.791 -7.963 7.496 1.00 0.00 C ATOM 0 H VAL A 92 5.562 -6.455 9.620 1.00 0.00 H new ATOM 0 HA VAL A 92 5.154 -8.166 7.250 1.00 0.00 H new ATOM 0 HB VAL A 92 7.182 -8.293 9.510 1.00 0.00 H new ATOM 0 HG11 VAL A 92 7.922 -10.450 8.582 1.00 0.00 H new ATOM 0 HG12 VAL A 92 6.257 -10.536 9.203 1.00 0.00 H new ATOM 0 HG13 VAL A 92 6.548 -10.431 7.451 1.00 0.00 H new ATOM 0 HG21 VAL A 92 8.803 -8.333 7.659 1.00 0.00 H new ATOM 0 HG22 VAL A 92 7.465 -8.227 6.490 1.00 0.00 H new ATOM 0 HG23 VAL A 92 7.779 -6.879 7.609 1.00 0.00 H new ATOM 1413 N HIS A 93 3.476 -9.533 8.455 1.00 0.00 N ATOM 1414 CA HIS A 93 2.496 -10.382 9.122 1.00 0.00 C ATOM 1415 C HIS A 93 2.742 -11.853 8.801 1.00 0.00 C ATOM 1416 O HIS A 93 3.340 -12.185 7.776 1.00 0.00 O ATOM 1417 CB HIS A 93 1.079 -9.987 8.705 1.00 0.00 C ATOM 1418 CG HIS A 93 0.009 -10.620 9.540 1.00 0.00 C ATOM 1419 ND1 HIS A 93 -0.818 -9.899 10.375 1.00 0.00 N ATOM 1420 CD2 HIS A 93 -0.367 -11.914 9.666 1.00 0.00 C ATOM 1421 CE1 HIS A 93 -1.656 -10.722 10.979 1.00 0.00 C ATOM 1422 NE2 HIS A 93 -1.403 -11.952 10.567 1.00 0.00 N ATOM 0 H HIS A 93 3.338 -9.441 7.449 1.00 0.00 H new ATOM 0 HA HIS A 93 2.603 -10.241 10.198 1.00 0.00 H new ATOM 0 HB2 HIS A 93 0.981 -8.903 8.764 1.00 0.00 H new ATOM 0 HB3 HIS A 93 0.926 -10.264 7.662 1.00 0.00 H new ATOM 0 HD2 HIS A 93 0.067 -12.760 9.153 1.00 0.00 H new ATOM 0 HE1 HIS A 93 -2.419 -10.438 11.689 1.00 0.00 H new ATOM 0 HE2 HIS A 93 -1.896 -12.792 10.869 1.00 0.00 H new ATOM 1431 N THR A 94 2.278 -12.733 9.682 1.00 0.00 N ATOM 1432 CA THR A 94 2.450 -14.167 9.494 1.00 0.00 C ATOM 1433 C THR A 94 1.113 -14.895 9.561 1.00 0.00 C ATOM 1434 O THR A 94 0.389 -14.795 10.552 1.00 0.00 O ATOM 1435 CB THR A 94 3.399 -14.764 10.551 1.00 0.00 C ATOM 1436 OG1 THR A 94 4.614 -14.007 10.602 1.00 0.00 O ATOM 1437 CG2 THR A 94 3.716 -16.218 10.235 1.00 0.00 C ATOM 0 H THR A 94 1.779 -12.477 10.534 1.00 0.00 H new ATOM 0 HA THR A 94 2.887 -14.304 8.505 1.00 0.00 H new ATOM 0 HB THR A 94 2.901 -14.719 11.520 1.00 0.00 H new ATOM 0 HG1 THR A 94 5.211 -14.392 11.277 1.00 0.00 H new ATOM 0 HG21 THR A 94 4.387 -16.617 10.995 1.00 0.00 H new ATOM 0 HG22 THR A 94 2.793 -16.798 10.225 1.00 0.00 H new ATOM 0 HG23 THR A 94 4.195 -16.282 9.258 1.00 0.00 H new ATOM 1445 N PHE A 95 0.789 -15.628 8.500 1.00 0.00 N ATOM 1446 CA PHE A 95 -0.464 -16.373 8.439 1.00 0.00 C ATOM 1447 C PHE A 95 -0.209 -17.874 8.542 1.00 0.00 C ATOM 1448 O PHE A 95 0.932 -18.312 8.690 1.00 0.00 O ATOM 1449 CB PHE A 95 -1.206 -16.058 7.138 1.00 0.00 C ATOM 1450 CG PHE A 95 -1.523 -14.600 6.968 1.00 0.00 C ATOM 1451 CD1 PHE A 95 -2.263 -13.922 7.924 1.00 0.00 C ATOM 1452 CD2 PHE A 95 -1.083 -13.908 5.852 1.00 0.00 C ATOM 1453 CE1 PHE A 95 -2.557 -12.581 7.769 1.00 0.00 C ATOM 1454 CE2 PHE A 95 -1.373 -12.566 5.692 1.00 0.00 C ATOM 1455 CZ PHE A 95 -2.111 -11.902 6.652 1.00 0.00 C ATOM 0 H PHE A 95 1.376 -15.722 7.671 1.00 0.00 H new ATOM 0 HA PHE A 95 -1.081 -16.068 9.284 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -0.602 -16.391 6.294 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -2.134 -16.629 7.111 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -2.614 -14.448 8.800 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -0.506 -14.423 5.098 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -3.135 -12.064 8.521 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -1.023 -12.038 4.818 1.00 0.00 H new ATOM 0 HZ PHE A 95 -2.339 -10.853 6.530 1.00 0.00 H new ATOM 1465 N SER A 96 -1.280 -18.657 8.463 1.00 0.00 N ATOM 1466 CA SER A 96 -1.175 -20.109 8.551 1.00 0.00 C ATOM 1467 C SER A 96 -0.166 -20.642 7.539 1.00 0.00 C ATOM 1468 O SER A 96 -0.247 -20.343 6.346 1.00 0.00 O ATOM 1469 CB SER A 96 -2.542 -20.756 8.317 1.00 0.00 C ATOM 1470 OG SER A 96 -3.435 -20.458 9.376 1.00 0.00 O ATOM 0 H SER A 96 -2.231 -18.310 8.338 1.00 0.00 H new ATOM 0 HA SER A 96 -0.828 -20.364 9.552 1.00 0.00 H new ATOM 0 HB2 SER A 96 -2.959 -20.401 7.375 1.00 0.00 H new ATOM 0 HB3 SER A 96 -2.426 -21.836 8.228 1.00 0.00 H new ATOM 0 HG SER A 96 -4.302 -20.881 9.202 1.00 0.00 H new ATOM 1476 N HIS A 97 0.784 -21.436 8.021 1.00 0.00 N ATOM 1477 CA HIS A 97 1.809 -22.014 7.160 1.00 0.00 C ATOM 1478 C HIS A 97 2.183 -21.048 6.038 1.00 0.00 C ATOM 1479 O HIS A 97 2.556 -21.469 4.943 1.00 0.00 O ATOM 1480 CB HIS A 97 1.322 -23.337 6.568 1.00 0.00 C ATOM 1481 CG HIS A 97 0.677 -23.191 5.224 1.00 0.00 C ATOM 1482 ND1 HIS A 97 1.233 -23.690 4.065 1.00 0.00 N ATOM 1483 CD2 HIS A 97 -0.484 -22.600 4.859 1.00 0.00 C ATOM 1484 CE1 HIS A 97 0.442 -23.409 3.044 1.00 0.00 C ATOM 1485 NE2 HIS A 97 -0.608 -22.749 3.500 1.00 0.00 N ATOM 0 H HIS A 97 0.865 -21.694 9.004 1.00 0.00 H new ATOM 0 HA HIS A 97 2.695 -22.201 7.766 1.00 0.00 H new ATOM 0 HB2 HIS A 97 2.167 -24.021 6.484 1.00 0.00 H new ATOM 0 HB3 HIS A 97 0.610 -23.793 7.256 1.00 0.00 H new ATOM 0 HD2 HIS A 97 -1.183 -22.103 5.515 1.00 0.00 H new ATOM 0 HE1 HIS A 97 0.623 -23.674 2.013 1.00 0.00 H new ATOM 0 HE2 HIS A 97 -1.384 -22.406 2.934 1.00 0.00 H new ATOM 1494 N ILE A 98 2.081 -19.754 6.319 1.00 0.00 N ATOM 1495 CA ILE A 98 2.408 -18.730 5.335 1.00 0.00 C ATOM 1496 C ILE A 98 3.029 -17.508 6.000 1.00 0.00 C ATOM 1497 O ILE A 98 2.873 -17.293 7.202 1.00 0.00 O ATOM 1498 CB ILE A 98 1.162 -18.292 4.542 1.00 0.00 C ATOM 1499 CG1 ILE A 98 0.584 -19.476 3.763 1.00 0.00 C ATOM 1500 CG2 ILE A 98 1.509 -17.150 3.600 1.00 0.00 C ATOM 1501 CD1 ILE A 98 -0.893 -19.342 3.468 1.00 0.00 C ATOM 0 H ILE A 98 1.774 -19.389 7.221 1.00 0.00 H new ATOM 0 HA ILE A 98 3.129 -19.172 4.647 1.00 0.00 H new ATOM 0 HB ILE A 98 0.407 -17.941 5.245 1.00 0.00 H new ATOM 0 HG12 ILE A 98 1.126 -19.581 2.823 1.00 0.00 H new ATOM 0 HG13 ILE A 98 0.751 -20.391 4.332 1.00 0.00 H new ATOM 0 HG21 ILE A 98 0.619 -16.851 3.047 1.00 0.00 H new ATOM 0 HG22 ILE A 98 1.879 -16.302 4.177 1.00 0.00 H new ATOM 0 HG23 ILE A 98 2.278 -17.476 2.900 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -1.234 -20.216 2.914 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -1.446 -19.267 4.404 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -1.065 -18.445 2.873 1.00 0.00 H new ATOM 1513 N LYS A 99 3.734 -16.705 5.210 1.00 0.00 N ATOM 1514 CA LYS A 99 4.378 -15.500 5.719 1.00 0.00 C ATOM 1515 C LYS A 99 4.292 -14.366 4.702 1.00 0.00 C ATOM 1516 O LYS A 99 4.607 -14.549 3.525 1.00 0.00 O ATOM 1517 CB LYS A 99 5.842 -15.784 6.060 1.00 0.00 C ATOM 1518 CG LYS A 99 6.390 -14.907 7.173 1.00 0.00 C ATOM 1519 CD LYS A 99 6.924 -13.591 6.633 1.00 0.00 C ATOM 1520 CE LYS A 99 7.978 -12.997 7.556 1.00 0.00 C ATOM 1521 NZ LYS A 99 7.597 -13.128 8.989 1.00 0.00 N ATOM 0 H LYS A 99 3.874 -16.868 4.213 1.00 0.00 H new ATOM 0 HA LYS A 99 3.854 -15.193 6.624 1.00 0.00 H new ATOM 0 HB2 LYS A 99 5.942 -16.830 6.351 1.00 0.00 H new ATOM 0 HB3 LYS A 99 6.449 -15.642 5.165 1.00 0.00 H new ATOM 0 HG2 LYS A 99 5.605 -14.710 7.903 1.00 0.00 H new ATOM 0 HG3 LYS A 99 7.186 -15.437 7.696 1.00 0.00 H new ATOM 0 HD2 LYS A 99 7.353 -13.750 5.644 1.00 0.00 H new ATOM 0 HD3 LYS A 99 6.102 -12.885 6.515 1.00 0.00 H new ATOM 0 HE2 LYS A 99 8.932 -13.496 7.387 1.00 0.00 H new ATOM 0 HE3 LYS A 99 8.122 -11.944 7.313 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 8.171 -12.477 9.562 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 6.590 -12.893 9.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 7.763 -14.105 9.304 1.00 0.00 H new ATOM 1535 N LEU A 100 3.866 -13.195 5.163 1.00 0.00 N ATOM 1536 CA LEU A 100 3.742 -12.030 4.294 1.00 0.00 C ATOM 1537 C LEU A 100 4.636 -10.893 4.775 1.00 0.00 C ATOM 1538 O LEU A 100 4.898 -10.756 5.971 1.00 0.00 O ATOM 1539 CB LEU A 100 2.286 -11.562 4.242 1.00 0.00 C ATOM 1540 CG LEU A 100 1.422 -12.177 3.140 1.00 0.00 C ATOM 1541 CD1 LEU A 100 1.726 -11.526 1.799 1.00 0.00 C ATOM 1542 CD2 LEU A 100 1.642 -13.681 3.067 1.00 0.00 C ATOM 0 H LEU A 100 3.601 -13.027 6.133 1.00 0.00 H new ATOM 0 HA LEU A 100 4.062 -12.319 3.293 1.00 0.00 H new ATOM 0 HB2 LEU A 100 1.821 -11.779 5.204 1.00 0.00 H new ATOM 0 HB3 LEU A 100 2.278 -10.479 4.121 1.00 0.00 H new ATOM 0 HG LEU A 100 0.375 -11.995 3.381 1.00 0.00 H new ATOM 0 HD11 LEU A 100 1.102 -11.976 1.026 1.00 0.00 H new ATOM 0 HD12 LEU A 100 1.517 -10.458 1.858 1.00 0.00 H new ATOM 0 HD13 LEU A 100 2.777 -11.677 1.551 1.00 0.00 H new ATOM 0 HD21 LEU A 100 1.019 -14.102 2.278 1.00 0.00 H new ATOM 0 HD22 LEU A 100 2.690 -13.885 2.850 1.00 0.00 H new ATOM 0 HD23 LEU A 100 1.374 -14.135 4.021 1.00 0.00 H new ATOM 1554 N THR A 101 5.103 -10.076 3.837 1.00 0.00 N ATOM 1555 CA THR A 101 5.968 -8.949 4.164 1.00 0.00 C ATOM 1556 C THR A 101 5.585 -7.710 3.362 1.00 0.00 C ATOM 1557 O THR A 101 5.703 -7.691 2.137 1.00 0.00 O ATOM 1558 CB THR A 101 7.448 -9.281 3.899 1.00 0.00 C ATOM 1559 OG1 THR A 101 7.921 -10.224 4.867 1.00 0.00 O ATOM 1560 CG2 THR A 101 8.302 -8.024 3.949 1.00 0.00 C ATOM 0 H THR A 101 4.896 -10.174 2.843 1.00 0.00 H new ATOM 0 HA THR A 101 5.834 -8.746 5.226 1.00 0.00 H new ATOM 0 HB THR A 101 7.526 -9.715 2.902 1.00 0.00 H new ATOM 0 HG1 THR A 101 8.862 -10.431 4.690 1.00 0.00 H new ATOM 0 HG21 THR A 101 9.343 -8.284 3.759 1.00 0.00 H new ATOM 0 HG22 THR A 101 7.959 -7.321 3.190 1.00 0.00 H new ATOM 0 HG23 THR A 101 8.217 -7.565 4.934 1.00 0.00 H new ATOM 1568 N TYR A 102 5.127 -6.678 4.061 1.00 0.00 N ATOM 1569 CA TYR A 102 4.724 -5.436 3.413 1.00 0.00 C ATOM 1570 C TYR A 102 5.650 -4.289 3.809 1.00 0.00 C ATOM 1571 O TYR A 102 6.040 -4.166 4.970 1.00 0.00 O ATOM 1572 CB TYR A 102 3.280 -5.088 3.780 1.00 0.00 C ATOM 1573 CG TYR A 102 2.257 -5.997 3.135 1.00 0.00 C ATOM 1574 CD1 TYR A 102 2.002 -7.262 3.647 1.00 0.00 C ATOM 1575 CD2 TYR A 102 1.546 -5.588 2.014 1.00 0.00 C ATOM 1576 CE1 TYR A 102 1.069 -8.095 3.062 1.00 0.00 C ATOM 1577 CE2 TYR A 102 0.610 -6.413 1.422 1.00 0.00 C ATOM 1578 CZ TYR A 102 0.375 -7.666 1.949 1.00 0.00 C ATOM 1579 OH TYR A 102 -0.556 -8.492 1.363 1.00 0.00 O ATOM 0 H TYR A 102 5.026 -6.677 5.076 1.00 0.00 H new ATOM 0 HA TYR A 102 4.793 -5.581 2.335 1.00 0.00 H new ATOM 0 HB2 TYR A 102 3.167 -5.138 4.863 1.00 0.00 H new ATOM 0 HB3 TYR A 102 3.077 -4.059 3.485 1.00 0.00 H new ATOM 0 HD1 TYR A 102 2.543 -7.601 4.518 1.00 0.00 H new ATOM 0 HD2 TYR A 102 1.728 -4.608 1.598 1.00 0.00 H new ATOM 0 HE1 TYR A 102 0.883 -9.076 3.473 1.00 0.00 H new ATOM 0 HE2 TYR A 102 0.065 -6.079 0.551 1.00 0.00 H new ATOM 0 HH TYR A 102 -0.955 -8.039 0.591 1.00 0.00 H new ATOM 1589 N GLN A 103 5.998 -3.455 2.837 1.00 0.00 N ATOM 1590 CA GLN A 103 6.878 -2.319 3.083 1.00 0.00 C ATOM 1591 C GLN A 103 6.080 -1.023 3.182 1.00 0.00 C ATOM 1592 O GLN A 103 5.453 -0.592 2.214 1.00 0.00 O ATOM 1593 CB GLN A 103 7.923 -2.205 1.972 1.00 0.00 C ATOM 1594 CG GLN A 103 8.872 -3.391 1.905 1.00 0.00 C ATOM 1595 CD GLN A 103 9.808 -3.455 3.095 1.00 0.00 C ATOM 1596 OE1 GLN A 103 10.685 -2.605 3.258 1.00 0.00 O ATOM 1597 NE2 GLN A 103 9.629 -4.467 3.935 1.00 0.00 N ATOM 0 H GLN A 103 5.684 -3.544 1.871 1.00 0.00 H new ATOM 0 HA GLN A 103 7.386 -2.485 4.033 1.00 0.00 H new ATOM 0 HB2 GLN A 103 7.413 -2.104 1.014 1.00 0.00 H new ATOM 0 HB3 GLN A 103 8.503 -1.294 2.122 1.00 0.00 H new ATOM 0 HG2 GLN A 103 8.293 -4.313 1.853 1.00 0.00 H new ATOM 0 HG3 GLN A 103 9.459 -3.331 0.988 1.00 0.00 H new ATOM 0 HE21 GLN A 103 8.890 -5.149 3.762 1.00 0.00 H new ATOM 0 HE22 GLN A 103 10.230 -4.563 4.753 1.00 0.00 H new ATOM 1606 N VAL A 104 6.108 -0.404 4.358 1.00 0.00 N ATOM 1607 CA VAL A 104 5.388 0.843 4.584 1.00 0.00 C ATOM 1608 C VAL A 104 6.041 1.997 3.832 1.00 0.00 C ATOM 1609 O VAL A 104 7.241 2.238 3.962 1.00 0.00 O ATOM 1610 CB VAL A 104 5.325 1.192 6.082 1.00 0.00 C ATOM 1611 CG1 VAL A 104 4.548 2.481 6.299 1.00 0.00 C ATOM 1612 CG2 VAL A 104 4.703 0.048 6.869 1.00 0.00 C ATOM 0 H VAL A 104 6.622 -0.747 5.170 1.00 0.00 H new ATOM 0 HA VAL A 104 4.375 0.696 4.211 1.00 0.00 H new ATOM 0 HB VAL A 104 6.342 1.343 6.444 1.00 0.00 H new ATOM 0 HG11 VAL A 104 4.515 2.711 7.364 1.00 0.00 H new ATOM 0 HG12 VAL A 104 5.039 3.296 5.767 1.00 0.00 H new ATOM 0 HG13 VAL A 104 3.532 2.362 5.922 1.00 0.00 H new ATOM 0 HG21 VAL A 104 4.666 0.311 7.926 1.00 0.00 H new ATOM 0 HG22 VAL A 104 3.692 -0.136 6.505 1.00 0.00 H new ATOM 0 HG23 VAL A 104 5.305 -0.852 6.740 1.00 0.00 H new ATOM 1622 N TYR A 105 5.241 2.710 3.045 1.00 0.00 N ATOM 1623 CA TYR A 105 5.741 3.839 2.270 1.00 0.00 C ATOM 1624 C TYR A 105 4.786 5.026 2.357 1.00 0.00 C ATOM 1625 O TYR A 105 3.695 5.001 1.788 1.00 0.00 O ATOM 1626 CB TYR A 105 5.938 3.434 0.808 1.00 0.00 C ATOM 1627 CG TYR A 105 7.301 2.850 0.520 1.00 0.00 C ATOM 1628 CD1 TYR A 105 8.436 3.651 0.516 1.00 0.00 C ATOM 1629 CD2 TYR A 105 7.455 1.495 0.252 1.00 0.00 C ATOM 1630 CE1 TYR A 105 9.684 3.121 0.252 1.00 0.00 C ATOM 1631 CE2 TYR A 105 8.700 0.955 -0.011 1.00 0.00 C ATOM 1632 CZ TYR A 105 9.812 1.773 -0.010 1.00 0.00 C ATOM 1633 OH TYR A 105 11.053 1.240 -0.272 1.00 0.00 O ATOM 0 H TYR A 105 4.245 2.526 2.928 1.00 0.00 H new ATOM 0 HA TYR A 105 6.702 4.138 2.690 1.00 0.00 H new ATOM 0 HB2 TYR A 105 5.175 2.705 0.536 1.00 0.00 H new ATOM 0 HB3 TYR A 105 5.785 4.307 0.174 1.00 0.00 H new ATOM 0 HD1 TYR A 105 8.341 4.707 0.723 1.00 0.00 H new ATOM 0 HD2 TYR A 105 6.587 0.853 0.249 1.00 0.00 H new ATOM 0 HE1 TYR A 105 10.555 3.759 0.251 1.00 0.00 H new ATOM 0 HE2 TYR A 105 8.802 -0.100 -0.216 1.00 0.00 H new ATOM 0 HH TYR A 105 10.968 0.277 -0.434 1.00 0.00 H new ATOM 1643 N GLY A 106 5.204 6.063 3.074 1.00 0.00 N ATOM 1644 CA GLY A 106 4.375 7.245 3.224 1.00 0.00 C ATOM 1645 C GLY A 106 4.538 8.217 2.072 1.00 0.00 C ATOM 1646 O GLY A 106 5.659 8.515 1.656 1.00 0.00 O ATOM 0 H GLY A 106 6.103 6.107 3.554 1.00 0.00 H new ATOM 0 HA2 GLY A 106 3.330 6.945 3.297 1.00 0.00 H new ATOM 0 HA3 GLY A 106 4.629 7.747 4.158 1.00 0.00 H new ATOM 1650 N LEU A 107 3.420 8.713 1.553 1.00 0.00 N ATOM 1651 CA LEU A 107 3.444 9.656 0.441 1.00 0.00 C ATOM 1652 C LEU A 107 2.240 10.590 0.494 1.00 0.00 C ATOM 1653 O LEU A 107 1.103 10.165 0.299 1.00 0.00 O ATOM 1654 CB LEU A 107 3.462 8.904 -0.890 1.00 0.00 C ATOM 1655 CG LEU A 107 3.767 9.744 -2.132 1.00 0.00 C ATOM 1656 CD1 LEU A 107 2.707 10.818 -2.321 1.00 0.00 C ATOM 1657 CD2 LEU A 107 5.151 10.368 -2.027 1.00 0.00 C ATOM 0 H LEU A 107 2.485 8.477 1.885 1.00 0.00 H new ATOM 0 HA LEU A 107 4.350 10.256 0.525 1.00 0.00 H new ATOM 0 HB2 LEU A 107 4.203 8.107 -0.824 1.00 0.00 H new ATOM 0 HB3 LEU A 107 2.492 8.427 -1.028 1.00 0.00 H new ATOM 0 HG LEU A 107 3.752 9.090 -3.004 1.00 0.00 H new ATOM 0 HD11 LEU A 107 2.939 11.406 -3.209 1.00 0.00 H new ATOM 0 HD12 LEU A 107 1.731 10.348 -2.442 1.00 0.00 H new ATOM 0 HD13 LEU A 107 2.690 11.470 -1.448 1.00 0.00 H new ATOM 0 HD21 LEU A 107 5.351 10.962 -2.919 1.00 0.00 H new ATOM 0 HD22 LEU A 107 5.195 11.009 -1.147 1.00 0.00 H new ATOM 0 HD23 LEU A 107 5.900 9.580 -1.940 1.00 0.00 H new ATOM 1669 N ALA A 108 2.499 11.867 0.757 1.00 0.00 N ATOM 1670 CA ALA A 108 1.438 12.863 0.831 1.00 0.00 C ATOM 1671 C ALA A 108 1.765 14.079 -0.028 1.00 0.00 C ATOM 1672 O ALA A 108 2.902 14.552 -0.045 1.00 0.00 O ATOM 1673 CB ALA A 108 1.206 13.281 2.276 1.00 0.00 C ATOM 0 H ALA A 108 3.435 12.236 0.922 1.00 0.00 H new ATOM 0 HA ALA A 108 0.524 12.413 0.443 1.00 0.00 H new ATOM 0 HB1 ALA A 108 0.411 14.025 2.316 1.00 0.00 H new ATOM 0 HB2 ALA A 108 0.918 12.410 2.865 1.00 0.00 H new ATOM 0 HB3 ALA A 108 2.123 13.707 2.683 1.00 0.00 H new ATOM 1679 N LEU A 109 0.762 14.581 -0.740 1.00 0.00 N ATOM 1680 CA LEU A 109 0.944 15.743 -1.603 1.00 0.00 C ATOM 1681 C LEU A 109 1.067 17.021 -0.779 1.00 0.00 C ATOM 1682 O LEU A 109 0.121 17.429 -0.105 1.00 0.00 O ATOM 1683 CB LEU A 109 -0.226 15.865 -2.582 1.00 0.00 C ATOM 1684 CG LEU A 109 -0.380 14.724 -3.589 1.00 0.00 C ATOM 1685 CD1 LEU A 109 -1.747 14.778 -4.251 1.00 0.00 C ATOM 1686 CD2 LEU A 109 0.724 14.784 -4.634 1.00 0.00 C ATOM 0 H LEU A 109 -0.185 14.202 -0.737 1.00 0.00 H new ATOM 0 HA LEU A 109 1.868 15.605 -2.165 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -1.149 15.942 -2.007 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -0.116 16.798 -3.134 1.00 0.00 H new ATOM 0 HG LEU A 109 -0.296 13.778 -3.054 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -1.839 13.959 -4.964 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -2.523 14.686 -3.491 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -1.861 15.728 -4.773 1.00 0.00 H new ATOM 0 HD21 LEU A 109 0.599 13.965 -5.342 1.00 0.00 H new ATOM 0 HD22 LEU A 109 0.671 15.734 -5.165 1.00 0.00 H new ATOM 0 HD23 LEU A 109 1.694 14.696 -4.144 1.00 0.00 H new ATOM 1698 N GLU A 110 2.237 17.648 -0.838 1.00 0.00 N ATOM 1699 CA GLU A 110 2.482 18.880 -0.097 1.00 0.00 C ATOM 1700 C GLU A 110 1.370 19.895 -0.347 1.00 0.00 C ATOM 1701 O GLU A 110 1.203 20.848 0.412 1.00 0.00 O ATOM 1702 CB GLU A 110 3.833 19.479 -0.492 1.00 0.00 C ATOM 1703 CG GLU A 110 4.417 20.408 0.559 1.00 0.00 C ATOM 1704 CD GLU A 110 5.396 21.407 -0.026 1.00 0.00 C ATOM 1705 OE1 GLU A 110 4.998 22.166 -0.935 1.00 0.00 O ATOM 1706 OE2 GLU A 110 6.561 21.432 0.425 1.00 0.00 O ATOM 0 H GLU A 110 3.030 17.324 -1.391 1.00 0.00 H new ATOM 0 HA GLU A 110 2.497 18.638 0.966 1.00 0.00 H new ATOM 0 HB2 GLU A 110 4.538 18.670 -0.682 1.00 0.00 H new ATOM 0 HB3 GLU A 110 3.718 20.028 -1.427 1.00 0.00 H new ATOM 0 HG2 GLU A 110 3.608 20.945 1.054 1.00 0.00 H new ATOM 0 HG3 GLU A 110 4.921 19.816 1.323 1.00 0.00 H new ATOM 1751 N PRO A 114 -4.952 18.571 -6.844 1.00 0.00 N ATOM 1752 CA PRO A 114 -5.806 17.424 -6.523 1.00 0.00 C ATOM 1753 C PRO A 114 -5.847 16.398 -7.651 1.00 0.00 C ATOM 1754 O PRO A 114 -5.141 16.530 -8.650 1.00 0.00 O ATOM 1755 CB PRO A 114 -7.187 18.054 -6.323 1.00 0.00 C ATOM 1756 CG PRO A 114 -7.150 19.309 -7.126 1.00 0.00 C ATOM 1757 CD PRO A 114 -5.731 19.802 -7.059 1.00 0.00 C ATOM 0 HA PRO A 114 -5.442 16.876 -5.654 1.00 0.00 H new ATOM 0 HB2 PRO A 114 -7.979 17.388 -6.665 1.00 0.00 H new ATOM 0 HB3 PRO A 114 -7.378 18.263 -5.270 1.00 0.00 H new ATOM 0 HG2 PRO A 114 -7.450 19.121 -8.157 1.00 0.00 H new ATOM 0 HG3 PRO A 114 -7.840 20.050 -6.723 1.00 0.00 H new ATOM 0 HD2 PRO A 114 -5.437 20.308 -7.979 1.00 0.00 H new ATOM 0 HD3 PRO A 114 -5.591 20.514 -6.245 1.00 0.00 H new ATOM 1765 N VAL A 115 -6.680 15.375 -7.483 1.00 0.00 N ATOM 1766 CA VAL A 115 -6.814 14.328 -8.489 1.00 0.00 C ATOM 1767 C VAL A 115 -8.244 14.246 -9.010 1.00 0.00 C ATOM 1768 O VAL A 115 -8.472 14.063 -10.207 1.00 0.00 O ATOM 1769 CB VAL A 115 -6.406 12.953 -7.925 1.00 0.00 C ATOM 1770 CG1 VAL A 115 -7.281 12.583 -6.737 1.00 0.00 C ATOM 1771 CG2 VAL A 115 -6.485 11.889 -9.008 1.00 0.00 C ATOM 0 H VAL A 115 -7.271 15.249 -6.661 1.00 0.00 H new ATOM 0 HA VAL A 115 -6.146 14.590 -9.309 1.00 0.00 H new ATOM 0 HB VAL A 115 -5.373 13.012 -7.581 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -6.979 11.609 -6.352 1.00 0.00 H new ATOM 0 HG12 VAL A 115 -7.169 13.334 -5.955 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -8.324 12.541 -7.052 1.00 0.00 H new ATOM 0 HG21 VAL A 115 -6.194 10.924 -8.592 1.00 0.00 H new ATOM 0 HG22 VAL A 115 -7.506 11.828 -9.385 1.00 0.00 H new ATOM 0 HG23 VAL A 115 -5.812 12.150 -9.825 1.00 0.00 H new ATOM 1781 N THR A 116 -9.207 14.384 -8.104 1.00 0.00 N ATOM 1782 CA THR A 116 -10.617 14.326 -8.471 1.00 0.00 C ATOM 1783 C THR A 116 -10.845 13.349 -9.620 1.00 0.00 C ATOM 1784 O THR A 116 -11.597 13.636 -10.552 1.00 0.00 O ATOM 1785 CB THR A 116 -11.149 15.713 -8.878 1.00 0.00 C ATOM 1786 OG1 THR A 116 -10.637 16.076 -10.165 1.00 0.00 O ATOM 1787 CG2 THR A 116 -10.754 16.766 -7.853 1.00 0.00 C ATOM 0 H THR A 116 -9.036 14.537 -7.110 1.00 0.00 H new ATOM 0 HA THR A 116 -11.160 13.981 -7.591 1.00 0.00 H new ATOM 0 HB THR A 116 -12.237 15.662 -8.922 1.00 0.00 H new ATOM 0 HG1 THR A 116 -11.061 15.522 -10.854 1.00 0.00 H new ATOM 0 HG21 THR A 116 -11.141 17.737 -8.162 1.00 0.00 H new ATOM 0 HG22 THR A 116 -11.170 16.502 -6.881 1.00 0.00 H new ATOM 0 HG23 THR A 116 -9.667 16.814 -7.781 1.00 0.00 H new ATOM 1795 N THR A 117 -10.192 12.193 -9.547 1.00 0.00 N ATOM 1796 CA THR A 117 -10.325 11.175 -10.580 1.00 0.00 C ATOM 1797 C THR A 117 -9.856 9.815 -10.075 1.00 0.00 C ATOM 1798 O THR A 117 -8.698 9.650 -9.691 1.00 0.00 O ATOM 1799 CB THR A 117 -9.522 11.546 -11.841 1.00 0.00 C ATOM 1800 OG1 THR A 117 -9.846 12.879 -12.253 1.00 0.00 O ATOM 1801 CG2 THR A 117 -9.814 10.574 -12.974 1.00 0.00 C ATOM 0 H THR A 117 -9.566 11.939 -8.783 1.00 0.00 H new ATOM 0 HA THR A 117 -11.383 11.120 -10.835 1.00 0.00 H new ATOM 0 HB THR A 117 -8.461 11.489 -11.599 1.00 0.00 H new ATOM 0 HG1 THR A 117 -9.315 13.520 -11.735 1.00 0.00 H new ATOM 0 HG21 THR A 117 -9.236 10.856 -13.854 1.00 0.00 H new ATOM 0 HG22 THR A 117 -9.539 9.565 -12.667 1.00 0.00 H new ATOM 0 HG23 THR A 117 -10.877 10.603 -13.214 1.00 0.00 H new ATOM 1809 N VAL A 118 -10.762 8.843 -10.080 1.00 0.00 N ATOM 1810 CA VAL A 118 -10.440 7.496 -9.623 1.00 0.00 C ATOM 1811 C VAL A 118 -11.147 6.444 -10.471 1.00 0.00 C ATOM 1812 O VAL A 118 -12.324 6.573 -10.809 1.00 0.00 O ATOM 1813 CB VAL A 118 -10.829 7.295 -8.146 1.00 0.00 C ATOM 1814 CG1 VAL A 118 -12.329 7.475 -7.960 1.00 0.00 C ATOM 1815 CG2 VAL A 118 -10.384 5.924 -7.660 1.00 0.00 C ATOM 0 H VAL A 118 -11.725 8.963 -10.395 1.00 0.00 H new ATOM 0 HA VAL A 118 -9.361 7.377 -9.726 1.00 0.00 H new ATOM 0 HB VAL A 118 -10.319 8.050 -7.548 1.00 0.00 H new ATOM 0 HG11 VAL A 118 -12.586 7.329 -6.911 1.00 0.00 H new ATOM 0 HG12 VAL A 118 -12.616 8.481 -8.267 1.00 0.00 H new ATOM 0 HG13 VAL A 118 -12.861 6.744 -8.568 1.00 0.00 H new ATOM 0 HG21 VAL A 118 -10.667 5.799 -6.615 1.00 0.00 H new ATOM 0 HG22 VAL A 118 -10.864 5.152 -8.261 1.00 0.00 H new ATOM 0 HG23 VAL A 118 -9.302 5.838 -7.756 1.00 0.00 H new ATOM 1825 N PRO A 119 -10.415 5.377 -10.823 1.00 0.00 N ATOM 1826 CA PRO A 119 -10.952 4.282 -11.635 1.00 0.00 C ATOM 1827 C PRO A 119 -11.980 3.449 -10.878 1.00 0.00 C ATOM 1828 O PRO A 119 -12.114 3.544 -9.658 1.00 0.00 O ATOM 1829 CB PRO A 119 -9.714 3.440 -11.958 1.00 0.00 C ATOM 1830 CG PRO A 119 -8.760 3.728 -10.851 1.00 0.00 C ATOM 1831 CD PRO A 119 -9.006 5.159 -10.455 1.00 0.00 C ATOM 0 HA PRO A 119 -11.477 4.648 -12.517 1.00 0.00 H new ATOM 0 HB2 PRO A 119 -9.958 2.379 -12.004 1.00 0.00 H new ATOM 0 HB3 PRO A 119 -9.292 3.712 -12.925 1.00 0.00 H new ATOM 0 HG2 PRO A 119 -8.925 3.056 -10.009 1.00 0.00 H new ATOM 0 HG3 PRO A 119 -7.730 3.585 -11.176 1.00 0.00 H new ATOM 0 HD2 PRO A 119 -8.840 5.315 -9.389 1.00 0.00 H new ATOM 0 HD3 PRO A 119 -8.342 5.842 -10.984 1.00 0.00 H new ATOM 1839 N PRO A 120 -12.723 2.611 -11.616 1.00 0.00 N ATOM 1840 CA PRO A 120 -13.752 1.743 -11.033 1.00 0.00 C ATOM 1841 C PRO A 120 -13.155 0.625 -10.187 1.00 0.00 C ATOM 1842 O PRO A 120 -12.769 -0.421 -10.706 1.00 0.00 O ATOM 1843 CB PRO A 120 -14.464 1.165 -12.260 1.00 0.00 C ATOM 1844 CG PRO A 120 -13.449 1.223 -13.349 1.00 0.00 C ATOM 1845 CD PRO A 120 -12.617 2.446 -13.075 1.00 0.00 C ATOM 0 HA PRO A 120 -14.412 2.288 -10.358 1.00 0.00 H new ATOM 0 HB2 PRO A 120 -14.794 0.142 -12.081 1.00 0.00 H new ATOM 0 HB3 PRO A 120 -15.351 1.746 -12.514 1.00 0.00 H new ATOM 0 HG2 PRO A 120 -12.832 0.325 -13.355 1.00 0.00 H new ATOM 0 HG3 PRO A 120 -13.928 1.288 -14.326 1.00 0.00 H new ATOM 0 HD2 PRO A 120 -11.583 2.307 -13.390 1.00 0.00 H new ATOM 0 HD3 PRO A 120 -12.997 3.318 -13.607 1.00 0.00 H new ATOM 1853 N GLY A 121 -13.084 0.852 -8.879 1.00 0.00 N ATOM 1854 CA GLY A 121 -12.534 -0.147 -7.982 1.00 0.00 C ATOM 1855 C GLY A 121 -11.780 0.471 -6.820 1.00 0.00 C ATOM 1856 O GLY A 121 -11.369 -0.231 -5.895 1.00 0.00 O ATOM 0 H GLY A 121 -13.398 1.710 -8.425 1.00 0.00 H new ATOM 0 HA2 GLY A 121 -13.342 -0.770 -7.597 1.00 0.00 H new ATOM 0 HA3 GLY A 121 -11.864 -0.802 -8.539 1.00 0.00 H new ATOM 1860 N ALA A 122 -11.598 1.785 -6.866 1.00 0.00 N ATOM 1861 CA ALA A 122 -10.890 2.497 -5.809 1.00 0.00 C ATOM 1862 C ALA A 122 -11.837 3.397 -5.023 1.00 0.00 C ATOM 1863 O ALA A 122 -12.944 3.692 -5.473 1.00 0.00 O ATOM 1864 CB ALA A 122 -9.748 3.313 -6.396 1.00 0.00 C ATOM 0 H ALA A 122 -11.931 2.380 -7.625 1.00 0.00 H new ATOM 0 HA ALA A 122 -10.478 1.759 -5.121 1.00 0.00 H new ATOM 0 HB1 ALA A 122 -9.228 3.839 -5.596 1.00 0.00 H new ATOM 0 HB2 ALA A 122 -9.051 2.648 -6.906 1.00 0.00 H new ATOM 0 HB3 ALA A 122 -10.146 4.037 -7.107 1.00 0.00 H new ATOM 1870 N ARG A 123 -11.393 3.832 -3.848 1.00 0.00 N ATOM 1871 CA ARG A 123 -12.202 4.698 -2.999 1.00 0.00 C ATOM 1872 C ARG A 123 -11.324 5.681 -2.231 1.00 0.00 C ATOM 1873 O ARG A 123 -10.257 5.320 -1.736 1.00 0.00 O ATOM 1874 CB ARG A 123 -13.027 3.861 -2.019 1.00 0.00 C ATOM 1875 CG ARG A 123 -13.296 4.561 -0.697 1.00 0.00 C ATOM 1876 CD ARG A 123 -14.182 3.719 0.209 1.00 0.00 C ATOM 1877 NE ARG A 123 -15.596 3.847 -0.136 1.00 0.00 N ATOM 1878 CZ ARG A 123 -16.584 3.499 0.679 1.00 0.00 C ATOM 1879 NH1 ARG A 123 -16.317 3.004 1.880 1.00 0.00 N ATOM 1880 NH2 ARG A 123 -17.846 3.644 0.293 1.00 0.00 N ATOM 0 H ARG A 123 -10.478 3.599 -3.463 1.00 0.00 H new ATOM 0 HA ARG A 123 -12.877 5.265 -3.640 1.00 0.00 H new ATOM 0 HB2 ARG A 123 -13.978 3.605 -2.485 1.00 0.00 H new ATOM 0 HB3 ARG A 123 -12.504 2.924 -1.825 1.00 0.00 H new ATOM 0 HG2 ARG A 123 -12.351 4.767 -0.194 1.00 0.00 H new ATOM 0 HG3 ARG A 123 -13.774 5.523 -0.884 1.00 0.00 H new ATOM 0 HD2 ARG A 123 -13.884 2.673 0.137 1.00 0.00 H new ATOM 0 HD3 ARG A 123 -14.033 4.022 1.245 1.00 0.00 H new ATOM 0 HE ARG A 123 -15.837 4.224 -1.053 1.00 0.00 H new ATOM 0 HH11 ARG A 123 -15.349 2.889 2.181 1.00 0.00 H new ATOM 0 HH12 ARG A 123 -17.080 2.738 2.503 1.00 0.00 H new ATOM 0 HH21 ARG A 123 -18.057 4.023 -0.630 1.00 0.00 H new ATOM 0 HH22 ARG A 123 -18.605 3.376 0.920 1.00 0.00 H new ATOM 1894 N TRP A 124 -11.782 6.925 -2.137 1.00 0.00 N ATOM 1895 CA TRP A 124 -11.036 7.961 -1.431 1.00 0.00 C ATOM 1896 C TRP A 124 -11.705 8.301 -0.104 1.00 0.00 C ATOM 1897 O TRP A 124 -12.692 9.037 -0.064 1.00 0.00 O ATOM 1898 CB TRP A 124 -10.923 9.216 -2.296 1.00 0.00 C ATOM 1899 CG TRP A 124 -9.717 9.218 -3.186 1.00 0.00 C ATOM 1900 CD1 TRP A 124 -9.633 8.718 -4.453 1.00 0.00 C ATOM 1901 CD2 TRP A 124 -8.422 9.744 -2.872 1.00 0.00 C ATOM 1902 NE1 TRP A 124 -8.363 8.901 -4.948 1.00 0.00 N ATOM 1903 CE2 TRP A 124 -7.602 9.528 -3.998 1.00 0.00 C ATOM 1904 CE3 TRP A 124 -7.877 10.377 -1.753 1.00 0.00 C ATOM 1905 CZ2 TRP A 124 -6.267 9.923 -4.032 1.00 0.00 C ATOM 1906 CZ3 TRP A 124 -6.552 10.768 -1.788 1.00 0.00 C ATOM 1907 CH2 TRP A 124 -5.760 10.541 -2.921 1.00 0.00 C ATOM 0 H TRP A 124 -12.664 7.240 -2.540 1.00 0.00 H new ATOM 0 HA TRP A 124 -10.036 7.580 -1.226 1.00 0.00 H new ATOM 0 HB2 TRP A 124 -11.819 9.307 -2.910 1.00 0.00 H new ATOM 0 HB3 TRP A 124 -10.890 10.093 -1.649 1.00 0.00 H new ATOM 0 HD1 TRP A 124 -10.445 8.248 -4.988 1.00 0.00 H new ATOM 0 HE1 TRP A 124 -8.040 8.616 -5.873 1.00 0.00 H new ATOM 0 HE3 TRP A 124 -8.480 10.558 -0.876 1.00 0.00 H new ATOM 0 HZ2 TRP A 124 -5.654 9.748 -4.904 1.00 0.00 H new ATOM 0 HZ3 TRP A 124 -6.120 11.257 -0.927 1.00 0.00 H new ATOM 0 HH2 TRP A 124 -4.728 10.860 -2.918 1.00 0.00 H new ATOM 1918 N LEU A 125 -11.161 7.765 0.983 1.00 0.00 N ATOM 1919 CA LEU A 125 -11.705 8.012 2.314 1.00 0.00 C ATOM 1920 C LEU A 125 -10.676 8.704 3.202 1.00 0.00 C ATOM 1921 O LEU A 125 -9.503 8.813 2.844 1.00 0.00 O ATOM 1922 CB LEU A 125 -12.151 6.698 2.958 1.00 0.00 C ATOM 1923 CG LEU A 125 -11.176 5.525 2.833 1.00 0.00 C ATOM 1924 CD1 LEU A 125 -10.025 5.681 3.813 1.00 0.00 C ATOM 1925 CD2 LEU A 125 -11.899 4.206 3.060 1.00 0.00 C ATOM 0 H LEU A 125 -10.343 7.156 0.969 1.00 0.00 H new ATOM 0 HA LEU A 125 -12.569 8.669 2.210 1.00 0.00 H new ATOM 0 HB2 LEU A 125 -12.336 6.880 4.017 1.00 0.00 H new ATOM 0 HB3 LEU A 125 -13.102 6.403 2.514 1.00 0.00 H new ATOM 0 HG LEU A 125 -10.767 5.523 1.823 1.00 0.00 H new ATOM 0 HD11 LEU A 125 -9.342 4.838 3.710 1.00 0.00 H new ATOM 0 HD12 LEU A 125 -9.491 6.608 3.603 1.00 0.00 H new ATOM 0 HD13 LEU A 125 -10.415 5.709 4.831 1.00 0.00 H new ATOM 0 HD21 LEU A 125 -11.191 3.382 2.967 1.00 0.00 H new ATOM 0 HD22 LEU A 125 -12.337 4.198 4.058 1.00 0.00 H new ATOM 0 HD23 LEU A 125 -12.688 4.091 2.317 1.00 0.00 H new ATOM 1937 N THR A 126 -11.123 9.167 4.366 1.00 0.00 N ATOM 1938 CA THR A 126 -10.242 9.846 5.307 1.00 0.00 C ATOM 1939 C THR A 126 -9.504 8.847 6.190 1.00 0.00 C ATOM 1940 O THR A 126 -9.856 7.669 6.236 1.00 0.00 O ATOM 1941 CB THR A 126 -11.024 10.826 6.202 1.00 0.00 C ATOM 1942 OG1 THR A 126 -11.682 10.109 7.252 1.00 0.00 O ATOM 1943 CG2 THR A 126 -12.049 11.602 5.389 1.00 0.00 C ATOM 0 H THR A 126 -12.090 9.084 4.679 1.00 0.00 H new ATOM 0 HA THR A 126 -9.518 10.405 4.714 1.00 0.00 H new ATOM 0 HB THR A 126 -10.317 11.534 6.634 1.00 0.00 H new ATOM 0 HG1 THR A 126 -12.176 10.738 7.818 1.00 0.00 H new ATOM 0 HG21 THR A 126 -12.589 12.287 6.043 1.00 0.00 H new ATOM 0 HG22 THR A 126 -11.541 12.169 4.609 1.00 0.00 H new ATOM 0 HG23 THR A 126 -12.753 10.907 4.932 1.00 0.00 H new ATOM 1951 N GLN A 127 -8.479 9.324 6.889 1.00 0.00 N ATOM 1952 CA GLN A 127 -7.693 8.471 7.771 1.00 0.00 C ATOM 1953 C GLN A 127 -8.594 7.698 8.728 1.00 0.00 C ATOM 1954 O GLN A 127 -8.522 6.473 8.809 1.00 0.00 O ATOM 1955 CB GLN A 127 -6.687 9.309 8.563 1.00 0.00 C ATOM 1956 CG GLN A 127 -5.628 9.969 7.696 1.00 0.00 C ATOM 1957 CD GLN A 127 -5.001 11.179 8.360 1.00 0.00 C ATOM 1958 OE1 GLN A 127 -3.904 11.099 8.913 1.00 0.00 O ATOM 1959 NE2 GLN A 127 -5.696 12.309 8.310 1.00 0.00 N ATOM 0 H GLN A 127 -8.174 10.297 6.861 1.00 0.00 H new ATOM 0 HA GLN A 127 -7.152 7.754 7.153 1.00 0.00 H new ATOM 0 HB2 GLN A 127 -7.224 10.080 9.115 1.00 0.00 H new ATOM 0 HB3 GLN A 127 -6.197 8.672 9.299 1.00 0.00 H new ATOM 0 HG2 GLN A 127 -4.849 9.242 7.464 1.00 0.00 H new ATOM 0 HG3 GLN A 127 -6.075 10.270 6.749 1.00 0.00 H new ATOM 0 HE21 GLN A 127 -6.602 12.330 7.841 1.00 0.00 H new ATOM 0 HE22 GLN A 127 -5.324 13.156 8.740 1.00 0.00 H new ATOM 1968 N GLU A 128 -9.442 8.424 9.450 1.00 0.00 N ATOM 1969 CA GLU A 128 -10.358 7.806 10.403 1.00 0.00 C ATOM 1970 C GLU A 128 -11.204 6.732 9.724 1.00 0.00 C ATOM 1971 O GLU A 128 -11.301 5.605 10.209 1.00 0.00 O ATOM 1972 CB GLU A 128 -11.264 8.864 11.033 1.00 0.00 C ATOM 1973 CG GLU A 128 -10.565 9.723 12.072 1.00 0.00 C ATOM 1974 CD GLU A 128 -9.487 10.605 11.471 1.00 0.00 C ATOM 1975 OE1 GLU A 128 -9.835 11.645 10.876 1.00 0.00 O ATOM 1976 OE2 GLU A 128 -8.295 10.251 11.596 1.00 0.00 O ATOM 0 H GLU A 128 -9.514 9.440 9.394 1.00 0.00 H new ATOM 0 HA GLU A 128 -9.765 7.335 11.187 1.00 0.00 H new ATOM 0 HB2 GLU A 128 -11.658 9.508 10.247 1.00 0.00 H new ATOM 0 HB3 GLU A 128 -12.117 8.370 11.497 1.00 0.00 H new ATOM 0 HG2 GLU A 128 -11.302 10.349 12.576 1.00 0.00 H new ATOM 0 HG3 GLU A 128 -10.121 9.079 12.831 1.00 0.00 H new ATOM 1983 N GLU A 129 -11.816 7.093 8.600 1.00 0.00 N ATOM 1984 CA GLU A 129 -12.657 6.161 7.856 1.00 0.00 C ATOM 1985 C GLU A 129 -11.952 4.819 7.675 1.00 0.00 C ATOM 1986 O GLU A 129 -12.472 3.775 8.069 1.00 0.00 O ATOM 1987 CB GLU A 129 -13.020 6.747 6.491 1.00 0.00 C ATOM 1988 CG GLU A 129 -14.160 7.751 6.544 1.00 0.00 C ATOM 1989 CD GLU A 129 -15.511 7.090 6.730 1.00 0.00 C ATOM 1990 OE1 GLU A 129 -15.820 6.684 7.871 1.00 0.00 O ATOM 1991 OE2 GLU A 129 -16.261 6.980 5.738 1.00 0.00 O ATOM 0 H GLU A 129 -11.746 8.022 8.185 1.00 0.00 H new ATOM 0 HA GLU A 129 -13.570 5.998 8.428 1.00 0.00 H new ATOM 0 HB2 GLU A 129 -12.140 7.231 6.067 1.00 0.00 H new ATOM 0 HB3 GLU A 129 -13.293 5.935 5.817 1.00 0.00 H new ATOM 0 HG2 GLU A 129 -13.986 8.450 7.362 1.00 0.00 H new ATOM 0 HG3 GLU A 129 -14.169 8.334 5.623 1.00 0.00 H new ATOM 1998 N PHE A 130 -10.767 4.856 7.074 1.00 0.00 N ATOM 1999 CA PHE A 130 -9.992 3.644 6.839 1.00 0.00 C ATOM 2000 C PHE A 130 -10.101 2.689 8.024 1.00 0.00 C ATOM 2001 O PHE A 130 -10.585 1.564 7.887 1.00 0.00 O ATOM 2002 CB PHE A 130 -8.524 3.993 6.585 1.00 0.00 C ATOM 2003 CG PHE A 130 -7.590 2.832 6.780 1.00 0.00 C ATOM 2004 CD1 PHE A 130 -7.043 2.567 8.025 1.00 0.00 C ATOM 2005 CD2 PHE A 130 -7.258 2.008 5.717 1.00 0.00 C ATOM 2006 CE1 PHE A 130 -6.183 1.502 8.206 1.00 0.00 C ATOM 2007 CE2 PHE A 130 -6.398 0.940 5.892 1.00 0.00 C ATOM 2008 CZ PHE A 130 -5.861 0.686 7.139 1.00 0.00 C ATOM 0 H PHE A 130 -10.323 5.712 6.741 1.00 0.00 H new ATOM 0 HA PHE A 130 -10.399 3.149 5.957 1.00 0.00 H new ATOM 0 HB2 PHE A 130 -8.419 4.367 5.567 1.00 0.00 H new ATOM 0 HB3 PHE A 130 -8.230 4.802 7.254 1.00 0.00 H new ATOM 0 HD1 PHE A 130 -7.292 3.201 8.863 1.00 0.00 H new ATOM 0 HD2 PHE A 130 -7.676 2.202 4.740 1.00 0.00 H new ATOM 0 HE1 PHE A 130 -5.762 1.307 9.181 1.00 0.00 H new ATOM 0 HE2 PHE A 130 -6.146 0.305 5.055 1.00 0.00 H new ATOM 0 HZ PHE A 130 -5.191 -0.149 7.280 1.00 0.00 H new ATOM 2018 N HIS A 131 -9.649 3.144 9.188 1.00 0.00 N ATOM 2019 CA HIS A 131 -9.696 2.331 10.398 1.00 0.00 C ATOM 2020 C HIS A 131 -10.967 1.490 10.437 1.00 0.00 C ATOM 2021 O HIS A 131 -10.911 0.259 10.443 1.00 0.00 O ATOM 2022 CB HIS A 131 -9.621 3.221 11.639 1.00 0.00 C ATOM 2023 CG HIS A 131 -8.221 3.496 12.095 1.00 0.00 C ATOM 2024 ND1 HIS A 131 -7.190 2.593 11.945 1.00 0.00 N ATOM 2025 CD2 HIS A 131 -7.683 4.580 12.701 1.00 0.00 C ATOM 2026 CE1 HIS A 131 -6.079 3.110 12.439 1.00 0.00 C ATOM 2027 NE2 HIS A 131 -6.352 4.316 12.904 1.00 0.00 N ATOM 0 H HIS A 131 -9.246 4.072 9.319 1.00 0.00 H new ATOM 0 HA HIS A 131 -8.837 1.660 10.389 1.00 0.00 H new ATOM 0 HB2 HIS A 131 -10.118 4.168 11.428 1.00 0.00 H new ATOM 0 HB3 HIS A 131 -10.172 2.746 12.451 1.00 0.00 H new ATOM 0 HD1 HIS A 131 -7.272 1.670 11.519 1.00 0.00 H new ATOM 0 HD2 HIS A 131 -8.205 5.485 12.974 1.00 0.00 H new ATOM 0 HE1 HIS A 131 -5.112 2.629 12.459 1.00 0.00 H new ATOM 2036 N THR A 132 -12.115 2.160 10.466 1.00 0.00 N ATOM 2037 CA THR A 132 -13.401 1.474 10.508 1.00 0.00 C ATOM 2038 C THR A 132 -13.557 0.528 9.323 1.00 0.00 C ATOM 2039 O THR A 132 -14.099 -0.568 9.459 1.00 0.00 O ATOM 2040 CB THR A 132 -14.571 2.474 10.509 1.00 0.00 C ATOM 2041 OG1 THR A 132 -14.597 3.199 9.275 1.00 0.00 O ATOM 2042 CG2 THR A 132 -14.451 3.447 11.673 1.00 0.00 C ATOM 0 H THR A 132 -12.180 3.178 10.461 1.00 0.00 H new ATOM 0 HA THR A 132 -13.423 0.900 11.434 1.00 0.00 H new ATOM 0 HB THR A 132 -15.499 1.913 10.620 1.00 0.00 H new ATOM 0 HG1 THR A 132 -13.703 3.553 9.084 1.00 0.00 H new ATOM 0 HG21 THR A 132 -15.289 4.144 11.653 1.00 0.00 H new ATOM 0 HG22 THR A 132 -14.462 2.894 12.612 1.00 0.00 H new ATOM 0 HG23 THR A 132 -13.516 4.001 11.589 1.00 0.00 H new ATOM 2050 N ALA A 133 -13.077 0.958 8.161 1.00 0.00 N ATOM 2051 CA ALA A 133 -13.161 0.146 6.952 1.00 0.00 C ATOM 2052 C ALA A 133 -12.658 -1.271 7.206 1.00 0.00 C ATOM 2053 O ALA A 133 -11.887 -1.509 8.135 1.00 0.00 O ATOM 2054 CB ALA A 133 -12.371 0.795 5.826 1.00 0.00 C ATOM 0 H ALA A 133 -12.626 1.864 8.031 1.00 0.00 H new ATOM 0 HA ALA A 133 -14.209 0.083 6.657 1.00 0.00 H new ATOM 0 HB1 ALA A 133 -12.442 0.179 4.930 1.00 0.00 H new ATOM 0 HB2 ALA A 133 -12.778 1.785 5.619 1.00 0.00 H new ATOM 0 HB3 ALA A 133 -11.326 0.887 6.121 1.00 0.00 H new ATOM 2060 N ALA A 134 -13.101 -2.208 6.375 1.00 0.00 N ATOM 2061 CA ALA A 134 -12.695 -3.602 6.509 1.00 0.00 C ATOM 2062 C ALA A 134 -11.281 -3.814 5.978 1.00 0.00 C ATOM 2063 O ALA A 134 -11.074 -3.955 4.773 1.00 0.00 O ATOM 2064 CB ALA A 134 -13.675 -4.509 5.782 1.00 0.00 C ATOM 0 H ALA A 134 -13.741 -2.028 5.602 1.00 0.00 H new ATOM 0 HA ALA A 134 -12.700 -3.857 7.569 1.00 0.00 H new ATOM 0 HB1 ALA A 134 -13.359 -5.547 5.890 1.00 0.00 H new ATOM 0 HB2 ALA A 134 -14.670 -4.386 6.209 1.00 0.00 H new ATOM 0 HB3 ALA A 134 -13.699 -4.246 4.725 1.00 0.00 H new ATOM 2070 N VAL A 135 -10.310 -3.838 6.886 1.00 0.00 N ATOM 2071 CA VAL A 135 -8.916 -4.033 6.510 1.00 0.00 C ATOM 2072 C VAL A 135 -8.273 -5.141 7.339 1.00 0.00 C ATOM 2073 O VAL A 135 -8.597 -5.318 8.512 1.00 0.00 O ATOM 2074 CB VAL A 135 -8.100 -2.739 6.683 1.00 0.00 C ATOM 2075 CG1 VAL A 135 -6.962 -2.685 5.675 1.00 0.00 C ATOM 2076 CG2 VAL A 135 -9.001 -1.520 6.548 1.00 0.00 C ATOM 0 H VAL A 135 -10.464 -3.725 7.888 1.00 0.00 H new ATOM 0 HA VAL A 135 -8.910 -4.319 5.458 1.00 0.00 H new ATOM 0 HB VAL A 135 -7.667 -2.734 7.683 1.00 0.00 H new ATOM 0 HG11 VAL A 135 -6.397 -1.763 5.813 1.00 0.00 H new ATOM 0 HG12 VAL A 135 -6.303 -3.540 5.824 1.00 0.00 H new ATOM 0 HG13 VAL A 135 -7.369 -2.713 4.664 1.00 0.00 H new ATOM 0 HG21 VAL A 135 -8.408 -0.614 6.673 1.00 0.00 H new ATOM 0 HG22 VAL A 135 -9.464 -1.517 5.561 1.00 0.00 H new ATOM 0 HG23 VAL A 135 -9.777 -1.554 7.313 1.00 0.00 H new ATOM 2086 N SER A 136 -7.360 -5.882 6.720 1.00 0.00 N ATOM 2087 CA SER A 136 -6.673 -6.974 7.399 1.00 0.00 C ATOM 2088 C SER A 136 -5.638 -6.437 8.383 1.00 0.00 C ATOM 2089 O SER A 136 -5.129 -5.327 8.223 1.00 0.00 O ATOM 2090 CB SER A 136 -5.997 -7.892 6.379 1.00 0.00 C ATOM 2091 OG SER A 136 -5.106 -8.791 7.015 1.00 0.00 O ATOM 0 H SER A 136 -7.079 -5.746 5.749 1.00 0.00 H new ATOM 0 HA SER A 136 -7.415 -7.546 7.956 1.00 0.00 H new ATOM 0 HB2 SER A 136 -6.755 -8.452 5.831 1.00 0.00 H new ATOM 0 HB3 SER A 136 -5.454 -7.292 5.649 1.00 0.00 H new ATOM 0 HG SER A 136 -4.688 -9.368 6.342 1.00 0.00 H new ATOM 2097 N THR A 137 -5.329 -7.234 9.401 1.00 0.00 N ATOM 2098 CA THR A 137 -4.356 -6.839 10.412 1.00 0.00 C ATOM 2099 C THR A 137 -3.148 -6.160 9.777 1.00 0.00 C ATOM 2100 O THR A 137 -2.918 -4.968 9.977 1.00 0.00 O ATOM 2101 CB THR A 137 -3.876 -8.051 11.233 1.00 0.00 C ATOM 2102 OG1 THR A 137 -4.984 -8.649 11.917 1.00 0.00 O ATOM 2103 CG2 THR A 137 -2.816 -7.636 12.241 1.00 0.00 C ATOM 0 H THR A 137 -5.738 -8.157 9.547 1.00 0.00 H new ATOM 0 HA THR A 137 -4.858 -6.135 11.076 1.00 0.00 H new ATOM 0 HB THR A 137 -3.438 -8.776 10.547 1.00 0.00 H new ATOM 0 HG1 THR A 137 -4.671 -9.420 12.435 1.00 0.00 H new ATOM 0 HG21 THR A 137 -2.493 -8.508 12.809 1.00 0.00 H new ATOM 0 HG22 THR A 137 -1.962 -7.208 11.716 1.00 0.00 H new ATOM 0 HG23 THR A 137 -3.232 -6.894 12.922 1.00 0.00 H new ATOM 2111 N ALA A 138 -2.380 -6.927 9.009 1.00 0.00 N ATOM 2112 CA ALA A 138 -1.197 -6.398 8.342 1.00 0.00 C ATOM 2113 C ALA A 138 -1.441 -4.982 7.832 1.00 0.00 C ATOM 2114 O ALA A 138 -0.783 -4.035 8.264 1.00 0.00 O ATOM 2115 CB ALA A 138 -0.786 -7.309 7.196 1.00 0.00 C ATOM 0 H ALA A 138 -2.556 -7.916 8.834 1.00 0.00 H new ATOM 0 HA ALA A 138 -0.387 -6.359 9.070 1.00 0.00 H new ATOM 0 HB1 ALA A 138 0.099 -6.902 6.707 1.00 0.00 H new ATOM 0 HB2 ALA A 138 -0.561 -8.303 7.584 1.00 0.00 H new ATOM 0 HB3 ALA A 138 -1.601 -7.377 6.475 1.00 0.00 H new ATOM 2121 N MET A 139 -2.391 -4.843 6.913 1.00 0.00 N ATOM 2122 CA MET A 139 -2.722 -3.542 6.346 1.00 0.00 C ATOM 2123 C MET A 139 -2.955 -2.512 7.447 1.00 0.00 C ATOM 2124 O MET A 139 -2.352 -1.438 7.446 1.00 0.00 O ATOM 2125 CB MET A 139 -3.964 -3.648 5.459 1.00 0.00 C ATOM 2126 CG MET A 139 -3.855 -4.720 4.387 1.00 0.00 C ATOM 2127 SD MET A 139 -2.262 -4.700 3.544 1.00 0.00 S ATOM 2128 CE MET A 139 -2.126 -2.964 3.119 1.00 0.00 C ATOM 0 H MET A 139 -2.945 -5.616 6.545 1.00 0.00 H new ATOM 0 HA MET A 139 -1.879 -3.214 5.739 1.00 0.00 H new ATOM 0 HB2 MET A 139 -4.831 -3.859 6.085 1.00 0.00 H new ATOM 0 HB3 MET A 139 -4.143 -2.685 4.981 1.00 0.00 H new ATOM 0 HG2 MET A 139 -4.009 -5.699 4.841 1.00 0.00 H new ATOM 0 HG3 MET A 139 -4.651 -4.579 3.655 1.00 0.00 H new ATOM 0 HE1 MET A 139 -1.823 -2.867 2.077 1.00 0.00 H new ATOM 0 HE2 MET A 139 -3.091 -2.478 3.263 1.00 0.00 H new ATOM 0 HE3 MET A 139 -1.382 -2.490 3.759 1.00 0.00 H new ATOM 2138 N LYS A 140 -3.834 -2.846 8.386 1.00 0.00 N ATOM 2139 CA LYS A 140 -4.147 -1.952 9.494 1.00 0.00 C ATOM 2140 C LYS A 140 -2.872 -1.445 10.162 1.00 0.00 C ATOM 2141 O LYS A 140 -2.847 -0.352 10.728 1.00 0.00 O ATOM 2142 CB LYS A 140 -5.024 -2.668 10.523 1.00 0.00 C ATOM 2143 CG LYS A 140 -6.481 -2.780 10.108 1.00 0.00 C ATOM 2144 CD LYS A 140 -7.396 -2.908 11.314 1.00 0.00 C ATOM 2145 CE LYS A 140 -8.769 -2.315 11.039 1.00 0.00 C ATOM 2146 NZ LYS A 140 -9.722 -2.580 12.152 1.00 0.00 N ATOM 0 H LYS A 140 -4.342 -3.730 8.401 1.00 0.00 H new ATOM 0 HA LYS A 140 -4.692 -1.097 9.094 1.00 0.00 H new ATOM 0 HB2 LYS A 140 -4.626 -3.668 10.694 1.00 0.00 H new ATOM 0 HB3 LYS A 140 -4.965 -2.135 11.472 1.00 0.00 H new ATOM 0 HG2 LYS A 140 -6.763 -1.902 9.527 1.00 0.00 H new ATOM 0 HG3 LYS A 140 -6.610 -3.646 9.459 1.00 0.00 H new ATOM 0 HD2 LYS A 140 -7.500 -3.959 11.583 1.00 0.00 H new ATOM 0 HD3 LYS A 140 -6.945 -2.403 12.169 1.00 0.00 H new ATOM 0 HE2 LYS A 140 -8.676 -1.239 10.889 1.00 0.00 H new ATOM 0 HE3 LYS A 140 -9.166 -2.733 10.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 140 -10.646 -2.159 11.926 1.00 0.00 H new ATOM 0 HZ2 LYS A 140 -9.831 -3.606 12.279 1.00 0.00 H new ATOM 0 HZ3 LYS A 140 -9.356 -2.159 13.030 1.00 0.00 H new ATOM 2160 N LYS A 141 -1.814 -2.246 10.089 1.00 0.00 N ATOM 2161 CA LYS A 141 -0.534 -1.879 10.685 1.00 0.00 C ATOM 2162 C LYS A 141 0.233 -0.924 9.776 1.00 0.00 C ATOM 2163 O LYS A 141 1.061 -0.140 10.240 1.00 0.00 O ATOM 2164 CB LYS A 141 0.304 -3.130 10.953 1.00 0.00 C ATOM 2165 CG LYS A 141 -0.526 -4.370 11.234 1.00 0.00 C ATOM 2166 CD LYS A 141 0.211 -5.340 12.142 1.00 0.00 C ATOM 2167 CE LYS A 141 1.364 -6.017 11.416 1.00 0.00 C ATOM 2168 NZ LYS A 141 2.628 -5.241 11.540 1.00 0.00 N ATOM 0 H LYS A 141 -1.817 -3.153 9.623 1.00 0.00 H new ATOM 0 HA LYS A 141 -0.732 -1.374 11.630 1.00 0.00 H new ATOM 0 HB2 LYS A 141 0.944 -3.319 10.092 1.00 0.00 H new ATOM 0 HB3 LYS A 141 0.960 -2.942 11.803 1.00 0.00 H new ATOM 0 HG2 LYS A 141 -1.469 -4.080 11.698 1.00 0.00 H new ATOM 0 HG3 LYS A 141 -0.772 -4.865 10.295 1.00 0.00 H new ATOM 0 HD2 LYS A 141 0.591 -4.807 13.013 1.00 0.00 H new ATOM 0 HD3 LYS A 141 -0.483 -6.096 12.509 1.00 0.00 H new ATOM 0 HE2 LYS A 141 1.511 -7.018 11.821 1.00 0.00 H new ATOM 0 HE3 LYS A 141 1.111 -6.134 10.362 1.00 0.00 H new ATOM 0 HZ1 LYS A 141 3.421 -5.810 11.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 141 2.553 -4.364 10.985 1.00 0.00 H new ATOM 0 HZ3 LYS A 141 2.794 -5.005 12.539 1.00 0.00 H new ATOM 2182 N VAL A 142 -0.047 -0.993 8.478 1.00 0.00 N ATOM 2183 CA VAL A 142 0.615 -0.134 7.505 1.00 0.00 C ATOM 2184 C VAL A 142 0.246 1.329 7.723 1.00 0.00 C ATOM 2185 O VAL A 142 1.009 2.231 7.375 1.00 0.00 O ATOM 2186 CB VAL A 142 0.252 -0.534 6.063 1.00 0.00 C ATOM 2187 CG1 VAL A 142 0.588 0.590 5.095 1.00 0.00 C ATOM 2188 CG2 VAL A 142 0.966 -1.819 5.671 1.00 0.00 C ATOM 0 H VAL A 142 -0.729 -1.636 8.076 1.00 0.00 H new ATOM 0 HA VAL A 142 1.688 -0.261 7.650 1.00 0.00 H new ATOM 0 HB VAL A 142 -0.822 -0.713 6.014 1.00 0.00 H new ATOM 0 HG11 VAL A 142 0.324 0.288 4.081 1.00 0.00 H new ATOM 0 HG12 VAL A 142 0.025 1.484 5.366 1.00 0.00 H new ATOM 0 HG13 VAL A 142 1.656 0.805 5.143 1.00 0.00 H new ATOM 0 HG21 VAL A 142 0.698 -2.087 4.649 1.00 0.00 H new ATOM 0 HG22 VAL A 142 2.044 -1.671 5.736 1.00 0.00 H new ATOM 0 HG23 VAL A 142 0.668 -2.621 6.346 1.00 0.00 H new ATOM 2198 N PHE A 143 -0.929 1.557 8.302 1.00 0.00 N ATOM 2199 CA PHE A 143 -1.400 2.912 8.566 1.00 0.00 C ATOM 2200 C PHE A 143 -0.734 3.486 9.814 1.00 0.00 C ATOM 2201 O PHE A 143 -0.035 4.497 9.747 1.00 0.00 O ATOM 2202 CB PHE A 143 -2.920 2.921 8.736 1.00 0.00 C ATOM 2203 CG PHE A 143 -3.454 4.212 9.288 1.00 0.00 C ATOM 2204 CD1 PHE A 143 -3.674 5.298 8.456 1.00 0.00 C ATOM 2205 CD2 PHE A 143 -3.734 4.340 10.639 1.00 0.00 C ATOM 2206 CE1 PHE A 143 -4.165 6.487 8.962 1.00 0.00 C ATOM 2207 CE2 PHE A 143 -4.227 5.526 11.149 1.00 0.00 C ATOM 2208 CZ PHE A 143 -4.441 6.601 10.311 1.00 0.00 C ATOM 0 H PHE A 143 -1.572 0.822 8.597 1.00 0.00 H new ATOM 0 HA PHE A 143 -1.132 3.536 7.713 1.00 0.00 H new ATOM 0 HB2 PHE A 143 -3.387 2.727 7.770 1.00 0.00 H new ATOM 0 HB3 PHE A 143 -3.208 2.105 9.399 1.00 0.00 H new ATOM 0 HD1 PHE A 143 -3.460 5.215 7.401 1.00 0.00 H new ATOM 0 HD2 PHE A 143 -3.565 3.503 11.301 1.00 0.00 H new ATOM 0 HE1 PHE A 143 -4.333 7.326 8.303 1.00 0.00 H new ATOM 0 HE2 PHE A 143 -4.445 5.611 12.203 1.00 0.00 H new ATOM 0 HZ PHE A 143 -4.823 7.529 10.709 1.00 0.00 H new ATOM 2218 N ARG A 144 -0.956 2.832 10.948 1.00 0.00 N ATOM 2219 CA ARG A 144 -0.379 3.278 12.212 1.00 0.00 C ATOM 2220 C ARG A 144 1.113 3.557 12.060 1.00 0.00 C ATOM 2221 O ARG A 144 1.644 4.494 12.656 1.00 0.00 O ATOM 2222 CB ARG A 144 -0.603 2.225 13.298 1.00 0.00 C ATOM 2223 CG ARG A 144 -0.359 0.800 12.827 1.00 0.00 C ATOM 2224 CD ARG A 144 -0.577 -0.203 13.948 1.00 0.00 C ATOM 2225 NE ARG A 144 -1.985 -0.552 14.107 1.00 0.00 N ATOM 2226 CZ ARG A 144 -2.836 0.143 14.853 1.00 0.00 C ATOM 2227 NH1 ARG A 144 -2.422 1.219 15.507 1.00 0.00 N ATOM 2228 NH2 ARG A 144 -4.103 -0.237 14.947 1.00 0.00 N ATOM 0 H ARG A 144 -1.530 1.992 11.019 1.00 0.00 H new ATOM 0 HA ARG A 144 -0.876 4.203 12.503 1.00 0.00 H new ATOM 0 HB2 ARG A 144 0.056 2.438 14.140 1.00 0.00 H new ATOM 0 HB3 ARG A 144 -1.626 2.307 13.666 1.00 0.00 H new ATOM 0 HG2 ARG A 144 -1.028 0.571 11.997 1.00 0.00 H new ATOM 0 HG3 ARG A 144 0.660 0.710 12.450 1.00 0.00 H new ATOM 0 HD2 ARG A 144 -0.001 -1.106 13.743 1.00 0.00 H new ATOM 0 HD3 ARG A 144 -0.199 0.211 14.883 1.00 0.00 H new ATOM 0 HE ARG A 144 -2.335 -1.376 13.618 1.00 0.00 H new ATOM 0 HH11 ARG A 144 -1.448 1.515 15.438 1.00 0.00 H new ATOM 0 HH12 ARG A 144 -3.077 1.751 16.079 1.00 0.00 H new ATOM 0 HH21 ARG A 144 -4.426 -1.065 14.446 1.00 0.00 H new ATOM 0 HH22 ARG A 144 -4.755 0.298 15.521 1.00 0.00 H new ATOM 2242 N VAL A 145 1.785 2.738 11.257 1.00 0.00 N ATOM 2243 CA VAL A 145 3.216 2.896 11.026 1.00 0.00 C ATOM 2244 C VAL A 145 3.511 4.192 10.279 1.00 0.00 C ATOM 2245 O VAL A 145 4.509 4.861 10.546 1.00 0.00 O ATOM 2246 CB VAL A 145 3.789 1.712 10.224 1.00 0.00 C ATOM 2247 CG1 VAL A 145 5.256 1.950 9.896 1.00 0.00 C ATOM 2248 CG2 VAL A 145 3.610 0.412 10.994 1.00 0.00 C ATOM 0 H VAL A 145 1.361 1.958 10.755 1.00 0.00 H new ATOM 0 HA VAL A 145 3.694 2.927 12.005 1.00 0.00 H new ATOM 0 HB VAL A 145 3.240 1.630 9.286 1.00 0.00 H new ATOM 0 HG11 VAL A 145 5.644 1.104 9.329 1.00 0.00 H new ATOM 0 HG12 VAL A 145 5.353 2.859 9.303 1.00 0.00 H new ATOM 0 HG13 VAL A 145 5.823 2.058 10.821 1.00 0.00 H new ATOM 0 HG21 VAL A 145 4.020 -0.414 10.413 1.00 0.00 H new ATOM 0 HG22 VAL A 145 4.132 0.479 11.948 1.00 0.00 H new ATOM 0 HG23 VAL A 145 2.549 0.238 11.173 1.00 0.00 H new ATOM 2258 N TYR A 146 2.636 4.540 9.341 1.00 0.00 N ATOM 2259 CA TYR A 146 2.803 5.756 8.554 1.00 0.00 C ATOM 2260 C TYR A 146 2.487 6.994 9.388 1.00 0.00 C ATOM 2261 O TYR A 146 3.083 8.053 9.196 1.00 0.00 O ATOM 2262 CB TYR A 146 1.903 5.716 7.318 1.00 0.00 C ATOM 2263 CG TYR A 146 1.480 7.084 6.833 1.00 0.00 C ATOM 2264 CD1 TYR A 146 2.374 7.913 6.166 1.00 0.00 C ATOM 2265 CD2 TYR A 146 0.187 7.547 7.041 1.00 0.00 C ATOM 2266 CE1 TYR A 146 1.992 9.164 5.722 1.00 0.00 C ATOM 2267 CE2 TYR A 146 -0.205 8.796 6.598 1.00 0.00 C ATOM 2268 CZ TYR A 146 0.702 9.601 5.939 1.00 0.00 C ATOM 2269 OH TYR A 146 0.317 10.846 5.498 1.00 0.00 O ATOM 0 H TYR A 146 1.805 3.997 9.108 1.00 0.00 H new ATOM 0 HA TYR A 146 3.844 5.812 8.236 1.00 0.00 H new ATOM 0 HB2 TYR A 146 2.428 5.201 6.513 1.00 0.00 H new ATOM 0 HB3 TYR A 146 1.013 5.129 7.546 1.00 0.00 H new ATOM 0 HD1 TYR A 146 3.384 7.573 5.992 1.00 0.00 H new ATOM 0 HD2 TYR A 146 -0.524 6.920 7.558 1.00 0.00 H new ATOM 0 HE1 TYR A 146 2.700 9.797 5.207 1.00 0.00 H new ATOM 0 HE2 TYR A 146 -1.215 9.140 6.766 1.00 0.00 H new ATOM 0 HH TYR A 146 -0.623 10.999 5.730 1.00 0.00 H new ATOM 2279 N GLN A 147 1.545 6.850 10.314 1.00 0.00 N ATOM 2280 CA GLN A 147 1.148 7.955 11.178 1.00 0.00 C ATOM 2281 C GLN A 147 2.207 8.221 12.243 1.00 0.00 C ATOM 2282 O GLN A 147 2.162 9.235 12.939 1.00 0.00 O ATOM 2283 CB GLN A 147 -0.196 7.655 11.843 1.00 0.00 C ATOM 2284 CG GLN A 147 -1.392 7.905 10.938 1.00 0.00 C ATOM 2285 CD GLN A 147 -2.642 8.274 11.712 1.00 0.00 C ATOM 2286 OE1 GLN A 147 -3.244 9.322 11.477 1.00 0.00 O ATOM 2287 NE2 GLN A 147 -3.039 7.413 12.642 1.00 0.00 N ATOM 0 H GLN A 147 1.043 5.979 10.485 1.00 0.00 H new ATOM 0 HA GLN A 147 1.048 8.847 10.560 1.00 0.00 H new ATOM 0 HB2 GLN A 147 -0.207 6.614 12.167 1.00 0.00 H new ATOM 0 HB3 GLN A 147 -0.294 8.269 12.738 1.00 0.00 H new ATOM 0 HG2 GLN A 147 -1.153 8.706 10.239 1.00 0.00 H new ATOM 0 HG3 GLN A 147 -1.587 7.012 10.345 1.00 0.00 H new ATOM 0 HE21 GLN A 147 -2.509 6.556 12.803 1.00 0.00 H new ATOM 0 HE22 GLN A 147 -3.873 7.608 13.195 1.00 0.00 H new