USER MOD reduce.3.24.130724 H: found=0, std=0, add=978, rem=0, adj=25 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 99 LYS NZ :NH3+ 132:sc= -0.304 (180deg=-1.69!) USER MOD Set 1.2: A 101 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 23 THR OG1 : rot -150:sc= -0.154 USER MOD Set 2.2: A 139 MET CE :methyl -152:sc= -1.49 (180deg=-3.25!) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= -0.195 USER MOD Single : A 24 CYS SG : rot 180:sc= -1.44! USER MOD Single : A 28 GLN : amide:sc= -1.4 K(o=-1.4,f=-0.32) USER MOD Single : A 35 GLN : amide:sc= -0.0222 X(o=-0.022,f=0) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 63 GLN : amide:sc= -0.118 K(o=-0.12,f=-1.3!) USER MOD Single : A 65 GLN : amide:sc= -2.22! C(o=-2.2!,f=-5.3!) USER MOD Single : A 67 LYS NZ :NH3+ 135:sc= -1.48 (180deg=-3.67!) USER MOD Single : A 71 GLN : amide:sc= -0.0615 K(o=-0.061,f=-5.1!) USER MOD Single : A 74 GLN : amide:sc= -0.79 K(o=-0.79,f=0) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 HIS : no HD1:sc= -3.92! K(o=-3.9!,f=-0.75) USER MOD Single : A 87 HIS : no HD1:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 93 HIS : no HD1:sc= -10.8! C(o=-11!,f=-7.5!) USER MOD Single : A 94 THR OG1 : rot 180:sc=-0.00626 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 97 HIS : no HD1:sc= -3.5 K(o=-3.5,f=-2.3) USER MOD Single : A 102 TYR OH : rot 180:sc= 0 USER MOD Single : A 103 GLN : amide:sc= -0.138 X(o=-0.14,f=0) USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD Single : A 116 THR OG1 : rot 34:sc= 0.848 USER MOD Single : A 117 THR OG1 : rot 180:sc= 0 USER MOD Single : A 126 THR OG1 : rot -150:sc= -1.17 USER MOD Single : A 127 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 131 HIS : no HD1:sc= -2.07 K(o=-2.1,f=-1.2) USER MOD Single : A 132 THR OG1 : rot -33:sc= 1.15 USER MOD Single : A 136 SER OG : rot 180:sc= 0 USER MOD Single : A 137 THR OG1 : rot 180:sc= 0 USER MOD Single : A 140 LYS NZ :NH3+ -148:sc= 0.00165 (180deg=0) USER MOD Single : A 141 LYS NZ :NH3+ -178:sc= -0.567 (180deg=-0.57) USER MOD Single : A 146 TYR OH : rot 179:sc= 0.305 USER MOD Single : A 147 GLN : amide:sc= -4.95! C(o=-4.9!,f=-6.2!) USER MOD ----------------------------------------------------------------- ATOM 207 N PRO A 16 2.675 -19.550 -1.580 1.00 0.00 N ATOM 208 CA PRO A 16 2.324 -18.343 -0.825 1.00 0.00 C ATOM 209 C PRO A 16 3.303 -18.067 0.311 1.00 0.00 C ATOM 210 O PRO A 16 3.464 -16.923 0.741 1.00 0.00 O ATOM 211 CB PRO A 16 0.935 -18.663 -0.269 1.00 0.00 C ATOM 212 CG PRO A 16 0.887 -20.151 -0.202 1.00 0.00 C ATOM 213 CD PRO A 16 1.714 -20.643 -1.357 1.00 0.00 C ATOM 0 HA PRO A 16 2.352 -17.449 -1.448 1.00 0.00 H new ATOM 0 HB2 PRO A 16 0.790 -18.218 0.715 1.00 0.00 H new ATOM 0 HB3 PRO A 16 0.150 -18.270 -0.915 1.00 0.00 H new ATOM 0 HG2 PRO A 16 1.286 -20.512 0.746 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -0.139 -20.512 -0.274 1.00 0.00 H new ATOM 0 HD2 PRO A 16 2.219 -21.579 -1.119 1.00 0.00 H new ATOM 0 HD3 PRO A 16 1.102 -20.826 -2.240 1.00 0.00 H new ATOM 221 N ARG A 17 3.953 -19.120 0.796 1.00 0.00 N ATOM 222 CA ARG A 17 4.915 -18.990 1.883 1.00 0.00 C ATOM 223 C ARG A 17 5.731 -17.708 1.738 1.00 0.00 C ATOM 224 O ARG A 17 5.722 -16.852 2.622 1.00 0.00 O ATOM 225 CB ARG A 17 5.850 -20.201 1.913 1.00 0.00 C ATOM 226 CG ARG A 17 5.120 -21.534 1.906 1.00 0.00 C ATOM 227 CD ARG A 17 6.065 -22.688 2.195 1.00 0.00 C ATOM 228 NE ARG A 17 5.384 -23.805 2.845 1.00 0.00 N ATOM 229 CZ ARG A 17 6.019 -24.822 3.415 1.00 0.00 C ATOM 230 NH1 ARG A 17 7.345 -24.864 3.415 1.00 0.00 N ATOM 231 NH2 ARG A 17 5.330 -25.801 3.987 1.00 0.00 N ATOM 0 H ARG A 17 3.831 -20.073 0.453 1.00 0.00 H new ATOM 0 HA ARG A 17 4.361 -18.943 2.820 1.00 0.00 H new ATOM 0 HB2 ARG A 17 6.516 -20.157 1.051 1.00 0.00 H new ATOM 0 HB3 ARG A 17 6.476 -20.144 2.803 1.00 0.00 H new ATOM 0 HG2 ARG A 17 4.325 -21.518 2.651 1.00 0.00 H new ATOM 0 HG3 ARG A 17 4.645 -21.685 0.936 1.00 0.00 H new ATOM 0 HD2 ARG A 17 6.514 -23.031 1.263 1.00 0.00 H new ATOM 0 HD3 ARG A 17 6.878 -22.340 2.832 1.00 0.00 H new ATOM 0 HE ARG A 17 4.364 -23.803 2.862 1.00 0.00 H new ATOM 0 HH11 ARG A 17 7.879 -24.114 2.976 1.00 0.00 H new ATOM 0 HH12 ARG A 17 7.830 -25.647 3.854 1.00 0.00 H new ATOM 0 HH21 ARG A 17 4.310 -25.773 3.989 1.00 0.00 H new ATOM 0 HH22 ARG A 17 5.820 -26.581 4.424 1.00 0.00 H new ATOM 245 N GLU A 18 6.435 -17.584 0.617 1.00 0.00 N ATOM 246 CA GLU A 18 7.257 -16.408 0.357 1.00 0.00 C ATOM 247 C GLU A 18 6.508 -15.404 -0.516 1.00 0.00 C ATOM 248 O GLU A 18 6.436 -15.561 -1.734 1.00 0.00 O ATOM 249 CB GLU A 18 8.567 -16.814 -0.320 1.00 0.00 C ATOM 250 CG GLU A 18 9.598 -17.382 0.640 1.00 0.00 C ATOM 251 CD GLU A 18 10.983 -17.462 0.028 1.00 0.00 C ATOM 252 OE1 GLU A 18 11.258 -18.450 -0.686 1.00 0.00 O ATOM 253 OE2 GLU A 18 11.791 -16.540 0.264 1.00 0.00 O ATOM 0 H GLU A 18 6.452 -18.283 -0.125 1.00 0.00 H new ATOM 0 HA GLU A 18 7.483 -15.935 1.312 1.00 0.00 H new ATOM 0 HB2 GLU A 18 8.353 -17.555 -1.090 1.00 0.00 H new ATOM 0 HB3 GLU A 18 8.991 -15.945 -0.823 1.00 0.00 H new ATOM 0 HG2 GLU A 18 9.636 -16.762 1.535 1.00 0.00 H new ATOM 0 HG3 GLU A 18 9.286 -18.378 0.955 1.00 0.00 H new ATOM 260 N GLU A 19 5.956 -14.375 0.117 1.00 0.00 N ATOM 261 CA GLU A 19 5.213 -13.346 -0.602 1.00 0.00 C ATOM 262 C GLU A 19 5.529 -11.959 -0.050 1.00 0.00 C ATOM 263 O GLU A 19 5.195 -11.643 1.093 1.00 0.00 O ATOM 264 CB GLU A 19 3.709 -13.613 -0.509 1.00 0.00 C ATOM 265 CG GLU A 19 3.214 -14.656 -1.496 1.00 0.00 C ATOM 266 CD GLU A 19 2.906 -14.070 -2.859 1.00 0.00 C ATOM 267 OE1 GLU A 19 3.624 -13.139 -3.280 1.00 0.00 O ATOM 268 OE2 GLU A 19 1.945 -14.540 -3.504 1.00 0.00 O ATOM 0 H GLU A 19 6.009 -14.231 1.125 1.00 0.00 H new ATOM 0 HA GLU A 19 5.517 -13.379 -1.648 1.00 0.00 H new ATOM 0 HB2 GLU A 19 3.468 -13.939 0.503 1.00 0.00 H new ATOM 0 HB3 GLU A 19 3.172 -12.680 -0.679 1.00 0.00 H new ATOM 0 HG2 GLU A 19 3.967 -15.436 -1.602 1.00 0.00 H new ATOM 0 HG3 GLU A 19 2.317 -15.131 -1.098 1.00 0.00 H new ATOM 275 N SER A 20 6.177 -11.137 -0.868 1.00 0.00 N ATOM 276 CA SER A 20 6.545 -9.785 -0.461 1.00 0.00 C ATOM 277 C SER A 20 5.803 -8.747 -1.296 1.00 0.00 C ATOM 278 O SER A 20 5.518 -8.969 -2.473 1.00 0.00 O ATOM 279 CB SER A 20 8.054 -9.582 -0.595 1.00 0.00 C ATOM 280 OG SER A 20 8.761 -10.365 0.351 1.00 0.00 O ATOM 0 H SER A 20 6.459 -11.383 -1.817 1.00 0.00 H new ATOM 0 HA SER A 20 6.261 -9.656 0.583 1.00 0.00 H new ATOM 0 HB2 SER A 20 8.372 -9.849 -1.603 1.00 0.00 H new ATOM 0 HB3 SER A 20 8.296 -8.529 -0.453 1.00 0.00 H new ATOM 0 HG SER A 20 9.724 -10.218 0.243 1.00 0.00 H new ATOM 286 N SER A 21 5.494 -7.611 -0.678 1.00 0.00 N ATOM 287 CA SER A 21 4.782 -6.537 -1.363 1.00 0.00 C ATOM 288 C SER A 21 5.073 -5.190 -0.710 1.00 0.00 C ATOM 289 O SER A 21 5.381 -5.118 0.479 1.00 0.00 O ATOM 290 CB SER A 21 3.276 -6.808 -1.352 1.00 0.00 C ATOM 291 OG SER A 21 2.982 -8.077 -1.908 1.00 0.00 O ATOM 0 H SER A 21 5.725 -7.410 0.295 1.00 0.00 H new ATOM 0 HA SER A 21 5.130 -6.503 -2.395 1.00 0.00 H new ATOM 0 HB2 SER A 21 2.902 -6.760 -0.329 1.00 0.00 H new ATOM 0 HB3 SER A 21 2.760 -6.032 -1.917 1.00 0.00 H new ATOM 0 HG SER A 21 2.014 -8.227 -1.888 1.00 0.00 H new ATOM 297 N ALA A 22 4.973 -4.123 -1.498 1.00 0.00 N ATOM 298 CA ALA A 22 5.224 -2.778 -0.998 1.00 0.00 C ATOM 299 C ALA A 22 3.973 -1.912 -1.101 1.00 0.00 C ATOM 300 O ALA A 22 3.554 -1.536 -2.197 1.00 0.00 O ATOM 301 CB ALA A 22 6.375 -2.138 -1.758 1.00 0.00 C ATOM 0 H ALA A 22 4.720 -4.165 -2.485 1.00 0.00 H new ATOM 0 HA ALA A 22 5.496 -2.854 0.055 1.00 0.00 H new ATOM 0 HB1 ALA A 22 6.551 -1.133 -1.373 1.00 0.00 H new ATOM 0 HB2 ALA A 22 7.275 -2.739 -1.629 1.00 0.00 H new ATOM 0 HB3 ALA A 22 6.125 -2.082 -2.818 1.00 0.00 H new ATOM 307 N THR A 23 3.378 -1.598 0.045 1.00 0.00 N ATOM 308 CA THR A 23 2.175 -0.778 0.083 1.00 0.00 C ATOM 309 C THR A 23 2.496 0.651 0.507 1.00 0.00 C ATOM 310 O THR A 23 3.310 0.874 1.403 1.00 0.00 O ATOM 311 CB THR A 23 1.126 -1.364 1.047 1.00 0.00 C ATOM 312 OG1 THR A 23 0.023 -0.459 1.181 1.00 0.00 O ATOM 313 CG2 THR A 23 1.737 -1.631 2.414 1.00 0.00 C ATOM 0 H THR A 23 3.711 -1.900 0.961 1.00 0.00 H new ATOM 0 HA THR A 23 1.766 -0.771 -0.927 1.00 0.00 H new ATOM 0 HB THR A 23 0.773 -2.308 0.633 1.00 0.00 H new ATOM 0 HG1 THR A 23 -0.374 -0.556 2.072 1.00 0.00 H new ATOM 0 HG21 THR A 23 0.977 -2.044 3.078 1.00 0.00 H new ATOM 0 HG22 THR A 23 2.557 -2.342 2.313 1.00 0.00 H new ATOM 0 HG23 THR A 23 2.115 -0.698 2.832 1.00 0.00 H new ATOM 321 N CYS A 24 1.850 1.614 -0.142 1.00 0.00 N ATOM 322 CA CYS A 24 2.067 3.023 0.168 1.00 0.00 C ATOM 323 C CYS A 24 0.779 3.678 0.655 1.00 0.00 C ATOM 324 O CYS A 24 -0.318 3.179 0.402 1.00 0.00 O ATOM 325 CB CYS A 24 2.596 3.762 -1.062 1.00 0.00 C ATOM 326 SG CYS A 24 2.340 5.551 -1.016 1.00 0.00 S ATOM 0 H CYS A 24 1.172 1.445 -0.885 1.00 0.00 H new ATOM 0 HA CYS A 24 2.808 3.084 0.966 1.00 0.00 H new ATOM 0 HB2 CYS A 24 3.663 3.561 -1.162 1.00 0.00 H new ATOM 0 HB3 CYS A 24 2.111 3.359 -1.951 1.00 0.00 H new ATOM 0 HG CYS A 24 2.823 6.086 -2.098 1.00 0.00 H new ATOM 332 N VAL A 25 0.919 4.798 1.356 1.00 0.00 N ATOM 333 CA VAL A 25 -0.234 5.521 1.880 1.00 0.00 C ATOM 334 C VAL A 25 -0.384 6.879 1.203 1.00 0.00 C ATOM 335 O VAL A 25 0.130 7.887 1.688 1.00 0.00 O ATOM 336 CB VAL A 25 -0.123 5.729 3.403 1.00 0.00 C ATOM 337 CG1 VAL A 25 -1.248 6.620 3.903 1.00 0.00 C ATOM 338 CG2 VAL A 25 -0.131 4.390 4.124 1.00 0.00 C ATOM 0 H VAL A 25 1.819 5.225 1.574 1.00 0.00 H new ATOM 0 HA VAL A 25 -1.113 4.912 1.667 1.00 0.00 H new ATOM 0 HB VAL A 25 0.823 6.226 3.617 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -1.153 6.756 4.980 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -1.191 7.590 3.409 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -2.208 6.154 3.679 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -0.052 4.555 5.199 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -1.060 3.864 3.905 1.00 0.00 H new ATOM 0 HG23 VAL A 25 0.714 3.790 3.786 1.00 0.00 H new ATOM 348 N LEU A 26 -1.094 6.898 0.079 1.00 0.00 N ATOM 349 CA LEU A 26 -1.314 8.133 -0.666 1.00 0.00 C ATOM 350 C LEU A 26 -2.308 9.034 0.056 1.00 0.00 C ATOM 351 O LEU A 26 -3.442 8.635 0.325 1.00 0.00 O ATOM 352 CB LEU A 26 -1.821 7.817 -2.074 1.00 0.00 C ATOM 353 CG LEU A 26 -2.395 8.997 -2.860 1.00 0.00 C ATOM 354 CD1 LEU A 26 -1.320 10.044 -3.112 1.00 0.00 C ATOM 355 CD2 LEU A 26 -2.996 8.521 -4.174 1.00 0.00 C ATOM 0 H LEU A 26 -1.527 6.073 -0.336 1.00 0.00 H new ATOM 0 HA LEU A 26 -0.363 8.660 -0.739 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -0.999 7.390 -2.648 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -2.590 7.048 -1.998 1.00 0.00 H new ATOM 0 HG LEU A 26 -3.186 9.454 -2.266 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -1.747 10.876 -3.672 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -0.936 10.408 -2.159 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -0.507 9.600 -3.685 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -3.399 9.374 -4.720 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -2.224 8.039 -4.774 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -3.796 7.809 -3.971 1.00 0.00 H new ATOM 367 N GLU A 27 -1.879 10.253 0.366 1.00 0.00 N ATOM 368 CA GLU A 27 -2.733 11.212 1.056 1.00 0.00 C ATOM 369 C GLU A 27 -2.807 12.528 0.287 1.00 0.00 C ATOM 370 O GLU A 27 -1.892 12.872 -0.460 1.00 0.00 O ATOM 371 CB GLU A 27 -2.214 11.465 2.473 1.00 0.00 C ATOM 372 CG GLU A 27 -3.003 12.518 3.233 1.00 0.00 C ATOM 373 CD GLU A 27 -2.376 12.867 4.568 1.00 0.00 C ATOM 374 OE1 GLU A 27 -1.862 11.950 5.240 1.00 0.00 O ATOM 375 OE2 GLU A 27 -2.401 14.059 4.941 1.00 0.00 O ATOM 0 H GLU A 27 -0.944 10.600 0.150 1.00 0.00 H new ATOM 0 HA GLU A 27 -3.736 10.789 1.115 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -2.240 10.530 3.032 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -1.170 11.775 2.418 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -3.078 13.419 2.625 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -4.019 12.158 3.396 1.00 0.00 H new ATOM 382 N GLN A 28 -3.901 13.258 0.477 1.00 0.00 N ATOM 383 CA GLN A 28 -4.094 14.534 -0.200 1.00 0.00 C ATOM 384 C GLN A 28 -4.692 15.568 0.749 1.00 0.00 C ATOM 385 O GLN A 28 -5.424 15.240 1.683 1.00 0.00 O ATOM 386 CB GLN A 28 -5.001 14.357 -1.418 1.00 0.00 C ATOM 387 CG GLN A 28 -6.434 13.994 -1.063 1.00 0.00 C ATOM 388 CD GLN A 28 -7.418 14.364 -2.155 1.00 0.00 C ATOM 389 OE1 GLN A 28 -8.075 15.403 -2.089 1.00 0.00 O ATOM 390 NE2 GLN A 28 -7.525 13.513 -3.168 1.00 0.00 N ATOM 0 H GLN A 28 -4.667 12.988 1.094 1.00 0.00 H new ATOM 0 HA GLN A 28 -3.119 14.892 -0.531 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -5.002 15.281 -1.997 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -4.586 13.579 -2.059 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -6.496 12.923 -0.871 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -6.715 14.500 -0.140 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -6.961 12.663 -3.182 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -8.171 13.709 -3.932 1.00 0.00 H new ATOM 399 N PRO A 29 -4.374 16.848 0.506 1.00 0.00 N ATOM 400 CA PRO A 29 -4.870 17.957 1.328 1.00 0.00 C ATOM 401 C PRO A 29 -6.365 18.191 1.143 1.00 0.00 C ATOM 402 O PRO A 29 -6.832 18.450 0.035 1.00 0.00 O ATOM 403 CB PRO A 29 -4.073 19.160 0.817 1.00 0.00 C ATOM 404 CG PRO A 29 -3.702 18.804 -0.580 1.00 0.00 C ATOM 405 CD PRO A 29 -3.507 17.313 -0.590 1.00 0.00 C ATOM 0 HA PRO A 29 -4.742 17.765 2.393 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -4.670 20.072 0.848 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -3.188 19.337 1.428 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -4.484 19.100 -1.279 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -2.791 19.319 -0.885 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -3.798 16.876 -1.545 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -2.465 17.043 -0.420 1.00 0.00 H new ATOM 413 N GLY A 30 -7.113 18.098 2.239 1.00 0.00 N ATOM 414 CA GLY A 30 -8.548 18.303 2.177 1.00 0.00 C ATOM 415 C GLY A 30 -8.994 19.528 2.951 1.00 0.00 C ATOM 416 O GLY A 30 -8.397 19.878 3.968 1.00 0.00 O ATOM 0 H GLY A 30 -6.750 17.884 3.168 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -8.852 18.405 1.135 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -9.055 17.423 2.573 1.00 0.00 H new ATOM 420 N ALA A 31 -10.045 20.182 2.467 1.00 0.00 N ATOM 421 CA ALA A 31 -10.569 21.375 3.120 1.00 0.00 C ATOM 422 C ALA A 31 -10.687 21.168 4.626 1.00 0.00 C ATOM 423 O ALA A 31 -9.980 21.806 5.408 1.00 0.00 O ATOM 424 CB ALA A 31 -11.921 21.749 2.529 1.00 0.00 C ATOM 0 H ALA A 31 -10.550 19.906 1.625 1.00 0.00 H new ATOM 0 HA ALA A 31 -9.870 22.193 2.945 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -12.301 22.642 3.026 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -11.810 21.947 1.463 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -12.622 20.927 2.675 1.00 0.00 H new ATOM 430 N LEU A 32 -11.586 20.277 5.029 1.00 0.00 N ATOM 431 CA LEU A 32 -11.797 19.987 6.442 1.00 0.00 C ATOM 432 C LEU A 32 -10.521 19.453 7.086 1.00 0.00 C ATOM 433 O LEU A 32 -10.192 19.803 8.218 1.00 0.00 O ATOM 434 CB LEU A 32 -12.930 18.973 6.612 1.00 0.00 C ATOM 435 CG LEU A 32 -14.245 19.311 5.909 1.00 0.00 C ATOM 436 CD1 LEU A 32 -15.033 18.045 5.612 1.00 0.00 C ATOM 437 CD2 LEU A 32 -15.070 20.269 6.755 1.00 0.00 C ATOM 0 H LEU A 32 -12.181 19.742 4.396 1.00 0.00 H new ATOM 0 HA LEU A 32 -12.072 20.917 6.940 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -12.584 18.007 6.246 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -13.130 18.857 7.677 1.00 0.00 H new ATOM 0 HG LEU A 32 -14.014 19.800 4.963 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -15.966 18.306 5.112 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -14.445 17.393 4.966 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -15.254 17.527 6.545 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -16.002 20.499 6.240 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -15.292 19.807 7.717 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -14.508 21.189 6.916 1.00 0.00 H new ATOM 449 N GLY A 33 -9.805 18.606 6.353 1.00 0.00 N ATOM 450 CA GLY A 33 -8.572 18.040 6.868 1.00 0.00 C ATOM 451 C GLY A 33 -7.761 17.344 5.793 1.00 0.00 C ATOM 452 O GLY A 33 -7.122 17.994 4.968 1.00 0.00 O ATOM 0 H GLY A 33 -10.057 18.302 5.412 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -7.972 18.832 7.316 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -8.805 17.329 7.661 1.00 0.00 H new ATOM 456 N ALA A 34 -7.784 16.014 5.804 1.00 0.00 N ATOM 457 CA ALA A 34 -7.047 15.229 4.823 1.00 0.00 C ATOM 458 C ALA A 34 -7.593 13.808 4.732 1.00 0.00 C ATOM 459 O ALA A 34 -8.064 13.251 5.724 1.00 0.00 O ATOM 460 CB ALA A 34 -5.565 15.206 5.172 1.00 0.00 C ATOM 0 H ALA A 34 -8.306 15.459 6.482 1.00 0.00 H new ATOM 0 HA ALA A 34 -7.173 15.701 3.848 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -5.026 14.616 4.431 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -5.177 16.224 5.177 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -5.430 14.761 6.158 1.00 0.00 H new ATOM 466 N GLN A 35 -7.527 13.228 3.538 1.00 0.00 N ATOM 467 CA GLN A 35 -8.017 11.873 3.320 1.00 0.00 C ATOM 468 C GLN A 35 -6.999 11.044 2.546 1.00 0.00 C ATOM 469 O GLN A 35 -6.134 11.588 1.859 1.00 0.00 O ATOM 470 CB GLN A 35 -9.348 11.904 2.564 1.00 0.00 C ATOM 471 CG GLN A 35 -9.397 12.951 1.465 1.00 0.00 C ATOM 472 CD GLN A 35 -10.802 13.454 1.200 1.00 0.00 C ATOM 473 OE1 GLN A 35 -11.371 13.210 0.134 1.00 0.00 O ATOM 474 NE2 GLN A 35 -11.372 14.160 2.169 1.00 0.00 N ATOM 0 H GLN A 35 -7.139 13.675 2.707 1.00 0.00 H new ATOM 0 HA GLN A 35 -8.171 11.409 4.294 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -9.532 10.922 2.128 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -10.155 12.094 3.272 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -8.760 13.792 1.741 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -8.987 12.528 0.547 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -10.865 14.339 3.036 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -12.317 14.524 2.047 1.00 0.00 H new ATOM 483 N ILE A 36 -7.107 9.724 2.661 1.00 0.00 N ATOM 484 CA ILE A 36 -6.195 8.820 1.972 1.00 0.00 C ATOM 485 C ILE A 36 -6.928 8.002 0.913 1.00 0.00 C ATOM 486 O ILE A 36 -8.151 8.081 0.789 1.00 0.00 O ATOM 487 CB ILE A 36 -5.501 7.861 2.956 1.00 0.00 C ATOM 488 CG1 ILE A 36 -6.503 7.343 3.989 1.00 0.00 C ATOM 489 CG2 ILE A 36 -4.336 8.558 3.643 1.00 0.00 C ATOM 490 CD1 ILE A 36 -6.110 6.016 4.600 1.00 0.00 C ATOM 0 H ILE A 36 -7.817 9.257 3.225 1.00 0.00 H new ATOM 0 HA ILE A 36 -5.440 9.441 1.490 1.00 0.00 H new ATOM 0 HB ILE A 36 -5.111 7.010 2.397 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -6.609 8.082 4.783 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -7.480 7.241 3.516 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -3.856 7.867 4.336 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -3.613 8.882 2.894 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -4.703 9.425 4.192 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -6.866 5.710 5.323 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -6.032 5.263 3.816 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -5.148 6.117 5.102 1.00 0.00 H new ATOM 502 N LEU A 37 -6.172 7.216 0.154 1.00 0.00 N ATOM 503 CA LEU A 37 -6.750 6.380 -0.893 1.00 0.00 C ATOM 504 C LEU A 37 -6.864 4.930 -0.433 1.00 0.00 C ATOM 505 O LEU A 37 -6.064 4.460 0.376 1.00 0.00 O ATOM 506 CB LEU A 37 -5.900 6.458 -2.162 1.00 0.00 C ATOM 507 CG LEU A 37 -6.263 5.475 -3.275 1.00 0.00 C ATOM 508 CD1 LEU A 37 -7.541 5.910 -3.977 1.00 0.00 C ATOM 509 CD2 LEU A 37 -5.120 5.353 -4.273 1.00 0.00 C ATOM 0 H LEU A 37 -5.159 7.140 0.244 1.00 0.00 H new ATOM 0 HA LEU A 37 -7.751 6.753 -1.109 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -5.971 7.470 -2.561 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -4.858 6.296 -1.887 1.00 0.00 H new ATOM 0 HG LEU A 37 -6.434 4.496 -2.827 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -7.783 5.198 -4.766 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -8.358 5.945 -3.256 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -7.398 6.899 -4.412 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -5.396 4.649 -5.058 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -4.917 6.329 -4.715 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -4.227 4.994 -3.761 1.00 0.00 H new ATOM 521 N LEU A 38 -7.863 4.227 -0.953 1.00 0.00 N ATOM 522 CA LEU A 38 -8.081 2.829 -0.597 1.00 0.00 C ATOM 523 C LEU A 38 -8.612 2.040 -1.790 1.00 0.00 C ATOM 524 O LEU A 38 -9.660 2.368 -2.348 1.00 0.00 O ATOM 525 CB LEU A 38 -9.061 2.726 0.573 1.00 0.00 C ATOM 526 CG LEU A 38 -8.882 1.521 1.495 1.00 0.00 C ATOM 527 CD1 LEU A 38 -7.499 1.532 2.127 1.00 0.00 C ATOM 528 CD2 LEU A 38 -9.961 1.504 2.567 1.00 0.00 C ATOM 0 H LEU A 38 -8.535 4.601 -1.623 1.00 0.00 H new ATOM 0 HA LEU A 38 -7.123 2.402 -0.299 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -8.976 3.632 1.172 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -10.074 2.703 0.171 1.00 0.00 H new ATOM 0 HG LEU A 38 -8.978 0.614 0.898 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -7.391 0.666 2.780 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -6.741 1.493 1.345 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -7.373 2.444 2.710 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -9.817 0.639 3.214 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -9.898 2.416 3.161 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -10.942 1.445 2.095 1.00 0.00 H new ATOM 540 N VAL A 39 -7.884 0.997 -2.175 1.00 0.00 N ATOM 541 CA VAL A 39 -8.283 0.158 -3.298 1.00 0.00 C ATOM 542 C VAL A 39 -8.804 -1.192 -2.819 1.00 0.00 C ATOM 543 O VAL A 39 -8.319 -1.739 -1.829 1.00 0.00 O ATOM 544 CB VAL A 39 -7.111 -0.073 -4.270 1.00 0.00 C ATOM 545 CG1 VAL A 39 -6.778 1.208 -5.020 1.00 0.00 C ATOM 546 CG2 VAL A 39 -5.893 -0.594 -3.522 1.00 0.00 C ATOM 0 H VAL A 39 -7.014 0.713 -1.725 1.00 0.00 H new ATOM 0 HA VAL A 39 -9.080 0.687 -3.820 1.00 0.00 H new ATOM 0 HB VAL A 39 -7.410 -0.825 -5.000 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -5.948 1.025 -5.702 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -7.649 1.534 -5.588 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -6.498 1.984 -4.308 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -5.075 -0.752 -4.224 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -5.590 0.133 -2.769 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -6.141 -1.538 -3.036 1.00 0.00 H new ATOM 556 N GLN A 40 -9.796 -1.723 -3.529 1.00 0.00 N ATOM 557 CA GLN A 40 -10.383 -3.009 -3.174 1.00 0.00 C ATOM 558 C GLN A 40 -9.830 -4.122 -4.058 1.00 0.00 C ATOM 559 O GLN A 40 -9.329 -3.867 -5.153 1.00 0.00 O ATOM 560 CB GLN A 40 -11.906 -2.950 -3.302 1.00 0.00 C ATOM 561 CG GLN A 40 -12.595 -4.270 -2.992 1.00 0.00 C ATOM 562 CD GLN A 40 -14.106 -4.173 -3.074 1.00 0.00 C ATOM 563 OE1 GLN A 40 -14.660 -3.789 -4.103 1.00 0.00 O ATOM 564 NE2 GLN A 40 -14.781 -4.524 -1.985 1.00 0.00 N ATOM 0 H GLN A 40 -10.208 -1.283 -4.351 1.00 0.00 H new ATOM 0 HA GLN A 40 -10.120 -3.227 -2.139 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -12.289 -2.183 -2.629 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -12.165 -2.644 -4.315 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -12.245 -5.031 -3.690 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -12.309 -4.599 -1.993 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -14.280 -4.837 -1.153 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -15.800 -4.481 -1.981 1.00 0.00 H new ATOM 573 N ARG A 41 -9.922 -5.357 -3.575 1.00 0.00 N ATOM 574 CA ARG A 41 -9.429 -6.509 -4.320 1.00 0.00 C ATOM 575 C ARG A 41 -10.586 -7.338 -4.868 1.00 0.00 C ATOM 576 O ARG A 41 -11.717 -7.266 -4.386 1.00 0.00 O ATOM 577 CB ARG A 41 -8.542 -7.379 -3.427 1.00 0.00 C ATOM 578 CG ARG A 41 -7.089 -6.934 -3.393 1.00 0.00 C ATOM 579 CD ARG A 41 -6.368 -7.480 -2.171 1.00 0.00 C ATOM 580 NE ARG A 41 -4.963 -7.082 -2.141 1.00 0.00 N ATOM 581 CZ ARG A 41 -4.009 -7.698 -2.830 1.00 0.00 C ATOM 582 NH1 ARG A 41 -4.307 -8.736 -3.599 1.00 0.00 N ATOM 583 NH2 ARG A 41 -2.753 -7.276 -2.751 1.00 0.00 N ATOM 0 H ARG A 41 -10.334 -5.585 -2.670 1.00 0.00 H new ATOM 0 HA ARG A 41 -8.839 -6.142 -5.159 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -8.940 -7.368 -2.412 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -8.589 -8.410 -3.777 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -6.582 -7.272 -4.297 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -7.041 -5.845 -3.389 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -6.865 -7.125 -1.268 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -6.437 -8.568 -2.165 1.00 0.00 H new ATOM 0 HE ARG A 41 -4.700 -6.287 -1.559 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -5.271 -9.063 -3.663 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -3.572 -9.207 -4.127 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -2.519 -6.478 -2.161 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -2.021 -7.750 -3.281 1.00 0.00 H new ATOM 698 N LEU A 50 -11.754 -7.222 0.527 1.00 0.00 N ATOM 699 CA LEU A 50 -11.470 -6.257 1.585 1.00 0.00 C ATOM 700 C LEU A 50 -10.822 -5.000 1.016 1.00 0.00 C ATOM 701 O LEU A 50 -10.285 -5.013 -0.092 1.00 0.00 O ATOM 702 CB LEU A 50 -10.557 -6.883 2.641 1.00 0.00 C ATOM 703 CG LEU A 50 -11.242 -7.772 3.679 1.00 0.00 C ATOM 704 CD1 LEU A 50 -12.427 -7.050 4.302 1.00 0.00 C ATOM 705 CD2 LEU A 50 -11.686 -9.084 3.048 1.00 0.00 C ATOM 0 HA LEU A 50 -12.415 -5.977 2.051 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -9.797 -7.474 2.131 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -10.038 -6.081 3.165 1.00 0.00 H new ATOM 0 HG LEU A 50 -10.524 -7.996 4.468 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -12.902 -7.698 5.038 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -12.082 -6.138 4.790 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -13.147 -6.795 3.525 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -12.172 -9.704 3.801 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -12.388 -8.880 2.239 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -10.817 -9.609 2.651 1.00 0.00 H new ATOM 717 N TRP A 51 -10.873 -3.915 1.781 1.00 0.00 N ATOM 718 CA TRP A 51 -10.289 -2.650 1.353 1.00 0.00 C ATOM 719 C TRP A 51 -8.906 -2.454 1.964 1.00 0.00 C ATOM 720 O TRP A 51 -8.722 -2.624 3.169 1.00 0.00 O ATOM 721 CB TRP A 51 -11.201 -1.486 1.743 1.00 0.00 C ATOM 722 CG TRP A 51 -12.500 -1.473 0.996 1.00 0.00 C ATOM 723 CD1 TRP A 51 -13.687 -2.013 1.406 1.00 0.00 C ATOM 724 CD2 TRP A 51 -12.744 -0.894 -0.291 1.00 0.00 C ATOM 725 NE1 TRP A 51 -14.653 -1.804 0.451 1.00 0.00 N ATOM 726 CE2 TRP A 51 -14.100 -1.120 -0.599 1.00 0.00 C ATOM 727 CE3 TRP A 51 -11.950 -0.206 -1.211 1.00 0.00 C ATOM 728 CZ2 TRP A 51 -14.676 -0.681 -1.789 1.00 0.00 C ATOM 729 CZ3 TRP A 51 -12.522 0.228 -2.392 1.00 0.00 C ATOM 730 CH2 TRP A 51 -13.874 -0.010 -2.672 1.00 0.00 C ATOM 0 H TRP A 51 -11.313 -3.887 2.701 1.00 0.00 H new ATOM 0 HA TRP A 51 -10.186 -2.675 0.268 1.00 0.00 H new ATOM 0 HB2 TRP A 51 -11.406 -1.537 2.812 1.00 0.00 H new ATOM 0 HB3 TRP A 51 -10.677 -0.547 1.563 1.00 0.00 H new ATOM 0 HD1 TRP A 51 -13.843 -2.528 2.342 1.00 0.00 H new ATOM 0 HE1 TRP A 51 -15.624 -2.109 0.514 1.00 0.00 H new ATOM 0 HE3 TRP A 51 -10.907 -0.016 -1.003 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 -15.718 -0.864 -2.007 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 -11.917 0.760 -3.111 1.00 0.00 H new ATOM 0 HH2 TRP A 51 -14.292 0.343 -3.603 1.00 0.00 H new ATOM 741 N GLU A 52 -7.938 -2.097 1.126 1.00 0.00 N ATOM 742 CA GLU A 52 -6.572 -1.880 1.586 1.00 0.00 C ATOM 743 C GLU A 52 -5.801 -1.002 0.605 1.00 0.00 C ATOM 744 O GLU A 52 -6.044 -1.037 -0.602 1.00 0.00 O ATOM 745 CB GLU A 52 -5.851 -3.219 1.764 1.00 0.00 C ATOM 746 CG GLU A 52 -5.947 -4.127 0.550 1.00 0.00 C ATOM 747 CD GLU A 52 -7.198 -4.984 0.561 1.00 0.00 C ATOM 748 OE1 GLU A 52 -7.595 -5.441 1.654 1.00 0.00 O ATOM 749 OE2 GLU A 52 -7.780 -5.200 -0.523 1.00 0.00 O ATOM 0 H GLU A 52 -8.075 -1.952 0.126 1.00 0.00 H new ATOM 0 HA GLU A 52 -6.617 -1.369 2.548 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -4.800 -3.030 1.984 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -6.269 -3.736 2.628 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -5.935 -3.520 -0.355 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -5.069 -4.772 0.513 1.00 0.00 H new ATOM 756 N PHE A 53 -4.870 -0.214 1.132 1.00 0.00 N ATOM 757 CA PHE A 53 -4.063 0.676 0.304 1.00 0.00 C ATOM 758 C PHE A 53 -3.442 -0.084 -0.864 1.00 0.00 C ATOM 759 O PHE A 53 -3.174 -1.282 -0.786 1.00 0.00 O ATOM 760 CB PHE A 53 -2.964 1.332 1.143 1.00 0.00 C ATOM 761 CG PHE A 53 -3.444 1.824 2.478 1.00 0.00 C ATOM 762 CD1 PHE A 53 -4.647 2.502 2.591 1.00 0.00 C ATOM 763 CD2 PHE A 53 -2.690 1.610 3.621 1.00 0.00 C ATOM 764 CE1 PHE A 53 -5.091 2.957 3.819 1.00 0.00 C ATOM 765 CE2 PHE A 53 -3.130 2.062 4.852 1.00 0.00 C ATOM 766 CZ PHE A 53 -4.331 2.737 4.950 1.00 0.00 C ATOM 0 H PHE A 53 -4.655 -0.173 2.128 1.00 0.00 H new ATOM 0 HA PHE A 53 -4.716 1.452 -0.096 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -2.158 0.614 1.297 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -2.543 2.169 0.586 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -5.245 2.677 1.709 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -1.749 1.085 3.550 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -6.031 3.484 3.893 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -2.535 1.887 5.736 1.00 0.00 H new ATOM 0 HZ PHE A 53 -4.675 3.092 5.910 1.00 0.00 H new ATOM 776 N PRO A 54 -3.205 0.630 -1.975 1.00 0.00 N ATOM 777 CA PRO A 54 -2.613 0.046 -3.182 1.00 0.00 C ATOM 778 C PRO A 54 -1.146 -0.320 -2.988 1.00 0.00 C ATOM 779 O PRO A 54 -0.407 0.381 -2.295 1.00 0.00 O ATOM 780 CB PRO A 54 -2.754 1.160 -4.222 1.00 0.00 C ATOM 781 CG PRO A 54 -2.806 2.417 -3.425 1.00 0.00 C ATOM 782 CD PRO A 54 -3.500 2.064 -2.139 1.00 0.00 C ATOM 0 HA PRO A 54 -3.103 -0.885 -3.467 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -1.912 1.165 -4.914 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -3.657 1.032 -4.819 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -1.803 2.800 -3.235 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -3.349 3.196 -3.960 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -3.120 2.651 -1.303 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -4.573 2.250 -2.197 1.00 0.00 H new ATOM 790 N SER A 55 -0.728 -1.421 -3.604 1.00 0.00 N ATOM 791 CA SER A 55 0.652 -1.881 -3.497 1.00 0.00 C ATOM 792 C SER A 55 1.103 -2.552 -4.791 1.00 0.00 C ATOM 793 O SER A 55 0.291 -2.839 -5.671 1.00 0.00 O ATOM 794 CB SER A 55 0.796 -2.856 -2.327 1.00 0.00 C ATOM 795 OG SER A 55 -0.065 -3.971 -2.482 1.00 0.00 O ATOM 0 H SER A 55 -1.325 -2.011 -4.183 1.00 0.00 H new ATOM 0 HA SER A 55 1.286 -1.013 -3.318 1.00 0.00 H new ATOM 0 HB2 SER A 55 1.829 -3.197 -2.259 1.00 0.00 H new ATOM 0 HB3 SER A 55 0.568 -2.344 -1.393 1.00 0.00 H new ATOM 0 HG SER A 55 0.048 -4.579 -1.722 1.00 0.00 H new ATOM 801 N VAL A 56 2.405 -2.798 -4.899 1.00 0.00 N ATOM 802 CA VAL A 56 2.966 -3.435 -6.085 1.00 0.00 C ATOM 803 C VAL A 56 3.931 -4.552 -5.702 1.00 0.00 C ATOM 804 O VAL A 56 4.247 -4.741 -4.528 1.00 0.00 O ATOM 805 CB VAL A 56 3.702 -2.416 -6.974 1.00 0.00 C ATOM 806 CG1 VAL A 56 2.832 -1.193 -7.217 1.00 0.00 C ATOM 807 CG2 VAL A 56 5.029 -2.021 -6.344 1.00 0.00 C ATOM 0 H VAL A 56 3.091 -2.566 -4.180 1.00 0.00 H new ATOM 0 HA VAL A 56 2.131 -3.856 -6.645 1.00 0.00 H new ATOM 0 HB VAL A 56 3.908 -2.882 -7.938 1.00 0.00 H new ATOM 0 HG11 VAL A 56 3.369 -0.484 -7.847 1.00 0.00 H new ATOM 0 HG12 VAL A 56 1.910 -1.495 -7.714 1.00 0.00 H new ATOM 0 HG13 VAL A 56 2.592 -0.722 -6.264 1.00 0.00 H new ATOM 0 HG21 VAL A 56 5.536 -1.300 -6.985 1.00 0.00 H new ATOM 0 HG22 VAL A 56 4.849 -1.573 -5.367 1.00 0.00 H new ATOM 0 HG23 VAL A 56 5.654 -2.906 -6.228 1.00 0.00 H new ATOM 817 N THR A 57 4.399 -5.290 -6.704 1.00 0.00 N ATOM 818 CA THR A 57 5.329 -6.388 -6.474 1.00 0.00 C ATOM 819 C THR A 57 6.570 -5.912 -5.727 1.00 0.00 C ATOM 820 O THR A 57 7.051 -4.801 -5.950 1.00 0.00 O ATOM 821 CB THR A 57 5.762 -7.045 -7.799 1.00 0.00 C ATOM 822 OG1 THR A 57 6.117 -6.037 -8.752 1.00 0.00 O ATOM 823 CG2 THR A 57 4.648 -7.913 -8.362 1.00 0.00 C ATOM 0 H THR A 57 4.149 -5.147 -7.682 1.00 0.00 H new ATOM 0 HA THR A 57 4.803 -7.124 -5.866 1.00 0.00 H new ATOM 0 HB THR A 57 6.627 -7.677 -7.600 1.00 0.00 H new ATOM 0 HG1 THR A 57 6.393 -6.462 -9.591 1.00 0.00 H new ATOM 0 HG21 THR A 57 4.977 -8.366 -9.297 1.00 0.00 H new ATOM 0 HG22 THR A 57 4.401 -8.697 -7.646 1.00 0.00 H new ATOM 0 HG23 THR A 57 3.766 -7.299 -8.547 1.00 0.00 H new ATOM 831 N TRP A 58 7.083 -6.758 -4.842 1.00 0.00 N ATOM 832 CA TRP A 58 8.270 -6.422 -4.063 1.00 0.00 C ATOM 833 C TRP A 58 9.463 -6.162 -4.973 1.00 0.00 C ATOM 834 O TRP A 58 9.446 -6.521 -6.150 1.00 0.00 O ATOM 835 CB TRP A 58 8.597 -7.549 -3.082 1.00 0.00 C ATOM 836 CG TRP A 58 9.834 -7.295 -2.276 1.00 0.00 C ATOM 837 CD1 TRP A 58 9.948 -6.486 -1.181 1.00 0.00 C ATOM 838 CD2 TRP A 58 11.134 -7.852 -2.502 1.00 0.00 C ATOM 839 NE1 TRP A 58 11.240 -6.506 -0.715 1.00 0.00 N ATOM 840 CE2 TRP A 58 11.987 -7.338 -1.507 1.00 0.00 C ATOM 841 CE3 TRP A 58 11.659 -8.737 -3.448 1.00 0.00 C ATOM 842 CZ2 TRP A 58 13.335 -7.678 -1.432 1.00 0.00 C ATOM 843 CZ3 TRP A 58 12.996 -9.074 -3.374 1.00 0.00 C ATOM 844 CH2 TRP A 58 13.823 -8.546 -2.371 1.00 0.00 C ATOM 0 H TRP A 58 6.697 -7.681 -4.645 1.00 0.00 H new ATOM 0 HA TRP A 58 8.060 -5.511 -3.502 1.00 0.00 H new ATOM 0 HB2 TRP A 58 7.754 -7.688 -2.406 1.00 0.00 H new ATOM 0 HB3 TRP A 58 8.718 -8.480 -3.636 1.00 0.00 H new ATOM 0 HD1 TRP A 58 9.141 -5.915 -0.746 1.00 0.00 H new ATOM 0 HE1 TRP A 58 11.587 -5.986 0.091 1.00 0.00 H new ATOM 0 HE3 TRP A 58 11.030 -9.150 -4.223 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 13.973 -7.272 -0.661 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 13.412 -9.756 -4.101 1.00 0.00 H new ATOM 0 HH2 TRP A 58 14.865 -8.830 -2.339 1.00 0.00 H new ATOM 855 N GLU A 59 10.499 -5.537 -4.422 1.00 0.00 N ATOM 856 CA GLU A 59 11.701 -5.229 -5.187 1.00 0.00 C ATOM 857 C GLU A 59 12.950 -5.378 -4.322 1.00 0.00 C ATOM 858 O GLU A 59 13.002 -4.921 -3.180 1.00 0.00 O ATOM 859 CB GLU A 59 11.625 -3.809 -5.750 1.00 0.00 C ATOM 860 CG GLU A 59 10.664 -3.669 -6.920 1.00 0.00 C ATOM 861 CD GLU A 59 10.754 -4.830 -7.891 1.00 0.00 C ATOM 862 OE1 GLU A 59 11.887 -5.227 -8.237 1.00 0.00 O ATOM 863 OE2 GLU A 59 9.692 -5.342 -8.304 1.00 0.00 O ATOM 0 H GLU A 59 10.530 -5.234 -3.448 1.00 0.00 H new ATOM 0 HA GLU A 59 11.765 -5.937 -6.013 1.00 0.00 H new ATOM 0 HB2 GLU A 59 11.319 -3.128 -4.956 1.00 0.00 H new ATOM 0 HB3 GLU A 59 12.620 -3.500 -6.069 1.00 0.00 H new ATOM 0 HG2 GLU A 59 9.645 -3.595 -6.541 1.00 0.00 H new ATOM 0 HG3 GLU A 59 10.875 -2.740 -7.450 1.00 0.00 H new ATOM 870 N PRO A 60 13.979 -6.035 -4.878 1.00 0.00 N ATOM 871 CA PRO A 60 15.246 -6.259 -4.176 1.00 0.00 C ATOM 872 C PRO A 60 16.041 -4.972 -3.987 1.00 0.00 C ATOM 873 O PRO A 60 16.896 -4.882 -3.106 1.00 0.00 O ATOM 874 CB PRO A 60 15.998 -7.221 -5.100 1.00 0.00 C ATOM 875 CG PRO A 60 15.429 -6.968 -6.453 1.00 0.00 C ATOM 876 CD PRO A 60 13.986 -6.606 -6.235 1.00 0.00 C ATOM 0 HA PRO A 60 15.090 -6.646 -3.169 1.00 0.00 H new ATOM 0 HB2 PRO A 60 17.071 -7.032 -5.080 1.00 0.00 H new ATOM 0 HB3 PRO A 60 15.852 -8.258 -4.796 1.00 0.00 H new ATOM 0 HG2 PRO A 60 15.962 -6.161 -6.956 1.00 0.00 H new ATOM 0 HG3 PRO A 60 15.518 -7.851 -7.085 1.00 0.00 H new ATOM 0 HD2 PRO A 60 13.636 -5.887 -6.975 1.00 0.00 H new ATOM 0 HD3 PRO A 60 13.337 -7.479 -6.307 1.00 0.00 H new ATOM 884 N SER A 61 15.753 -3.976 -4.820 1.00 0.00 N ATOM 885 CA SER A 61 16.444 -2.695 -4.747 1.00 0.00 C ATOM 886 C SER A 61 15.536 -1.621 -4.154 1.00 0.00 C ATOM 887 O SER A 61 14.311 -1.734 -4.201 1.00 0.00 O ATOM 888 CB SER A 61 16.917 -2.265 -6.137 1.00 0.00 C ATOM 889 OG SER A 61 18.053 -1.422 -6.052 1.00 0.00 O ATOM 0 H SER A 61 15.046 -4.033 -5.553 1.00 0.00 H new ATOM 0 HA SER A 61 17.311 -2.816 -4.097 1.00 0.00 H new ATOM 0 HB2 SER A 61 17.158 -3.146 -6.731 1.00 0.00 H new ATOM 0 HB3 SER A 61 16.111 -1.743 -6.653 1.00 0.00 H new ATOM 0 HG SER A 61 18.336 -1.163 -6.954 1.00 0.00 H new ATOM 895 N GLU A 62 16.147 -0.581 -3.594 1.00 0.00 N ATOM 896 CA GLU A 62 15.394 0.512 -2.989 1.00 0.00 C ATOM 897 C GLU A 62 14.716 1.363 -4.060 1.00 0.00 C ATOM 898 O GLU A 62 13.601 1.845 -3.869 1.00 0.00 O ATOM 899 CB GLU A 62 16.316 1.385 -2.137 1.00 0.00 C ATOM 900 CG GLU A 62 15.585 2.476 -1.373 1.00 0.00 C ATOM 901 CD GLU A 62 16.530 3.481 -0.741 1.00 0.00 C ATOM 902 OE1 GLU A 62 17.328 3.077 0.132 1.00 0.00 O ATOM 903 OE2 GLU A 62 16.474 4.668 -1.122 1.00 0.00 O ATOM 0 H GLU A 62 17.160 -0.473 -3.547 1.00 0.00 H new ATOM 0 HA GLU A 62 14.623 0.079 -2.351 1.00 0.00 H new ATOM 0 HB2 GLU A 62 16.850 0.752 -1.428 1.00 0.00 H new ATOM 0 HB3 GLU A 62 17.066 1.844 -2.781 1.00 0.00 H new ATOM 0 HG2 GLU A 62 14.907 2.996 -2.050 1.00 0.00 H new ATOM 0 HG3 GLU A 62 14.972 2.021 -0.595 1.00 0.00 H new ATOM 910 N GLN A 63 15.400 1.540 -5.186 1.00 0.00 N ATOM 911 CA GLN A 63 14.865 2.334 -6.287 1.00 0.00 C ATOM 912 C GLN A 63 13.750 1.582 -7.007 1.00 0.00 C ATOM 913 O GLN A 63 12.656 2.114 -7.205 1.00 0.00 O ATOM 914 CB GLN A 63 15.977 2.690 -7.274 1.00 0.00 C ATOM 915 CG GLN A 63 15.475 3.375 -8.535 1.00 0.00 C ATOM 916 CD GLN A 63 16.496 4.323 -9.131 1.00 0.00 C ATOM 917 OE1 GLN A 63 17.270 4.953 -8.409 1.00 0.00 O ATOM 918 NE2 GLN A 63 16.505 4.430 -10.454 1.00 0.00 N ATOM 0 H GLN A 63 16.324 1.145 -5.360 1.00 0.00 H new ATOM 0 HA GLN A 63 14.450 3.253 -5.872 1.00 0.00 H new ATOM 0 HB2 GLN A 63 16.696 3.342 -6.778 1.00 0.00 H new ATOM 0 HB3 GLN A 63 16.510 1.781 -7.552 1.00 0.00 H new ATOM 0 HG2 GLN A 63 15.212 2.619 -9.275 1.00 0.00 H new ATOM 0 HG3 GLN A 63 14.563 3.927 -8.306 1.00 0.00 H new ATOM 0 HE21 GLN A 63 15.846 3.889 -11.014 1.00 0.00 H new ATOM 0 HE22 GLN A 63 17.171 5.053 -10.911 1.00 0.00 H new ATOM 927 N LEU A 64 14.034 0.345 -7.398 1.00 0.00 N ATOM 928 CA LEU A 64 13.055 -0.480 -8.098 1.00 0.00 C ATOM 929 C LEU A 64 11.730 -0.510 -7.343 1.00 0.00 C ATOM 930 O LEU A 64 10.660 -0.527 -7.951 1.00 0.00 O ATOM 931 CB LEU A 64 13.589 -1.904 -8.270 1.00 0.00 C ATOM 932 CG LEU A 64 14.493 -2.139 -9.481 1.00 0.00 C ATOM 933 CD1 LEU A 64 15.447 -0.969 -9.669 1.00 0.00 C ATOM 934 CD2 LEU A 64 15.266 -3.440 -9.323 1.00 0.00 C ATOM 0 H LEU A 64 14.934 -0.109 -7.242 1.00 0.00 H new ATOM 0 HA LEU A 64 12.883 -0.042 -9.081 1.00 0.00 H new ATOM 0 HB2 LEU A 64 14.142 -2.174 -7.371 1.00 0.00 H new ATOM 0 HB3 LEU A 64 12.740 -2.584 -8.338 1.00 0.00 H new ATOM 0 HG LEU A 64 13.867 -2.217 -10.370 1.00 0.00 H new ATOM 0 HD11 LEU A 64 16.083 -1.153 -10.535 1.00 0.00 H new ATOM 0 HD12 LEU A 64 14.875 -0.055 -9.827 1.00 0.00 H new ATOM 0 HD13 LEU A 64 16.068 -0.859 -8.780 1.00 0.00 H new ATOM 0 HD21 LEU A 64 15.904 -3.592 -10.193 1.00 0.00 H new ATOM 0 HD22 LEU A 64 15.882 -3.390 -8.425 1.00 0.00 H new ATOM 0 HD23 LEU A 64 14.566 -4.271 -9.237 1.00 0.00 H new ATOM 946 N GLN A 65 11.809 -0.512 -6.017 1.00 0.00 N ATOM 947 CA GLN A 65 10.615 -0.537 -5.180 1.00 0.00 C ATOM 948 C GLN A 65 9.762 0.706 -5.411 1.00 0.00 C ATOM 949 O GLN A 65 8.590 0.607 -5.774 1.00 0.00 O ATOM 950 CB GLN A 65 11.003 -0.636 -3.704 1.00 0.00 C ATOM 951 CG GLN A 65 9.883 -1.149 -2.813 1.00 0.00 C ATOM 952 CD GLN A 65 9.439 -2.552 -3.182 1.00 0.00 C ATOM 953 OE1 GLN A 65 9.852 -3.529 -2.559 1.00 0.00 O ATOM 954 NE2 GLN A 65 8.594 -2.657 -4.201 1.00 0.00 N ATOM 0 H GLN A 65 12.687 -0.497 -5.498 1.00 0.00 H new ATOM 0 HA GLN A 65 10.029 -1.414 -5.454 1.00 0.00 H new ATOM 0 HB2 GLN A 65 11.865 -1.297 -3.607 1.00 0.00 H new ATOM 0 HB3 GLN A 65 11.314 0.348 -3.352 1.00 0.00 H new ATOM 0 HG2 GLN A 65 10.216 -1.139 -1.775 1.00 0.00 H new ATOM 0 HG3 GLN A 65 9.031 -0.473 -2.881 1.00 0.00 H new ATOM 0 HE21 GLN A 65 8.277 -1.819 -4.689 1.00 0.00 H new ATOM 0 HE22 GLN A 65 8.262 -3.575 -4.495 1.00 0.00 H new ATOM 963 N ARG A 66 10.358 1.874 -5.198 1.00 0.00 N ATOM 964 CA ARG A 66 9.652 3.137 -5.382 1.00 0.00 C ATOM 965 C ARG A 66 9.162 3.282 -6.820 1.00 0.00 C ATOM 966 O ARG A 66 7.999 3.602 -7.062 1.00 0.00 O ATOM 967 CB ARG A 66 10.562 4.312 -5.021 1.00 0.00 C ATOM 968 CG ARG A 66 11.177 4.201 -3.635 1.00 0.00 C ATOM 969 CD ARG A 66 11.964 5.453 -3.273 1.00 0.00 C ATOM 970 NE ARG A 66 12.455 5.412 -1.899 1.00 0.00 N ATOM 971 CZ ARG A 66 13.356 6.260 -1.415 1.00 0.00 C ATOM 972 NH1 ARG A 66 13.862 7.209 -2.191 1.00 0.00 N ATOM 973 NH2 ARG A 66 13.753 6.160 -0.153 1.00 0.00 N ATOM 0 H ARG A 66 11.328 1.973 -4.898 1.00 0.00 H new ATOM 0 HA ARG A 66 8.786 3.140 -4.720 1.00 0.00 H new ATOM 0 HB2 ARG A 66 11.361 4.383 -5.759 1.00 0.00 H new ATOM 0 HB3 ARG A 66 9.989 5.237 -5.082 1.00 0.00 H new ATOM 0 HG2 ARG A 66 10.390 4.039 -2.898 1.00 0.00 H new ATOM 0 HG3 ARG A 66 11.834 3.332 -3.596 1.00 0.00 H new ATOM 0 HD2 ARG A 66 12.807 5.562 -3.956 1.00 0.00 H new ATOM 0 HD3 ARG A 66 11.331 6.330 -3.406 1.00 0.00 H new ATOM 0 HE ARG A 66 12.086 4.693 -1.276 1.00 0.00 H new ATOM 0 HH11 ARG A 66 13.560 7.289 -3.162 1.00 0.00 H new ATOM 0 HH12 ARG A 66 14.554 7.859 -1.817 1.00 0.00 H new ATOM 0 HH21 ARG A 66 13.366 5.431 0.447 1.00 0.00 H new ATOM 0 HH22 ARG A 66 14.445 6.812 0.217 1.00 0.00 H new ATOM 987 N LYS A 67 10.059 3.045 -7.771 1.00 0.00 N ATOM 988 CA LYS A 67 9.720 3.148 -9.185 1.00 0.00 C ATOM 989 C LYS A 67 8.361 2.517 -9.467 1.00 0.00 C ATOM 990 O LYS A 67 7.400 3.211 -9.800 1.00 0.00 O ATOM 991 CB LYS A 67 10.795 2.470 -10.040 1.00 0.00 C ATOM 992 CG LYS A 67 12.017 3.339 -10.281 1.00 0.00 C ATOM 993 CD LYS A 67 12.673 3.020 -11.614 1.00 0.00 C ATOM 994 CE LYS A 67 12.896 1.525 -11.781 1.00 0.00 C ATOM 995 NZ LYS A 67 11.698 0.845 -12.346 1.00 0.00 N ATOM 0 H LYS A 67 11.027 2.780 -7.588 1.00 0.00 H new ATOM 0 HA LYS A 67 9.671 4.206 -9.444 1.00 0.00 H new ATOM 0 HB2 LYS A 67 11.107 1.547 -9.552 1.00 0.00 H new ATOM 0 HB3 LYS A 67 10.362 2.192 -11.001 1.00 0.00 H new ATOM 0 HG2 LYS A 67 11.728 4.390 -10.259 1.00 0.00 H new ATOM 0 HG3 LYS A 67 12.736 3.189 -9.475 1.00 0.00 H new ATOM 0 HD2 LYS A 67 12.047 3.389 -12.426 1.00 0.00 H new ATOM 0 HD3 LYS A 67 13.627 3.542 -11.685 1.00 0.00 H new ATOM 0 HE2 LYS A 67 13.751 1.356 -12.435 1.00 0.00 H new ATOM 0 HE3 LYS A 67 13.142 1.084 -10.815 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 11.993 0.187 -13.095 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 11.211 0.317 -11.594 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 11.051 1.555 -12.745 1.00 0.00 H new ATOM 1009 N ALA A 68 8.286 1.197 -9.329 1.00 0.00 N ATOM 1010 CA ALA A 68 7.043 0.473 -9.565 1.00 0.00 C ATOM 1011 C ALA A 68 5.952 0.926 -8.600 1.00 0.00 C ATOM 1012 O ALA A 68 4.869 1.334 -9.018 1.00 0.00 O ATOM 1013 CB ALA A 68 7.272 -1.025 -9.439 1.00 0.00 C ATOM 0 H ALA A 68 9.072 0.607 -9.055 1.00 0.00 H new ATOM 0 HA ALA A 68 6.710 0.694 -10.579 1.00 0.00 H new ATOM 0 HB1 ALA A 68 6.335 -1.553 -9.618 1.00 0.00 H new ATOM 0 HB2 ALA A 68 8.013 -1.343 -10.172 1.00 0.00 H new ATOM 0 HB3 ALA A 68 7.632 -1.255 -8.436 1.00 0.00 H new ATOM 1019 N LEU A 69 6.246 0.851 -7.306 1.00 0.00 N ATOM 1020 CA LEU A 69 5.289 1.253 -6.280 1.00 0.00 C ATOM 1021 C LEU A 69 4.451 2.437 -6.751 1.00 0.00 C ATOM 1022 O LEU A 69 3.285 2.573 -6.379 1.00 0.00 O ATOM 1023 CB LEU A 69 6.021 1.613 -4.986 1.00 0.00 C ATOM 1024 CG LEU A 69 5.213 2.404 -3.956 1.00 0.00 C ATOM 1025 CD1 LEU A 69 4.057 1.570 -3.428 1.00 0.00 C ATOM 1026 CD2 LEU A 69 6.108 2.862 -2.814 1.00 0.00 C ATOM 0 H LEU A 69 7.138 0.516 -6.943 1.00 0.00 H new ATOM 0 HA LEU A 69 4.621 0.412 -6.091 1.00 0.00 H new ATOM 0 HB2 LEU A 69 6.365 0.691 -4.518 1.00 0.00 H new ATOM 0 HB3 LEU A 69 6.909 2.190 -5.243 1.00 0.00 H new ATOM 0 HG LEU A 69 4.802 3.287 -4.446 1.00 0.00 H new ATOM 0 HD11 LEU A 69 3.494 2.150 -2.697 1.00 0.00 H new ATOM 0 HD12 LEU A 69 3.401 1.293 -4.254 1.00 0.00 H new ATOM 0 HD13 LEU A 69 4.445 0.668 -2.955 1.00 0.00 H new ATOM 0 HD21 LEU A 69 5.516 3.423 -2.091 1.00 0.00 H new ATOM 0 HD22 LEU A 69 6.549 1.993 -2.326 1.00 0.00 H new ATOM 0 HD23 LEU A 69 6.901 3.499 -3.206 1.00 0.00 H new ATOM 1038 N LEU A 70 5.052 3.291 -7.571 1.00 0.00 N ATOM 1039 CA LEU A 70 4.362 4.465 -8.096 1.00 0.00 C ATOM 1040 C LEU A 70 3.670 4.143 -9.417 1.00 0.00 C ATOM 1041 O LEU A 70 2.527 4.541 -9.641 1.00 0.00 O ATOM 1042 CB LEU A 70 5.348 5.617 -8.290 1.00 0.00 C ATOM 1043 CG LEU A 70 5.942 6.214 -7.014 1.00 0.00 C ATOM 1044 CD1 LEU A 70 7.085 7.160 -7.350 1.00 0.00 C ATOM 1045 CD2 LEU A 70 4.869 6.937 -6.213 1.00 0.00 C ATOM 0 H LEU A 70 6.017 3.193 -7.888 1.00 0.00 H new ATOM 0 HA LEU A 70 3.603 4.764 -7.373 1.00 0.00 H new ATOM 0 HB2 LEU A 70 6.167 5.266 -8.918 1.00 0.00 H new ATOM 0 HB3 LEU A 70 4.843 6.412 -8.839 1.00 0.00 H new ATOM 0 HG LEU A 70 6.336 5.401 -6.405 1.00 0.00 H new ATOM 0 HD11 LEU A 70 7.496 7.576 -6.430 1.00 0.00 H new ATOM 0 HD12 LEU A 70 7.865 6.614 -7.881 1.00 0.00 H new ATOM 0 HD13 LEU A 70 6.715 7.969 -7.980 1.00 0.00 H new ATOM 0 HD21 LEU A 70 5.310 7.355 -5.308 1.00 0.00 H new ATOM 0 HD22 LEU A 70 4.445 7.741 -6.815 1.00 0.00 H new ATOM 0 HD23 LEU A 70 4.082 6.234 -5.941 1.00 0.00 H new ATOM 1057 N GLN A 71 4.369 3.420 -10.285 1.00 0.00 N ATOM 1058 CA GLN A 71 3.821 3.045 -11.583 1.00 0.00 C ATOM 1059 C GLN A 71 2.403 2.502 -11.439 1.00 0.00 C ATOM 1060 O GLN A 71 1.601 2.582 -12.367 1.00 0.00 O ATOM 1061 CB GLN A 71 4.714 2.001 -12.255 1.00 0.00 C ATOM 1062 CG GLN A 71 4.290 0.567 -11.977 1.00 0.00 C ATOM 1063 CD GLN A 71 5.104 -0.444 -12.757 1.00 0.00 C ATOM 1064 OE1 GLN A 71 6.017 -1.072 -12.219 1.00 0.00 O ATOM 1065 NE2 GLN A 71 4.780 -0.609 -14.034 1.00 0.00 N ATOM 0 H GLN A 71 5.316 3.082 -10.113 1.00 0.00 H new ATOM 0 HA GLN A 71 3.787 3.938 -12.206 1.00 0.00 H new ATOM 0 HB2 GLN A 71 4.709 2.170 -13.332 1.00 0.00 H new ATOM 0 HB3 GLN A 71 5.740 2.140 -11.915 1.00 0.00 H new ATOM 0 HG2 GLN A 71 4.390 0.363 -10.911 1.00 0.00 H new ATOM 0 HG3 GLN A 71 3.236 0.449 -12.227 1.00 0.00 H new ATOM 0 HE21 GLN A 71 4.017 -0.068 -14.440 1.00 0.00 H new ATOM 0 HE22 GLN A 71 5.295 -1.276 -14.609 1.00 0.00 H new ATOM 1074 N GLU A 72 2.103 1.949 -10.267 1.00 0.00 N ATOM 1075 CA GLU A 72 0.782 1.391 -10.003 1.00 0.00 C ATOM 1076 C GLU A 72 -0.137 2.440 -9.383 1.00 0.00 C ATOM 1077 O GLU A 72 -1.286 2.598 -9.797 1.00 0.00 O ATOM 1078 CB GLU A 72 0.892 0.180 -9.074 1.00 0.00 C ATOM 1079 CG GLU A 72 -0.437 -0.509 -8.812 1.00 0.00 C ATOM 1080 CD GLU A 72 -0.876 -1.389 -9.966 1.00 0.00 C ATOM 1081 OE1 GLU A 72 -0.486 -2.575 -9.988 1.00 0.00 O ATOM 1082 OE2 GLU A 72 -1.607 -0.892 -10.848 1.00 0.00 O ATOM 0 H GLU A 72 2.756 1.876 -9.487 1.00 0.00 H new ATOM 0 HA GLU A 72 0.353 1.073 -10.953 1.00 0.00 H new ATOM 0 HB2 GLU A 72 1.585 -0.540 -9.510 1.00 0.00 H new ATOM 0 HB3 GLU A 72 1.320 0.499 -8.124 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -0.356 -1.114 -7.909 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -1.202 0.245 -8.623 1.00 0.00 H new ATOM 1089 N LEU A 73 0.377 3.154 -8.387 1.00 0.00 N ATOM 1090 CA LEU A 73 -0.397 4.187 -7.708 1.00 0.00 C ATOM 1091 C LEU A 73 -1.031 5.142 -8.714 1.00 0.00 C ATOM 1092 O LEU A 73 -2.225 5.430 -8.641 1.00 0.00 O ATOM 1093 CB LEU A 73 0.496 4.967 -6.741 1.00 0.00 C ATOM 1094 CG LEU A 73 0.611 4.398 -5.326 1.00 0.00 C ATOM 1095 CD1 LEU A 73 1.807 5.000 -4.604 1.00 0.00 C ATOM 1096 CD2 LEU A 73 -0.669 4.652 -4.544 1.00 0.00 C ATOM 0 H LEU A 73 1.326 3.036 -8.032 1.00 0.00 H new ATOM 0 HA LEU A 73 -1.193 3.699 -7.146 1.00 0.00 H new ATOM 0 HB2 LEU A 73 1.496 5.026 -7.170 1.00 0.00 H new ATOM 0 HB3 LEU A 73 0.118 5.987 -6.671 1.00 0.00 H new ATOM 0 HG LEU A 73 0.761 3.321 -5.399 1.00 0.00 H new ATOM 0 HD11 LEU A 73 1.873 4.583 -3.599 1.00 0.00 H new ATOM 0 HD12 LEU A 73 2.719 4.767 -5.154 1.00 0.00 H new ATOM 0 HD13 LEU A 73 1.687 6.082 -4.541 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -0.569 4.240 -3.540 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -0.850 5.725 -4.480 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -1.506 4.173 -5.051 1.00 0.00 H new ATOM 1108 N GLN A 74 -0.224 5.625 -9.653 1.00 0.00 N ATOM 1109 CA GLN A 74 -0.709 6.545 -10.676 1.00 0.00 C ATOM 1110 C GLN A 74 -1.941 5.983 -11.375 1.00 0.00 C ATOM 1111 O GLN A 74 -2.913 6.699 -11.615 1.00 0.00 O ATOM 1112 CB GLN A 74 0.391 6.827 -11.701 1.00 0.00 C ATOM 1113 CG GLN A 74 1.681 7.342 -11.084 1.00 0.00 C ATOM 1114 CD GLN A 74 2.845 7.314 -12.055 1.00 0.00 C ATOM 1115 OE1 GLN A 74 2.797 7.933 -13.117 1.00 0.00 O ATOM 1116 NE2 GLN A 74 3.900 6.593 -11.694 1.00 0.00 N ATOM 0 H GLN A 74 0.767 5.395 -9.727 1.00 0.00 H new ATOM 0 HA GLN A 74 -0.987 7.478 -10.187 1.00 0.00 H new ATOM 0 HB2 GLN A 74 0.603 5.912 -12.255 1.00 0.00 H new ATOM 0 HB3 GLN A 74 0.025 7.559 -12.422 1.00 0.00 H new ATOM 0 HG2 GLN A 74 1.529 8.363 -10.734 1.00 0.00 H new ATOM 0 HG3 GLN A 74 1.927 6.739 -10.210 1.00 0.00 H new ATOM 0 HE21 GLN A 74 3.897 6.095 -10.804 1.00 0.00 H new ATOM 0 HE22 GLN A 74 4.713 6.537 -12.307 1.00 0.00 H new ATOM 1125 N ARG A 75 -1.894 4.695 -11.703 1.00 0.00 N ATOM 1126 CA ARG A 75 -3.005 4.036 -12.377 1.00 0.00 C ATOM 1127 C ARG A 75 -4.314 4.276 -11.630 1.00 0.00 C ATOM 1128 O ARG A 75 -5.381 4.362 -12.237 1.00 0.00 O ATOM 1129 CB ARG A 75 -2.740 2.534 -12.495 1.00 0.00 C ATOM 1130 CG ARG A 75 -1.445 2.199 -13.215 1.00 0.00 C ATOM 1131 CD ARG A 75 -1.467 0.783 -13.771 1.00 0.00 C ATOM 1132 NE ARG A 75 -0.552 0.624 -14.897 1.00 0.00 N ATOM 1133 CZ ARG A 75 -0.504 -0.465 -15.658 1.00 0.00 C ATOM 1134 NH1 ARG A 75 -1.316 -1.484 -15.412 1.00 0.00 N ATOM 1135 NH2 ARG A 75 0.356 -0.535 -16.666 1.00 0.00 N ATOM 0 H ARG A 75 -1.097 4.088 -11.512 1.00 0.00 H new ATOM 0 HA ARG A 75 -3.094 4.461 -13.377 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -2.713 2.099 -11.496 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -3.571 2.067 -13.024 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -1.285 2.908 -14.028 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -0.606 2.308 -12.527 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -1.198 0.080 -12.983 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -2.480 0.534 -14.088 1.00 0.00 H new ATOM 0 HE ARG A 75 0.086 1.391 -15.112 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -1.978 -1.433 -14.638 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -1.278 -2.319 -15.997 1.00 0.00 H new ATOM 0 HH21 ARG A 75 0.982 0.247 -16.858 1.00 0.00 H new ATOM 0 HH22 ARG A 75 0.392 -1.371 -17.249 1.00 0.00 H new ATOM 1149 N TRP A 76 -4.223 4.382 -10.309 1.00 0.00 N ATOM 1150 CA TRP A 76 -5.399 4.612 -9.477 1.00 0.00 C ATOM 1151 C TRP A 76 -5.671 6.103 -9.318 1.00 0.00 C ATOM 1152 O TRP A 76 -6.674 6.617 -9.813 1.00 0.00 O ATOM 1153 CB TRP A 76 -5.213 3.965 -8.104 1.00 0.00 C ATOM 1154 CG TRP A 76 -4.940 2.492 -8.173 1.00 0.00 C ATOM 1155 CD1 TRP A 76 -3.768 1.862 -7.871 1.00 0.00 C ATOM 1156 CD2 TRP A 76 -5.858 1.469 -8.572 1.00 0.00 C ATOM 1157 NE1 TRP A 76 -3.902 0.506 -8.057 1.00 0.00 N ATOM 1158 CE2 TRP A 76 -5.174 0.239 -8.486 1.00 0.00 C ATOM 1159 CE3 TRP A 76 -7.191 1.470 -8.992 1.00 0.00 C ATOM 1160 CZ2 TRP A 76 -5.780 -0.972 -8.806 1.00 0.00 C ATOM 1161 CZ3 TRP A 76 -7.791 0.265 -9.308 1.00 0.00 C ATOM 1162 CH2 TRP A 76 -7.086 -0.942 -9.214 1.00 0.00 C ATOM 0 H TRP A 76 -3.347 4.312 -9.791 1.00 0.00 H new ATOM 0 HA TRP A 76 -6.257 4.157 -9.972 1.00 0.00 H new ATOM 0 HB2 TRP A 76 -4.388 4.456 -7.588 1.00 0.00 H new ATOM 0 HB3 TRP A 76 -6.109 4.134 -7.507 1.00 0.00 H new ATOM 0 HD1 TRP A 76 -2.868 2.355 -7.535 1.00 0.00 H new ATOM 0 HE1 TRP A 76 -3.172 -0.188 -7.901 1.00 0.00 H new ATOM 0 HE3 TRP A 76 -7.743 2.395 -9.068 1.00 0.00 H new ATOM 0 HZ2 TRP A 76 -5.238 -1.904 -8.735 1.00 0.00 H new ATOM 0 HZ3 TRP A 76 -8.821 0.254 -9.633 1.00 0.00 H new ATOM 0 HH2 TRP A 76 -7.583 -1.867 -9.468 1.00 0.00 H new ATOM 1173 N ALA A 77 -4.771 6.793 -8.625 1.00 0.00 N ATOM 1174 CA ALA A 77 -4.913 8.227 -8.402 1.00 0.00 C ATOM 1175 C ALA A 77 -4.483 9.018 -9.633 1.00 0.00 C ATOM 1176 O ALA A 77 -5.316 9.576 -10.347 1.00 0.00 O ATOM 1177 CB ALA A 77 -4.105 8.655 -7.187 1.00 0.00 C ATOM 0 H ALA A 77 -3.936 6.382 -8.208 1.00 0.00 H new ATOM 0 HA ALA A 77 -5.966 8.439 -8.216 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -4.221 9.728 -7.033 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -4.462 8.121 -6.306 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -3.052 8.423 -7.350 1.00 0.00 H new ATOM 1183 N GLY A 78 -3.176 9.064 -9.874 1.00 0.00 N ATOM 1184 CA GLY A 78 -2.659 9.792 -11.018 1.00 0.00 C ATOM 1185 C GLY A 78 -1.270 10.347 -10.772 1.00 0.00 C ATOM 1186 O GLY A 78 -0.268 9.638 -10.865 1.00 0.00 O ATOM 0 H GLY A 78 -2.467 8.611 -9.298 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -2.635 9.131 -11.885 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -3.337 10.611 -11.260 1.00 0.00 H new ATOM 1190 N PRO A 79 -1.198 11.647 -10.449 1.00 0.00 N ATOM 1191 CA PRO A 79 0.074 12.328 -10.183 1.00 0.00 C ATOM 1192 C PRO A 79 0.715 11.868 -8.879 1.00 0.00 C ATOM 1193 O PRO A 79 0.193 12.128 -7.794 1.00 0.00 O ATOM 1194 CB PRO A 79 -0.324 13.802 -10.093 1.00 0.00 C ATOM 1195 CG PRO A 79 -1.758 13.783 -9.688 1.00 0.00 C ATOM 1196 CD PRO A 79 -2.351 12.554 -10.320 1.00 0.00 C ATOM 0 HA PRO A 79 0.817 12.120 -10.953 1.00 0.00 H new ATOM 0 HB2 PRO A 79 0.287 14.333 -9.363 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -0.189 14.308 -11.049 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -1.857 13.750 -8.603 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -2.271 14.683 -10.027 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -3.135 12.121 -9.699 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -2.798 12.776 -11.289 1.00 0.00 H new ATOM 1204 N LEU A 80 1.849 11.186 -8.991 1.00 0.00 N ATOM 1205 CA LEU A 80 2.563 10.690 -7.818 1.00 0.00 C ATOM 1206 C LEU A 80 4.016 11.154 -7.829 1.00 0.00 C ATOM 1207 O LEU A 80 4.762 10.917 -8.778 1.00 0.00 O ATOM 1208 CB LEU A 80 2.504 9.163 -7.769 1.00 0.00 C ATOM 1209 CG LEU A 80 1.305 8.560 -7.036 1.00 0.00 C ATOM 1210 CD1 LEU A 80 1.365 8.890 -5.553 1.00 0.00 C ATOM 1211 CD2 LEU A 80 0.002 9.061 -7.643 1.00 0.00 C ATOM 0 H LEU A 80 2.294 10.963 -9.881 1.00 0.00 H new ATOM 0 HA LEU A 80 2.078 11.095 -6.930 1.00 0.00 H new ATOM 0 HB2 LEU A 80 2.506 8.786 -8.792 1.00 0.00 H new ATOM 0 HB3 LEU A 80 3.415 8.799 -7.294 1.00 0.00 H new ATOM 0 HG LEU A 80 1.342 7.476 -7.148 1.00 0.00 H new ATOM 0 HD11 LEU A 80 0.504 8.453 -5.048 1.00 0.00 H new ATOM 0 HD12 LEU A 80 2.282 8.482 -5.126 1.00 0.00 H new ATOM 0 HD13 LEU A 80 1.353 9.972 -5.420 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -0.841 8.622 -7.109 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -0.043 10.147 -7.562 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -0.044 8.773 -8.693 1.00 0.00 H new ATOM 1223 N PRO A 81 4.428 11.831 -6.746 1.00 0.00 N ATOM 1224 CA PRO A 81 5.796 12.340 -6.605 1.00 0.00 C ATOM 1225 C PRO A 81 6.814 11.221 -6.416 1.00 0.00 C ATOM 1226 O PRO A 81 6.449 10.069 -6.188 1.00 0.00 O ATOM 1227 CB PRO A 81 5.721 13.213 -5.351 1.00 0.00 C ATOM 1228 CG PRO A 81 4.586 12.654 -4.566 1.00 0.00 C ATOM 1229 CD PRO A 81 3.593 12.149 -5.577 1.00 0.00 C ATOM 0 HA PRO A 81 6.126 12.876 -7.495 1.00 0.00 H new ATOM 0 HB2 PRO A 81 6.651 13.173 -4.785 1.00 0.00 H new ATOM 0 HB3 PRO A 81 5.548 14.258 -5.607 1.00 0.00 H new ATOM 0 HG2 PRO A 81 4.922 11.849 -3.913 1.00 0.00 H new ATOM 0 HG3 PRO A 81 4.140 13.417 -3.928 1.00 0.00 H new ATOM 0 HD2 PRO A 81 3.060 11.271 -5.213 1.00 0.00 H new ATOM 0 HD3 PRO A 81 2.841 12.902 -5.813 1.00 0.00 H new ATOM 1237 N ALA A 82 8.093 11.570 -6.512 1.00 0.00 N ATOM 1238 CA ALA A 82 9.165 10.595 -6.349 1.00 0.00 C ATOM 1239 C ALA A 82 9.985 10.885 -5.096 1.00 0.00 C ATOM 1240 O ALA A 82 10.192 10.006 -4.258 1.00 0.00 O ATOM 1241 CB ALA A 82 10.061 10.584 -7.578 1.00 0.00 C ATOM 0 H ALA A 82 8.412 12.520 -6.702 1.00 0.00 H new ATOM 0 HA ALA A 82 8.712 9.610 -6.235 1.00 0.00 H new ATOM 0 HB1 ALA A 82 10.857 9.851 -7.442 1.00 0.00 H new ATOM 0 HB2 ALA A 82 9.471 10.320 -8.456 1.00 0.00 H new ATOM 0 HB3 ALA A 82 10.498 11.573 -7.718 1.00 0.00 H new ATOM 1247 N THR A 83 10.453 12.124 -4.974 1.00 0.00 N ATOM 1248 CA THR A 83 11.252 12.529 -3.825 1.00 0.00 C ATOM 1249 C THR A 83 10.414 12.548 -2.552 1.00 0.00 C ATOM 1250 O THR A 83 10.917 12.278 -1.461 1.00 0.00 O ATOM 1251 CB THR A 83 11.875 13.922 -4.038 1.00 0.00 C ATOM 1252 OG1 THR A 83 12.344 14.444 -2.790 1.00 0.00 O ATOM 1253 CG2 THR A 83 10.862 14.881 -4.646 1.00 0.00 C ATOM 0 H THR A 83 10.292 12.864 -5.657 1.00 0.00 H new ATOM 0 HA THR A 83 12.050 11.794 -3.720 1.00 0.00 H new ATOM 0 HB THR A 83 12.713 13.820 -4.727 1.00 0.00 H new ATOM 0 HG1 THR A 83 12.740 15.329 -2.934 1.00 0.00 H new ATOM 0 HG21 THR A 83 11.325 15.858 -4.787 1.00 0.00 H new ATOM 0 HG22 THR A 83 10.528 14.495 -5.609 1.00 0.00 H new ATOM 0 HG23 THR A 83 10.006 14.978 -3.978 1.00 0.00 H new ATOM 1261 N HIS A 84 9.132 12.870 -2.697 1.00 0.00 N ATOM 1262 CA HIS A 84 8.223 12.923 -1.557 1.00 0.00 C ATOM 1263 C HIS A 84 8.121 11.560 -0.880 1.00 0.00 C ATOM 1264 O HIS A 84 8.009 11.469 0.343 1.00 0.00 O ATOM 1265 CB HIS A 84 6.838 13.388 -2.005 1.00 0.00 C ATOM 1266 CG HIS A 84 6.818 14.790 -2.533 1.00 0.00 C ATOM 1267 ND1 HIS A 84 5.671 15.553 -2.596 1.00 0.00 N ATOM 1268 CD2 HIS A 84 7.813 15.565 -3.021 1.00 0.00 C ATOM 1269 CE1 HIS A 84 5.962 16.739 -3.103 1.00 0.00 C ATOM 1270 NE2 HIS A 84 7.255 16.772 -3.369 1.00 0.00 N ATOM 0 H HIS A 84 8.699 13.098 -3.592 1.00 0.00 H new ATOM 0 HA HIS A 84 8.623 13.637 -0.837 1.00 0.00 H new ATOM 0 HB2 HIS A 84 6.469 12.713 -2.777 1.00 0.00 H new ATOM 0 HB3 HIS A 84 6.150 13.316 -1.163 1.00 0.00 H new ATOM 0 HD2 HIS A 84 8.852 15.287 -3.119 1.00 0.00 H new ATOM 0 HE1 HIS A 84 5.261 17.544 -3.271 1.00 0.00 H new ATOM 0 HE2 HIS A 84 7.758 17.565 -3.768 1.00 0.00 H new ATOM 1279 N LEU A 85 8.160 10.501 -1.682 1.00 0.00 N ATOM 1280 CA LEU A 85 8.071 9.142 -1.160 1.00 0.00 C ATOM 1281 C LEU A 85 9.211 8.856 -0.189 1.00 0.00 C ATOM 1282 O LEU A 85 10.283 9.454 -0.281 1.00 0.00 O ATOM 1283 CB LEU A 85 8.098 8.132 -2.308 1.00 0.00 C ATOM 1284 CG LEU A 85 7.704 6.697 -1.950 1.00 0.00 C ATOM 1285 CD1 LEU A 85 6.284 6.654 -1.406 1.00 0.00 C ATOM 1286 CD2 LEU A 85 7.842 5.788 -3.162 1.00 0.00 C ATOM 0 H LEU A 85 8.253 10.558 -2.696 1.00 0.00 H new ATOM 0 HA LEU A 85 7.128 9.046 -0.622 1.00 0.00 H new ATOM 0 HB2 LEU A 85 7.429 8.486 -3.093 1.00 0.00 H new ATOM 0 HB3 LEU A 85 9.103 8.117 -2.729 1.00 0.00 H new ATOM 0 HG LEU A 85 8.379 6.337 -1.174 1.00 0.00 H new ATOM 0 HD11 LEU A 85 6.021 5.626 -1.157 1.00 0.00 H new ATOM 0 HD12 LEU A 85 6.218 7.273 -0.511 1.00 0.00 H new ATOM 0 HD13 LEU A 85 5.594 7.033 -2.160 1.00 0.00 H new ATOM 0 HD21 LEU A 85 7.558 4.772 -2.889 1.00 0.00 H new ATOM 0 HD22 LEU A 85 7.191 6.145 -3.960 1.00 0.00 H new ATOM 0 HD23 LEU A 85 8.876 5.795 -3.506 1.00 0.00 H new ATOM 1298 N ARG A 86 8.974 7.937 0.742 1.00 0.00 N ATOM 1299 CA ARG A 86 9.981 7.571 1.730 1.00 0.00 C ATOM 1300 C ARG A 86 9.579 6.297 2.469 1.00 0.00 C ATOM 1301 O ARG A 86 8.402 5.942 2.521 1.00 0.00 O ATOM 1302 CB ARG A 86 10.185 8.711 2.729 1.00 0.00 C ATOM 1303 CG ARG A 86 8.894 9.203 3.361 1.00 0.00 C ATOM 1304 CD ARG A 86 9.150 10.345 4.332 1.00 0.00 C ATOM 1305 NE ARG A 86 7.959 10.681 5.108 1.00 0.00 N ATOM 1306 CZ ARG A 86 6.948 11.400 4.631 1.00 0.00 C ATOM 1307 NH1 ARG A 86 6.985 11.854 3.386 1.00 0.00 N ATOM 1308 NH2 ARG A 86 5.900 11.663 5.399 1.00 0.00 N ATOM 0 H ARG A 86 8.092 7.432 0.832 1.00 0.00 H new ATOM 0 HA ARG A 86 10.918 7.386 1.205 1.00 0.00 H new ATOM 0 HB2 ARG A 86 10.861 8.377 3.516 1.00 0.00 H new ATOM 0 HB3 ARG A 86 10.673 9.544 2.223 1.00 0.00 H new ATOM 0 HG2 ARG A 86 8.209 9.534 2.581 1.00 0.00 H new ATOM 0 HG3 ARG A 86 8.407 8.380 3.885 1.00 0.00 H new ATOM 0 HD2 ARG A 86 9.959 10.070 5.009 1.00 0.00 H new ATOM 0 HD3 ARG A 86 9.482 11.224 3.779 1.00 0.00 H new ATOM 0 HE ARG A 86 7.900 10.345 6.069 1.00 0.00 H new ATOM 0 HH11 ARG A 86 7.790 11.652 2.793 1.00 0.00 H new ATOM 0 HH12 ARG A 86 6.209 12.406 3.021 1.00 0.00 H new ATOM 0 HH21 ARG A 86 5.869 11.314 6.357 1.00 0.00 H new ATOM 0 HH22 ARG A 86 5.125 12.215 5.032 1.00 0.00 H new ATOM 1322 N HIS A 87 10.567 5.615 3.040 1.00 0.00 N ATOM 1323 CA HIS A 87 10.317 4.381 3.776 1.00 0.00 C ATOM 1324 C HIS A 87 10.132 4.665 5.265 1.00 0.00 C ATOM 1325 O HIS A 87 11.046 5.150 5.932 1.00 0.00 O ATOM 1326 CB HIS A 87 11.470 3.398 3.572 1.00 0.00 C ATOM 1327 CG HIS A 87 11.523 2.314 4.606 1.00 0.00 C ATOM 1328 ND1 HIS A 87 12.333 2.375 5.719 1.00 0.00 N ATOM 1329 CD2 HIS A 87 10.859 1.138 4.689 1.00 0.00 C ATOM 1330 CE1 HIS A 87 12.167 1.283 6.443 1.00 0.00 C ATOM 1331 NE2 HIS A 87 11.276 0.516 5.840 1.00 0.00 N ATOM 0 H HIS A 87 11.547 5.896 3.007 1.00 0.00 H new ATOM 0 HA HIS A 87 9.399 3.937 3.391 1.00 0.00 H new ATOM 0 HB2 HIS A 87 11.379 2.944 2.585 1.00 0.00 H new ATOM 0 HB3 HIS A 87 12.411 3.947 3.584 1.00 0.00 H new ATOM 0 HD2 HIS A 87 10.136 0.759 3.982 1.00 0.00 H new ATOM 0 HE1 HIS A 87 12.673 1.056 7.370 1.00 0.00 H new ATOM 0 HE2 HIS A 87 10.951 -0.391 6.175 1.00 0.00 H new ATOM 1340 N LEU A 88 8.945 4.360 5.777 1.00 0.00 N ATOM 1341 CA LEU A 88 8.640 4.582 7.186 1.00 0.00 C ATOM 1342 C LEU A 88 8.224 3.282 7.866 1.00 0.00 C ATOM 1343 O LEU A 88 7.049 2.920 7.868 1.00 0.00 O ATOM 1344 CB LEU A 88 7.529 5.624 7.329 1.00 0.00 C ATOM 1345 CG LEU A 88 7.644 6.855 6.430 1.00 0.00 C ATOM 1346 CD1 LEU A 88 6.442 7.768 6.619 1.00 0.00 C ATOM 1347 CD2 LEU A 88 8.935 7.607 6.715 1.00 0.00 C ATOM 0 H LEU A 88 8.178 3.958 5.238 1.00 0.00 H new ATOM 0 HA LEU A 88 9.542 4.952 7.673 1.00 0.00 H new ATOM 0 HB2 LEU A 88 6.575 5.138 7.126 1.00 0.00 H new ATOM 0 HB3 LEU A 88 7.503 5.958 8.366 1.00 0.00 H new ATOM 0 HG LEU A 88 7.663 6.521 5.392 1.00 0.00 H new ATOM 0 HD11 LEU A 88 6.541 8.639 5.971 1.00 0.00 H new ATOM 0 HD12 LEU A 88 5.531 7.227 6.363 1.00 0.00 H new ATOM 0 HD13 LEU A 88 6.392 8.093 7.658 1.00 0.00 H new ATOM 0 HD21 LEU A 88 8.999 8.480 6.065 1.00 0.00 H new ATOM 0 HD22 LEU A 88 8.947 7.928 7.757 1.00 0.00 H new ATOM 0 HD23 LEU A 88 9.786 6.952 6.528 1.00 0.00 H new ATOM 1359 N GLY A 89 9.197 2.584 8.442 1.00 0.00 N ATOM 1360 CA GLY A 89 8.912 1.332 9.119 1.00 0.00 C ATOM 1361 C GLY A 89 8.455 0.248 8.164 1.00 0.00 C ATOM 1362 O GLY A 89 8.432 0.451 6.951 1.00 0.00 O ATOM 0 H GLY A 89 10.178 2.863 8.452 1.00 0.00 H new ATOM 0 HA2 GLY A 89 9.805 0.995 9.645 1.00 0.00 H new ATOM 0 HA3 GLY A 89 8.142 1.497 9.872 1.00 0.00 H new ATOM 1366 N GLU A 90 8.092 -0.908 8.713 1.00 0.00 N ATOM 1367 CA GLU A 90 7.636 -2.029 7.900 1.00 0.00 C ATOM 1368 C GLU A 90 6.627 -2.881 8.664 1.00 0.00 C ATOM 1369 O GLU A 90 6.440 -2.710 9.869 1.00 0.00 O ATOM 1370 CB GLU A 90 8.825 -2.890 7.467 1.00 0.00 C ATOM 1371 CG GLU A 90 9.325 -3.825 8.554 1.00 0.00 C ATOM 1372 CD GLU A 90 10.126 -3.103 9.622 1.00 0.00 C ATOM 1373 OE1 GLU A 90 11.095 -2.401 9.263 1.00 0.00 O ATOM 1374 OE2 GLU A 90 9.784 -3.240 10.815 1.00 0.00 O ATOM 0 H GLU A 90 8.105 -1.092 9.716 1.00 0.00 H new ATOM 0 HA GLU A 90 7.146 -1.626 7.013 1.00 0.00 H new ATOM 0 HB2 GLU A 90 8.538 -3.479 6.596 1.00 0.00 H new ATOM 0 HB3 GLU A 90 9.641 -2.238 7.156 1.00 0.00 H new ATOM 0 HG2 GLU A 90 8.474 -4.324 9.018 1.00 0.00 H new ATOM 0 HG3 GLU A 90 9.944 -4.602 8.104 1.00 0.00 H new ATOM 1381 N VAL A 91 5.979 -3.799 7.954 1.00 0.00 N ATOM 1382 CA VAL A 91 4.989 -4.679 8.565 1.00 0.00 C ATOM 1383 C VAL A 91 5.076 -6.087 7.989 1.00 0.00 C ATOM 1384 O VAL A 91 4.693 -6.327 6.844 1.00 0.00 O ATOM 1385 CB VAL A 91 3.560 -4.141 8.363 1.00 0.00 C ATOM 1386 CG1 VAL A 91 2.540 -5.100 8.957 1.00 0.00 C ATOM 1387 CG2 VAL A 91 3.421 -2.756 8.975 1.00 0.00 C ATOM 0 H VAL A 91 6.121 -3.953 6.956 1.00 0.00 H new ATOM 0 HA VAL A 91 5.210 -4.712 9.632 1.00 0.00 H new ATOM 0 HB VAL A 91 3.368 -4.061 7.293 1.00 0.00 H new ATOM 0 HG11 VAL A 91 1.536 -4.703 8.805 1.00 0.00 H new ATOM 0 HG12 VAL A 91 2.625 -6.070 8.468 1.00 0.00 H new ATOM 0 HG13 VAL A 91 2.727 -5.214 10.025 1.00 0.00 H new ATOM 0 HG21 VAL A 91 2.405 -2.391 8.823 1.00 0.00 H new ATOM 0 HG22 VAL A 91 3.632 -2.807 10.043 1.00 0.00 H new ATOM 0 HG23 VAL A 91 4.126 -2.075 8.498 1.00 0.00 H new ATOM 1397 N VAL A 92 5.584 -7.018 8.791 1.00 0.00 N ATOM 1398 CA VAL A 92 5.720 -8.406 8.362 1.00 0.00 C ATOM 1399 C VAL A 92 4.803 -9.321 9.163 1.00 0.00 C ATOM 1400 O VAL A 92 5.052 -9.596 10.337 1.00 0.00 O ATOM 1401 CB VAL A 92 7.173 -8.897 8.508 1.00 0.00 C ATOM 1402 CG1 VAL A 92 7.233 -10.415 8.425 1.00 0.00 C ATOM 1403 CG2 VAL A 92 8.059 -8.262 7.446 1.00 0.00 C ATOM 0 H VAL A 92 5.908 -6.837 9.741 1.00 0.00 H new ATOM 0 HA VAL A 92 5.435 -8.443 7.311 1.00 0.00 H new ATOM 0 HB VAL A 92 7.545 -8.594 9.487 1.00 0.00 H new ATOM 0 HG11 VAL A 92 8.267 -10.745 8.530 1.00 0.00 H new ATOM 0 HG12 VAL A 92 6.631 -10.847 9.225 1.00 0.00 H new ATOM 0 HG13 VAL A 92 6.844 -10.742 7.461 1.00 0.00 H new ATOM 0 HG21 VAL A 92 9.082 -8.620 7.564 1.00 0.00 H new ATOM 0 HG22 VAL A 92 7.692 -8.533 6.456 1.00 0.00 H new ATOM 0 HG23 VAL A 92 8.039 -7.178 7.556 1.00 0.00 H new ATOM 1413 N HIS A 93 3.738 -9.793 8.520 1.00 0.00 N ATOM 1414 CA HIS A 93 2.782 -10.680 9.173 1.00 0.00 C ATOM 1415 C HIS A 93 3.015 -12.130 8.757 1.00 0.00 C ATOM 1416 O HIS A 93 3.595 -12.400 7.705 1.00 0.00 O ATOM 1417 CB HIS A 93 1.352 -10.263 8.831 1.00 0.00 C ATOM 1418 CG HIS A 93 0.308 -11.031 9.581 1.00 0.00 C ATOM 1419 ND1 HIS A 93 -0.499 -10.462 10.543 1.00 0.00 N ATOM 1420 CD2 HIS A 93 -0.060 -12.331 9.505 1.00 0.00 C ATOM 1421 CE1 HIS A 93 -1.317 -11.379 11.028 1.00 0.00 C ATOM 1422 NE2 HIS A 93 -1.072 -12.522 10.414 1.00 0.00 N ATOM 0 H HIS A 93 3.516 -9.576 7.548 1.00 0.00 H new ATOM 0 HA HIS A 93 2.928 -10.601 10.250 1.00 0.00 H new ATOM 0 HB2 HIS A 93 1.232 -9.201 9.043 1.00 0.00 H new ATOM 0 HB3 HIS A 93 1.190 -10.395 7.761 1.00 0.00 H new ATOM 0 HD2 HIS A 93 0.363 -13.079 8.851 1.00 0.00 H new ATOM 0 HE1 HIS A 93 -2.060 -11.221 11.796 1.00 0.00 H new ATOM 0 HE2 HIS A 93 -1.556 -13.403 10.587 1.00 0.00 H new ATOM 1431 N THR A 94 2.560 -13.059 9.592 1.00 0.00 N ATOM 1432 CA THR A 94 2.720 -14.480 9.313 1.00 0.00 C ATOM 1433 C THR A 94 1.384 -15.210 9.388 1.00 0.00 C ATOM 1434 O THR A 94 0.693 -15.157 10.404 1.00 0.00 O ATOM 1435 CB THR A 94 3.707 -15.138 10.296 1.00 0.00 C ATOM 1436 OG1 THR A 94 4.909 -14.366 10.375 1.00 0.00 O ATOM 1437 CG2 THR A 94 4.038 -16.558 9.862 1.00 0.00 C ATOM 0 H THR A 94 2.078 -12.852 10.467 1.00 0.00 H new ATOM 0 HA THR A 94 3.118 -14.560 8.301 1.00 0.00 H new ATOM 0 HB THR A 94 3.235 -15.176 11.278 1.00 0.00 H new ATOM 0 HG1 THR A 94 5.530 -14.791 11.003 1.00 0.00 H new ATOM 0 HG21 THR A 94 4.736 -17.002 10.571 1.00 0.00 H new ATOM 0 HG22 THR A 94 3.124 -17.152 9.832 1.00 0.00 H new ATOM 0 HG23 THR A 94 4.491 -16.539 8.871 1.00 0.00 H new ATOM 1445 N PHE A 95 1.025 -15.891 8.304 1.00 0.00 N ATOM 1446 CA PHE A 95 -0.230 -16.631 8.247 1.00 0.00 C ATOM 1447 C PHE A 95 0.023 -18.135 8.305 1.00 0.00 C ATOM 1448 O PHE A 95 1.167 -18.581 8.390 1.00 0.00 O ATOM 1449 CB PHE A 95 -0.996 -16.280 6.970 1.00 0.00 C ATOM 1450 CG PHE A 95 -1.300 -14.815 6.837 1.00 0.00 C ATOM 1451 CD1 PHE A 95 -1.924 -14.128 7.865 1.00 0.00 C ATOM 1452 CD2 PHE A 95 -0.959 -14.126 5.685 1.00 0.00 C ATOM 1453 CE1 PHE A 95 -2.206 -12.780 7.746 1.00 0.00 C ATOM 1454 CE2 PHE A 95 -1.239 -12.777 5.559 1.00 0.00 C ATOM 1455 CZ PHE A 95 -1.861 -12.104 6.591 1.00 0.00 C ATOM 0 H PHE A 95 1.586 -15.945 7.454 1.00 0.00 H new ATOM 0 HA PHE A 95 -0.830 -16.347 9.112 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -0.414 -16.602 6.107 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -1.931 -16.840 6.951 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -2.193 -14.652 8.770 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -0.469 -14.648 4.876 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -2.695 -12.256 8.554 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -0.971 -12.251 4.654 1.00 0.00 H new ATOM 0 HZ PHE A 95 -2.078 -11.050 6.496 1.00 0.00 H new ATOM 1465 N SER A 96 -1.054 -18.912 8.257 1.00 0.00 N ATOM 1466 CA SER A 96 -0.951 -20.366 8.309 1.00 0.00 C ATOM 1467 C SER A 96 0.103 -20.871 7.329 1.00 0.00 C ATOM 1468 O SER A 96 0.056 -20.568 6.136 1.00 0.00 O ATOM 1469 CB SER A 96 -2.305 -21.006 7.992 1.00 0.00 C ATOM 1470 OG SER A 96 -3.154 -20.989 9.127 1.00 0.00 O ATOM 0 H SER A 96 -2.008 -18.559 8.182 1.00 0.00 H new ATOM 0 HA SER A 96 -0.650 -20.648 9.318 1.00 0.00 H new ATOM 0 HB2 SER A 96 -2.780 -20.471 7.170 1.00 0.00 H new ATOM 0 HB3 SER A 96 -2.157 -22.034 7.660 1.00 0.00 H new ATOM 0 HG SER A 96 -4.013 -21.402 8.899 1.00 0.00 H new ATOM 1476 N HIS A 97 1.057 -21.642 7.842 1.00 0.00 N ATOM 1477 CA HIS A 97 2.126 -22.190 7.013 1.00 0.00 C ATOM 1478 C HIS A 97 2.515 -21.210 5.911 1.00 0.00 C ATOM 1479 O HIS A 97 2.942 -21.615 4.830 1.00 0.00 O ATOM 1480 CB HIS A 97 1.690 -23.520 6.398 1.00 0.00 C ATOM 1481 CG HIS A 97 1.097 -23.382 5.029 1.00 0.00 C ATOM 1482 ND1 HIS A 97 1.712 -23.860 3.891 1.00 0.00 N ATOM 1483 CD2 HIS A 97 -0.062 -22.817 4.621 1.00 0.00 C ATOM 1484 CE1 HIS A 97 0.956 -23.594 2.841 1.00 0.00 C ATOM 1485 NE2 HIS A 97 -0.126 -22.961 3.256 1.00 0.00 N ATOM 0 H HIS A 97 1.112 -21.901 8.827 1.00 0.00 H new ATOM 0 HA HIS A 97 2.996 -22.359 7.648 1.00 0.00 H new ATOM 0 HB2 HIS A 97 2.551 -24.186 6.346 1.00 0.00 H new ATOM 0 HB3 HIS A 97 0.960 -23.993 7.055 1.00 0.00 H new ATOM 0 HD2 HIS A 97 -0.800 -22.341 5.251 1.00 0.00 H new ATOM 0 HE1 HIS A 97 1.184 -23.851 1.817 1.00 0.00 H new ATOM 0 HE2 HIS A 97 -0.886 -22.632 2.660 1.00 0.00 H new ATOM 1494 N ILE A 98 2.365 -19.919 6.192 1.00 0.00 N ATOM 1495 CA ILE A 98 2.702 -18.883 5.226 1.00 0.00 C ATOM 1496 C ILE A 98 3.247 -17.640 5.920 1.00 0.00 C ATOM 1497 O ILE A 98 2.991 -17.412 7.102 1.00 0.00 O ATOM 1498 CB ILE A 98 1.480 -18.488 4.375 1.00 0.00 C ATOM 1499 CG1 ILE A 98 1.036 -19.665 3.504 1.00 0.00 C ATOM 1500 CG2 ILE A 98 1.803 -17.277 3.513 1.00 0.00 C ATOM 1501 CD1 ILE A 98 -0.410 -19.582 3.066 1.00 0.00 C ATOM 0 H ILE A 98 2.012 -19.567 7.082 1.00 0.00 H new ATOM 0 HA ILE A 98 3.470 -19.298 4.574 1.00 0.00 H new ATOM 0 HB ILE A 98 0.660 -18.225 5.044 1.00 0.00 H new ATOM 0 HG12 ILE A 98 1.672 -19.713 2.620 1.00 0.00 H new ATOM 0 HG13 ILE A 98 1.187 -20.592 4.056 1.00 0.00 H new ATOM 0 HG21 ILE A 98 0.930 -17.011 2.918 1.00 0.00 H new ATOM 0 HG22 ILE A 98 2.076 -16.438 4.152 1.00 0.00 H new ATOM 0 HG23 ILE A 98 2.635 -17.514 2.850 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -0.655 -20.449 2.452 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -1.056 -19.565 3.944 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -0.563 -18.672 2.486 1.00 0.00 H new ATOM 1513 N LYS A 99 3.999 -16.835 5.176 1.00 0.00 N ATOM 1514 CA LYS A 99 4.578 -15.612 5.717 1.00 0.00 C ATOM 1515 C LYS A 99 4.500 -14.476 4.701 1.00 0.00 C ATOM 1516 O LYS A 99 4.880 -14.641 3.541 1.00 0.00 O ATOM 1517 CB LYS A 99 6.035 -15.848 6.123 1.00 0.00 C ATOM 1518 CG LYS A 99 6.502 -14.958 7.261 1.00 0.00 C ATOM 1519 CD LYS A 99 6.793 -13.546 6.781 1.00 0.00 C ATOM 1520 CE LYS A 99 8.203 -13.427 6.224 1.00 0.00 C ATOM 1521 NZ LYS A 99 8.256 -13.757 4.773 1.00 0.00 N ATOM 0 H LYS A 99 4.221 -17.009 4.196 1.00 0.00 H new ATOM 0 HA LYS A 99 4.003 -15.328 6.598 1.00 0.00 H new ATOM 0 HB2 LYS A 99 6.157 -16.891 6.415 1.00 0.00 H new ATOM 0 HB3 LYS A 99 6.676 -15.682 5.257 1.00 0.00 H new ATOM 0 HG2 LYS A 99 5.738 -14.929 8.038 1.00 0.00 H new ATOM 0 HG3 LYS A 99 7.399 -15.382 7.711 1.00 0.00 H new ATOM 0 HD2 LYS A 99 6.072 -13.266 6.013 1.00 0.00 H new ATOM 0 HD3 LYS A 99 6.667 -12.846 7.607 1.00 0.00 H new ATOM 0 HE2 LYS A 99 8.570 -12.413 6.379 1.00 0.00 H new ATOM 0 HE3 LYS A 99 8.868 -14.094 6.773 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 8.791 -13.021 4.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 8.725 -14.676 4.643 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 7.289 -13.804 4.392 1.00 0.00 H new ATOM 1535 N LEU A 100 4.008 -13.325 5.144 1.00 0.00 N ATOM 1536 CA LEU A 100 3.883 -12.162 4.273 1.00 0.00 C ATOM 1537 C LEU A 100 4.784 -11.025 4.748 1.00 0.00 C ATOM 1538 O LEU A 100 5.094 -10.920 5.935 1.00 0.00 O ATOM 1539 CB LEU A 100 2.430 -11.689 4.227 1.00 0.00 C ATOM 1540 CG LEU A 100 1.556 -12.313 3.138 1.00 0.00 C ATOM 1541 CD1 LEU A 100 1.916 -11.747 1.773 1.00 0.00 C ATOM 1542 CD2 LEU A 100 1.698 -13.828 3.144 1.00 0.00 C ATOM 0 H LEU A 100 3.689 -13.172 6.101 1.00 0.00 H new ATOM 0 HA LEU A 100 4.196 -12.455 3.271 1.00 0.00 H new ATOM 0 HB2 LEU A 100 1.971 -11.893 5.195 1.00 0.00 H new ATOM 0 HB3 LEU A 100 2.425 -10.607 4.094 1.00 0.00 H new ATOM 0 HG LEU A 100 0.516 -12.064 3.347 1.00 0.00 H new ATOM 0 HD11 LEU A 100 1.283 -12.203 1.012 1.00 0.00 H new ATOM 0 HD12 LEU A 100 1.762 -10.668 1.774 1.00 0.00 H new ATOM 0 HD13 LEU A 100 2.961 -11.964 1.554 1.00 0.00 H new ATOM 0 HD21 LEU A 100 1.069 -14.255 2.363 1.00 0.00 H new ATOM 0 HD22 LEU A 100 2.738 -14.097 2.960 1.00 0.00 H new ATOM 0 HD23 LEU A 100 1.388 -14.219 4.113 1.00 0.00 H new ATOM 1554 N THR A 101 5.199 -10.176 3.815 1.00 0.00 N ATOM 1555 CA THR A 101 6.063 -9.046 4.138 1.00 0.00 C ATOM 1556 C THR A 101 5.586 -7.775 3.447 1.00 0.00 C ATOM 1557 O THR A 101 5.665 -7.654 2.224 1.00 0.00 O ATOM 1558 CB THR A 101 7.523 -9.322 3.731 1.00 0.00 C ATOM 1559 OG1 THR A 101 8.018 -10.470 4.430 1.00 0.00 O ATOM 1560 CG2 THR A 101 8.404 -8.120 4.032 1.00 0.00 C ATOM 0 H THR A 101 4.951 -10.248 2.828 1.00 0.00 H new ATOM 0 HA THR A 101 6.014 -8.909 5.218 1.00 0.00 H new ATOM 0 HB THR A 101 7.549 -9.512 2.658 1.00 0.00 H new ATOM 0 HG1 THR A 101 8.946 -10.640 4.165 1.00 0.00 H new ATOM 0 HG21 THR A 101 9.430 -8.338 3.736 1.00 0.00 H new ATOM 0 HG22 THR A 101 8.042 -7.255 3.476 1.00 0.00 H new ATOM 0 HG23 THR A 101 8.372 -7.904 5.100 1.00 0.00 H new ATOM 1568 N TYR A 102 5.093 -6.827 4.237 1.00 0.00 N ATOM 1569 CA TYR A 102 4.602 -5.564 3.700 1.00 0.00 C ATOM 1570 C TYR A 102 5.530 -4.413 4.080 1.00 0.00 C ATOM 1571 O TYR A 102 5.953 -4.297 5.229 1.00 0.00 O ATOM 1572 CB TYR A 102 3.188 -5.283 4.211 1.00 0.00 C ATOM 1573 CG TYR A 102 2.136 -6.187 3.608 1.00 0.00 C ATOM 1574 CD1 TYR A 102 1.920 -7.465 4.108 1.00 0.00 C ATOM 1575 CD2 TYR A 102 1.357 -5.761 2.538 1.00 0.00 C ATOM 1576 CE1 TYR A 102 0.960 -8.293 3.559 1.00 0.00 C ATOM 1577 CE2 TYR A 102 0.394 -6.583 1.985 1.00 0.00 C ATOM 1578 CZ TYR A 102 0.200 -7.848 2.498 1.00 0.00 C ATOM 1579 OH TYR A 102 -0.758 -8.670 1.950 1.00 0.00 O ATOM 0 H TYR A 102 5.023 -6.910 5.251 1.00 0.00 H new ATOM 0 HA TYR A 102 4.579 -5.645 2.613 1.00 0.00 H new ATOM 0 HB2 TYR A 102 3.173 -5.395 5.295 1.00 0.00 H new ATOM 0 HB3 TYR A 102 2.932 -4.246 3.994 1.00 0.00 H new ATOM 0 HD1 TYR A 102 2.512 -7.817 4.940 1.00 0.00 H new ATOM 0 HD2 TYR A 102 1.507 -4.771 2.133 1.00 0.00 H new ATOM 0 HE1 TYR A 102 0.805 -9.284 3.959 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -0.204 -6.236 1.155 1.00 0.00 H new ATOM 0 HH TYR A 102 -1.205 -8.205 1.212 1.00 0.00 H new ATOM 1589 N GLN A 103 5.841 -3.566 3.104 1.00 0.00 N ATOM 1590 CA GLN A 103 6.718 -2.425 3.335 1.00 0.00 C ATOM 1591 C GLN A 103 5.913 -1.135 3.457 1.00 0.00 C ATOM 1592 O GLN A 103 5.264 -0.703 2.503 1.00 0.00 O ATOM 1593 CB GLN A 103 7.736 -2.298 2.200 1.00 0.00 C ATOM 1594 CG GLN A 103 8.552 -3.561 1.973 1.00 0.00 C ATOM 1595 CD GLN A 103 9.594 -3.785 3.051 1.00 0.00 C ATOM 1596 OE1 GLN A 103 10.613 -3.095 3.100 1.00 0.00 O ATOM 1597 NE2 GLN A 103 9.342 -4.753 3.926 1.00 0.00 N ATOM 0 H GLN A 103 5.499 -3.649 2.147 1.00 0.00 H new ATOM 0 HA GLN A 103 7.248 -2.592 4.273 1.00 0.00 H new ATOM 0 HB2 GLN A 103 7.212 -2.043 1.279 1.00 0.00 H new ATOM 0 HB3 GLN A 103 8.413 -1.472 2.420 1.00 0.00 H new ATOM 0 HG2 GLN A 103 7.882 -4.420 1.937 1.00 0.00 H new ATOM 0 HG3 GLN A 103 9.046 -3.501 1.003 1.00 0.00 H new ATOM 0 HE21 GLN A 103 8.485 -5.300 3.848 1.00 0.00 H new ATOM 0 HE22 GLN A 103 10.006 -4.948 4.675 1.00 0.00 H new ATOM 1606 N VAL A 104 5.958 -0.523 4.636 1.00 0.00 N ATOM 1607 CA VAL A 104 5.233 0.717 4.883 1.00 0.00 C ATOM 1608 C VAL A 104 5.880 1.886 4.148 1.00 0.00 C ATOM 1609 O VAL A 104 7.079 2.131 4.283 1.00 0.00 O ATOM 1610 CB VAL A 104 5.171 1.041 6.387 1.00 0.00 C ATOM 1611 CG1 VAL A 104 4.363 2.307 6.627 1.00 0.00 C ATOM 1612 CG2 VAL A 104 4.584 -0.130 7.160 1.00 0.00 C ATOM 0 H VAL A 104 6.490 -0.867 5.436 1.00 0.00 H new ATOM 0 HA VAL A 104 4.220 0.572 4.509 1.00 0.00 H new ATOM 0 HB VAL A 104 6.186 1.212 6.747 1.00 0.00 H new ATOM 0 HG11 VAL A 104 4.330 2.520 7.695 1.00 0.00 H new ATOM 0 HG12 VAL A 104 4.831 3.142 6.105 1.00 0.00 H new ATOM 0 HG13 VAL A 104 3.349 2.168 6.253 1.00 0.00 H new ATOM 0 HG21 VAL A 104 4.548 0.116 8.221 1.00 0.00 H new ATOM 0 HG22 VAL A 104 3.576 -0.335 6.800 1.00 0.00 H new ATOM 0 HG23 VAL A 104 5.208 -1.012 7.013 1.00 0.00 H new ATOM 1622 N TYR A 105 5.078 2.606 3.373 1.00 0.00 N ATOM 1623 CA TYR A 105 5.572 3.750 2.614 1.00 0.00 C ATOM 1624 C TYR A 105 4.574 4.903 2.656 1.00 0.00 C ATOM 1625 O TYR A 105 3.423 4.759 2.246 1.00 0.00 O ATOM 1626 CB TYR A 105 5.844 3.348 1.164 1.00 0.00 C ATOM 1627 CG TYR A 105 7.251 2.845 0.929 1.00 0.00 C ATOM 1628 CD1 TYR A 105 8.288 3.726 0.650 1.00 0.00 C ATOM 1629 CD2 TYR A 105 7.542 1.487 0.986 1.00 0.00 C ATOM 1630 CE1 TYR A 105 9.574 3.271 0.434 1.00 0.00 C ATOM 1631 CE2 TYR A 105 8.826 1.023 0.773 1.00 0.00 C ATOM 1632 CZ TYR A 105 9.838 1.918 0.497 1.00 0.00 C ATOM 1633 OH TYR A 105 11.118 1.461 0.284 1.00 0.00 O ATOM 0 H TYR A 105 4.083 2.419 3.253 1.00 0.00 H new ATOM 0 HA TYR A 105 6.503 4.083 3.072 1.00 0.00 H new ATOM 0 HB2 TYR A 105 5.136 2.572 0.872 1.00 0.00 H new ATOM 0 HB3 TYR A 105 5.661 4.206 0.517 1.00 0.00 H new ATOM 0 HD1 TYR A 105 8.085 4.786 0.601 1.00 0.00 H new ATOM 0 HD2 TYR A 105 6.752 0.783 1.200 1.00 0.00 H new ATOM 0 HE1 TYR A 105 10.368 3.970 0.217 1.00 0.00 H new ATOM 0 HE2 TYR A 105 9.036 -0.035 0.822 1.00 0.00 H new ATOM 0 HH TYR A 105 11.134 0.484 0.365 1.00 0.00 H new ATOM 1643 N GLY A 106 5.026 6.050 3.154 1.00 0.00 N ATOM 1644 CA GLY A 106 4.161 7.213 3.240 1.00 0.00 C ATOM 1645 C GLY A 106 4.349 8.162 2.074 1.00 0.00 C ATOM 1646 O GLY A 106 5.472 8.384 1.617 1.00 0.00 O ATOM 0 H GLY A 106 5.975 6.195 3.499 1.00 0.00 H new ATOM 0 HA2 GLY A 106 3.121 6.887 3.275 1.00 0.00 H new ATOM 0 HA3 GLY A 106 4.361 7.743 4.171 1.00 0.00 H new ATOM 1650 N LEU A 107 3.248 8.724 1.587 1.00 0.00 N ATOM 1651 CA LEU A 107 3.295 9.654 0.464 1.00 0.00 C ATOM 1652 C LEU A 107 2.094 10.593 0.484 1.00 0.00 C ATOM 1653 O LEU A 107 0.948 10.152 0.403 1.00 0.00 O ATOM 1654 CB LEU A 107 3.336 8.886 -0.859 1.00 0.00 C ATOM 1655 CG LEU A 107 3.644 9.715 -2.107 1.00 0.00 C ATOM 1656 CD1 LEU A 107 2.553 10.747 -2.345 1.00 0.00 C ATOM 1657 CD2 LEU A 107 5.001 10.391 -1.976 1.00 0.00 C ATOM 0 H LEU A 107 2.311 8.552 1.952 1.00 0.00 H new ATOM 0 HA LEU A 107 4.201 10.252 0.557 1.00 0.00 H new ATOM 0 HB2 LEU A 107 4.085 8.099 -0.776 1.00 0.00 H new ATOM 0 HB3 LEU A 107 2.373 8.396 -1.001 1.00 0.00 H new ATOM 0 HG LEU A 107 3.675 9.045 -2.966 1.00 0.00 H new ATOM 0 HD11 LEU A 107 2.789 11.327 -3.237 1.00 0.00 H new ATOM 0 HD12 LEU A 107 1.598 10.241 -2.484 1.00 0.00 H new ATOM 0 HD13 LEU A 107 2.489 11.414 -1.485 1.00 0.00 H new ATOM 0 HD21 LEU A 107 5.204 10.977 -2.873 1.00 0.00 H new ATOM 0 HD22 LEU A 107 4.998 11.048 -1.106 1.00 0.00 H new ATOM 0 HD23 LEU A 107 5.775 9.633 -1.855 1.00 0.00 H new ATOM 1669 N ALA A 108 2.365 11.890 0.589 1.00 0.00 N ATOM 1670 CA ALA A 108 1.307 12.892 0.615 1.00 0.00 C ATOM 1671 C ALA A 108 1.533 13.957 -0.453 1.00 0.00 C ATOM 1672 O ALA A 108 2.659 14.170 -0.903 1.00 0.00 O ATOM 1673 CB ALA A 108 1.220 13.533 1.992 1.00 0.00 C ATOM 0 H ALA A 108 3.309 12.271 0.657 1.00 0.00 H new ATOM 0 HA ALA A 108 0.363 12.392 0.399 1.00 0.00 H new ATOM 0 HB1 ALA A 108 0.426 14.279 1.996 1.00 0.00 H new ATOM 0 HB2 ALA A 108 1.003 12.767 2.737 1.00 0.00 H new ATOM 0 HB3 ALA A 108 2.169 14.012 2.231 1.00 0.00 H new ATOM 1679 N LEU A 109 0.456 14.623 -0.855 1.00 0.00 N ATOM 1680 CA LEU A 109 0.536 15.666 -1.871 1.00 0.00 C ATOM 1681 C LEU A 109 0.753 17.034 -1.231 1.00 0.00 C ATOM 1682 O LEU A 109 0.017 17.430 -0.328 1.00 0.00 O ATOM 1683 CB LEU A 109 -0.738 15.683 -2.717 1.00 0.00 C ATOM 1684 CG LEU A 109 -0.828 14.623 -3.816 1.00 0.00 C ATOM 1685 CD1 LEU A 109 -2.156 14.727 -4.550 1.00 0.00 C ATOM 1686 CD2 LEU A 109 0.334 14.763 -4.788 1.00 0.00 C ATOM 0 H LEU A 109 -0.483 14.459 -0.493 1.00 0.00 H new ATOM 0 HA LEU A 109 1.388 15.446 -2.514 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -1.593 15.562 -2.052 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -0.830 16.666 -3.179 1.00 0.00 H new ATOM 0 HG LEU A 109 -0.770 13.639 -3.351 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -2.202 13.965 -5.328 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -2.974 14.576 -3.845 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -2.245 15.714 -5.003 1.00 0.00 H new ATOM 0 HD21 LEU A 109 0.254 14.001 -5.563 1.00 0.00 H new ATOM 0 HD22 LEU A 109 0.308 15.751 -5.247 1.00 0.00 H new ATOM 0 HD23 LEU A 109 1.274 14.637 -4.251 1.00 0.00 H new ATOM 1698 N GLU A 110 1.765 17.751 -1.708 1.00 0.00 N ATOM 1699 CA GLU A 110 2.077 19.075 -1.183 1.00 0.00 C ATOM 1700 C GLU A 110 1.039 20.099 -1.634 1.00 0.00 C ATOM 1701 O GLU A 110 0.343 20.697 -0.815 1.00 0.00 O ATOM 1702 CB GLU A 110 3.471 19.513 -1.637 1.00 0.00 C ATOM 1703 CG GLU A 110 3.790 20.963 -1.312 1.00 0.00 C ATOM 1704 CD GLU A 110 3.511 21.311 0.137 1.00 0.00 C ATOM 1705 OE1 GLU A 110 2.326 21.497 0.486 1.00 0.00 O ATOM 1706 OE2 GLU A 110 4.477 21.398 0.923 1.00 0.00 O ATOM 0 H GLU A 110 2.383 17.438 -2.457 1.00 0.00 H new ATOM 0 HA GLU A 110 2.058 19.019 -0.095 1.00 0.00 H new ATOM 0 HB2 GLU A 110 4.216 18.872 -1.165 1.00 0.00 H new ATOM 0 HB3 GLU A 110 3.557 19.363 -2.713 1.00 0.00 H new ATOM 0 HG2 GLU A 110 4.839 21.159 -1.533 1.00 0.00 H new ATOM 0 HG3 GLU A 110 3.201 21.614 -1.958 1.00 0.00 H new ATOM 1751 N PRO A 114 -4.932 17.921 -7.557 1.00 0.00 N ATOM 1752 CA PRO A 114 -5.746 16.935 -6.843 1.00 0.00 C ATOM 1753 C PRO A 114 -6.023 15.693 -7.684 1.00 0.00 C ATOM 1754 O PRO A 114 -5.693 15.647 -8.869 1.00 0.00 O ATOM 1755 CB PRO A 114 -7.048 17.688 -6.557 1.00 0.00 C ATOM 1756 CG PRO A 114 -7.122 18.731 -7.618 1.00 0.00 C ATOM 1757 CD PRO A 114 -5.701 19.127 -7.910 1.00 0.00 C ATOM 0 HA PRO A 114 -5.246 16.566 -5.948 1.00 0.00 H new ATOM 0 HB2 PRO A 114 -7.909 17.020 -6.597 1.00 0.00 H new ATOM 0 HB3 PRO A 114 -7.037 18.135 -5.563 1.00 0.00 H new ATOM 0 HG2 PRO A 114 -7.611 18.344 -8.512 1.00 0.00 H new ATOM 0 HG3 PRO A 114 -7.705 19.589 -7.282 1.00 0.00 H new ATOM 0 HD2 PRO A 114 -5.566 19.397 -8.957 1.00 0.00 H new ATOM 0 HD3 PRO A 114 -5.394 19.988 -7.316 1.00 0.00 H new ATOM 1765 N VAL A 115 -6.633 14.688 -7.064 1.00 0.00 N ATOM 1766 CA VAL A 115 -6.956 13.446 -7.756 1.00 0.00 C ATOM 1767 C VAL A 115 -8.457 13.178 -7.735 1.00 0.00 C ATOM 1768 O VAL A 115 -8.896 12.059 -7.470 1.00 0.00 O ATOM 1769 CB VAL A 115 -6.222 12.245 -7.129 1.00 0.00 C ATOM 1770 CG1 VAL A 115 -6.540 12.141 -5.645 1.00 0.00 C ATOM 1771 CG2 VAL A 115 -6.590 10.959 -7.852 1.00 0.00 C ATOM 0 H VAL A 115 -6.913 14.710 -6.084 1.00 0.00 H new ATOM 0 HA VAL A 115 -6.626 13.565 -8.788 1.00 0.00 H new ATOM 0 HB VAL A 115 -5.149 12.401 -7.237 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -6.013 11.287 -5.219 1.00 0.00 H new ATOM 0 HG12 VAL A 115 -6.222 13.053 -5.140 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -7.614 12.008 -5.511 1.00 0.00 H new ATOM 0 HG21 VAL A 115 -6.062 10.121 -7.396 1.00 0.00 H new ATOM 0 HG22 VAL A 115 -7.665 10.795 -7.778 1.00 0.00 H new ATOM 0 HG23 VAL A 115 -6.307 11.038 -8.902 1.00 0.00 H new ATOM 1781 N THR A 116 -9.241 14.214 -8.015 1.00 0.00 N ATOM 1782 CA THR A 116 -10.693 14.092 -8.027 1.00 0.00 C ATOM 1783 C THR A 116 -11.150 13.056 -9.047 1.00 0.00 C ATOM 1784 O THR A 116 -12.338 12.749 -9.147 1.00 0.00 O ATOM 1785 CB THR A 116 -11.368 15.440 -8.344 1.00 0.00 C ATOM 1786 OG1 THR A 116 -12.591 15.221 -9.056 1.00 0.00 O ATOM 1787 CG2 THR A 116 -10.446 16.326 -9.170 1.00 0.00 C ATOM 0 H THR A 116 -8.894 15.147 -8.237 1.00 0.00 H new ATOM 0 HA THR A 116 -10.991 13.771 -7.029 1.00 0.00 H new ATOM 0 HB THR A 116 -11.582 15.944 -7.402 1.00 0.00 H new ATOM 0 HG1 THR A 116 -13.006 14.390 -8.745 1.00 0.00 H new ATOM 0 HG21 THR A 116 -10.944 17.272 -9.382 1.00 0.00 H new ATOM 0 HG22 THR A 116 -9.528 16.516 -8.613 1.00 0.00 H new ATOM 0 HG23 THR A 116 -10.204 15.826 -10.108 1.00 0.00 H new ATOM 1795 N THR A 117 -10.198 12.518 -9.803 1.00 0.00 N ATOM 1796 CA THR A 117 -10.502 11.515 -10.817 1.00 0.00 C ATOM 1797 C THR A 117 -9.959 10.148 -10.418 1.00 0.00 C ATOM 1798 O THR A 117 -8.749 9.923 -10.426 1.00 0.00 O ATOM 1799 CB THR A 117 -9.920 11.907 -12.187 1.00 0.00 C ATOM 1800 OG1 THR A 117 -10.185 13.289 -12.455 1.00 0.00 O ATOM 1801 CG2 THR A 117 -10.515 11.049 -13.293 1.00 0.00 C ATOM 0 H THR A 117 -9.210 12.760 -9.732 1.00 0.00 H new ATOM 0 HA THR A 117 -11.588 11.463 -10.894 1.00 0.00 H new ATOM 0 HB THR A 117 -8.843 11.742 -12.160 1.00 0.00 H new ATOM 0 HG1 THR A 117 -9.810 13.531 -13.328 1.00 0.00 H new ATOM 0 HG21 THR A 117 -10.089 11.344 -14.252 1.00 0.00 H new ATOM 0 HG22 THR A 117 -10.287 10.000 -13.102 1.00 0.00 H new ATOM 0 HG23 THR A 117 -11.596 11.187 -13.319 1.00 0.00 H new ATOM 1809 N VAL A 118 -10.861 9.236 -10.071 1.00 0.00 N ATOM 1810 CA VAL A 118 -10.472 7.889 -9.671 1.00 0.00 C ATOM 1811 C VAL A 118 -11.177 6.838 -10.520 1.00 0.00 C ATOM 1812 O VAL A 118 -12.373 6.928 -10.799 1.00 0.00 O ATOM 1813 CB VAL A 118 -10.790 7.630 -8.186 1.00 0.00 C ATOM 1814 CG1 VAL A 118 -12.293 7.655 -7.949 1.00 0.00 C ATOM 1815 CG2 VAL A 118 -10.193 6.305 -7.736 1.00 0.00 C ATOM 0 H VAL A 118 -11.867 9.405 -10.059 1.00 0.00 H new ATOM 0 HA VAL A 118 -9.395 7.813 -9.823 1.00 0.00 H new ATOM 0 HB VAL A 118 -10.339 8.425 -7.592 1.00 0.00 H new ATOM 0 HG11 VAL A 118 -12.498 7.470 -6.895 1.00 0.00 H new ATOM 0 HG12 VAL A 118 -12.690 8.631 -8.230 1.00 0.00 H new ATOM 0 HG13 VAL A 118 -12.769 6.882 -8.552 1.00 0.00 H new ATOM 0 HG21 VAL A 118 -10.428 6.139 -6.685 1.00 0.00 H new ATOM 0 HG22 VAL A 118 -10.612 5.495 -8.334 1.00 0.00 H new ATOM 0 HG23 VAL A 118 -9.111 6.330 -7.867 1.00 0.00 H new ATOM 1825 N PRO A 119 -10.420 5.815 -10.944 1.00 0.00 N ATOM 1826 CA PRO A 119 -10.951 4.725 -11.769 1.00 0.00 C ATOM 1827 C PRO A 119 -11.907 3.825 -10.993 1.00 0.00 C ATOM 1828 O PRO A 119 -11.998 3.886 -9.767 1.00 0.00 O ATOM 1829 CB PRO A 119 -9.698 3.947 -12.179 1.00 0.00 C ATOM 1830 CG PRO A 119 -8.704 4.238 -11.107 1.00 0.00 C ATOM 1831 CD PRO A 119 -8.987 5.643 -10.651 1.00 0.00 C ATOM 0 HA PRO A 119 -11.532 5.098 -12.612 1.00 0.00 H new ATOM 0 HB2 PRO A 119 -9.901 2.879 -12.251 1.00 0.00 H new ATOM 0 HB3 PRO A 119 -9.334 4.269 -13.155 1.00 0.00 H new ATOM 0 HG2 PRO A 119 -8.802 3.533 -10.282 1.00 0.00 H new ATOM 0 HG3 PRO A 119 -7.685 4.148 -11.484 1.00 0.00 H new ATOM 0 HD2 PRO A 119 -8.776 5.771 -9.589 1.00 0.00 H new ATOM 0 HD3 PRO A 119 -8.377 6.370 -11.187 1.00 0.00 H new ATOM 1839 N PRO A 120 -12.637 2.968 -11.723 1.00 0.00 N ATOM 1840 CA PRO A 120 -13.598 2.038 -11.124 1.00 0.00 C ATOM 1841 C PRO A 120 -12.915 0.932 -10.328 1.00 0.00 C ATOM 1842 O PRO A 120 -12.297 0.033 -10.898 1.00 0.00 O ATOM 1843 CB PRO A 120 -14.328 1.453 -12.335 1.00 0.00 C ATOM 1844 CG PRO A 120 -13.361 1.586 -13.461 1.00 0.00 C ATOM 1845 CD PRO A 120 -12.579 2.842 -13.189 1.00 0.00 C ATOM 0 HA PRO A 120 -14.257 2.535 -10.412 1.00 0.00 H new ATOM 0 HB2 PRO A 120 -14.600 0.411 -12.168 1.00 0.00 H new ATOM 0 HB3 PRO A 120 -15.251 1.994 -12.540 1.00 0.00 H new ATOM 0 HG2 PRO A 120 -12.702 0.720 -13.514 1.00 0.00 H new ATOM 0 HG3 PRO A 120 -13.881 1.649 -14.417 1.00 0.00 H new ATOM 0 HD2 PRO A 120 -11.552 2.761 -13.545 1.00 0.00 H new ATOM 0 HD3 PRO A 120 -13.021 3.706 -13.685 1.00 0.00 H new ATOM 1853 N GLY A 121 -13.031 1.002 -9.005 1.00 0.00 N ATOM 1854 CA GLY A 121 -12.419 0.000 -8.152 1.00 0.00 C ATOM 1855 C GLY A 121 -11.681 0.609 -6.977 1.00 0.00 C ATOM 1856 O GLY A 121 -11.317 -0.091 -6.033 1.00 0.00 O ATOM 0 H GLY A 121 -13.538 1.735 -8.509 1.00 0.00 H new ATOM 0 HA2 GLY A 121 -13.189 -0.676 -7.782 1.00 0.00 H new ATOM 0 HA3 GLY A 121 -11.725 -0.599 -8.741 1.00 0.00 H new ATOM 1860 N ALA A 122 -11.458 1.918 -7.036 1.00 0.00 N ATOM 1861 CA ALA A 122 -10.759 2.622 -5.969 1.00 0.00 C ATOM 1862 C ALA A 122 -11.705 3.542 -5.204 1.00 0.00 C ATOM 1863 O ALA A 122 -12.700 4.017 -5.752 1.00 0.00 O ATOM 1864 CB ALA A 122 -9.592 3.417 -6.536 1.00 0.00 C ATOM 0 H ALA A 122 -11.752 2.512 -7.812 1.00 0.00 H new ATOM 0 HA ALA A 122 -10.374 1.879 -5.271 1.00 0.00 H new ATOM 0 HB1 ALA A 122 -9.079 3.938 -5.727 1.00 0.00 H new ATOM 0 HB2 ALA A 122 -8.896 2.739 -7.030 1.00 0.00 H new ATOM 0 HB3 ALA A 122 -9.964 4.144 -7.258 1.00 0.00 H new ATOM 1870 N ARG A 123 -11.389 3.789 -3.938 1.00 0.00 N ATOM 1871 CA ARG A 123 -12.214 4.650 -3.098 1.00 0.00 C ATOM 1872 C ARG A 123 -11.349 5.630 -2.311 1.00 0.00 C ATOM 1873 O ARG A 123 -10.205 5.329 -1.970 1.00 0.00 O ATOM 1874 CB ARG A 123 -13.054 3.808 -2.137 1.00 0.00 C ATOM 1875 CG ARG A 123 -13.381 4.517 -0.833 1.00 0.00 C ATOM 1876 CD ARG A 123 -14.454 3.776 -0.049 1.00 0.00 C ATOM 1877 NE ARG A 123 -15.787 3.996 -0.604 1.00 0.00 N ATOM 1878 CZ ARG A 123 -16.432 5.154 -0.529 1.00 0.00 C ATOM 1879 NH1 ARG A 123 -15.870 6.192 0.076 1.00 0.00 N ATOM 1880 NH2 ARG A 123 -17.642 5.276 -1.058 1.00 0.00 N ATOM 0 H ARG A 123 -10.568 3.405 -3.470 1.00 0.00 H new ATOM 0 HA ARG A 123 -12.880 5.219 -3.747 1.00 0.00 H new ATOM 0 HB2 ARG A 123 -13.984 3.527 -2.631 1.00 0.00 H new ATOM 0 HB3 ARG A 123 -12.520 2.884 -1.915 1.00 0.00 H new ATOM 0 HG2 ARG A 123 -12.479 4.601 -0.227 1.00 0.00 H new ATOM 0 HG3 ARG A 123 -13.719 5.532 -1.044 1.00 0.00 H new ATOM 0 HD2 ARG A 123 -14.232 2.709 -0.051 1.00 0.00 H new ATOM 0 HD3 ARG A 123 -14.435 4.104 0.990 1.00 0.00 H new ATOM 0 HE ARG A 123 -16.248 3.217 -1.075 1.00 0.00 H new ATOM 0 HH11 ARG A 123 -14.940 6.102 0.485 1.00 0.00 H new ATOM 0 HH12 ARG A 123 -16.368 7.080 0.132 1.00 0.00 H new ATOM 0 HH21 ARG A 123 -18.078 4.480 -1.523 1.00 0.00 H new ATOM 0 HH22 ARG A 123 -18.137 6.166 -1.000 1.00 0.00 H new ATOM 1894 N TRP A 124 -11.904 6.802 -2.025 1.00 0.00 N ATOM 1895 CA TRP A 124 -11.184 7.827 -1.279 1.00 0.00 C ATOM 1896 C TRP A 124 -11.903 8.158 0.024 1.00 0.00 C ATOM 1897 O TRP A 124 -12.963 8.785 0.017 1.00 0.00 O ATOM 1898 CB TRP A 124 -11.029 9.091 -2.126 1.00 0.00 C ATOM 1899 CG TRP A 124 -9.844 9.051 -3.043 1.00 0.00 C ATOM 1900 CD1 TRP A 124 -9.808 8.557 -4.314 1.00 0.00 C ATOM 1901 CD2 TRP A 124 -8.522 9.522 -2.755 1.00 0.00 C ATOM 1902 NE1 TRP A 124 -8.545 8.692 -4.836 1.00 0.00 N ATOM 1903 CE2 TRP A 124 -7.738 9.282 -3.900 1.00 0.00 C ATOM 1904 CE3 TRP A 124 -7.926 10.125 -1.644 1.00 0.00 C ATOM 1905 CZ2 TRP A 124 -6.388 9.623 -3.962 1.00 0.00 C ATOM 1906 CZ3 TRP A 124 -6.588 10.462 -1.708 1.00 0.00 C ATOM 1907 CH2 TRP A 124 -5.832 10.211 -2.860 1.00 0.00 C ATOM 0 H TRP A 124 -12.851 7.066 -2.298 1.00 0.00 H new ATOM 0 HA TRP A 124 -10.195 7.437 -1.038 1.00 0.00 H new ATOM 0 HB2 TRP A 124 -11.933 9.236 -2.718 1.00 0.00 H new ATOM 0 HB3 TRP A 124 -10.939 9.953 -1.465 1.00 0.00 H new ATOM 0 HD1 TRP A 124 -10.650 8.123 -4.834 1.00 0.00 H new ATOM 0 HE1 TRP A 124 -8.255 8.400 -5.769 1.00 0.00 H new ATOM 0 HE3 TRP A 124 -8.501 10.324 -0.752 1.00 0.00 H new ATOM 0 HZ2 TRP A 124 -5.802 9.430 -4.849 1.00 0.00 H new ATOM 0 HZ3 TRP A 124 -6.117 10.927 -0.855 1.00 0.00 H new ATOM 0 HH2 TRP A 124 -4.788 10.488 -2.878 1.00 0.00 H new ATOM 1918 N LEU A 125 -11.321 7.733 1.140 1.00 0.00 N ATOM 1919 CA LEU A 125 -11.907 7.986 2.453 1.00 0.00 C ATOM 1920 C LEU A 125 -10.937 8.754 3.344 1.00 0.00 C ATOM 1921 O LEU A 125 -9.763 8.915 3.009 1.00 0.00 O ATOM 1922 CB LEU A 125 -12.298 6.667 3.121 1.00 0.00 C ATOM 1923 CG LEU A 125 -11.292 5.523 2.985 1.00 0.00 C ATOM 1924 CD1 LEU A 125 -10.100 5.748 3.902 1.00 0.00 C ATOM 1925 CD2 LEU A 125 -11.957 4.189 3.290 1.00 0.00 C ATOM 0 H LEU A 125 -10.444 7.212 1.163 1.00 0.00 H new ATOM 0 HA LEU A 125 -12.801 8.594 2.314 1.00 0.00 H new ATOM 0 HB2 LEU A 125 -12.463 6.855 4.182 1.00 0.00 H new ATOM 0 HB3 LEU A 125 -13.250 6.339 2.703 1.00 0.00 H new ATOM 0 HG LEU A 125 -10.933 5.501 1.956 1.00 0.00 H new ATOM 0 HD11 LEU A 125 -9.395 4.924 3.791 1.00 0.00 H new ATOM 0 HD12 LEU A 125 -9.608 6.684 3.637 1.00 0.00 H new ATOM 0 HD13 LEU A 125 -10.441 5.798 4.936 1.00 0.00 H new ATOM 0 HD21 LEU A 125 -11.226 3.387 3.188 1.00 0.00 H new ATOM 0 HD22 LEU A 125 -12.344 4.200 4.309 1.00 0.00 H new ATOM 0 HD23 LEU A 125 -12.777 4.023 2.592 1.00 0.00 H new ATOM 1937 N THR A 126 -11.434 9.223 4.485 1.00 0.00 N ATOM 1938 CA THR A 126 -10.611 9.973 5.425 1.00 0.00 C ATOM 1939 C THR A 126 -9.798 9.036 6.312 1.00 0.00 C ATOM 1940 O THR A 126 -10.041 7.830 6.342 1.00 0.00 O ATOM 1941 CB THR A 126 -11.470 10.888 6.318 1.00 0.00 C ATOM 1942 OG1 THR A 126 -12.107 10.117 7.343 1.00 0.00 O ATOM 1943 CG2 THR A 126 -12.524 11.612 5.494 1.00 0.00 C ATOM 0 H THR A 126 -12.402 9.096 4.780 1.00 0.00 H new ATOM 0 HA THR A 126 -9.934 10.588 4.832 1.00 0.00 H new ATOM 0 HB THR A 126 -10.815 11.629 6.776 1.00 0.00 H new ATOM 0 HG1 THR A 126 -12.959 10.536 7.585 1.00 0.00 H new ATOM 0 HG21 THR A 126 -13.119 12.252 6.146 1.00 0.00 H new ATOM 0 HG22 THR A 126 -12.036 12.221 4.733 1.00 0.00 H new ATOM 0 HG23 THR A 126 -13.174 10.882 5.012 1.00 0.00 H new ATOM 1951 N GLN A 127 -8.833 9.600 7.032 1.00 0.00 N ATOM 1952 CA GLN A 127 -7.985 8.812 7.919 1.00 0.00 C ATOM 1953 C GLN A 127 -8.807 8.175 9.034 1.00 0.00 C ATOM 1954 O GLN A 127 -8.518 7.062 9.471 1.00 0.00 O ATOM 1955 CB GLN A 127 -6.884 9.691 8.518 1.00 0.00 C ATOM 1956 CG GLN A 127 -6.054 10.422 7.476 1.00 0.00 C ATOM 1957 CD GLN A 127 -5.116 11.443 8.088 1.00 0.00 C ATOM 1958 OE1 GLN A 127 -4.036 11.100 8.570 1.00 0.00 O ATOM 1959 NE2 GLN A 127 -5.524 12.706 8.072 1.00 0.00 N ATOM 0 H GLN A 127 -8.619 10.597 7.019 1.00 0.00 H new ATOM 0 HA GLN A 127 -7.527 8.016 7.332 1.00 0.00 H new ATOM 0 HB2 GLN A 127 -7.338 10.422 9.187 1.00 0.00 H new ATOM 0 HB3 GLN A 127 -6.225 9.070 9.125 1.00 0.00 H new ATOM 0 HG2 GLN A 127 -5.473 9.697 6.906 1.00 0.00 H new ATOM 0 HG3 GLN A 127 -6.720 10.922 6.772 1.00 0.00 H new ATOM 0 HE21 GLN A 127 -6.427 12.945 7.662 1.00 0.00 H new ATOM 0 HE22 GLN A 127 -4.935 13.437 8.470 1.00 0.00 H new ATOM 1968 N GLU A 128 -9.832 8.889 9.490 1.00 0.00 N ATOM 1969 CA GLU A 128 -10.694 8.392 10.555 1.00 0.00 C ATOM 1970 C GLU A 128 -11.651 7.327 10.029 1.00 0.00 C ATOM 1971 O GLU A 128 -12.219 6.553 10.798 1.00 0.00 O ATOM 1972 CB GLU A 128 -11.487 9.542 11.178 1.00 0.00 C ATOM 1973 CG GLU A 128 -12.481 10.183 10.224 1.00 0.00 C ATOM 1974 CD GLU A 128 -13.472 11.086 10.933 1.00 0.00 C ATOM 1975 OE1 GLU A 128 -13.087 11.715 11.941 1.00 0.00 O ATOM 1976 OE2 GLU A 128 -14.633 11.162 10.480 1.00 0.00 O ATOM 0 H GLU A 128 -10.085 9.812 9.138 1.00 0.00 H new ATOM 0 HA GLU A 128 -10.060 7.941 11.319 1.00 0.00 H new ATOM 0 HB2 GLU A 128 -12.022 9.171 12.052 1.00 0.00 H new ATOM 0 HB3 GLU A 128 -10.791 10.303 11.530 1.00 0.00 H new ATOM 0 HG2 GLU A 128 -11.939 10.761 9.476 1.00 0.00 H new ATOM 0 HG3 GLU A 128 -13.024 9.402 9.692 1.00 0.00 H new ATOM 1983 N GLU A 129 -11.824 7.295 8.711 1.00 0.00 N ATOM 1984 CA GLU A 129 -12.714 6.326 8.081 1.00 0.00 C ATOM 1985 C GLU A 129 -12.020 4.975 7.920 1.00 0.00 C ATOM 1986 O GLU A 129 -12.571 3.935 8.280 1.00 0.00 O ATOM 1987 CB GLU A 129 -13.178 6.838 6.717 1.00 0.00 C ATOM 1988 CG GLU A 129 -14.435 7.691 6.784 1.00 0.00 C ATOM 1989 CD GLU A 129 -15.704 6.863 6.737 1.00 0.00 C ATOM 1990 OE1 GLU A 129 -16.190 6.462 7.816 1.00 0.00 O ATOM 1991 OE2 GLU A 129 -16.212 6.615 5.624 1.00 0.00 O ATOM 0 H GLU A 129 -11.360 7.928 8.059 1.00 0.00 H new ATOM 0 HA GLU A 129 -13.583 6.195 8.726 1.00 0.00 H new ATOM 0 HB2 GLU A 129 -12.376 7.422 6.265 1.00 0.00 H new ATOM 0 HB3 GLU A 129 -13.361 5.987 6.061 1.00 0.00 H new ATOM 0 HG2 GLU A 129 -14.423 8.278 7.702 1.00 0.00 H new ATOM 0 HG3 GLU A 129 -14.435 8.397 5.954 1.00 0.00 H new ATOM 1998 N PHE A 130 -10.808 5.001 7.376 1.00 0.00 N ATOM 1999 CA PHE A 130 -10.038 3.780 7.164 1.00 0.00 C ATOM 2000 C PHE A 130 -10.069 2.896 8.408 1.00 0.00 C ATOM 2001 O PHE A 130 -10.179 1.674 8.312 1.00 0.00 O ATOM 2002 CB PHE A 130 -8.591 4.119 6.802 1.00 0.00 C ATOM 2003 CG PHE A 130 -7.654 2.952 6.921 1.00 0.00 C ATOM 2004 CD1 PHE A 130 -7.060 2.645 8.134 1.00 0.00 C ATOM 2005 CD2 PHE A 130 -7.368 2.162 5.820 1.00 0.00 C ATOM 2006 CE1 PHE A 130 -6.196 1.571 8.247 1.00 0.00 C ATOM 2007 CE2 PHE A 130 -6.505 1.087 5.926 1.00 0.00 C ATOM 2008 CZ PHE A 130 -5.920 0.791 7.141 1.00 0.00 C ATOM 0 H PHE A 130 -10.337 5.854 7.074 1.00 0.00 H new ATOM 0 HA PHE A 130 -10.492 3.233 6.338 1.00 0.00 H new ATOM 0 HB2 PHE A 130 -8.560 4.497 5.780 1.00 0.00 H new ATOM 0 HB3 PHE A 130 -8.242 4.923 7.450 1.00 0.00 H new ATOM 0 HD1 PHE A 130 -7.274 3.251 9.002 1.00 0.00 H new ATOM 0 HD2 PHE A 130 -7.824 2.388 4.868 1.00 0.00 H new ATOM 0 HE1 PHE A 130 -5.738 1.343 9.198 1.00 0.00 H new ATOM 0 HE2 PHE A 130 -6.289 0.480 5.060 1.00 0.00 H new ATOM 0 HZ PHE A 130 -5.247 -0.050 7.227 1.00 0.00 H new ATOM 2018 N HIS A 131 -9.971 3.524 9.576 1.00 0.00 N ATOM 2019 CA HIS A 131 -9.987 2.795 10.839 1.00 0.00 C ATOM 2020 C HIS A 131 -11.275 1.991 10.986 1.00 0.00 C ATOM 2021 O HIS A 131 -11.256 0.846 11.440 1.00 0.00 O ATOM 2022 CB HIS A 131 -9.841 3.765 12.013 1.00 0.00 C ATOM 2023 CG HIS A 131 -8.426 4.174 12.279 1.00 0.00 C ATOM 2024 ND1 HIS A 131 -7.340 3.395 11.939 1.00 0.00 N ATOM 2025 CD2 HIS A 131 -7.920 5.290 12.856 1.00 0.00 C ATOM 2026 CE1 HIS A 131 -6.228 4.013 12.296 1.00 0.00 C ATOM 2027 NE2 HIS A 131 -6.552 5.165 12.855 1.00 0.00 N ATOM 0 H HIS A 131 -9.880 4.535 9.674 1.00 0.00 H new ATOM 0 HA HIS A 131 -9.145 2.103 10.842 1.00 0.00 H new ATOM 0 HB2 HIS A 131 -10.437 4.656 11.814 1.00 0.00 H new ATOM 0 HB3 HIS A 131 -10.251 3.301 12.910 1.00 0.00 H new ATOM 0 HD2 HIS A 131 -8.487 6.123 13.245 1.00 0.00 H new ATOM 0 HE1 HIS A 131 -5.225 3.640 12.155 1.00 0.00 H new ATOM 0 HE2 HIS A 131 -5.894 5.850 13.226 1.00 0.00 H new ATOM 2036 N THR A 132 -12.393 2.597 10.598 1.00 0.00 N ATOM 2037 CA THR A 132 -13.690 1.937 10.689 1.00 0.00 C ATOM 2038 C THR A 132 -13.948 1.064 9.466 1.00 0.00 C ATOM 2039 O THR A 132 -14.807 0.183 9.493 1.00 0.00 O ATOM 2040 CB THR A 132 -14.832 2.961 10.825 1.00 0.00 C ATOM 2041 OG1 THR A 132 -15.013 3.661 9.589 1.00 0.00 O ATOM 2042 CG2 THR A 132 -14.538 3.956 11.938 1.00 0.00 C ATOM 0 H THR A 132 -12.426 3.543 10.218 1.00 0.00 H new ATOM 0 HA THR A 132 -13.665 1.311 11.581 1.00 0.00 H new ATOM 0 HB THR A 132 -15.746 2.421 11.074 1.00 0.00 H new ATOM 0 HG1 THR A 132 -14.149 3.754 9.136 1.00 0.00 H new ATOM 0 HG21 THR A 132 -15.359 4.669 12.015 1.00 0.00 H new ATOM 0 HG22 THR A 132 -14.430 3.424 12.883 1.00 0.00 H new ATOM 0 HG23 THR A 132 -13.614 4.489 11.715 1.00 0.00 H new ATOM 2050 N ALA A 133 -13.200 1.313 8.397 1.00 0.00 N ATOM 2051 CA ALA A 133 -13.347 0.548 7.166 1.00 0.00 C ATOM 2052 C ALA A 133 -12.905 -0.899 7.363 1.00 0.00 C ATOM 2053 O ALA A 133 -12.327 -1.246 8.392 1.00 0.00 O ATOM 2054 CB ALA A 133 -12.553 1.197 6.042 1.00 0.00 C ATOM 0 H ALA A 133 -12.485 2.040 8.359 1.00 0.00 H new ATOM 0 HA ALA A 133 -14.402 0.544 6.894 1.00 0.00 H new ATOM 0 HB1 ALA A 133 -12.672 0.614 5.129 1.00 0.00 H new ATOM 0 HB2 ALA A 133 -12.919 2.210 5.876 1.00 0.00 H new ATOM 0 HB3 ALA A 133 -11.498 1.232 6.315 1.00 0.00 H new ATOM 2060 N ALA A 134 -13.181 -1.737 6.369 1.00 0.00 N ATOM 2061 CA ALA A 134 -12.810 -3.145 6.434 1.00 0.00 C ATOM 2062 C ALA A 134 -11.445 -3.383 5.796 1.00 0.00 C ATOM 2063 O ALA A 134 -11.332 -3.518 4.578 1.00 0.00 O ATOM 2064 CB ALA A 134 -13.868 -4.001 5.753 1.00 0.00 C ATOM 0 H ALA A 134 -13.660 -1.465 5.510 1.00 0.00 H new ATOM 0 HA ALA A 134 -12.747 -3.430 7.484 1.00 0.00 H new ATOM 0 HB1 ALA A 134 -13.578 -5.050 5.809 1.00 0.00 H new ATOM 0 HB2 ALA A 134 -14.826 -3.862 6.254 1.00 0.00 H new ATOM 0 HB3 ALA A 134 -13.958 -3.705 4.708 1.00 0.00 H new ATOM 2070 N VAL A 135 -10.410 -3.431 6.628 1.00 0.00 N ATOM 2071 CA VAL A 135 -9.051 -3.653 6.146 1.00 0.00 C ATOM 2072 C VAL A 135 -8.424 -4.873 6.812 1.00 0.00 C ATOM 2073 O VAL A 135 -8.806 -5.254 7.918 1.00 0.00 O ATOM 2074 CB VAL A 135 -8.158 -2.425 6.402 1.00 0.00 C ATOM 2075 CG1 VAL A 135 -7.076 -2.321 5.338 1.00 0.00 C ATOM 2076 CG2 VAL A 135 -8.996 -1.157 6.448 1.00 0.00 C ATOM 0 H VAL A 135 -10.486 -3.319 7.639 1.00 0.00 H new ATOM 0 HA VAL A 135 -9.120 -3.825 5.072 1.00 0.00 H new ATOM 0 HB VAL A 135 -7.672 -2.546 7.370 1.00 0.00 H new ATOM 0 HG11 VAL A 135 -6.455 -1.447 5.535 1.00 0.00 H new ATOM 0 HG12 VAL A 135 -6.458 -3.218 5.359 1.00 0.00 H new ATOM 0 HG13 VAL A 135 -7.539 -2.223 4.356 1.00 0.00 H new ATOM 0 HG21 VAL A 135 -8.348 -0.299 6.630 1.00 0.00 H new ATOM 0 HG22 VAL A 135 -9.512 -1.027 5.497 1.00 0.00 H new ATOM 0 HG23 VAL A 135 -9.729 -1.234 7.251 1.00 0.00 H new ATOM 2086 N SER A 136 -7.458 -5.480 6.131 1.00 0.00 N ATOM 2087 CA SER A 136 -6.778 -6.659 6.656 1.00 0.00 C ATOM 2088 C SER A 136 -5.744 -6.268 7.707 1.00 0.00 C ATOM 2089 O SER A 136 -5.017 -5.287 7.546 1.00 0.00 O ATOM 2090 CB SER A 136 -6.101 -7.431 5.521 1.00 0.00 C ATOM 2091 OG SER A 136 -5.271 -8.460 6.029 1.00 0.00 O ATOM 0 H SER A 136 -7.128 -5.176 5.215 1.00 0.00 H new ATOM 0 HA SER A 136 -7.525 -7.298 7.127 1.00 0.00 H new ATOM 0 HB2 SER A 136 -6.859 -7.861 4.866 1.00 0.00 H new ATOM 0 HB3 SER A 136 -5.507 -6.747 4.915 1.00 0.00 H new ATOM 0 HG SER A 136 -4.851 -8.939 5.284 1.00 0.00 H new ATOM 2097 N THR A 137 -5.685 -7.043 8.785 1.00 0.00 N ATOM 2098 CA THR A 137 -4.741 -6.779 9.865 1.00 0.00 C ATOM 2099 C THR A 137 -3.434 -6.210 9.326 1.00 0.00 C ATOM 2100 O THR A 137 -3.119 -5.040 9.544 1.00 0.00 O ATOM 2101 CB THR A 137 -4.439 -8.055 10.672 1.00 0.00 C ATOM 2102 OG1 THR A 137 -5.660 -8.656 11.116 1.00 0.00 O ATOM 2103 CG2 THR A 137 -3.557 -7.741 11.871 1.00 0.00 C ATOM 0 H THR A 137 -6.279 -7.858 8.934 1.00 0.00 H new ATOM 0 HA THR A 137 -5.209 -6.046 10.522 1.00 0.00 H new ATOM 0 HB THR A 137 -3.908 -8.751 10.022 1.00 0.00 H new ATOM 0 HG1 THR A 137 -5.458 -9.468 11.627 1.00 0.00 H new ATOM 0 HG21 THR A 137 -3.357 -8.658 12.426 1.00 0.00 H new ATOM 0 HG22 THR A 137 -2.616 -7.312 11.528 1.00 0.00 H new ATOM 0 HG23 THR A 137 -4.065 -7.028 12.520 1.00 0.00 H new ATOM 2111 N ALA A 138 -2.678 -7.044 8.621 1.00 0.00 N ATOM 2112 CA ALA A 138 -1.405 -6.622 8.049 1.00 0.00 C ATOM 2113 C ALA A 138 -1.464 -5.168 7.591 1.00 0.00 C ATOM 2114 O ALA A 138 -0.569 -4.378 7.889 1.00 0.00 O ATOM 2115 CB ALA A 138 -1.022 -7.528 6.887 1.00 0.00 C ATOM 0 H ALA A 138 -2.924 -8.016 8.432 1.00 0.00 H new ATOM 0 HA ALA A 138 -0.643 -6.701 8.824 1.00 0.00 H new ATOM 0 HB1 ALA A 138 -0.070 -7.201 6.470 1.00 0.00 H new ATOM 0 HB2 ALA A 138 -0.930 -8.555 7.241 1.00 0.00 H new ATOM 0 HB3 ALA A 138 -1.792 -7.478 6.117 1.00 0.00 H new ATOM 2121 N MET A 139 -2.522 -4.824 6.864 1.00 0.00 N ATOM 2122 CA MET A 139 -2.696 -3.465 6.365 1.00 0.00 C ATOM 2123 C MET A 139 -2.945 -2.492 7.514 1.00 0.00 C ATOM 2124 O MET A 139 -2.317 -1.436 7.595 1.00 0.00 O ATOM 2125 CB MET A 139 -3.859 -3.408 5.373 1.00 0.00 C ATOM 2126 CG MET A 139 -3.782 -4.468 4.285 1.00 0.00 C ATOM 2127 SD MET A 139 -2.174 -4.509 3.469 1.00 0.00 S ATOM 2128 CE MET A 139 -1.873 -2.760 3.225 1.00 0.00 C ATOM 0 H MET A 139 -3.271 -5.467 6.608 1.00 0.00 H new ATOM 0 HA MET A 139 -1.778 -3.172 5.855 1.00 0.00 H new ATOM 0 HB2 MET A 139 -4.796 -3.525 5.917 1.00 0.00 H new ATOM 0 HB3 MET A 139 -3.881 -2.422 4.908 1.00 0.00 H new ATOM 0 HG2 MET A 139 -3.990 -5.446 4.720 1.00 0.00 H new ATOM 0 HG3 MET A 139 -4.557 -4.278 3.543 1.00 0.00 H new ATOM 0 HE1 MET A 139 -1.236 -2.619 2.352 1.00 0.00 H new ATOM 0 HE2 MET A 139 -2.821 -2.246 3.069 1.00 0.00 H new ATOM 0 HE3 MET A 139 -1.378 -2.350 4.105 1.00 0.00 H new ATOM 2138 N LYS A 140 -3.865 -2.855 8.401 1.00 0.00 N ATOM 2139 CA LYS A 140 -4.198 -2.016 9.546 1.00 0.00 C ATOM 2140 C LYS A 140 -2.956 -1.718 10.382 1.00 0.00 C ATOM 2141 O LYS A 140 -2.945 -0.788 11.188 1.00 0.00 O ATOM 2142 CB LYS A 140 -5.258 -2.697 10.415 1.00 0.00 C ATOM 2143 CG LYS A 140 -6.601 -2.854 9.724 1.00 0.00 C ATOM 2144 CD LYS A 140 -7.741 -2.906 10.726 1.00 0.00 C ATOM 2145 CE LYS A 140 -8.287 -1.516 11.019 1.00 0.00 C ATOM 2146 NZ LYS A 140 -8.961 -1.454 12.346 1.00 0.00 N ATOM 0 H LYS A 140 -4.394 -3.726 8.349 1.00 0.00 H new ATOM 0 HA LYS A 140 -4.597 -1.074 9.169 1.00 0.00 H new ATOM 0 HB2 LYS A 140 -4.895 -3.681 10.713 1.00 0.00 H new ATOM 0 HB3 LYS A 140 -5.394 -2.118 11.328 1.00 0.00 H new ATOM 0 HG2 LYS A 140 -6.757 -2.022 9.037 1.00 0.00 H new ATOM 0 HG3 LYS A 140 -6.599 -3.765 9.126 1.00 0.00 H new ATOM 0 HD2 LYS A 140 -8.540 -3.538 10.338 1.00 0.00 H new ATOM 0 HD3 LYS A 140 -7.393 -3.364 11.652 1.00 0.00 H new ATOM 0 HE2 LYS A 140 -7.472 -0.792 10.991 1.00 0.00 H new ATOM 0 HE3 LYS A 140 -8.993 -1.231 10.239 1.00 0.00 H new ATOM 0 HZ1 LYS A 140 -9.740 -0.766 12.308 1.00 0.00 H new ATOM 0 HZ2 LYS A 140 -9.340 -2.392 12.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 140 -8.275 -1.161 13.071 1.00 0.00 H new ATOM 2160 N LYS A 141 -1.910 -2.514 10.182 1.00 0.00 N ATOM 2161 CA LYS A 141 -0.662 -2.335 10.914 1.00 0.00 C ATOM 2162 C LYS A 141 0.285 -1.412 10.155 1.00 0.00 C ATOM 2163 O LYS A 141 1.226 -0.864 10.730 1.00 0.00 O ATOM 2164 CB LYS A 141 0.011 -3.689 11.155 1.00 0.00 C ATOM 2165 CG LYS A 141 -0.865 -4.679 11.902 1.00 0.00 C ATOM 2166 CD LYS A 141 -0.371 -6.105 11.723 1.00 0.00 C ATOM 2167 CE LYS A 141 0.658 -6.474 12.780 1.00 0.00 C ATOM 2168 NZ LYS A 141 2.035 -6.074 12.377 1.00 0.00 N ATOM 0 H LYS A 141 -1.902 -3.289 9.519 1.00 0.00 H new ATOM 0 HA LYS A 141 -0.895 -1.877 11.875 1.00 0.00 H new ATOM 0 HB2 LYS A 141 0.295 -4.120 10.195 1.00 0.00 H new ATOM 0 HB3 LYS A 141 0.931 -3.533 11.719 1.00 0.00 H new ATOM 0 HG2 LYS A 141 -0.877 -4.428 12.963 1.00 0.00 H new ATOM 0 HG3 LYS A 141 -1.891 -4.601 11.544 1.00 0.00 H new ATOM 0 HD2 LYS A 141 -1.214 -6.793 11.779 1.00 0.00 H new ATOM 0 HD3 LYS A 141 0.068 -6.218 10.731 1.00 0.00 H new ATOM 0 HE2 LYS A 141 0.400 -5.990 13.722 1.00 0.00 H new ATOM 0 HE3 LYS A 141 0.629 -7.549 12.955 1.00 0.00 H new ATOM 0 HZ1 LYS A 141 2.711 -6.373 13.108 1.00 0.00 H new ATOM 0 HZ2 LYS A 141 2.278 -6.529 11.474 1.00 0.00 H new ATOM 0 HZ3 LYS A 141 2.078 -5.041 12.267 1.00 0.00 H new ATOM 2182 N VAL A 142 0.031 -1.243 8.862 1.00 0.00 N ATOM 2183 CA VAL A 142 0.860 -0.383 8.025 1.00 0.00 C ATOM 2184 C VAL A 142 0.546 1.089 8.268 1.00 0.00 C ATOM 2185 O VAL A 142 1.450 1.916 8.392 1.00 0.00 O ATOM 2186 CB VAL A 142 0.665 -0.698 6.530 1.00 0.00 C ATOM 2187 CG1 VAL A 142 1.416 0.307 5.670 1.00 0.00 C ATOM 2188 CG2 VAL A 142 1.116 -2.118 6.222 1.00 0.00 C ATOM 0 H VAL A 142 -0.743 -1.690 8.370 1.00 0.00 H new ATOM 0 HA VAL A 142 1.897 -0.580 8.298 1.00 0.00 H new ATOM 0 HB VAL A 142 -0.396 -0.619 6.295 1.00 0.00 H new ATOM 0 HG11 VAL A 142 1.266 0.068 4.617 1.00 0.00 H new ATOM 0 HG12 VAL A 142 1.041 1.310 5.871 1.00 0.00 H new ATOM 0 HG13 VAL A 142 2.480 0.263 5.904 1.00 0.00 H new ATOM 0 HG21 VAL A 142 0.971 -2.324 5.161 1.00 0.00 H new ATOM 0 HG22 VAL A 142 2.171 -2.227 6.472 1.00 0.00 H new ATOM 0 HG23 VAL A 142 0.529 -2.822 6.812 1.00 0.00 H new ATOM 2198 N PHE A 143 -0.742 1.410 8.338 1.00 0.00 N ATOM 2199 CA PHE A 143 -1.176 2.784 8.565 1.00 0.00 C ATOM 2200 C PHE A 143 -0.567 3.340 9.848 1.00 0.00 C ATOM 2201 O PHE A 143 0.085 4.386 9.836 1.00 0.00 O ATOM 2202 CB PHE A 143 -2.703 2.851 8.642 1.00 0.00 C ATOM 2203 CG PHE A 143 -3.219 4.167 9.150 1.00 0.00 C ATOM 2204 CD1 PHE A 143 -3.494 5.205 8.275 1.00 0.00 C ATOM 2205 CD2 PHE A 143 -3.429 4.366 10.506 1.00 0.00 C ATOM 2206 CE1 PHE A 143 -3.970 6.416 8.739 1.00 0.00 C ATOM 2207 CE2 PHE A 143 -3.905 5.575 10.976 1.00 0.00 C ATOM 2208 CZ PHE A 143 -4.175 6.601 10.092 1.00 0.00 C ATOM 0 H PHE A 143 -1.503 0.738 8.241 1.00 0.00 H new ATOM 0 HA PHE A 143 -0.833 3.391 7.727 1.00 0.00 H new ATOM 0 HB2 PHE A 143 -3.118 2.665 7.651 1.00 0.00 H new ATOM 0 HB3 PHE A 143 -3.062 2.053 9.293 1.00 0.00 H new ATOM 0 HD1 PHE A 143 -3.334 5.066 7.216 1.00 0.00 H new ATOM 0 HD2 PHE A 143 -3.218 3.568 11.202 1.00 0.00 H new ATOM 0 HE1 PHE A 143 -4.181 7.216 8.045 1.00 0.00 H new ATOM 0 HE2 PHE A 143 -4.066 5.718 12.034 1.00 0.00 H new ATOM 0 HZ PHE A 143 -4.546 7.547 10.458 1.00 0.00 H new ATOM 2218 N ARG A 144 -0.782 2.635 10.954 1.00 0.00 N ATOM 2219 CA ARG A 144 -0.256 3.059 12.246 1.00 0.00 C ATOM 2220 C ARG A 144 1.247 3.308 12.166 1.00 0.00 C ATOM 2221 O ARG A 144 1.772 4.215 12.813 1.00 0.00 O ATOM 2222 CB ARG A 144 -0.553 2.003 13.313 1.00 0.00 C ATOM 2223 CG ARG A 144 0.547 0.965 13.464 1.00 0.00 C ATOM 2224 CD ARG A 144 0.186 -0.079 14.509 1.00 0.00 C ATOM 2225 NE ARG A 144 0.515 0.363 15.861 1.00 0.00 N ATOM 2226 CZ ARG A 144 1.758 0.548 16.293 1.00 0.00 C ATOM 2227 NH1 ARG A 144 2.784 0.330 15.481 1.00 0.00 N ATOM 2228 NH2 ARG A 144 1.977 0.952 17.537 1.00 0.00 N ATOM 0 H ARG A 144 -1.317 1.767 10.981 1.00 0.00 H new ATOM 0 HA ARG A 144 -0.747 3.992 12.521 1.00 0.00 H new ATOM 0 HB2 ARG A 144 -0.706 2.500 14.271 1.00 0.00 H new ATOM 0 HB3 ARG A 144 -1.486 1.498 13.063 1.00 0.00 H new ATOM 0 HG2 ARG A 144 0.722 0.477 12.505 1.00 0.00 H new ATOM 0 HG3 ARG A 144 1.478 1.457 13.746 1.00 0.00 H new ATOM 0 HD2 ARG A 144 -0.880 -0.298 14.449 1.00 0.00 H new ATOM 0 HD3 ARG A 144 0.715 -1.007 14.292 1.00 0.00 H new ATOM 0 HE ARG A 144 -0.252 0.540 16.510 1.00 0.00 H new ATOM 0 HH11 ARG A 144 2.620 0.020 14.523 1.00 0.00 H new ATOM 0 HH12 ARG A 144 3.737 0.473 15.814 1.00 0.00 H new ATOM 0 HH21 ARG A 144 1.191 1.121 18.164 1.00 0.00 H new ATOM 0 HH22 ARG A 144 2.932 1.093 17.867 1.00 0.00 H new ATOM 2242 N VAL A 145 1.935 2.498 11.367 1.00 0.00 N ATOM 2243 CA VAL A 145 3.376 2.631 11.201 1.00 0.00 C ATOM 2244 C VAL A 145 3.724 3.862 10.372 1.00 0.00 C ATOM 2245 O VAL A 145 4.799 4.441 10.523 1.00 0.00 O ATOM 2246 CB VAL A 145 3.981 1.384 10.527 1.00 0.00 C ATOM 2247 CG1 VAL A 145 5.445 1.618 10.188 1.00 0.00 C ATOM 2248 CG2 VAL A 145 3.819 0.164 11.422 1.00 0.00 C ATOM 0 H VAL A 145 1.516 1.742 10.825 1.00 0.00 H new ATOM 0 HA VAL A 145 3.800 2.738 12.199 1.00 0.00 H new ATOM 0 HB VAL A 145 3.444 1.197 9.597 1.00 0.00 H new ATOM 0 HG11 VAL A 145 5.855 0.727 9.713 1.00 0.00 H new ATOM 0 HG12 VAL A 145 5.530 2.464 9.506 1.00 0.00 H new ATOM 0 HG13 VAL A 145 6.000 1.831 11.101 1.00 0.00 H new ATOM 0 HG21 VAL A 145 4.252 -0.708 10.931 1.00 0.00 H new ATOM 0 HG22 VAL A 145 4.330 0.337 12.369 1.00 0.00 H new ATOM 0 HG23 VAL A 145 2.760 -0.013 11.608 1.00 0.00 H new ATOM 2258 N TYR A 146 2.805 4.256 9.496 1.00 0.00 N ATOM 2259 CA TYR A 146 3.016 5.419 8.641 1.00 0.00 C ATOM 2260 C TYR A 146 2.770 6.713 9.411 1.00 0.00 C ATOM 2261 O TYR A 146 3.563 7.651 9.338 1.00 0.00 O ATOM 2262 CB TYR A 146 2.094 5.355 7.423 1.00 0.00 C ATOM 2263 CG TYR A 146 1.717 6.713 6.876 1.00 0.00 C ATOM 2264 CD1 TYR A 146 2.670 7.532 6.283 1.00 0.00 C ATOM 2265 CD2 TYR A 146 0.410 7.177 6.953 1.00 0.00 C ATOM 2266 CE1 TYR A 146 2.330 8.774 5.782 1.00 0.00 C ATOM 2267 CE2 TYR A 146 0.061 8.416 6.453 1.00 0.00 C ATOM 2268 CZ TYR A 146 1.026 9.212 5.869 1.00 0.00 C ATOM 2269 OH TYR A 146 0.682 10.448 5.371 1.00 0.00 O ATOM 0 H TYR A 146 1.909 3.788 9.360 1.00 0.00 H new ATOM 0 HA TYR A 146 4.053 5.409 8.305 1.00 0.00 H new ATOM 0 HB2 TYR A 146 2.583 4.779 6.637 1.00 0.00 H new ATOM 0 HB3 TYR A 146 1.186 4.817 7.694 1.00 0.00 H new ATOM 0 HD1 TYR A 146 3.693 7.192 6.213 1.00 0.00 H new ATOM 0 HD2 TYR A 146 -0.347 6.558 7.412 1.00 0.00 H new ATOM 0 HE1 TYR A 146 3.083 9.399 5.324 1.00 0.00 H new ATOM 0 HE2 TYR A 146 -0.961 8.760 6.518 1.00 0.00 H new ATOM 0 HH TYR A 146 -0.279 10.596 5.497 1.00 0.00 H new ATOM 2279 N GLN A 147 1.665 6.754 10.149 1.00 0.00 N ATOM 2280 CA GLN A 147 1.314 7.933 10.933 1.00 0.00 C ATOM 2281 C GLN A 147 2.475 8.359 11.825 1.00 0.00 C ATOM 2282 O GLN A 147 2.799 9.542 11.917 1.00 0.00 O ATOM 2283 CB GLN A 147 0.075 7.653 11.786 1.00 0.00 C ATOM 2284 CG GLN A 147 -1.226 7.697 11.002 1.00 0.00 C ATOM 2285 CD GLN A 147 -2.403 8.141 11.848 1.00 0.00 C ATOM 2286 OE1 GLN A 147 -2.816 7.442 12.774 1.00 0.00 O ATOM 2287 NE2 GLN A 147 -2.949 9.311 11.535 1.00 0.00 N ATOM 0 H GLN A 147 0.998 5.986 10.221 1.00 0.00 H new ATOM 0 HA GLN A 147 1.094 8.746 10.242 1.00 0.00 H new ATOM 0 HB2 GLN A 147 0.177 6.672 12.249 1.00 0.00 H new ATOM 0 HB3 GLN A 147 0.028 8.383 12.594 1.00 0.00 H new ATOM 0 HG2 GLN A 147 -1.114 8.377 10.157 1.00 0.00 H new ATOM 0 HG3 GLN A 147 -1.431 6.709 10.591 1.00 0.00 H new ATOM 0 HE21 GLN A 147 -2.574 9.857 10.759 1.00 0.00 H new ATOM 0 HE22 GLN A 147 -3.743 9.663 12.070 1.00 0.00 H new