USER MOD reduce.3.24.130724 H: found=0, std=0, add=978, rem=0, adj=30 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+ 137:sc= -0.129 (180deg=-1.14) USER MOD Set 1.2: A 101 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 93 HIS :FLIP no HE2:sc= 0.361 F(o=-3.3,f=0.26) USER MOD Set 2.2: A 141 LYS NZ :NH3+ 165:sc= -0.106 (180deg=0) USER MOD Set 3.1: A 28 GLN :FLIP amide:sc=-0.00948 F(o=-1.4,f=-0.57) USER MOD Set 3.2: A 35 GLN : amide:sc= -0.557 K(o=-0.57,f=-3.2!) USER MOD Set 4.1: A 23 THR OG1 : rot 46:sc= 0.646 USER MOD Set 4.2: A 139 MET CE :methyl -154:sc= -1.28 (180deg=-1.91) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= -0.0435 USER MOD Single : A 24 CYS SG : rot -170:sc= -1.55 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= -0.128 X(o=-0.13,f=-0.13) USER MOD Single : A 65 GLN : amide:sc= -8.04! C(o=-8!,f=-7.6!) USER MOD Single : A 67 LYS NZ :NH3+ 174:sc= -1.72 (180deg=-2) USER MOD Single : A 71 GLN : amide:sc= -0.63 K(o=-0.63,f=-4!) USER MOD Single : A 74 GLN :FLIP amide:sc= -0.638 F(o=-3.9!,f=-0.64) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 HIS : no HD1:sc= -0.03 X(o=-0.03,f=0) USER MOD Single : A 87 HIS : no HD1:sc= -1.31 K(o=-1.3,f=-2.9!) USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 97 HIS :FLIP no HD1:sc= -1.58 F(o=-3.2!,f=-1.6) USER MOD Single : A 102 TYR OH : rot 180:sc= 0 USER MOD Single : A 103 GLN : amide:sc= -0.107 X(o=-0.11,f=-0.11) USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD Single : A 116 THR OG1 : rot -18:sc= 0.533 USER MOD Single : A 117 THR OG1 : rot 77:sc= 1.2 USER MOD Single : A 126 THR OG1 : rot 180:sc= 0.0602 USER MOD Single : A 127 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 131 HIS : no HE2:sc= -0.896 K(o=-0.9,f=-2.5) USER MOD Single : A 132 THR OG1 : rot -22:sc= 0.632 USER MOD Single : A 136 SER OG : rot 180:sc= -0.948 USER MOD Single : A 137 THR OG1 : rot 180:sc= 0 USER MOD Single : A 140 LYS NZ :NH3+ -115:sc= 0.0188 (180deg=0) USER MOD Single : A 146 TYR OH : rot 180:sc= 0 USER MOD Single : A 147 GLN : amide:sc= -2.95 X(o=-3,f=-3.2) USER MOD ----------------------------------------------------------------- ATOM 207 N PRO A 16 2.661 -19.989 -0.733 1.00 0.00 N ATOM 208 CA PRO A 16 2.335 -18.655 -0.219 1.00 0.00 C ATOM 209 C PRO A 16 3.357 -18.160 0.798 1.00 0.00 C ATOM 210 O PRO A 16 3.523 -16.955 0.991 1.00 0.00 O ATOM 211 CB PRO A 16 0.972 -18.854 0.446 1.00 0.00 C ATOM 212 CG PRO A 16 0.934 -20.298 0.810 1.00 0.00 C ATOM 213 CD PRO A 16 1.718 -21.014 -0.256 1.00 0.00 C ATOM 0 HA PRO A 16 2.333 -17.904 -1.009 1.00 0.00 H new ATOM 0 HB2 PRO A 16 0.865 -18.221 1.327 1.00 0.00 H new ATOM 0 HB3 PRO A 16 0.159 -18.595 -0.233 1.00 0.00 H new ATOM 0 HG2 PRO A 16 1.372 -20.464 1.794 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -0.092 -20.663 0.852 1.00 0.00 H new ATOM 0 HD2 PRO A 16 2.239 -21.884 0.144 1.00 0.00 H new ATOM 0 HD3 PRO A 16 1.072 -21.370 -1.059 1.00 0.00 H new ATOM 221 N ARG A 17 4.042 -19.097 1.447 1.00 0.00 N ATOM 222 CA ARG A 17 5.047 -18.756 2.445 1.00 0.00 C ATOM 223 C ARG A 17 5.834 -17.518 2.023 1.00 0.00 C ATOM 224 O ARG A 17 5.785 -16.484 2.686 1.00 0.00 O ATOM 225 CB ARG A 17 6.001 -19.932 2.663 1.00 0.00 C ATOM 226 CG ARG A 17 5.297 -21.227 3.028 1.00 0.00 C ATOM 227 CD ARG A 17 6.169 -22.104 3.915 1.00 0.00 C ATOM 228 NE ARG A 17 5.503 -23.353 4.274 1.00 0.00 N ATOM 229 CZ ARG A 17 5.823 -24.077 5.340 1.00 0.00 C ATOM 230 NH1 ARG A 17 6.795 -23.677 6.148 1.00 0.00 N ATOM 231 NH2 ARG A 17 5.170 -25.202 5.601 1.00 0.00 N ATOM 0 H ARG A 17 3.918 -20.099 1.299 1.00 0.00 H new ATOM 0 HA ARG A 17 4.533 -18.537 3.381 1.00 0.00 H new ATOM 0 HB2 ARG A 17 6.584 -20.089 1.756 1.00 0.00 H new ATOM 0 HB3 ARG A 17 6.705 -19.676 3.454 1.00 0.00 H new ATOM 0 HG2 ARG A 17 4.363 -21.002 3.542 1.00 0.00 H new ATOM 0 HG3 ARG A 17 5.038 -21.770 2.119 1.00 0.00 H new ATOM 0 HD2 ARG A 17 7.103 -22.327 3.399 1.00 0.00 H new ATOM 0 HD3 ARG A 17 6.428 -21.558 4.822 1.00 0.00 H new ATOM 0 HE ARG A 17 4.750 -23.688 3.673 1.00 0.00 H new ATOM 0 HH11 ARG A 17 7.298 -22.812 5.951 1.00 0.00 H new ATOM 0 HH12 ARG A 17 7.040 -24.234 6.967 1.00 0.00 H new ATOM 0 HH21 ARG A 17 4.421 -25.512 4.982 1.00 0.00 H new ATOM 0 HH22 ARG A 17 5.417 -25.757 6.420 1.00 0.00 H new ATOM 245 N GLU A 18 6.561 -17.635 0.916 1.00 0.00 N ATOM 246 CA GLU A 18 7.361 -16.528 0.407 1.00 0.00 C ATOM 247 C GLU A 18 6.485 -15.524 -0.339 1.00 0.00 C ATOM 248 O GLU A 18 6.130 -15.736 -1.497 1.00 0.00 O ATOM 249 CB GLU A 18 8.462 -17.047 -0.519 1.00 0.00 C ATOM 250 CG GLU A 18 9.664 -17.611 0.221 1.00 0.00 C ATOM 251 CD GLU A 18 10.912 -17.648 -0.638 1.00 0.00 C ATOM 252 OE1 GLU A 18 11.126 -18.666 -1.329 1.00 0.00 O ATOM 253 OE2 GLU A 18 11.677 -16.660 -0.618 1.00 0.00 O ATOM 0 H GLU A 18 6.612 -18.485 0.355 1.00 0.00 H new ATOM 0 HA GLU A 18 7.821 -16.024 1.257 1.00 0.00 H new ATOM 0 HB2 GLU A 18 8.047 -17.821 -1.164 1.00 0.00 H new ATOM 0 HB3 GLU A 18 8.793 -16.235 -1.167 1.00 0.00 H new ATOM 0 HG2 GLU A 18 9.856 -17.008 1.108 1.00 0.00 H new ATOM 0 HG3 GLU A 18 9.434 -18.619 0.565 1.00 0.00 H new ATOM 260 N GLU A 19 6.143 -14.431 0.335 1.00 0.00 N ATOM 261 CA GLU A 19 5.309 -13.395 -0.263 1.00 0.00 C ATOM 262 C GLU A 19 5.698 -12.014 0.257 1.00 0.00 C ATOM 263 O GLU A 19 5.524 -11.711 1.437 1.00 0.00 O ATOM 264 CB GLU A 19 3.831 -13.664 0.033 1.00 0.00 C ATOM 265 CG GLU A 19 3.212 -14.719 -0.869 1.00 0.00 C ATOM 266 CD GLU A 19 1.801 -15.085 -0.455 1.00 0.00 C ATOM 267 OE1 GLU A 19 1.589 -15.374 0.741 1.00 0.00 O ATOM 268 OE2 GLU A 19 0.907 -15.082 -1.328 1.00 0.00 O ATOM 0 H GLU A 19 6.430 -14.240 1.295 1.00 0.00 H new ATOM 0 HA GLU A 19 5.467 -13.416 -1.341 1.00 0.00 H new ATOM 0 HB2 GLU A 19 3.729 -13.980 1.071 1.00 0.00 H new ATOM 0 HB3 GLU A 19 3.273 -12.734 -0.073 1.00 0.00 H new ATOM 0 HG2 GLU A 19 3.202 -14.353 -1.896 1.00 0.00 H new ATOM 0 HG3 GLU A 19 3.834 -15.614 -0.855 1.00 0.00 H new ATOM 275 N SER A 20 6.229 -11.182 -0.633 1.00 0.00 N ATOM 276 CA SER A 20 6.648 -9.834 -0.265 1.00 0.00 C ATOM 277 C SER A 20 5.947 -8.792 -1.129 1.00 0.00 C ATOM 278 O SER A 20 5.725 -9.005 -2.321 1.00 0.00 O ATOM 279 CB SER A 20 8.165 -9.694 -0.405 1.00 0.00 C ATOM 280 OG SER A 20 8.842 -10.642 0.400 1.00 0.00 O ATOM 0 H SER A 20 6.379 -11.417 -1.614 1.00 0.00 H new ATOM 0 HA SER A 20 6.369 -9.664 0.775 1.00 0.00 H new ATOM 0 HB2 SER A 20 8.451 -9.828 -1.448 1.00 0.00 H new ATOM 0 HB3 SER A 20 8.468 -8.687 -0.119 1.00 0.00 H new ATOM 0 HG SER A 20 9.810 -10.532 0.291 1.00 0.00 H new ATOM 286 N SER A 21 5.601 -7.662 -0.519 1.00 0.00 N ATOM 287 CA SER A 21 4.921 -6.586 -1.232 1.00 0.00 C ATOM 288 C SER A 21 5.270 -5.230 -0.627 1.00 0.00 C ATOM 289 O SER A 21 5.669 -5.139 0.533 1.00 0.00 O ATOM 290 CB SER A 21 3.406 -6.799 -1.195 1.00 0.00 C ATOM 291 OG SER A 21 3.056 -8.065 -1.728 1.00 0.00 O ATOM 0 H SER A 21 5.780 -7.468 0.466 1.00 0.00 H new ATOM 0 HA SER A 21 5.257 -6.600 -2.269 1.00 0.00 H new ATOM 0 HB2 SER A 21 3.050 -6.722 -0.168 1.00 0.00 H new ATOM 0 HB3 SER A 21 2.911 -6.012 -1.764 1.00 0.00 H new ATOM 0 HG SER A 21 2.083 -8.178 -1.692 1.00 0.00 H new ATOM 297 N ALA A 22 5.117 -4.177 -1.424 1.00 0.00 N ATOM 298 CA ALA A 22 5.414 -2.824 -0.969 1.00 0.00 C ATOM 299 C ALA A 22 4.201 -1.914 -1.125 1.00 0.00 C ATOM 300 O ALA A 22 3.836 -1.533 -2.239 1.00 0.00 O ATOM 301 CB ALA A 22 6.602 -2.260 -1.733 1.00 0.00 C ATOM 0 H ALA A 22 4.789 -4.235 -2.388 1.00 0.00 H new ATOM 0 HA ALA A 22 5.666 -2.870 0.090 1.00 0.00 H new ATOM 0 HB1 ALA A 22 6.813 -1.249 -1.383 1.00 0.00 H new ATOM 0 HB2 ALA A 22 7.475 -2.891 -1.566 1.00 0.00 H new ATOM 0 HB3 ALA A 22 6.371 -2.235 -2.798 1.00 0.00 H new ATOM 307 N THR A 23 3.577 -1.568 -0.004 1.00 0.00 N ATOM 308 CA THR A 23 2.404 -0.704 -0.017 1.00 0.00 C ATOM 309 C THR A 23 2.755 0.707 0.442 1.00 0.00 C ATOM 310 O THR A 23 3.637 0.896 1.280 1.00 0.00 O ATOM 311 CB THR A 23 1.286 -1.260 0.886 1.00 0.00 C ATOM 312 OG1 THR A 23 0.133 -0.414 0.815 1.00 0.00 O ATOM 313 CG2 THR A 23 1.757 -1.367 2.328 1.00 0.00 C ATOM 0 H THR A 23 3.865 -1.873 0.926 1.00 0.00 H new ATOM 0 HA THR A 23 2.048 -0.671 -1.047 1.00 0.00 H new ATOM 0 HB THR A 23 1.026 -2.258 0.532 1.00 0.00 H new ATOM 0 HG1 THR A 23 -0.053 -0.192 -0.121 1.00 0.00 H new ATOM 0 HG21 THR A 23 0.950 -1.762 2.946 1.00 0.00 H new ATOM 0 HG22 THR A 23 2.616 -2.036 2.382 1.00 0.00 H new ATOM 0 HG23 THR A 23 2.043 -0.380 2.692 1.00 0.00 H new ATOM 321 N CYS A 24 2.061 1.694 -0.113 1.00 0.00 N ATOM 322 CA CYS A 24 2.300 3.090 0.238 1.00 0.00 C ATOM 323 C CYS A 24 0.989 3.802 0.558 1.00 0.00 C ATOM 324 O CYS A 24 -0.072 3.420 0.066 1.00 0.00 O ATOM 325 CB CYS A 24 3.020 3.809 -0.902 1.00 0.00 C ATOM 326 SG CYS A 24 3.452 5.526 -0.537 1.00 0.00 S ATOM 0 H CYS A 24 1.328 1.554 -0.808 1.00 0.00 H new ATOM 0 HA CYS A 24 2.931 3.112 1.126 1.00 0.00 H new ATOM 0 HB2 CYS A 24 3.930 3.261 -1.145 1.00 0.00 H new ATOM 0 HB3 CYS A 24 2.387 3.786 -1.789 1.00 0.00 H new ATOM 0 HG CYS A 24 3.864 6.110 -1.623 1.00 0.00 H new ATOM 332 N VAL A 25 1.072 4.838 1.386 1.00 0.00 N ATOM 333 CA VAL A 25 -0.106 5.604 1.773 1.00 0.00 C ATOM 334 C VAL A 25 -0.193 6.910 0.991 1.00 0.00 C ATOM 335 O VAL A 25 0.749 7.704 0.980 1.00 0.00 O ATOM 336 CB VAL A 25 -0.103 5.919 3.280 1.00 0.00 C ATOM 337 CG1 VAL A 25 -1.319 6.752 3.655 1.00 0.00 C ATOM 338 CG2 VAL A 25 -0.055 4.634 4.092 1.00 0.00 C ATOM 0 H VAL A 25 1.944 5.166 1.802 1.00 0.00 H new ATOM 0 HA VAL A 25 -0.974 4.987 1.542 1.00 0.00 H new ATOM 0 HB VAL A 25 0.790 6.501 3.510 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -1.299 6.964 4.724 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -1.304 7.689 3.099 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -2.227 6.200 3.412 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -0.053 4.875 5.155 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -0.928 4.024 3.860 1.00 0.00 H new ATOM 0 HG23 VAL A 25 0.851 4.081 3.844 1.00 0.00 H new ATOM 348 N LEU A 26 -1.329 7.129 0.339 1.00 0.00 N ATOM 349 CA LEU A 26 -1.540 8.341 -0.445 1.00 0.00 C ATOM 350 C LEU A 26 -2.520 9.278 0.254 1.00 0.00 C ATOM 351 O LEU A 26 -3.723 9.023 0.285 1.00 0.00 O ATOM 352 CB LEU A 26 -2.062 7.986 -1.838 1.00 0.00 C ATOM 353 CG LEU A 26 -2.239 9.156 -2.807 1.00 0.00 C ATOM 354 CD1 LEU A 26 -0.893 9.781 -3.140 1.00 0.00 C ATOM 355 CD2 LEU A 26 -2.943 8.696 -4.075 1.00 0.00 C ATOM 0 H LEU A 26 -2.119 6.483 0.337 1.00 0.00 H new ATOM 0 HA LEU A 26 -0.583 8.853 -0.542 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -1.377 7.268 -2.289 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -3.023 7.484 -1.727 1.00 0.00 H new ATOM 0 HG LEU A 26 -2.859 9.912 -2.325 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -1.038 10.612 -3.831 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -0.425 10.147 -2.226 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -0.249 9.033 -3.603 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -3.061 9.541 -4.753 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -2.349 7.921 -4.560 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -3.924 8.295 -3.821 1.00 0.00 H new ATOM 367 N GLU A 27 -1.996 10.366 0.811 1.00 0.00 N ATOM 368 CA GLU A 27 -2.826 11.341 1.508 1.00 0.00 C ATOM 369 C GLU A 27 -2.755 12.704 0.825 1.00 0.00 C ATOM 370 O GLU A 27 -1.704 13.102 0.323 1.00 0.00 O ATOM 371 CB GLU A 27 -2.385 11.468 2.969 1.00 0.00 C ATOM 372 CG GLU A 27 -3.085 12.587 3.720 1.00 0.00 C ATOM 373 CD GLU A 27 -4.365 12.130 4.392 1.00 0.00 C ATOM 374 OE1 GLU A 27 -4.276 11.454 5.439 1.00 0.00 O ATOM 375 OE2 GLU A 27 -5.454 12.444 3.870 1.00 0.00 O ATOM 0 H GLU A 27 -1.002 10.594 0.793 1.00 0.00 H new ATOM 0 HA GLU A 27 -3.858 10.990 1.476 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -2.575 10.524 3.480 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -1.309 11.638 3.002 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -2.409 12.992 4.473 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -3.313 13.397 3.027 1.00 0.00 H new ATOM 382 N GLN A 28 -3.879 13.411 0.810 1.00 0.00 N ATOM 383 CA GLN A 28 -3.944 14.728 0.187 1.00 0.00 C ATOM 384 C GLN A 28 -4.971 15.612 0.888 1.00 0.00 C ATOM 385 O GLN A 28 -6.043 15.160 1.290 1.00 0.00 O ATOM 386 CB GLN A 28 -4.295 14.596 -1.297 1.00 0.00 C ATOM 387 CG GLN A 28 -5.668 13.993 -1.546 1.00 0.00 C ATOM 388 CD GLN A 28 -6.289 14.470 -2.843 1.00 0.00 C ATOM 389 OE1 GLN A 28 -5.562 14.308 -3.943 1.00 0.00 O flip ATOM 390 NE2 GLN A 28 -7.410 14.980 -2.858 1.00 0.00 N flip ATOM 0 H GLN A 28 -4.757 13.095 1.222 1.00 0.00 H new ATOM 0 HA GLN A 28 -2.964 15.196 0.282 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -4.250 15.581 -1.761 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -3.542 13.978 -1.786 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -5.585 12.906 -1.566 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -6.328 14.247 -0.717 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -7.934 15.085 -1.989 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -7.814 15.297 -3.739 1.00 0.00 H new ATOM 399 N PRO A 29 -4.636 16.902 1.039 1.00 0.00 N ATOM 400 CA PRO A 29 -5.516 17.876 1.693 1.00 0.00 C ATOM 401 C PRO A 29 -6.750 18.193 0.857 1.00 0.00 C ATOM 402 O PRO A 29 -6.652 18.458 -0.340 1.00 0.00 O ATOM 403 CB PRO A 29 -4.630 19.117 1.829 1.00 0.00 C ATOM 404 CG PRO A 29 -3.620 18.984 0.743 1.00 0.00 C ATOM 405 CD PRO A 29 -3.374 17.508 0.584 1.00 0.00 C ATOM 0 HA PRO A 29 -5.903 17.505 2.642 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -5.212 20.032 1.718 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -4.154 19.158 2.809 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -3.986 19.421 -0.186 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -2.699 19.508 1.000 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -3.153 17.247 -0.451 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -2.528 17.174 1.185 1.00 0.00 H new ATOM 413 N GLY A 30 -7.916 18.165 1.497 1.00 0.00 N ATOM 414 CA GLY A 30 -9.154 18.451 0.796 1.00 0.00 C ATOM 415 C GLY A 30 -9.735 19.800 1.173 1.00 0.00 C ATOM 416 O GLY A 30 -9.004 20.783 1.302 1.00 0.00 O ATOM 0 H GLY A 30 -8.025 17.949 2.488 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -8.974 18.424 -0.279 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -9.882 17.671 1.017 1.00 0.00 H new ATOM 420 N ALA A 31 -11.051 19.848 1.347 1.00 0.00 N ATOM 421 CA ALA A 31 -11.728 21.087 1.711 1.00 0.00 C ATOM 422 C ALA A 31 -11.701 21.305 3.220 1.00 0.00 C ATOM 423 O ALA A 31 -11.307 22.369 3.697 1.00 0.00 O ATOM 424 CB ALA A 31 -13.162 21.073 1.203 1.00 0.00 C ATOM 0 H ALA A 31 -11.670 19.044 1.242 1.00 0.00 H new ATOM 0 HA ALA A 31 -11.196 21.914 1.242 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -13.656 22.004 1.482 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -13.163 20.973 0.118 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -13.696 20.232 1.645 1.00 0.00 H new ATOM 430 N LEU A 32 -12.123 20.291 3.966 1.00 0.00 N ATOM 431 CA LEU A 32 -12.149 20.371 5.423 1.00 0.00 C ATOM 432 C LEU A 32 -10.757 20.143 6.005 1.00 0.00 C ATOM 433 O LEU A 32 -10.349 20.818 6.950 1.00 0.00 O ATOM 434 CB LEU A 32 -13.127 19.343 5.994 1.00 0.00 C ATOM 435 CG LEU A 32 -14.562 19.422 5.473 1.00 0.00 C ATOM 436 CD1 LEU A 32 -15.378 18.242 5.977 1.00 0.00 C ATOM 437 CD2 LEU A 32 -15.209 20.735 5.887 1.00 0.00 C ATOM 0 H LEU A 32 -12.452 19.403 3.587 1.00 0.00 H new ATOM 0 HA LEU A 32 -12.481 21.371 5.701 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -12.739 18.346 5.784 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -13.148 19.454 7.078 1.00 0.00 H new ATOM 0 HG LEU A 32 -14.535 19.381 4.384 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -16.397 18.315 5.596 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -14.926 17.313 5.630 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -15.397 18.251 7.067 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -16.230 20.773 5.507 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -15.224 20.806 6.975 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -14.638 21.568 5.476 1.00 0.00 H new ATOM 449 N GLY A 33 -10.030 19.189 5.432 1.00 0.00 N ATOM 450 CA GLY A 33 -8.691 18.891 5.905 1.00 0.00 C ATOM 451 C GLY A 33 -7.899 18.057 4.917 1.00 0.00 C ATOM 452 O GLY A 33 -7.258 18.595 4.015 1.00 0.00 O ATOM 0 H GLY A 33 -10.345 18.617 4.648 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -8.160 19.824 6.096 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -8.754 18.360 6.855 1.00 0.00 H new ATOM 456 N ALA A 34 -7.941 16.740 5.088 1.00 0.00 N ATOM 457 CA ALA A 34 -7.222 15.831 4.205 1.00 0.00 C ATOM 458 C ALA A 34 -7.854 14.443 4.212 1.00 0.00 C ATOM 459 O ALA A 34 -8.578 14.087 5.140 1.00 0.00 O ATOM 460 CB ALA A 34 -5.758 15.749 4.610 1.00 0.00 C ATOM 0 H ALA A 34 -8.466 16.279 5.831 1.00 0.00 H new ATOM 0 HA ALA A 34 -7.285 16.225 3.190 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -5.233 15.066 3.942 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -5.307 16.739 4.545 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -5.684 15.383 5.634 1.00 0.00 H new ATOM 466 N GLN A 35 -7.576 13.667 3.170 1.00 0.00 N ATOM 467 CA GLN A 35 -8.120 12.318 3.057 1.00 0.00 C ATOM 468 C GLN A 35 -7.174 11.414 2.274 1.00 0.00 C ATOM 469 O GLN A 35 -6.491 11.863 1.353 1.00 0.00 O ATOM 470 CB GLN A 35 -9.490 12.353 2.377 1.00 0.00 C ATOM 471 CG GLN A 35 -9.463 12.967 0.986 1.00 0.00 C ATOM 472 CD GLN A 35 -9.741 14.457 1.000 1.00 0.00 C ATOM 473 OE1 GLN A 35 -9.012 15.242 0.393 1.00 0.00 O ATOM 474 NE2 GLN A 35 -10.798 14.856 1.697 1.00 0.00 N ATOM 0 H GLN A 35 -6.978 13.948 2.393 1.00 0.00 H new ATOM 0 HA GLN A 35 -8.232 11.913 4.063 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -9.879 11.337 2.309 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -10.182 12.918 3.001 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -8.488 12.787 0.533 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -10.203 12.469 0.359 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -11.375 14.171 2.185 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -11.033 15.847 1.744 1.00 0.00 H new ATOM 483 N ILE A 36 -7.138 10.138 2.647 1.00 0.00 N ATOM 484 CA ILE A 36 -6.276 9.171 1.979 1.00 0.00 C ATOM 485 C ILE A 36 -7.055 8.362 0.948 1.00 0.00 C ATOM 486 O ILE A 36 -8.268 8.517 0.806 1.00 0.00 O ATOM 487 CB ILE A 36 -5.625 8.208 2.987 1.00 0.00 C ATOM 488 CG1 ILE A 36 -6.614 7.852 4.099 1.00 0.00 C ATOM 489 CG2 ILE A 36 -4.363 8.825 3.572 1.00 0.00 C ATOM 490 CD1 ILE A 36 -6.101 6.793 5.050 1.00 0.00 C ATOM 0 H ILE A 36 -7.696 9.751 3.408 1.00 0.00 H new ATOM 0 HA ILE A 36 -5.494 9.739 1.475 1.00 0.00 H new ATOM 0 HB ILE A 36 -5.350 7.292 2.464 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -6.851 8.753 4.665 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -7.544 7.505 3.649 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -3.915 8.131 4.283 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -3.654 9.032 2.770 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -4.615 9.755 4.082 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -6.855 6.592 5.811 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -5.891 5.878 4.496 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -5.187 7.145 5.528 1.00 0.00 H new ATOM 502 N LEU A 37 -6.350 7.494 0.231 1.00 0.00 N ATOM 503 CA LEU A 37 -6.974 6.655 -0.787 1.00 0.00 C ATOM 504 C LEU A 37 -7.015 5.197 -0.341 1.00 0.00 C ATOM 505 O LEU A 37 -6.125 4.728 0.370 1.00 0.00 O ATOM 506 CB LEU A 37 -6.216 6.775 -2.110 1.00 0.00 C ATOM 507 CG LEU A 37 -6.500 5.689 -3.147 1.00 0.00 C ATOM 508 CD1 LEU A 37 -7.830 5.946 -3.839 1.00 0.00 C ATOM 509 CD2 LEU A 37 -5.373 5.615 -4.166 1.00 0.00 C ATOM 0 H LEU A 37 -5.345 7.352 0.336 1.00 0.00 H new ATOM 0 HA LEU A 37 -7.998 7.001 -0.930 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -6.450 7.743 -2.553 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -5.147 6.773 -1.895 1.00 0.00 H new ATOM 0 HG LEU A 37 -6.560 4.730 -2.632 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -8.015 5.163 -4.574 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -8.631 5.946 -3.100 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -7.798 6.913 -4.340 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -5.593 4.836 -4.896 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -5.280 6.574 -4.676 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -4.437 5.382 -3.658 1.00 0.00 H new ATOM 521 N LEU A 38 -8.052 4.483 -0.765 1.00 0.00 N ATOM 522 CA LEU A 38 -8.208 3.077 -0.412 1.00 0.00 C ATOM 523 C LEU A 38 -8.784 2.283 -1.581 1.00 0.00 C ATOM 524 O LEU A 38 -9.866 2.589 -2.080 1.00 0.00 O ATOM 525 CB LEU A 38 -9.115 2.935 0.812 1.00 0.00 C ATOM 526 CG LEU A 38 -8.831 1.741 1.723 1.00 0.00 C ATOM 527 CD1 LEU A 38 -7.380 1.748 2.175 1.00 0.00 C ATOM 528 CD2 LEU A 38 -9.767 1.752 2.923 1.00 0.00 C ATOM 0 H LEU A 38 -8.797 4.855 -1.354 1.00 0.00 H new ATOM 0 HA LEU A 38 -7.223 2.676 -0.174 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -9.036 3.846 1.405 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -10.147 2.867 0.468 1.00 0.00 H new ATOM 0 HG LEU A 38 -9.009 0.826 1.158 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -7.197 0.891 2.823 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -6.727 1.691 1.304 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -7.174 2.667 2.723 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -9.551 0.895 3.561 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -9.622 2.672 3.489 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -10.800 1.697 2.579 1.00 0.00 H new ATOM 540 N VAL A 39 -8.053 1.259 -2.011 1.00 0.00 N ATOM 541 CA VAL A 39 -8.492 0.419 -3.119 1.00 0.00 C ATOM 542 C VAL A 39 -8.961 -0.944 -2.622 1.00 0.00 C ATOM 543 O VAL A 39 -8.598 -1.375 -1.527 1.00 0.00 O ATOM 544 CB VAL A 39 -7.367 0.218 -4.151 1.00 0.00 C ATOM 545 CG1 VAL A 39 -6.910 1.557 -4.710 1.00 0.00 C ATOM 546 CG2 VAL A 39 -6.201 -0.536 -3.528 1.00 0.00 C ATOM 0 H VAL A 39 -7.155 0.991 -1.609 1.00 0.00 H new ATOM 0 HA VAL A 39 -9.325 0.935 -3.597 1.00 0.00 H new ATOM 0 HB VAL A 39 -7.756 -0.379 -4.976 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -6.115 1.395 -5.438 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -7.750 2.055 -5.195 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -6.538 2.182 -3.898 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -5.415 -0.669 -4.271 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -5.810 0.032 -2.684 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -6.542 -1.512 -3.182 1.00 0.00 H new ATOM 556 N GLN A 40 -9.768 -1.620 -3.434 1.00 0.00 N ATOM 557 CA GLN A 40 -10.285 -2.935 -3.076 1.00 0.00 C ATOM 558 C GLN A 40 -9.942 -3.965 -4.147 1.00 0.00 C ATOM 559 O GLN A 40 -10.299 -3.804 -5.314 1.00 0.00 O ATOM 560 CB GLN A 40 -11.801 -2.873 -2.880 1.00 0.00 C ATOM 561 CG GLN A 40 -12.421 -4.208 -2.502 1.00 0.00 C ATOM 562 CD GLN A 40 -13.932 -4.207 -2.629 1.00 0.00 C ATOM 563 OE1 GLN A 40 -14.480 -4.621 -3.651 1.00 0.00 O ATOM 564 NE2 GLN A 40 -14.613 -3.743 -1.588 1.00 0.00 N ATOM 0 H GLN A 40 -10.078 -1.278 -4.344 1.00 0.00 H new ATOM 0 HA GLN A 40 -9.816 -3.240 -2.141 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -12.029 -2.143 -2.103 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -12.263 -2.515 -3.800 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -12.007 -4.990 -3.139 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -12.147 -4.454 -1.476 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -14.117 -3.410 -0.761 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -15.632 -3.720 -1.615 1.00 0.00 H new ATOM 573 N ARG A 41 -9.246 -5.022 -3.742 1.00 0.00 N ATOM 574 CA ARG A 41 -8.852 -6.077 -4.666 1.00 0.00 C ATOM 575 C ARG A 41 -10.077 -6.790 -5.231 1.00 0.00 C ATOM 576 O ARG A 41 -11.162 -6.770 -4.649 1.00 0.00 O ATOM 577 CB ARG A 41 -7.942 -7.087 -3.964 1.00 0.00 C ATOM 578 CG ARG A 41 -6.470 -6.707 -3.998 1.00 0.00 C ATOM 579 CD ARG A 41 -6.169 -5.562 -3.044 1.00 0.00 C ATOM 580 NE ARG A 41 -4.792 -5.601 -2.558 1.00 0.00 N ATOM 581 CZ ARG A 41 -4.130 -4.529 -2.139 1.00 0.00 C ATOM 582 NH1 ARG A 41 -4.715 -3.339 -2.145 1.00 0.00 N ATOM 583 NH2 ARG A 41 -2.879 -4.646 -1.712 1.00 0.00 N ATOM 0 H ARG A 41 -8.943 -5.170 -2.779 1.00 0.00 H new ATOM 0 HA ARG A 41 -8.306 -5.617 -5.490 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -8.259 -7.188 -2.926 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -8.067 -8.063 -4.432 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -5.863 -7.573 -3.732 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -6.190 -6.421 -5.012 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -6.348 -4.613 -3.549 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -6.854 -5.607 -2.197 1.00 0.00 H new ATOM 0 HE ARG A 41 -4.313 -6.501 -2.540 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -5.677 -3.245 -2.472 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -4.203 -2.518 -1.822 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -2.426 -5.560 -1.706 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -2.371 -3.822 -1.390 1.00 0.00 H new ATOM 698 N LEU A 50 -11.762 -6.667 -0.127 1.00 0.00 N ATOM 699 CA LEU A 50 -11.486 -5.959 1.118 1.00 0.00 C ATOM 700 C LEU A 50 -10.760 -4.645 0.847 1.00 0.00 C ATOM 701 O LEU A 50 -9.832 -4.591 0.041 1.00 0.00 O ATOM 702 CB LEU A 50 -10.646 -6.836 2.050 1.00 0.00 C ATOM 703 CG LEU A 50 -11.417 -7.857 2.886 1.00 0.00 C ATOM 704 CD1 LEU A 50 -12.334 -7.154 3.875 1.00 0.00 C ATOM 705 CD2 LEU A 50 -12.215 -8.790 1.986 1.00 0.00 C ATOM 0 HA LEU A 50 -12.438 -5.735 1.599 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -9.910 -7.370 1.448 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -10.092 -6.186 2.727 1.00 0.00 H new ATOM 0 HG LEU A 50 -10.699 -8.454 3.449 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -12.875 -7.897 4.461 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -11.740 -6.529 4.541 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -13.046 -6.532 3.332 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -12.758 -9.510 2.598 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -12.924 -8.209 1.396 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -11.536 -9.320 1.318 1.00 0.00 H new ATOM 717 N TRP A 51 -11.189 -3.589 1.529 1.00 0.00 N ATOM 718 CA TRP A 51 -10.579 -2.274 1.363 1.00 0.00 C ATOM 719 C TRP A 51 -9.192 -2.234 1.995 1.00 0.00 C ATOM 720 O TRP A 51 -9.000 -2.692 3.120 1.00 0.00 O ATOM 721 CB TRP A 51 -11.467 -1.195 1.985 1.00 0.00 C ATOM 722 CG TRP A 51 -12.845 -1.149 1.398 1.00 0.00 C ATOM 723 CD1 TRP A 51 -13.980 -1.693 1.927 1.00 0.00 C ATOM 724 CD2 TRP A 51 -13.232 -0.526 0.168 1.00 0.00 C ATOM 725 NE1 TRP A 51 -15.050 -1.448 1.101 1.00 0.00 N ATOM 726 CE2 TRP A 51 -14.618 -0.732 0.015 1.00 0.00 C ATOM 727 CE3 TRP A 51 -12.544 0.187 -0.818 1.00 0.00 C ATOM 728 CZ2 TRP A 51 -15.324 -0.251 -1.083 1.00 0.00 C ATOM 729 CZ3 TRP A 51 -13.247 0.663 -1.908 1.00 0.00 C ATOM 730 CH2 TRP A 51 -14.626 0.444 -2.034 1.00 0.00 C ATOM 0 H TRP A 51 -11.956 -3.617 2.201 1.00 0.00 H new ATOM 0 HA TRP A 51 -10.477 -2.080 0.295 1.00 0.00 H new ATOM 0 HB2 TRP A 51 -11.543 -1.371 3.058 1.00 0.00 H new ATOM 0 HB3 TRP A 51 -10.991 -0.223 1.854 1.00 0.00 H new ATOM 0 HD1 TRP A 51 -14.029 -2.237 2.859 1.00 0.00 H new ATOM 0 HE1 TRP A 51 -16.010 -1.750 1.269 1.00 0.00 H new ATOM 0 HE3 TRP A 51 -11.482 0.363 -0.729 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 -16.386 -0.420 -1.182 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 -12.725 1.214 -2.677 1.00 0.00 H new ATOM 0 HH2 TRP A 51 -15.147 0.831 -2.897 1.00 0.00 H new ATOM 741 N GLU A 52 -8.228 -1.683 1.264 1.00 0.00 N ATOM 742 CA GLU A 52 -6.859 -1.585 1.754 1.00 0.00 C ATOM 743 C GLU A 52 -6.013 -0.708 0.835 1.00 0.00 C ATOM 744 O GLU A 52 -6.410 -0.405 -0.290 1.00 0.00 O ATOM 745 CB GLU A 52 -6.233 -2.976 1.868 1.00 0.00 C ATOM 746 CG GLU A 52 -6.425 -3.833 0.627 1.00 0.00 C ATOM 747 CD GLU A 52 -6.497 -5.313 0.947 1.00 0.00 C ATOM 748 OE1 GLU A 52 -5.543 -5.832 1.565 1.00 0.00 O ATOM 749 OE2 GLU A 52 -7.504 -5.953 0.578 1.00 0.00 O ATOM 0 H GLU A 52 -8.370 -1.298 0.330 1.00 0.00 H new ATOM 0 HA GLU A 52 -6.887 -1.125 2.742 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -5.166 -2.870 2.065 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -6.666 -3.491 2.726 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -7.340 -3.530 0.119 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -5.602 -3.654 -0.065 1.00 0.00 H new ATOM 756 N PHE A 53 -4.844 -0.304 1.322 1.00 0.00 N ATOM 757 CA PHE A 53 -3.943 0.540 0.547 1.00 0.00 C ATOM 758 C PHE A 53 -3.335 -0.240 -0.616 1.00 0.00 C ATOM 759 O PHE A 53 -3.111 -1.448 -0.536 1.00 0.00 O ATOM 760 CB PHE A 53 -2.831 1.092 1.441 1.00 0.00 C ATOM 761 CG PHE A 53 -3.334 1.675 2.731 1.00 0.00 C ATOM 762 CD1 PHE A 53 -4.280 2.688 2.727 1.00 0.00 C ATOM 763 CD2 PHE A 53 -2.860 1.211 3.947 1.00 0.00 C ATOM 764 CE1 PHE A 53 -4.745 3.226 3.912 1.00 0.00 C ATOM 765 CE2 PHE A 53 -3.322 1.744 5.136 1.00 0.00 C ATOM 766 CZ PHE A 53 -4.264 2.755 5.118 1.00 0.00 C ATOM 0 H PHE A 53 -4.499 -0.548 2.250 1.00 0.00 H new ATOM 0 HA PHE A 53 -4.521 1.371 0.143 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -2.124 0.293 1.664 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -2.283 1.859 0.894 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -4.658 3.061 1.787 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -2.121 0.424 3.966 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -5.484 4.014 3.895 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -2.947 1.371 6.078 1.00 0.00 H new ATOM 0 HZ PHE A 53 -4.623 3.176 6.045 1.00 0.00 H new ATOM 776 N PRO A 54 -3.062 0.467 -1.723 1.00 0.00 N ATOM 777 CA PRO A 54 -2.477 -0.138 -2.923 1.00 0.00 C ATOM 778 C PRO A 54 -1.026 -0.555 -2.713 1.00 0.00 C ATOM 779 O PRO A 54 -0.264 0.132 -2.033 1.00 0.00 O ATOM 780 CB PRO A 54 -2.566 0.981 -3.964 1.00 0.00 C ATOM 781 CG PRO A 54 -2.583 2.240 -3.166 1.00 0.00 C ATOM 782 CD PRO A 54 -3.303 1.910 -1.887 1.00 0.00 C ATOM 0 HA PRO A 54 -2.996 -1.051 -3.213 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -1.716 0.956 -4.646 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -3.466 0.885 -4.572 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -1.570 2.588 -2.965 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -3.093 3.038 -3.706 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -2.910 2.481 -1.046 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -4.367 2.134 -1.956 1.00 0.00 H new ATOM 790 N SER A 55 -0.648 -1.686 -3.302 1.00 0.00 N ATOM 791 CA SER A 55 0.711 -2.197 -3.176 1.00 0.00 C ATOM 792 C SER A 55 1.163 -2.865 -4.472 1.00 0.00 C ATOM 793 O SER A 55 0.341 -3.265 -5.297 1.00 0.00 O ATOM 794 CB SER A 55 0.800 -3.192 -2.018 1.00 0.00 C ATOM 795 OG SER A 55 0.320 -4.468 -2.405 1.00 0.00 O ATOM 0 H SER A 55 -1.265 -2.265 -3.871 1.00 0.00 H new ATOM 0 HA SER A 55 1.372 -1.354 -2.972 1.00 0.00 H new ATOM 0 HB2 SER A 55 1.834 -3.275 -1.684 1.00 0.00 H new ATOM 0 HB3 SER A 55 0.220 -2.823 -1.172 1.00 0.00 H new ATOM 0 HG SER A 55 0.389 -5.087 -1.648 1.00 0.00 H new ATOM 801 N VAL A 56 2.476 -2.983 -4.644 1.00 0.00 N ATOM 802 CA VAL A 56 3.038 -3.603 -5.837 1.00 0.00 C ATOM 803 C VAL A 56 3.969 -4.754 -5.472 1.00 0.00 C ATOM 804 O VAL A 56 4.217 -5.018 -4.294 1.00 0.00 O ATOM 805 CB VAL A 56 3.814 -2.580 -6.688 1.00 0.00 C ATOM 806 CG1 VAL A 56 2.962 -1.348 -6.952 1.00 0.00 C ATOM 807 CG2 VAL A 56 5.119 -2.200 -6.005 1.00 0.00 C ATOM 0 H VAL A 56 3.170 -2.657 -3.972 1.00 0.00 H new ATOM 0 HA VAL A 56 2.200 -3.988 -6.418 1.00 0.00 H new ATOM 0 HB VAL A 56 4.053 -3.039 -7.648 1.00 0.00 H new ATOM 0 HG11 VAL A 56 3.527 -0.637 -7.554 1.00 0.00 H new ATOM 0 HG12 VAL A 56 2.058 -1.639 -7.487 1.00 0.00 H new ATOM 0 HG13 VAL A 56 2.689 -0.884 -6.004 1.00 0.00 H new ATOM 0 HG21 VAL A 56 5.654 -1.477 -6.620 1.00 0.00 H new ATOM 0 HG22 VAL A 56 4.905 -1.760 -5.031 1.00 0.00 H new ATOM 0 HG23 VAL A 56 5.734 -3.090 -5.874 1.00 0.00 H new ATOM 817 N THR A 57 4.483 -5.438 -6.489 1.00 0.00 N ATOM 818 CA THR A 57 5.386 -6.561 -6.277 1.00 0.00 C ATOM 819 C THR A 57 6.654 -6.119 -5.555 1.00 0.00 C ATOM 820 O THR A 57 7.156 -5.018 -5.782 1.00 0.00 O ATOM 821 CB THR A 57 5.774 -7.231 -7.608 1.00 0.00 C ATOM 822 OG1 THR A 57 6.189 -6.238 -8.554 1.00 0.00 O ATOM 823 CG2 THR A 57 4.606 -8.023 -8.176 1.00 0.00 C ATOM 0 H THR A 57 4.289 -5.233 -7.469 1.00 0.00 H new ATOM 0 HA THR A 57 4.852 -7.282 -5.659 1.00 0.00 H new ATOM 0 HB THR A 57 6.599 -7.917 -7.417 1.00 0.00 H new ATOM 0 HG1 THR A 57 6.436 -6.672 -9.397 1.00 0.00 H new ATOM 0 HG21 THR A 57 4.904 -8.487 -9.116 1.00 0.00 H new ATOM 0 HG22 THR A 57 4.312 -8.797 -7.467 1.00 0.00 H new ATOM 0 HG23 THR A 57 3.764 -7.354 -8.353 1.00 0.00 H new ATOM 831 N TRP A 58 7.168 -6.983 -4.687 1.00 0.00 N ATOM 832 CA TRP A 58 8.379 -6.680 -3.933 1.00 0.00 C ATOM 833 C TRP A 58 9.574 -6.514 -4.866 1.00 0.00 C ATOM 834 O TRP A 58 9.705 -7.237 -5.854 1.00 0.00 O ATOM 835 CB TRP A 58 8.661 -7.786 -2.915 1.00 0.00 C ATOM 836 CG TRP A 58 9.922 -7.568 -2.136 1.00 0.00 C ATOM 837 CD1 TRP A 58 10.080 -6.771 -1.038 1.00 0.00 C ATOM 838 CD2 TRP A 58 11.201 -8.155 -2.396 1.00 0.00 C ATOM 839 NE1 TRP A 58 11.382 -6.827 -0.600 1.00 0.00 N ATOM 840 CE2 TRP A 58 12.089 -7.669 -1.416 1.00 0.00 C ATOM 841 CE3 TRP A 58 11.684 -9.044 -3.360 1.00 0.00 C ATOM 842 CZ2 TRP A 58 13.429 -8.044 -1.374 1.00 0.00 C ATOM 843 CZ3 TRP A 58 13.014 -9.414 -3.318 1.00 0.00 C ATOM 844 CH2 TRP A 58 13.875 -8.915 -2.331 1.00 0.00 C ATOM 0 H TRP A 58 6.765 -7.899 -4.488 1.00 0.00 H new ATOM 0 HA TRP A 58 8.222 -5.740 -3.404 1.00 0.00 H new ATOM 0 HB2 TRP A 58 7.822 -7.855 -2.223 1.00 0.00 H new ATOM 0 HB3 TRP A 58 8.724 -8.742 -3.436 1.00 0.00 H new ATOM 0 HD1 TRP A 58 9.297 -6.183 -0.581 1.00 0.00 H new ATOM 0 HE1 TRP A 58 11.760 -6.323 0.202 1.00 0.00 H new ATOM 0 HE3 TRP A 58 11.029 -9.435 -4.124 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 14.093 -7.661 -0.613 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 13.397 -10.100 -4.059 1.00 0.00 H new ATOM 0 HH2 TRP A 58 14.910 -9.224 -2.325 1.00 0.00 H new ATOM 855 N GLU A 59 10.442 -5.561 -4.546 1.00 0.00 N ATOM 856 CA GLU A 59 11.626 -5.302 -5.357 1.00 0.00 C ATOM 857 C GLU A 59 12.895 -5.394 -4.513 1.00 0.00 C ATOM 858 O GLU A 59 12.970 -4.869 -3.402 1.00 0.00 O ATOM 859 CB GLU A 59 11.532 -3.921 -6.009 1.00 0.00 C ATOM 860 CG GLU A 59 10.445 -3.819 -7.065 1.00 0.00 C ATOM 861 CD GLU A 59 10.799 -4.559 -8.341 1.00 0.00 C ATOM 862 OE1 GLU A 59 11.170 -5.748 -8.254 1.00 0.00 O ATOM 863 OE2 GLU A 59 10.706 -3.948 -9.426 1.00 0.00 O ATOM 0 H GLU A 59 10.348 -4.955 -3.731 1.00 0.00 H new ATOM 0 HA GLU A 59 11.674 -6.062 -6.137 1.00 0.00 H new ATOM 0 HB2 GLU A 59 11.347 -3.175 -5.236 1.00 0.00 H new ATOM 0 HB3 GLU A 59 12.492 -3.677 -6.463 1.00 0.00 H new ATOM 0 HG2 GLU A 59 9.515 -4.220 -6.663 1.00 0.00 H new ATOM 0 HG3 GLU A 59 10.266 -2.769 -7.296 1.00 0.00 H new ATOM 870 N PRO A 60 13.915 -6.078 -5.053 1.00 0.00 N ATOM 871 CA PRO A 60 15.198 -6.255 -4.368 1.00 0.00 C ATOM 872 C PRO A 60 15.990 -4.955 -4.274 1.00 0.00 C ATOM 873 O PRO A 60 16.775 -4.761 -3.347 1.00 0.00 O ATOM 874 CB PRO A 60 15.934 -7.267 -5.250 1.00 0.00 C ATOM 875 CG PRO A 60 15.334 -7.097 -6.603 1.00 0.00 C ATOM 876 CD PRO A 60 13.894 -6.729 -6.373 1.00 0.00 C ATOM 0 HA PRO A 60 15.067 -6.583 -3.337 1.00 0.00 H new ATOM 0 HB2 PRO A 60 17.006 -7.073 -5.265 1.00 0.00 H new ATOM 0 HB3 PRO A 60 15.800 -8.284 -4.882 1.00 0.00 H new ATOM 0 HG2 PRO A 60 15.851 -6.319 -7.164 1.00 0.00 H new ATOM 0 HG3 PRO A 60 15.414 -8.016 -7.184 1.00 0.00 H new ATOM 0 HD2 PRO A 60 13.523 -6.057 -7.147 1.00 0.00 H new ATOM 0 HD3 PRO A 60 13.249 -7.608 -6.377 1.00 0.00 H new ATOM 884 N SER A 61 15.777 -4.067 -5.240 1.00 0.00 N ATOM 885 CA SER A 61 16.474 -2.786 -5.268 1.00 0.00 C ATOM 886 C SER A 61 15.658 -1.708 -4.562 1.00 0.00 C ATOM 887 O SER A 61 14.430 -1.772 -4.522 1.00 0.00 O ATOM 888 CB SER A 61 16.756 -2.366 -6.712 1.00 0.00 C ATOM 889 OG SER A 61 17.845 -1.463 -6.778 1.00 0.00 O ATOM 0 H SER A 61 15.128 -4.211 -6.013 1.00 0.00 H new ATOM 0 HA SER A 61 17.421 -2.904 -4.741 1.00 0.00 H new ATOM 0 HB2 SER A 61 16.974 -3.248 -7.314 1.00 0.00 H new ATOM 0 HB3 SER A 61 15.867 -1.901 -7.139 1.00 0.00 H new ATOM 0 HG SER A 61 18.005 -1.212 -7.712 1.00 0.00 H new ATOM 895 N GLU A 62 16.350 -0.718 -4.008 1.00 0.00 N ATOM 896 CA GLU A 62 15.689 0.373 -3.302 1.00 0.00 C ATOM 897 C GLU A 62 14.942 1.278 -4.278 1.00 0.00 C ATOM 898 O GLU A 62 13.926 1.879 -3.928 1.00 0.00 O ATOM 899 CB GLU A 62 16.712 1.193 -2.512 1.00 0.00 C ATOM 900 CG GLU A 62 16.084 2.163 -1.525 1.00 0.00 C ATOM 901 CD GLU A 62 15.602 1.478 -0.261 1.00 0.00 C ATOM 902 OE1 GLU A 62 14.473 0.946 -0.267 1.00 0.00 O ATOM 903 OE2 GLU A 62 16.356 1.475 0.735 1.00 0.00 O ATOM 0 H GLU A 62 17.367 -0.649 -4.034 1.00 0.00 H new ATOM 0 HA GLU A 62 14.968 -0.061 -2.609 1.00 0.00 H new ATOM 0 HB2 GLU A 62 17.370 0.513 -1.971 1.00 0.00 H new ATOM 0 HB3 GLU A 62 17.335 1.751 -3.211 1.00 0.00 H new ATOM 0 HG2 GLU A 62 16.812 2.931 -1.263 1.00 0.00 H new ATOM 0 HG3 GLU A 62 15.245 2.669 -2.002 1.00 0.00 H new ATOM 910 N GLN A 63 15.453 1.369 -5.501 1.00 0.00 N ATOM 911 CA GLN A 63 14.834 2.201 -6.527 1.00 0.00 C ATOM 912 C GLN A 63 13.668 1.473 -7.187 1.00 0.00 C ATOM 913 O GLN A 63 12.524 1.927 -7.125 1.00 0.00 O ATOM 914 CB GLN A 63 15.866 2.598 -7.584 1.00 0.00 C ATOM 915 CG GLN A 63 15.485 3.841 -8.371 1.00 0.00 C ATOM 916 CD GLN A 63 15.514 5.099 -7.525 1.00 0.00 C ATOM 917 OE1 GLN A 63 16.532 5.427 -6.915 1.00 0.00 O ATOM 918 NE2 GLN A 63 14.393 5.810 -7.484 1.00 0.00 N ATOM 0 H GLN A 63 16.293 0.878 -5.806 1.00 0.00 H new ATOM 0 HA GLN A 63 14.452 3.102 -6.046 1.00 0.00 H new ATOM 0 HB2 GLN A 63 16.826 2.767 -7.097 1.00 0.00 H new ATOM 0 HB3 GLN A 63 16.002 1.767 -8.277 1.00 0.00 H new ATOM 0 HG2 GLN A 63 16.168 3.958 -9.212 1.00 0.00 H new ATOM 0 HG3 GLN A 63 14.486 3.711 -8.788 1.00 0.00 H new ATOM 0 HE21 GLN A 63 13.573 5.500 -8.006 1.00 0.00 H new ATOM 0 HE22 GLN A 63 14.352 6.666 -6.931 1.00 0.00 H new ATOM 927 N LEU A 64 13.963 0.343 -7.819 1.00 0.00 N ATOM 928 CA LEU A 64 12.938 -0.448 -8.491 1.00 0.00 C ATOM 929 C LEU A 64 11.647 -0.471 -7.679 1.00 0.00 C ATOM 930 O LEU A 64 10.554 -0.351 -8.231 1.00 0.00 O ATOM 931 CB LEU A 64 13.437 -1.876 -8.719 1.00 0.00 C ATOM 932 CG LEU A 64 14.453 -2.061 -9.847 1.00 0.00 C ATOM 933 CD1 LEU A 64 15.370 -0.851 -9.941 1.00 0.00 C ATOM 934 CD2 LEU A 64 15.262 -3.331 -9.631 1.00 0.00 C ATOM 0 H LEU A 64 14.904 -0.046 -7.880 1.00 0.00 H new ATOM 0 HA LEU A 64 12.730 0.016 -9.455 1.00 0.00 H new ATOM 0 HB2 LEU A 64 13.884 -2.235 -7.792 1.00 0.00 H new ATOM 0 HB3 LEU A 64 12.576 -2.512 -8.925 1.00 0.00 H new ATOM 0 HG LEU A 64 13.912 -2.155 -10.788 1.00 0.00 H new ATOM 0 HD11 LEU A 64 16.087 -0.999 -10.749 1.00 0.00 H new ATOM 0 HD12 LEU A 64 14.776 0.041 -10.142 1.00 0.00 H new ATOM 0 HD13 LEU A 64 15.905 -0.726 -9.000 1.00 0.00 H new ATOM 0 HD21 LEU A 64 15.980 -3.447 -10.443 1.00 0.00 H new ATOM 0 HD22 LEU A 64 15.794 -3.266 -8.682 1.00 0.00 H new ATOM 0 HD23 LEU A 64 14.592 -4.191 -9.613 1.00 0.00 H new ATOM 946 N GLN A 65 11.783 -0.623 -6.366 1.00 0.00 N ATOM 947 CA GLN A 65 10.628 -0.659 -5.478 1.00 0.00 C ATOM 948 C GLN A 65 9.765 0.586 -5.656 1.00 0.00 C ATOM 949 O GLN A 65 8.555 0.491 -5.865 1.00 0.00 O ATOM 950 CB GLN A 65 11.080 -0.778 -4.022 1.00 0.00 C ATOM 951 CG GLN A 65 10.076 -1.489 -3.129 1.00 0.00 C ATOM 952 CD GLN A 65 8.647 -1.072 -3.409 1.00 0.00 C ATOM 953 OE1 GLN A 65 8.124 -0.146 -2.787 1.00 0.00 O ATOM 954 NE2 GLN A 65 8.004 -1.753 -4.350 1.00 0.00 N ATOM 0 H GLN A 65 12.682 -0.723 -5.894 1.00 0.00 H new ATOM 0 HA GLN A 65 10.030 -1.533 -5.737 1.00 0.00 H new ATOM 0 HB2 GLN A 65 12.028 -1.315 -3.987 1.00 0.00 H new ATOM 0 HB3 GLN A 65 11.264 0.220 -3.625 1.00 0.00 H new ATOM 0 HG2 GLN A 65 10.170 -2.566 -3.269 1.00 0.00 H new ATOM 0 HG3 GLN A 65 10.313 -1.281 -2.086 1.00 0.00 H new ATOM 0 HE21 GLN A 65 8.475 -2.513 -4.841 1.00 0.00 H new ATOM 0 HE22 GLN A 65 7.039 -1.516 -4.582 1.00 0.00 H new ATOM 963 N ARG A 66 10.395 1.753 -5.571 1.00 0.00 N ATOM 964 CA ARG A 66 9.685 3.018 -5.720 1.00 0.00 C ATOM 965 C ARG A 66 9.190 3.197 -7.152 1.00 0.00 C ATOM 966 O ARG A 66 8.023 3.519 -7.383 1.00 0.00 O ATOM 967 CB ARG A 66 10.593 4.186 -5.334 1.00 0.00 C ATOM 968 CG ARG A 66 11.204 4.050 -3.949 1.00 0.00 C ATOM 969 CD ARG A 66 12.461 4.895 -3.809 1.00 0.00 C ATOM 970 NE ARG A 66 12.154 6.315 -3.669 1.00 0.00 N ATOM 971 CZ ARG A 66 12.979 7.195 -3.112 1.00 0.00 C ATOM 972 NH1 ARG A 66 14.156 6.800 -2.646 1.00 0.00 N ATOM 973 NH2 ARG A 66 12.628 8.471 -3.021 1.00 0.00 N ATOM 0 H ARG A 66 11.396 1.849 -5.400 1.00 0.00 H new ATOM 0 HA ARG A 66 8.822 3.002 -5.054 1.00 0.00 H new ATOM 0 HB2 ARG A 66 11.394 4.271 -6.069 1.00 0.00 H new ATOM 0 HB3 ARG A 66 10.019 5.112 -5.380 1.00 0.00 H new ATOM 0 HG2 ARG A 66 10.475 4.353 -3.197 1.00 0.00 H new ATOM 0 HG3 ARG A 66 11.444 3.004 -3.757 1.00 0.00 H new ATOM 0 HD2 ARG A 66 13.028 4.560 -2.941 1.00 0.00 H new ATOM 0 HD3 ARG A 66 13.097 4.746 -4.682 1.00 0.00 H new ATOM 0 HE ARG A 66 11.256 6.650 -4.018 1.00 0.00 H new ATOM 0 HH11 ARG A 66 14.429 5.820 -2.715 1.00 0.00 H new ATOM 0 HH12 ARG A 66 14.788 7.477 -2.219 1.00 0.00 H new ATOM 0 HH21 ARG A 66 11.724 8.778 -3.379 1.00 0.00 H new ATOM 0 HH22 ARG A 66 13.263 9.145 -2.593 1.00 0.00 H new ATOM 987 N LYS A 67 10.083 2.987 -8.113 1.00 0.00 N ATOM 988 CA LYS A 67 9.738 3.124 -9.523 1.00 0.00 C ATOM 989 C LYS A 67 8.413 2.434 -9.829 1.00 0.00 C ATOM 990 O LYS A 67 7.473 3.062 -10.317 1.00 0.00 O ATOM 991 CB LYS A 67 10.847 2.535 -10.399 1.00 0.00 C ATOM 992 CG LYS A 67 11.941 3.529 -10.747 1.00 0.00 C ATOM 993 CD LYS A 67 12.806 3.029 -11.891 1.00 0.00 C ATOM 994 CE LYS A 67 13.566 1.768 -11.507 1.00 0.00 C ATOM 995 NZ LYS A 67 12.795 0.536 -11.829 1.00 0.00 N ATOM 0 H LYS A 67 11.052 2.721 -7.941 1.00 0.00 H new ATOM 0 HA LYS A 67 9.633 4.186 -9.745 1.00 0.00 H new ATOM 0 HB2 LYS A 67 11.292 1.684 -9.884 1.00 0.00 H new ATOM 0 HB3 LYS A 67 10.407 2.155 -11.321 1.00 0.00 H new ATOM 0 HG2 LYS A 67 11.492 4.484 -11.020 1.00 0.00 H new ATOM 0 HG3 LYS A 67 12.564 3.708 -9.870 1.00 0.00 H new ATOM 0 HD2 LYS A 67 12.180 2.827 -12.760 1.00 0.00 H new ATOM 0 HD3 LYS A 67 13.513 3.807 -12.181 1.00 0.00 H new ATOM 0 HE2 LYS A 67 14.521 1.746 -12.031 1.00 0.00 H new ATOM 0 HE3 LYS A 67 13.788 1.789 -10.440 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 13.386 -0.301 -11.647 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 11.943 0.494 -11.234 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 12.517 0.552 -12.831 1.00 0.00 H new ATOM 1009 N ALA A 68 8.344 1.139 -9.538 1.00 0.00 N ATOM 1010 CA ALA A 68 7.133 0.365 -9.778 1.00 0.00 C ATOM 1011 C ALA A 68 6.029 0.757 -8.803 1.00 0.00 C ATOM 1012 O ALA A 68 4.894 1.018 -9.205 1.00 0.00 O ATOM 1013 CB ALA A 68 7.428 -1.123 -9.674 1.00 0.00 C ATOM 0 H ALA A 68 9.113 0.604 -9.135 1.00 0.00 H new ATOM 0 HA ALA A 68 6.785 0.585 -10.787 1.00 0.00 H new ATOM 0 HB1 ALA A 68 6.514 -1.689 -9.856 1.00 0.00 H new ATOM 0 HB2 ALA A 68 8.178 -1.398 -10.415 1.00 0.00 H new ATOM 0 HB3 ALA A 68 7.803 -1.351 -8.676 1.00 0.00 H new ATOM 1019 N LEU A 69 6.366 0.797 -7.518 1.00 0.00 N ATOM 1020 CA LEU A 69 5.402 1.156 -6.484 1.00 0.00 C ATOM 1021 C LEU A 69 4.518 2.311 -6.943 1.00 0.00 C ATOM 1022 O LEU A 69 3.298 2.278 -6.772 1.00 0.00 O ATOM 1023 CB LEU A 69 6.129 1.537 -5.193 1.00 0.00 C ATOM 1024 CG LEU A 69 5.273 2.196 -4.111 1.00 0.00 C ATOM 1025 CD1 LEU A 69 4.263 1.206 -3.552 1.00 0.00 C ATOM 1026 CD2 LEU A 69 6.152 2.750 -2.999 1.00 0.00 C ATOM 0 H LEU A 69 7.300 0.585 -7.168 1.00 0.00 H new ATOM 0 HA LEU A 69 4.768 0.290 -6.295 1.00 0.00 H new ATOM 0 HB2 LEU A 69 6.579 0.637 -4.774 1.00 0.00 H new ATOM 0 HB3 LEU A 69 6.945 2.214 -5.445 1.00 0.00 H new ATOM 0 HG LEU A 69 4.727 3.025 -4.562 1.00 0.00 H new ATOM 0 HD11 LEU A 69 3.663 1.693 -2.783 1.00 0.00 H new ATOM 0 HD12 LEU A 69 3.612 0.858 -4.354 1.00 0.00 H new ATOM 0 HD13 LEU A 69 4.789 0.356 -3.117 1.00 0.00 H new ATOM 0 HD21 LEU A 69 5.526 3.215 -2.238 1.00 0.00 H new ATOM 0 HD22 LEU A 69 6.726 1.939 -2.551 1.00 0.00 H new ATOM 0 HD23 LEU A 69 6.835 3.493 -3.411 1.00 0.00 H new ATOM 1038 N LEU A 70 5.137 3.329 -7.528 1.00 0.00 N ATOM 1039 CA LEU A 70 4.406 4.494 -8.013 1.00 0.00 C ATOM 1040 C LEU A 70 3.558 4.135 -9.230 1.00 0.00 C ATOM 1041 O LEU A 70 2.363 4.423 -9.271 1.00 0.00 O ATOM 1042 CB LEU A 70 5.378 5.619 -8.370 1.00 0.00 C ATOM 1043 CG LEU A 70 6.109 6.271 -7.195 1.00 0.00 C ATOM 1044 CD1 LEU A 70 7.228 7.172 -7.696 1.00 0.00 C ATOM 1045 CD2 LEU A 70 5.134 7.059 -6.332 1.00 0.00 C ATOM 0 H LEU A 70 6.145 3.372 -7.678 1.00 0.00 H new ATOM 0 HA LEU A 70 3.743 4.834 -7.217 1.00 0.00 H new ATOM 0 HB2 LEU A 70 6.122 5.224 -9.061 1.00 0.00 H new ATOM 0 HB3 LEU A 70 4.827 6.393 -8.904 1.00 0.00 H new ATOM 0 HG LEU A 70 6.550 5.483 -6.584 1.00 0.00 H new ATOM 0 HD11 LEU A 70 7.737 7.627 -6.846 1.00 0.00 H new ATOM 0 HD12 LEU A 70 7.941 6.581 -8.272 1.00 0.00 H new ATOM 0 HD13 LEU A 70 6.809 7.954 -8.330 1.00 0.00 H new ATOM 0 HD21 LEU A 70 5.671 7.516 -5.501 1.00 0.00 H new ATOM 0 HD22 LEU A 70 4.664 7.838 -6.932 1.00 0.00 H new ATOM 0 HD23 LEU A 70 4.368 6.388 -5.944 1.00 0.00 H new ATOM 1057 N GLN A 71 4.185 3.504 -10.216 1.00 0.00 N ATOM 1058 CA GLN A 71 3.487 3.104 -11.433 1.00 0.00 C ATOM 1059 C GLN A 71 2.067 2.645 -11.120 1.00 0.00 C ATOM 1060 O GLN A 71 1.124 2.978 -11.837 1.00 0.00 O ATOM 1061 CB GLN A 71 4.252 1.986 -12.142 1.00 0.00 C ATOM 1062 CG GLN A 71 5.499 2.467 -12.868 1.00 0.00 C ATOM 1063 CD GLN A 71 5.176 3.219 -14.144 1.00 0.00 C ATOM 1064 OE1 GLN A 71 4.086 3.771 -14.295 1.00 0.00 O ATOM 1065 NE2 GLN A 71 6.126 3.245 -15.072 1.00 0.00 N ATOM 0 H GLN A 71 5.175 3.258 -10.197 1.00 0.00 H new ATOM 0 HA GLN A 71 3.433 3.971 -12.091 1.00 0.00 H new ATOM 0 HB2 GLN A 71 4.537 1.231 -11.409 1.00 0.00 H new ATOM 0 HB3 GLN A 71 3.589 1.501 -12.858 1.00 0.00 H new ATOM 0 HG2 GLN A 71 6.074 3.113 -12.205 1.00 0.00 H new ATOM 0 HG3 GLN A 71 6.130 1.611 -13.105 1.00 0.00 H new ATOM 0 HE21 GLN A 71 7.015 2.774 -14.905 1.00 0.00 H new ATOM 0 HE22 GLN A 71 5.966 3.736 -15.952 1.00 0.00 H new ATOM 1074 N GLU A 72 1.921 1.878 -10.043 1.00 0.00 N ATOM 1075 CA GLU A 72 0.616 1.372 -9.637 1.00 0.00 C ATOM 1076 C GLU A 72 -0.274 2.506 -9.135 1.00 0.00 C ATOM 1077 O GLU A 72 -1.380 2.711 -9.636 1.00 0.00 O ATOM 1078 CB GLU A 72 0.772 0.310 -8.547 1.00 0.00 C ATOM 1079 CG GLU A 72 -0.459 -0.561 -8.364 1.00 0.00 C ATOM 1080 CD GLU A 72 -0.435 -1.796 -9.242 1.00 0.00 C ATOM 1081 OE1 GLU A 72 0.370 -2.709 -8.959 1.00 0.00 O ATOM 1082 OE2 GLU A 72 -1.219 -1.851 -10.212 1.00 0.00 O ATOM 0 H GLU A 72 2.691 1.594 -9.437 1.00 0.00 H new ATOM 0 HA GLU A 72 0.143 0.920 -10.508 1.00 0.00 H new ATOM 0 HB2 GLU A 72 1.623 -0.326 -8.790 1.00 0.00 H new ATOM 0 HB3 GLU A 72 1.002 0.803 -7.602 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -0.533 -0.864 -7.320 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -1.350 0.024 -8.590 1.00 0.00 H new ATOM 1089 N LEU A 73 0.216 3.239 -8.141 1.00 0.00 N ATOM 1090 CA LEU A 73 -0.534 4.352 -7.569 1.00 0.00 C ATOM 1091 C LEU A 73 -1.138 5.221 -8.665 1.00 0.00 C ATOM 1092 O LEU A 73 -2.317 5.571 -8.614 1.00 0.00 O ATOM 1093 CB LEU A 73 0.373 5.197 -6.674 1.00 0.00 C ATOM 1094 CG LEU A 73 0.651 4.635 -5.279 1.00 0.00 C ATOM 1095 CD1 LEU A 73 1.761 5.422 -4.598 1.00 0.00 C ATOM 1096 CD2 LEU A 73 -0.614 4.654 -4.434 1.00 0.00 C ATOM 0 H LEU A 73 1.129 3.083 -7.714 1.00 0.00 H new ATOM 0 HA LEU A 73 -1.345 3.941 -6.968 1.00 0.00 H new ATOM 0 HB2 LEU A 73 1.326 5.336 -7.184 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -0.076 6.184 -6.563 1.00 0.00 H new ATOM 0 HG LEU A 73 0.978 3.601 -5.384 1.00 0.00 H new ATOM 0 HD11 LEU A 73 1.945 5.008 -3.607 1.00 0.00 H new ATOM 0 HD12 LEU A 73 2.672 5.356 -5.193 1.00 0.00 H new ATOM 0 HD13 LEU A 73 1.463 6.466 -4.505 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -0.397 4.251 -3.445 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -0.972 5.679 -4.337 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -1.381 4.046 -4.914 1.00 0.00 H new ATOM 1108 N GLN A 74 -0.323 5.566 -9.657 1.00 0.00 N ATOM 1109 CA GLN A 74 -0.779 6.395 -10.768 1.00 0.00 C ATOM 1110 C GLN A 74 -2.036 5.810 -11.403 1.00 0.00 C ATOM 1111 O GLN A 74 -2.982 6.534 -11.712 1.00 0.00 O ATOM 1112 CB GLN A 74 0.324 6.526 -11.819 1.00 0.00 C ATOM 1113 CG GLN A 74 1.631 7.069 -11.265 1.00 0.00 C ATOM 1114 CD GLN A 74 2.825 6.708 -12.127 1.00 0.00 C ATOM 1115 OE1 GLN A 74 3.864 6.166 -11.501 1.00 0.00 O flip ATOM 1116 NE2 GLN A 74 2.815 6.912 -13.340 1.00 0.00 N flip ATOM 0 H GLN A 74 0.656 5.285 -9.714 1.00 0.00 H new ATOM 0 HA GLN A 74 -1.018 7.384 -10.377 1.00 0.00 H new ATOM 0 HB2 GLN A 74 0.507 5.549 -12.266 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -0.023 7.182 -12.618 1.00 0.00 H new ATOM 0 HG2 GLN A 74 1.563 8.154 -11.181 1.00 0.00 H new ATOM 0 HG3 GLN A 74 1.784 6.680 -10.258 1.00 0.00 H new ATOM 0 HE21 GLN A 74 1.996 7.331 -13.780 1.00 0.00 H new ATOM 0 HE22 GLN A 74 3.626 6.663 -13.906 1.00 0.00 H new ATOM 1125 N ARG A 75 -2.039 4.495 -11.595 1.00 0.00 N ATOM 1126 CA ARG A 75 -3.180 3.812 -12.195 1.00 0.00 C ATOM 1127 C ARG A 75 -4.475 4.189 -11.482 1.00 0.00 C ATOM 1128 O ARG A 75 -5.533 4.278 -12.103 1.00 0.00 O ATOM 1129 CB ARG A 75 -2.979 2.296 -12.144 1.00 0.00 C ATOM 1130 CG ARG A 75 -1.710 1.826 -12.836 1.00 0.00 C ATOM 1131 CD ARG A 75 -1.754 0.334 -13.126 1.00 0.00 C ATOM 1132 NE ARG A 75 -2.737 0.005 -14.154 1.00 0.00 N ATOM 1133 CZ ARG A 75 -3.027 -1.238 -14.521 1.00 0.00 C ATOM 1134 NH1 ARG A 75 -2.414 -2.263 -13.947 1.00 0.00 N ATOM 1135 NH2 ARG A 75 -3.935 -1.456 -15.465 1.00 0.00 N ATOM 0 H ARG A 75 -1.264 3.881 -11.344 1.00 0.00 H new ATOM 0 HA ARG A 75 -3.254 4.126 -13.236 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -2.954 1.976 -11.102 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -3.837 1.809 -12.607 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -1.578 2.375 -13.768 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -0.847 2.051 -12.209 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -0.768 -0.002 -13.447 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -1.993 -0.206 -12.210 1.00 0.00 H new ATOM 0 HE ARG A 75 -3.228 0.771 -14.615 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -1.717 -2.099 -13.221 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -2.639 -3.216 -14.231 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -4.409 -0.669 -15.908 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -4.158 -2.410 -15.747 1.00 0.00 H new ATOM 1149 N TRP A 76 -4.382 4.410 -10.176 1.00 0.00 N ATOM 1150 CA TRP A 76 -5.547 4.777 -9.378 1.00 0.00 C ATOM 1151 C TRP A 76 -5.762 6.286 -9.391 1.00 0.00 C ATOM 1152 O TRP A 76 -6.710 6.782 -10.001 1.00 0.00 O ATOM 1153 CB TRP A 76 -5.381 4.285 -7.940 1.00 0.00 C ATOM 1154 CG TRP A 76 -5.152 2.808 -7.840 1.00 0.00 C ATOM 1155 CD1 TRP A 76 -3.986 2.180 -7.501 1.00 0.00 C ATOM 1156 CD2 TRP A 76 -6.110 1.773 -8.082 1.00 0.00 C ATOM 1157 NE1 TRP A 76 -4.163 0.817 -7.519 1.00 0.00 N ATOM 1158 CE2 TRP A 76 -5.458 0.542 -7.871 1.00 0.00 C ATOM 1159 CE3 TRP A 76 -7.457 1.766 -8.456 1.00 0.00 C ATOM 1160 CZ2 TRP A 76 -6.108 -0.680 -8.024 1.00 0.00 C ATOM 1161 CZ3 TRP A 76 -8.100 0.552 -8.606 1.00 0.00 C ATOM 1162 CH2 TRP A 76 -7.426 -0.658 -8.389 1.00 0.00 C ATOM 0 H TRP A 76 -3.513 4.342 -9.647 1.00 0.00 H new ATOM 0 HA TRP A 76 -6.423 4.301 -9.818 1.00 0.00 H new ATOM 0 HB2 TRP A 76 -4.542 4.807 -7.480 1.00 0.00 H new ATOM 0 HB3 TRP A 76 -6.272 4.547 -7.369 1.00 0.00 H new ATOM 0 HD1 TRP A 76 -3.061 2.681 -7.255 1.00 0.00 H new ATOM 0 HE1 TRP A 76 -3.447 0.123 -7.305 1.00 0.00 H new ATOM 0 HE3 TRP A 76 -7.986 2.693 -8.625 1.00 0.00 H new ATOM 0 HZ2 TRP A 76 -5.589 -1.613 -7.860 1.00 0.00 H new ATOM 0 HZ3 TRP A 76 -9.140 0.535 -8.896 1.00 0.00 H new ATOM 0 HH2 TRP A 76 -7.957 -1.590 -8.512 1.00 0.00 H new ATOM 1173 N ALA A 77 -4.877 7.011 -8.715 1.00 0.00 N ATOM 1174 CA ALA A 77 -4.970 8.465 -8.651 1.00 0.00 C ATOM 1175 C ALA A 77 -4.459 9.104 -9.937 1.00 0.00 C ATOM 1176 O ALA A 77 -5.237 9.629 -10.733 1.00 0.00 O ATOM 1177 CB ALA A 77 -4.194 8.991 -7.453 1.00 0.00 C ATOM 0 H ALA A 77 -4.088 6.616 -8.204 1.00 0.00 H new ATOM 0 HA ALA A 77 -6.020 8.733 -8.535 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -4.272 10.078 -7.418 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -4.607 8.567 -6.538 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -3.146 8.705 -7.544 1.00 0.00 H new ATOM 1183 N GLY A 78 -3.145 9.058 -10.135 1.00 0.00 N ATOM 1184 CA GLY A 78 -2.552 9.637 -11.325 1.00 0.00 C ATOM 1185 C GLY A 78 -1.170 10.204 -11.069 1.00 0.00 C ATOM 1186 O GLY A 78 -0.174 9.480 -11.040 1.00 0.00 O ATOM 0 H GLY A 78 -2.480 8.629 -9.491 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -2.490 8.876 -12.103 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -3.201 10.427 -11.703 1.00 0.00 H new ATOM 1190 N PRO A 79 -1.096 11.530 -10.878 1.00 0.00 N ATOM 1191 CA PRO A 79 0.170 12.223 -10.620 1.00 0.00 C ATOM 1192 C PRO A 79 0.742 11.893 -9.244 1.00 0.00 C ATOM 1193 O PRO A 79 0.216 12.333 -8.221 1.00 0.00 O ATOM 1194 CB PRO A 79 -0.212 13.702 -10.699 1.00 0.00 C ATOM 1195 CG PRO A 79 -1.664 13.736 -10.366 1.00 0.00 C ATOM 1196 CD PRO A 79 -2.241 12.454 -10.898 1.00 0.00 C ATOM 0 HA PRO A 79 0.946 11.931 -11.328 1.00 0.00 H new ATOM 0 HB2 PRO A 79 0.369 14.299 -9.997 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -0.024 14.107 -11.693 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -1.816 13.815 -9.290 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -2.148 14.600 -10.821 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -3.060 12.093 -10.275 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -2.638 12.580 -11.905 1.00 0.00 H new ATOM 1204 N LEU A 80 1.821 11.118 -9.227 1.00 0.00 N ATOM 1205 CA LEU A 80 2.465 10.731 -7.977 1.00 0.00 C ATOM 1206 C LEU A 80 3.915 11.201 -7.943 1.00 0.00 C ATOM 1207 O LEU A 80 4.672 11.027 -8.898 1.00 0.00 O ATOM 1208 CB LEU A 80 2.403 9.213 -7.798 1.00 0.00 C ATOM 1209 CG LEU A 80 1.178 8.672 -7.060 1.00 0.00 C ATOM 1210 CD1 LEU A 80 1.163 9.160 -5.620 1.00 0.00 C ATOM 1211 CD2 LEU A 80 -0.100 9.081 -7.778 1.00 0.00 C ATOM 0 H LEU A 80 2.268 10.745 -10.065 1.00 0.00 H new ATOM 0 HA LEU A 80 1.929 11.209 -7.157 1.00 0.00 H new ATOM 0 HB2 LEU A 80 2.442 8.749 -8.784 1.00 0.00 H new ATOM 0 HB3 LEU A 80 3.296 8.894 -7.260 1.00 0.00 H new ATOM 0 HG LEU A 80 1.234 7.583 -7.051 1.00 0.00 H new ATOM 0 HD11 LEU A 80 0.284 8.765 -5.111 1.00 0.00 H new ATOM 0 HD12 LEU A 80 2.063 8.816 -5.110 1.00 0.00 H new ATOM 0 HD13 LEU A 80 1.131 10.249 -5.605 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -0.962 8.688 -7.239 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -0.163 10.168 -7.818 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -0.092 8.680 -8.792 1.00 0.00 H new ATOM 1223 N PRO A 81 4.314 11.808 -6.815 1.00 0.00 N ATOM 1224 CA PRO A 81 5.677 12.313 -6.628 1.00 0.00 C ATOM 1225 C PRO A 81 6.700 11.189 -6.500 1.00 0.00 C ATOM 1226 O PRO A 81 6.340 10.012 -6.457 1.00 0.00 O ATOM 1227 CB PRO A 81 5.587 13.104 -5.321 1.00 0.00 C ATOM 1228 CG PRO A 81 4.445 12.491 -4.585 1.00 0.00 C ATOM 1229 CD PRO A 81 3.465 12.048 -5.636 1.00 0.00 C ATOM 0 HA PRO A 81 6.011 12.906 -7.479 1.00 0.00 H new ATOM 0 HB2 PRO A 81 6.512 13.030 -4.749 1.00 0.00 H new ATOM 0 HB3 PRO A 81 5.413 14.163 -5.510 1.00 0.00 H new ATOM 0 HG2 PRO A 81 4.778 11.647 -3.981 1.00 0.00 H new ATOM 0 HG3 PRO A 81 3.989 13.210 -3.904 1.00 0.00 H new ATOM 0 HD2 PRO A 81 2.932 11.146 -5.334 1.00 0.00 H new ATOM 0 HD3 PRO A 81 2.713 12.812 -5.831 1.00 0.00 H new ATOM 1237 N ALA A 82 7.975 11.558 -6.439 1.00 0.00 N ATOM 1238 CA ALA A 82 9.049 10.580 -6.313 1.00 0.00 C ATOM 1239 C ALA A 82 9.831 10.787 -5.020 1.00 0.00 C ATOM 1240 O ALA A 82 10.012 9.854 -4.236 1.00 0.00 O ATOM 1241 CB ALA A 82 9.979 10.661 -7.514 1.00 0.00 C ATOM 0 H ALA A 82 8.290 12.528 -6.475 1.00 0.00 H new ATOM 0 HA ALA A 82 8.601 9.587 -6.280 1.00 0.00 H new ATOM 0 HB1 ALA A 82 10.776 9.925 -7.407 1.00 0.00 H new ATOM 0 HB2 ALA A 82 9.416 10.456 -8.425 1.00 0.00 H new ATOM 0 HB3 ALA A 82 10.412 11.660 -7.572 1.00 0.00 H new ATOM 1247 N THR A 83 10.293 12.014 -4.804 1.00 0.00 N ATOM 1248 CA THR A 83 11.057 12.343 -3.606 1.00 0.00 C ATOM 1249 C THR A 83 10.194 12.231 -2.355 1.00 0.00 C ATOM 1250 O THR A 83 10.582 11.593 -1.376 1.00 0.00 O ATOM 1251 CB THR A 83 11.643 13.765 -3.687 1.00 0.00 C ATOM 1252 OG1 THR A 83 12.486 13.883 -4.838 1.00 0.00 O ATOM 1253 CG2 THR A 83 12.439 14.094 -2.434 1.00 0.00 C ATOM 0 H THR A 83 10.152 12.797 -5.443 1.00 0.00 H new ATOM 0 HA THR A 83 11.874 11.624 -3.545 1.00 0.00 H new ATOM 0 HB THR A 83 10.816 14.470 -3.769 1.00 0.00 H new ATOM 0 HG1 THR A 83 12.853 14.791 -4.883 1.00 0.00 H new ATOM 0 HG21 THR A 83 12.843 15.103 -2.514 1.00 0.00 H new ATOM 0 HG22 THR A 83 11.787 14.032 -1.562 1.00 0.00 H new ATOM 0 HG23 THR A 83 13.258 13.383 -2.326 1.00 0.00 H new ATOM 1261 N HIS A 84 9.020 12.854 -2.393 1.00 0.00 N ATOM 1262 CA HIS A 84 8.101 12.824 -1.261 1.00 0.00 C ATOM 1263 C HIS A 84 8.048 11.430 -0.642 1.00 0.00 C ATOM 1264 O HIS A 84 8.070 11.281 0.580 1.00 0.00 O ATOM 1265 CB HIS A 84 6.701 13.251 -1.702 1.00 0.00 C ATOM 1266 CG HIS A 84 6.574 14.722 -1.948 1.00 0.00 C ATOM 1267 ND1 HIS A 84 6.314 15.633 -0.947 1.00 0.00 N ATOM 1268 CD2 HIS A 84 6.674 15.441 -3.091 1.00 0.00 C ATOM 1269 CE1 HIS A 84 6.257 16.848 -1.462 1.00 0.00 C ATOM 1270 NE2 HIS A 84 6.474 16.760 -2.762 1.00 0.00 N ATOM 0 H HIS A 84 8.683 13.386 -3.196 1.00 0.00 H new ATOM 0 HA HIS A 84 8.466 13.524 -0.509 1.00 0.00 H new ATOM 0 HB2 HIS A 84 6.436 12.714 -2.613 1.00 0.00 H new ATOM 0 HB3 HIS A 84 5.982 12.955 -0.938 1.00 0.00 H new ATOM 0 HD2 HIS A 84 6.874 15.050 -4.078 1.00 0.00 H new ATOM 0 HE1 HIS A 84 6.066 17.758 -0.914 1.00 0.00 H new ATOM 0 HE2 HIS A 84 6.490 17.543 -3.415 1.00 0.00 H new ATOM 1279 N LEU A 85 7.979 10.412 -1.493 1.00 0.00 N ATOM 1280 CA LEU A 85 7.923 9.030 -1.029 1.00 0.00 C ATOM 1281 C LEU A 85 9.057 8.737 -0.052 1.00 0.00 C ATOM 1282 O LEU A 85 10.208 9.099 -0.296 1.00 0.00 O ATOM 1283 CB LEU A 85 7.996 8.069 -2.217 1.00 0.00 C ATOM 1284 CG LEU A 85 8.169 6.589 -1.873 1.00 0.00 C ATOM 1285 CD1 LEU A 85 7.028 6.110 -0.990 1.00 0.00 C ATOM 1286 CD2 LEU A 85 8.250 5.753 -3.143 1.00 0.00 C ATOM 0 H LEU A 85 7.960 10.517 -2.507 1.00 0.00 H new ATOM 0 HA LEU A 85 6.975 8.885 -0.510 1.00 0.00 H new ATOM 0 HB2 LEU A 85 7.085 8.181 -2.806 1.00 0.00 H new ATOM 0 HB3 LEU A 85 8.827 8.373 -2.854 1.00 0.00 H new ATOM 0 HG LEU A 85 9.102 6.470 -1.322 1.00 0.00 H new ATOM 0 HD11 LEU A 85 7.168 5.055 -0.755 1.00 0.00 H new ATOM 0 HD12 LEU A 85 7.015 6.689 -0.066 1.00 0.00 H new ATOM 0 HD13 LEU A 85 6.082 6.243 -1.514 1.00 0.00 H new ATOM 0 HD21 LEU A 85 8.373 4.702 -2.880 1.00 0.00 H new ATOM 0 HD22 LEU A 85 7.334 5.878 -3.720 1.00 0.00 H new ATOM 0 HD23 LEU A 85 9.102 6.080 -3.740 1.00 0.00 H new ATOM 1298 N ARG A 86 8.725 8.077 1.053 1.00 0.00 N ATOM 1299 CA ARG A 86 9.715 7.734 2.066 1.00 0.00 C ATOM 1300 C ARG A 86 9.270 6.517 2.871 1.00 0.00 C ATOM 1301 O ARG A 86 8.107 6.406 3.258 1.00 0.00 O ATOM 1302 CB ARG A 86 9.951 8.921 3.001 1.00 0.00 C ATOM 1303 CG ARG A 86 11.013 9.887 2.504 1.00 0.00 C ATOM 1304 CD ARG A 86 11.146 11.090 3.424 1.00 0.00 C ATOM 1305 NE ARG A 86 11.904 12.174 2.803 1.00 0.00 N ATOM 1306 CZ ARG A 86 12.455 13.170 3.485 1.00 0.00 C ATOM 1307 NH1 ARG A 86 12.336 13.221 4.804 1.00 0.00 N ATOM 1308 NH2 ARG A 86 13.129 14.119 2.848 1.00 0.00 N ATOM 0 H ARG A 86 7.777 7.769 1.269 1.00 0.00 H new ATOM 0 HA ARG A 86 10.648 7.490 1.559 1.00 0.00 H new ATOM 0 HB2 ARG A 86 9.013 9.461 3.132 1.00 0.00 H new ATOM 0 HB3 ARG A 86 10.243 8.547 3.982 1.00 0.00 H new ATOM 0 HG2 ARG A 86 11.971 9.372 2.436 1.00 0.00 H new ATOM 0 HG3 ARG A 86 10.759 10.223 1.499 1.00 0.00 H new ATOM 0 HD2 ARG A 86 10.154 11.451 3.695 1.00 0.00 H new ATOM 0 HD3 ARG A 86 11.638 10.787 4.348 1.00 0.00 H new ATOM 0 HE ARG A 86 12.016 12.165 1.789 1.00 0.00 H new ATOM 0 HH11 ARG A 86 11.820 12.493 5.298 1.00 0.00 H new ATOM 0 HH12 ARG A 86 12.761 13.988 5.325 1.00 0.00 H new ATOM 0 HH21 ARG A 86 13.224 14.083 1.833 1.00 0.00 H new ATOM 0 HH22 ARG A 86 13.552 14.884 3.373 1.00 0.00 H new ATOM 1322 N HIS A 87 10.204 5.605 3.121 1.00 0.00 N ATOM 1323 CA HIS A 87 9.909 4.395 3.881 1.00 0.00 C ATOM 1324 C HIS A 87 9.782 4.707 5.370 1.00 0.00 C ATOM 1325 O HIS A 87 10.698 5.263 5.978 1.00 0.00 O ATOM 1326 CB HIS A 87 11.000 3.347 3.658 1.00 0.00 C ATOM 1327 CG HIS A 87 10.973 2.233 4.658 1.00 0.00 C ATOM 1328 ND1 HIS A 87 11.768 2.215 5.785 1.00 0.00 N ATOM 1329 CD2 HIS A 87 10.241 1.095 4.697 1.00 0.00 C ATOM 1330 CE1 HIS A 87 11.526 1.114 6.474 1.00 0.00 C ATOM 1331 NE2 HIS A 87 10.604 0.417 5.835 1.00 0.00 N ATOM 0 H HIS A 87 11.172 5.681 2.808 1.00 0.00 H new ATOM 0 HA HIS A 87 8.958 3.997 3.528 1.00 0.00 H new ATOM 0 HB2 HIS A 87 10.892 2.929 2.657 1.00 0.00 H new ATOM 0 HB3 HIS A 87 11.974 3.835 3.696 1.00 0.00 H new ATOM 0 HD2 HIS A 87 9.508 0.779 3.969 1.00 0.00 H new ATOM 0 HE1 HIS A 87 12.001 0.832 7.402 1.00 0.00 H new ATOM 0 HE2 HIS A 87 10.223 -0.480 6.138 1.00 0.00 H new ATOM 1340 N LEU A 88 8.644 4.345 5.950 1.00 0.00 N ATOM 1341 CA LEU A 88 8.398 4.586 7.368 1.00 0.00 C ATOM 1342 C LEU A 88 7.949 3.308 8.068 1.00 0.00 C ATOM 1343 O LEU A 88 6.759 2.999 8.115 1.00 0.00 O ATOM 1344 CB LEU A 88 7.339 5.676 7.543 1.00 0.00 C ATOM 1345 CG LEU A 88 7.562 6.963 6.749 1.00 0.00 C ATOM 1346 CD1 LEU A 88 6.439 7.953 7.009 1.00 0.00 C ATOM 1347 CD2 LEU A 88 8.910 7.579 7.096 1.00 0.00 C ATOM 0 H LEU A 88 7.877 3.884 5.461 1.00 0.00 H new ATOM 0 HA LEU A 88 9.332 4.918 7.822 1.00 0.00 H new ATOM 0 HB2 LEU A 88 6.371 5.262 7.261 1.00 0.00 H new ATOM 0 HB3 LEU A 88 7.281 5.931 8.601 1.00 0.00 H new ATOM 0 HG LEU A 88 7.561 6.715 5.687 1.00 0.00 H new ATOM 0 HD11 LEU A 88 6.616 8.863 6.435 1.00 0.00 H new ATOM 0 HD12 LEU A 88 5.489 7.513 6.708 1.00 0.00 H new ATOM 0 HD13 LEU A 88 6.406 8.195 8.071 1.00 0.00 H new ATOM 0 HD21 LEU A 88 9.051 8.494 6.521 1.00 0.00 H new ATOM 0 HD22 LEU A 88 8.941 7.811 8.161 1.00 0.00 H new ATOM 0 HD23 LEU A 88 9.705 6.873 6.855 1.00 0.00 H new ATOM 1359 N GLY A 89 8.909 2.569 8.613 1.00 0.00 N ATOM 1360 CA GLY A 89 8.593 1.333 9.305 1.00 0.00 C ATOM 1361 C GLY A 89 8.241 0.208 8.352 1.00 0.00 C ATOM 1362 O GLY A 89 8.371 0.353 7.137 1.00 0.00 O ATOM 0 H GLY A 89 9.901 2.804 8.588 1.00 0.00 H new ATOM 0 HA2 GLY A 89 9.445 1.034 9.916 1.00 0.00 H new ATOM 0 HA3 GLY A 89 7.758 1.504 9.984 1.00 0.00 H new ATOM 1366 N GLU A 90 7.795 -0.916 8.904 1.00 0.00 N ATOM 1367 CA GLU A 90 7.427 -2.070 8.094 1.00 0.00 C ATOM 1368 C GLU A 90 6.328 -2.884 8.773 1.00 0.00 C ATOM 1369 O GLU A 90 5.984 -2.639 9.930 1.00 0.00 O ATOM 1370 CB GLU A 90 8.648 -2.955 7.840 1.00 0.00 C ATOM 1371 CG GLU A 90 9.033 -3.818 9.030 1.00 0.00 C ATOM 1372 CD GLU A 90 9.489 -2.999 10.222 1.00 0.00 C ATOM 1373 OE1 GLU A 90 10.482 -2.253 10.083 1.00 0.00 O ATOM 1374 OE2 GLU A 90 8.854 -3.103 11.291 1.00 0.00 O ATOM 0 H GLU A 90 7.680 -1.051 9.908 1.00 0.00 H new ATOM 0 HA GLU A 90 7.048 -1.704 7.140 1.00 0.00 H new ATOM 0 HB2 GLU A 90 8.447 -3.600 6.984 1.00 0.00 H new ATOM 0 HB3 GLU A 90 9.495 -2.323 7.571 1.00 0.00 H new ATOM 0 HG2 GLU A 90 8.180 -4.431 9.320 1.00 0.00 H new ATOM 0 HG3 GLU A 90 9.831 -4.500 8.736 1.00 0.00 H new ATOM 1381 N VAL A 91 5.781 -3.852 8.045 1.00 0.00 N ATOM 1382 CA VAL A 91 4.723 -4.703 8.576 1.00 0.00 C ATOM 1383 C VAL A 91 4.923 -6.155 8.159 1.00 0.00 C ATOM 1384 O VAL A 91 4.698 -6.518 7.005 1.00 0.00 O ATOM 1385 CB VAL A 91 3.335 -4.232 8.104 1.00 0.00 C ATOM 1386 CG1 VAL A 91 2.262 -5.227 8.521 1.00 0.00 C ATOM 1387 CG2 VAL A 91 3.028 -2.846 8.653 1.00 0.00 C ATOM 0 H VAL A 91 6.053 -4.066 7.086 1.00 0.00 H new ATOM 0 HA VAL A 91 4.774 -4.630 9.662 1.00 0.00 H new ATOM 0 HB VAL A 91 3.341 -4.175 7.016 1.00 0.00 H new ATOM 0 HG11 VAL A 91 1.288 -4.877 8.179 1.00 0.00 H new ATOM 0 HG12 VAL A 91 2.475 -6.199 8.077 1.00 0.00 H new ATOM 0 HG13 VAL A 91 2.253 -5.319 9.607 1.00 0.00 H new ATOM 0 HG21 VAL A 91 2.043 -2.529 8.310 1.00 0.00 H new ATOM 0 HG22 VAL A 91 3.040 -2.875 9.743 1.00 0.00 H new ATOM 0 HG23 VAL A 91 3.780 -2.140 8.300 1.00 0.00 H new ATOM 1397 N VAL A 92 5.348 -6.984 9.109 1.00 0.00 N ATOM 1398 CA VAL A 92 5.578 -8.399 8.841 1.00 0.00 C ATOM 1399 C VAL A 92 4.708 -9.276 9.734 1.00 0.00 C ATOM 1400 O VAL A 92 5.004 -9.464 10.914 1.00 0.00 O ATOM 1401 CB VAL A 92 7.056 -8.777 9.051 1.00 0.00 C ATOM 1402 CG1 VAL A 92 7.248 -10.280 8.914 1.00 0.00 C ATOM 1403 CG2 VAL A 92 7.943 -8.027 8.068 1.00 0.00 C ATOM 0 H VAL A 92 5.540 -6.700 10.070 1.00 0.00 H new ATOM 0 HA VAL A 92 5.312 -8.571 7.798 1.00 0.00 H new ATOM 0 HB VAL A 92 7.346 -8.488 10.061 1.00 0.00 H new ATOM 0 HG11 VAL A 92 8.299 -10.528 9.066 1.00 0.00 H new ATOM 0 HG12 VAL A 92 6.643 -10.794 9.661 1.00 0.00 H new ATOM 0 HG13 VAL A 92 6.941 -10.597 7.917 1.00 0.00 H new ATOM 0 HG21 VAL A 92 8.984 -8.306 8.231 1.00 0.00 H new ATOM 0 HG22 VAL A 92 7.654 -8.283 7.049 1.00 0.00 H new ATOM 0 HG23 VAL A 92 7.827 -6.954 8.219 1.00 0.00 H new ATOM 1413 N HIS A 93 3.633 -9.811 9.163 1.00 0.00 N ATOM 1414 CA HIS A 93 2.720 -10.670 9.908 1.00 0.00 C ATOM 1415 C HIS A 93 3.025 -12.141 9.648 1.00 0.00 C ATOM 1416 O HIS A 93 2.765 -12.658 8.560 1.00 0.00 O ATOM 1417 CB HIS A 93 1.272 -10.362 9.527 1.00 0.00 C ATOM 1418 CG HIS A 93 0.264 -11.070 10.379 1.00 0.00 C ATOM 1419 ND1 HIS A 93 -0.400 -12.234 10.182 1.00 0.00 N flip ATOM 1420 CD2 HIS A 93 -0.166 -10.585 11.596 1.00 0.00 C flip ATOM 1421 CE1 HIS A 93 -1.210 -12.428 11.274 1.00 0.00 C flip ATOM 1422 NE2 HIS A 93 -1.050 -11.420 12.112 1.00 0.00 N flip ATOM 0 H HIS A 93 3.373 -9.665 8.188 1.00 0.00 H new ATOM 0 HA HIS A 93 2.858 -10.471 10.971 1.00 0.00 H new ATOM 0 HB2 HIS A 93 1.107 -9.287 9.601 1.00 0.00 H new ATOM 0 HB3 HIS A 93 1.113 -10.638 8.485 1.00 0.00 H new ATOM 0 HD1 HIS A 93 -0.314 -12.851 9.374 1.00 0.00 H new ATOM 0 HD2 HIS A 93 0.168 -9.666 12.055 1.00 0.00 H new ATOM 0 HE1 HIS A 93 -1.871 -13.269 11.423 1.00 0.00 H new ATOM 1431 N THR A 94 3.578 -12.814 10.654 1.00 0.00 N ATOM 1432 CA THR A 94 3.920 -14.224 10.533 1.00 0.00 C ATOM 1433 C THR A 94 2.698 -15.108 10.759 1.00 0.00 C ATOM 1434 O THR A 94 2.215 -15.241 11.883 1.00 0.00 O ATOM 1435 CB THR A 94 5.019 -14.624 11.535 1.00 0.00 C ATOM 1436 OG1 THR A 94 6.153 -13.761 11.388 1.00 0.00 O ATOM 1437 CG2 THR A 94 5.445 -16.069 11.325 1.00 0.00 C ATOM 0 H THR A 94 3.798 -12.403 11.561 1.00 0.00 H new ATOM 0 HA THR A 94 4.291 -14.372 9.519 1.00 0.00 H new ATOM 0 HB THR A 94 4.614 -14.525 12.542 1.00 0.00 H new ATOM 0 HG1 THR A 94 6.847 -14.020 12.030 1.00 0.00 H new ATOM 0 HG21 THR A 94 6.222 -16.328 12.045 1.00 0.00 H new ATOM 0 HG22 THR A 94 4.587 -16.726 11.466 1.00 0.00 H new ATOM 0 HG23 THR A 94 5.832 -16.191 10.313 1.00 0.00 H new ATOM 1445 N PHE A 95 2.203 -15.710 9.682 1.00 0.00 N ATOM 1446 CA PHE A 95 1.035 -16.582 9.763 1.00 0.00 C ATOM 1447 C PHE A 95 1.435 -17.986 10.204 1.00 0.00 C ATOM 1448 O PHE A 95 2.615 -18.273 10.408 1.00 0.00 O ATOM 1449 CB PHE A 95 0.324 -16.642 8.410 1.00 0.00 C ATOM 1450 CG PHE A 95 -0.310 -15.340 8.007 1.00 0.00 C ATOM 1451 CD1 PHE A 95 -1.554 -14.979 8.496 1.00 0.00 C ATOM 1452 CD2 PHE A 95 0.342 -14.478 7.139 1.00 0.00 C ATOM 1453 CE1 PHE A 95 -2.140 -13.783 8.126 1.00 0.00 C ATOM 1454 CE2 PHE A 95 -0.238 -13.280 6.766 1.00 0.00 C ATOM 1455 CZ PHE A 95 -1.480 -12.931 7.261 1.00 0.00 C ATOM 0 H PHE A 95 2.591 -15.611 8.744 1.00 0.00 H new ATOM 0 HA PHE A 95 0.353 -16.168 10.506 1.00 0.00 H new ATOM 0 HB2 PHE A 95 1.041 -16.940 7.645 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -0.444 -17.415 8.446 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -2.073 -15.640 9.175 1.00 0.00 H new ATOM 0 HD2 PHE A 95 1.313 -14.745 6.750 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -3.112 -13.515 8.512 1.00 0.00 H new ATOM 0 HE2 PHE A 95 0.279 -12.617 6.088 1.00 0.00 H new ATOM 0 HZ PHE A 95 -1.934 -11.994 6.973 1.00 0.00 H new ATOM 1465 N SER A 96 0.443 -18.860 10.348 1.00 0.00 N ATOM 1466 CA SER A 96 0.690 -20.234 10.768 1.00 0.00 C ATOM 1467 C SER A 96 1.809 -20.861 9.944 1.00 0.00 C ATOM 1468 O SER A 96 2.902 -21.116 10.451 1.00 0.00 O ATOM 1469 CB SER A 96 -0.586 -21.066 10.634 1.00 0.00 C ATOM 1470 OG SER A 96 -0.304 -22.452 10.737 1.00 0.00 O ATOM 0 H SER A 96 -0.539 -18.640 10.180 1.00 0.00 H new ATOM 0 HA SER A 96 0.998 -20.219 11.813 1.00 0.00 H new ATOM 0 HB2 SER A 96 -1.295 -20.777 11.410 1.00 0.00 H new ATOM 0 HB3 SER A 96 -1.060 -20.858 9.675 1.00 0.00 H new ATOM 0 HG SER A 96 -1.136 -22.962 10.650 1.00 0.00 H new ATOM 1476 N HIS A 97 1.530 -21.108 8.668 1.00 0.00 N ATOM 1477 CA HIS A 97 2.513 -21.706 7.772 1.00 0.00 C ATOM 1478 C HIS A 97 2.849 -20.757 6.624 1.00 0.00 C ATOM 1479 O HIS A 97 3.187 -21.195 5.523 1.00 0.00 O ATOM 1480 CB HIS A 97 1.990 -23.031 7.217 1.00 0.00 C ATOM 1481 CG HIS A 97 0.919 -22.866 6.183 1.00 0.00 C ATOM 1482 ND1 HIS A 97 0.039 -21.859 5.972 1.00 0.00 N flip ATOM 1483 CD2 HIS A 97 0.657 -23.812 5.214 1.00 0.00 C flip ATOM 1484 CE1 HIS A 97 -0.729 -22.210 4.889 1.00 0.00 C flip ATOM 1485 NE2 HIS A 97 -0.336 -23.392 4.449 1.00 0.00 N flip ATOM 0 H HIS A 97 0.631 -20.903 8.231 1.00 0.00 H new ATOM 0 HA HIS A 97 3.422 -21.894 8.343 1.00 0.00 H new ATOM 0 HB2 HIS A 97 2.821 -23.587 6.782 1.00 0.00 H new ATOM 0 HB3 HIS A 97 1.601 -23.631 8.039 1.00 0.00 H new ATOM 0 HD2 HIS A 97 1.181 -24.749 5.098 1.00 0.00 H new ATOM 0 HE1 HIS A 97 -1.525 -21.616 4.466 1.00 0.00 H new ATOM 0 HE2 HIS A 97 -0.731 -23.895 3.654 1.00 0.00 H new ATOM 1494 N ILE A 98 2.754 -19.459 6.889 1.00 0.00 N ATOM 1495 CA ILE A 98 3.047 -18.451 5.879 1.00 0.00 C ATOM 1496 C ILE A 98 3.656 -17.203 6.508 1.00 0.00 C ATOM 1497 O ILE A 98 3.295 -16.815 7.620 1.00 0.00 O ATOM 1498 CB ILE A 98 1.782 -18.053 5.096 1.00 0.00 C ATOM 1499 CG1 ILE A 98 1.236 -19.254 4.322 1.00 0.00 C ATOM 1500 CG2 ILE A 98 2.086 -16.900 4.150 1.00 0.00 C ATOM 1501 CD1 ILE A 98 -0.214 -19.102 3.918 1.00 0.00 C ATOM 0 H ILE A 98 2.476 -19.081 7.795 1.00 0.00 H new ATOM 0 HA ILE A 98 3.765 -18.895 5.190 1.00 0.00 H new ATOM 0 HB ILE A 98 1.022 -17.725 5.805 1.00 0.00 H new ATOM 0 HG12 ILE A 98 1.840 -19.405 3.428 1.00 0.00 H new ATOM 0 HG13 ILE A 98 1.343 -20.150 4.934 1.00 0.00 H new ATOM 0 HG21 ILE A 98 1.182 -16.630 3.604 1.00 0.00 H new ATOM 0 HG22 ILE A 98 2.434 -16.041 4.724 1.00 0.00 H new ATOM 0 HG23 ILE A 98 2.860 -17.203 3.445 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -0.535 -19.990 3.373 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -0.829 -18.981 4.810 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -0.324 -18.225 3.280 1.00 0.00 H new ATOM 1513 N LYS A 99 4.582 -16.575 5.791 1.00 0.00 N ATOM 1514 CA LYS A 99 5.239 -15.368 6.277 1.00 0.00 C ATOM 1515 C LYS A 99 5.157 -14.250 5.242 1.00 0.00 C ATOM 1516 O LYS A 99 5.704 -14.364 4.145 1.00 0.00 O ATOM 1517 CB LYS A 99 6.705 -15.660 6.612 1.00 0.00 C ATOM 1518 CG LYS A 99 7.252 -14.808 7.743 1.00 0.00 C ATOM 1519 CD LYS A 99 7.477 -13.371 7.299 1.00 0.00 C ATOM 1520 CE LYS A 99 8.879 -13.171 6.747 1.00 0.00 C ATOM 1521 NZ LYS A 99 8.965 -13.532 5.305 1.00 0.00 N ATOM 0 H LYS A 99 4.894 -16.883 4.870 1.00 0.00 H new ATOM 0 HA LYS A 99 4.723 -15.042 7.180 1.00 0.00 H new ATOM 0 HB2 LYS A 99 6.805 -16.712 6.880 1.00 0.00 H new ATOM 0 HB3 LYS A 99 7.312 -15.499 5.721 1.00 0.00 H new ATOM 0 HG2 LYS A 99 6.557 -14.826 8.583 1.00 0.00 H new ATOM 0 HG3 LYS A 99 8.192 -15.232 8.098 1.00 0.00 H new ATOM 0 HD2 LYS A 99 6.744 -13.105 6.537 1.00 0.00 H new ATOM 0 HD3 LYS A 99 7.318 -12.699 8.143 1.00 0.00 H new ATOM 0 HE2 LYS A 99 9.176 -12.131 6.879 1.00 0.00 H new ATOM 0 HE3 LYS A 99 9.583 -13.778 7.316 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 9.526 -12.816 4.801 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 9.421 -14.462 5.206 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 8.008 -13.571 4.899 1.00 0.00 H new ATOM 1535 N LEU A 100 4.473 -13.169 5.600 1.00 0.00 N ATOM 1536 CA LEU A 100 4.320 -12.028 4.704 1.00 0.00 C ATOM 1537 C LEU A 100 5.239 -10.884 5.117 1.00 0.00 C ATOM 1538 O LEU A 100 5.495 -10.676 6.304 1.00 0.00 O ATOM 1539 CB LEU A 100 2.866 -11.553 4.695 1.00 0.00 C ATOM 1540 CG LEU A 100 1.962 -12.177 3.631 1.00 0.00 C ATOM 1541 CD1 LEU A 100 2.365 -11.703 2.244 1.00 0.00 C ATOM 1542 CD2 LEU A 100 2.011 -13.695 3.714 1.00 0.00 C ATOM 0 H LEU A 100 4.015 -13.059 6.505 1.00 0.00 H new ATOM 0 HA LEU A 100 4.597 -12.347 3.699 1.00 0.00 H new ATOM 0 HB2 LEU A 100 2.433 -11.755 5.675 1.00 0.00 H new ATOM 0 HB3 LEU A 100 2.859 -10.471 4.560 1.00 0.00 H new ATOM 0 HG LEU A 100 0.937 -11.856 3.818 1.00 0.00 H new ATOM 0 HD11 LEU A 100 1.711 -12.157 1.500 1.00 0.00 H new ATOM 0 HD12 LEU A 100 2.277 -10.618 2.190 1.00 0.00 H new ATOM 0 HD13 LEU A 100 3.397 -11.993 2.046 1.00 0.00 H new ATOM 0 HD21 LEU A 100 1.362 -14.122 2.950 1.00 0.00 H new ATOM 0 HD22 LEU A 100 3.034 -14.035 3.553 1.00 0.00 H new ATOM 0 HD23 LEU A 100 1.672 -14.017 4.699 1.00 0.00 H new ATOM 1554 N THR A 101 5.732 -10.141 4.131 1.00 0.00 N ATOM 1555 CA THR A 101 6.622 -9.017 4.393 1.00 0.00 C ATOM 1556 C THR A 101 6.186 -7.780 3.617 1.00 0.00 C ATOM 1557 O THR A 101 6.503 -7.631 2.437 1.00 0.00 O ATOM 1558 CB THR A 101 8.078 -9.356 4.020 1.00 0.00 C ATOM 1559 OG1 THR A 101 8.532 -10.476 4.786 1.00 0.00 O ATOM 1560 CG2 THR A 101 8.990 -8.163 4.268 1.00 0.00 C ATOM 0 H THR A 101 5.530 -10.298 3.144 1.00 0.00 H new ATOM 0 HA THR A 101 6.567 -8.811 5.462 1.00 0.00 H new ATOM 0 HB THR A 101 8.110 -9.605 2.959 1.00 0.00 H new ATOM 0 HG1 THR A 101 9.458 -10.686 4.542 1.00 0.00 H new ATOM 0 HG21 THR A 101 10.013 -8.425 3.998 1.00 0.00 H new ATOM 0 HG22 THR A 101 8.659 -7.320 3.662 1.00 0.00 H new ATOM 0 HG23 THR A 101 8.952 -7.889 5.322 1.00 0.00 H new ATOM 1568 N TYR A 102 5.458 -6.894 4.287 1.00 0.00 N ATOM 1569 CA TYR A 102 4.977 -5.668 3.660 1.00 0.00 C ATOM 1570 C TYR A 102 5.876 -4.487 4.011 1.00 0.00 C ATOM 1571 O TYR A 102 6.406 -4.404 5.118 1.00 0.00 O ATOM 1572 CB TYR A 102 3.540 -5.377 4.098 1.00 0.00 C ATOM 1573 CG TYR A 102 2.515 -6.282 3.453 1.00 0.00 C ATOM 1574 CD1 TYR A 102 2.387 -7.610 3.844 1.00 0.00 C ATOM 1575 CD2 TYR A 102 1.674 -5.810 2.453 1.00 0.00 C ATOM 1576 CE1 TYR A 102 1.452 -8.439 3.256 1.00 0.00 C ATOM 1577 CE2 TYR A 102 0.735 -6.633 1.861 1.00 0.00 C ATOM 1578 CZ TYR A 102 0.629 -7.947 2.266 1.00 0.00 C ATOM 1579 OH TYR A 102 -0.305 -8.772 1.680 1.00 0.00 O ATOM 0 H TYR A 102 5.188 -7.002 5.265 1.00 0.00 H new ATOM 0 HA TYR A 102 5.000 -5.810 2.579 1.00 0.00 H new ATOM 0 HB2 TYR A 102 3.472 -5.479 5.181 1.00 0.00 H new ATOM 0 HB3 TYR A 102 3.299 -4.341 3.859 1.00 0.00 H new ATOM 0 HD1 TYR A 102 3.029 -8.000 4.620 1.00 0.00 H new ATOM 0 HD2 TYR A 102 1.756 -4.782 2.133 1.00 0.00 H new ATOM 0 HE1 TYR A 102 1.366 -9.469 3.571 1.00 0.00 H new ATOM 0 HE2 TYR A 102 0.088 -6.250 1.086 1.00 0.00 H new ATOM 0 HH TYR A 102 -0.805 -8.271 1.002 1.00 0.00 H new ATOM 1589 N GLN A 103 6.044 -3.577 3.057 1.00 0.00 N ATOM 1590 CA GLN A 103 6.879 -2.399 3.264 1.00 0.00 C ATOM 1591 C GLN A 103 6.024 -1.147 3.431 1.00 0.00 C ATOM 1592 O GLN A 103 5.322 -0.734 2.508 1.00 0.00 O ATOM 1593 CB GLN A 103 7.843 -2.219 2.090 1.00 0.00 C ATOM 1594 CG GLN A 103 8.945 -3.264 2.043 1.00 0.00 C ATOM 1595 CD GLN A 103 9.861 -3.202 3.249 1.00 0.00 C ATOM 1596 OE1 GLN A 103 10.590 -2.229 3.441 1.00 0.00 O ATOM 1597 NE2 GLN A 103 9.827 -4.244 4.073 1.00 0.00 N ATOM 0 H GLN A 103 5.614 -3.632 2.134 1.00 0.00 H new ATOM 0 HA GLN A 103 7.454 -2.549 4.178 1.00 0.00 H new ATOM 0 HB2 GLN A 103 7.279 -2.256 1.158 1.00 0.00 H new ATOM 0 HB3 GLN A 103 8.295 -1.229 2.150 1.00 0.00 H new ATOM 0 HG2 GLN A 103 8.497 -4.256 1.982 1.00 0.00 H new ATOM 0 HG3 GLN A 103 9.534 -3.124 1.137 1.00 0.00 H new ATOM 0 HE21 GLN A 103 9.208 -5.030 3.876 1.00 0.00 H new ATOM 0 HE22 GLN A 103 10.420 -4.258 4.903 1.00 0.00 H new ATOM 1606 N VAL A 104 6.086 -0.549 4.617 1.00 0.00 N ATOM 1607 CA VAL A 104 5.319 0.657 4.905 1.00 0.00 C ATOM 1608 C VAL A 104 5.931 1.875 4.224 1.00 0.00 C ATOM 1609 O VAL A 104 7.108 2.181 4.415 1.00 0.00 O ATOM 1610 CB VAL A 104 5.235 0.919 6.421 1.00 0.00 C ATOM 1611 CG1 VAL A 104 4.485 2.213 6.698 1.00 0.00 C ATOM 1612 CG2 VAL A 104 4.570 -0.253 7.128 1.00 0.00 C ATOM 0 H VAL A 104 6.659 -0.880 5.393 1.00 0.00 H new ATOM 0 HA VAL A 104 4.315 0.493 4.515 1.00 0.00 H new ATOM 0 HB VAL A 104 6.248 1.023 6.811 1.00 0.00 H new ATOM 0 HG11 VAL A 104 4.435 2.382 7.774 1.00 0.00 H new ATOM 0 HG12 VAL A 104 5.007 3.044 6.224 1.00 0.00 H new ATOM 0 HG13 VAL A 104 3.475 2.141 6.295 1.00 0.00 H new ATOM 0 HG21 VAL A 104 4.519 -0.051 8.198 1.00 0.00 H new ATOM 0 HG22 VAL A 104 3.562 -0.390 6.736 1.00 0.00 H new ATOM 0 HG23 VAL A 104 5.152 -1.159 6.957 1.00 0.00 H new ATOM 1622 N TYR A 105 5.125 2.568 3.427 1.00 0.00 N ATOM 1623 CA TYR A 105 5.587 3.753 2.715 1.00 0.00 C ATOM 1624 C TYR A 105 4.606 4.909 2.885 1.00 0.00 C ATOM 1625 O TYR A 105 3.395 4.733 2.766 1.00 0.00 O ATOM 1626 CB TYR A 105 5.772 3.441 1.229 1.00 0.00 C ATOM 1627 CG TYR A 105 7.053 2.699 0.921 1.00 0.00 C ATOM 1628 CD1 TYR A 105 8.283 3.341 0.979 1.00 0.00 C ATOM 1629 CD2 TYR A 105 7.032 1.353 0.573 1.00 0.00 C ATOM 1630 CE1 TYR A 105 9.455 2.667 0.698 1.00 0.00 C ATOM 1631 CE2 TYR A 105 8.200 0.671 0.290 1.00 0.00 C ATOM 1632 CZ TYR A 105 9.408 1.332 0.355 1.00 0.00 C ATOM 1633 OH TYR A 105 10.575 0.657 0.075 1.00 0.00 O ATOM 0 H TYR A 105 4.148 2.329 3.258 1.00 0.00 H new ATOM 0 HA TYR A 105 6.546 4.049 3.140 1.00 0.00 H new ATOM 0 HB2 TYR A 105 4.926 2.847 0.883 1.00 0.00 H new ATOM 0 HB3 TYR A 105 5.758 4.374 0.666 1.00 0.00 H new ATOM 0 HD1 TYR A 105 8.324 4.386 1.249 1.00 0.00 H new ATOM 0 HD2 TYR A 105 6.087 0.832 0.523 1.00 0.00 H new ATOM 0 HE1 TYR A 105 10.403 3.182 0.747 1.00 0.00 H new ATOM 0 HE2 TYR A 105 8.167 -0.374 0.019 1.00 0.00 H new ATOM 0 HH TYR A 105 10.369 -0.275 -0.148 1.00 0.00 H new ATOM 1643 N GLY A 106 5.140 6.095 3.164 1.00 0.00 N ATOM 1644 CA GLY A 106 4.299 7.262 3.346 1.00 0.00 C ATOM 1645 C GLY A 106 4.434 8.256 2.210 1.00 0.00 C ATOM 1646 O GLY A 106 5.545 8.607 1.810 1.00 0.00 O ATOM 0 H GLY A 106 6.140 6.267 3.267 1.00 0.00 H new ATOM 0 HA2 GLY A 106 3.259 6.947 3.428 1.00 0.00 H new ATOM 0 HA3 GLY A 106 4.559 7.751 4.285 1.00 0.00 H new ATOM 1650 N LEU A 107 3.301 8.712 1.687 1.00 0.00 N ATOM 1651 CA LEU A 107 3.297 9.671 0.588 1.00 0.00 C ATOM 1652 C LEU A 107 2.093 10.602 0.681 1.00 0.00 C ATOM 1653 O LEU A 107 0.946 10.155 0.649 1.00 0.00 O ATOM 1654 CB LEU A 107 3.286 8.938 -0.755 1.00 0.00 C ATOM 1655 CG LEU A 107 3.626 9.781 -1.984 1.00 0.00 C ATOM 1656 CD1 LEU A 107 2.629 10.919 -2.143 1.00 0.00 C ATOM 1657 CD2 LEU A 107 5.045 10.323 -1.882 1.00 0.00 C ATOM 0 H LEU A 107 2.373 8.433 2.006 1.00 0.00 H new ATOM 0 HA LEU A 107 4.204 10.272 0.660 1.00 0.00 H new ATOM 0 HB2 LEU A 107 3.993 8.111 -0.700 1.00 0.00 H new ATOM 0 HB3 LEU A 107 2.297 8.503 -0.900 1.00 0.00 H new ATOM 0 HG LEU A 107 3.563 9.145 -2.867 1.00 0.00 H new ATOM 0 HD11 LEU A 107 2.887 11.508 -3.023 1.00 0.00 H new ATOM 0 HD12 LEU A 107 1.626 10.510 -2.262 1.00 0.00 H new ATOM 0 HD13 LEU A 107 2.659 11.555 -1.259 1.00 0.00 H new ATOM 0 HD21 LEU A 107 5.271 10.921 -2.765 1.00 0.00 H new ATOM 0 HD22 LEU A 107 5.134 10.944 -0.991 1.00 0.00 H new ATOM 0 HD23 LEU A 107 5.748 9.492 -1.817 1.00 0.00 H new ATOM 1669 N ALA A 108 2.361 11.899 0.795 1.00 0.00 N ATOM 1670 CA ALA A 108 1.299 12.893 0.889 1.00 0.00 C ATOM 1671 C ALA A 108 1.618 14.119 0.040 1.00 0.00 C ATOM 1672 O ALA A 108 2.784 14.452 -0.175 1.00 0.00 O ATOM 1673 CB ALA A 108 1.081 13.297 2.341 1.00 0.00 C ATOM 0 H ALA A 108 3.304 12.286 0.824 1.00 0.00 H new ATOM 0 HA ALA A 108 0.382 12.446 0.505 1.00 0.00 H new ATOM 0 HB1 ALA A 108 0.285 14.040 2.396 1.00 0.00 H new ATOM 0 HB2 ALA A 108 0.800 12.420 2.924 1.00 0.00 H new ATOM 0 HB3 ALA A 108 2.001 13.721 2.743 1.00 0.00 H new ATOM 1679 N LEU A 109 0.575 14.785 -0.443 1.00 0.00 N ATOM 1680 CA LEU A 109 0.744 15.975 -1.271 1.00 0.00 C ATOM 1681 C LEU A 109 0.700 17.241 -0.421 1.00 0.00 C ATOM 1682 O LEU A 109 -0.371 17.684 -0.008 1.00 0.00 O ATOM 1683 CB LEU A 109 -0.343 16.030 -2.346 1.00 0.00 C ATOM 1684 CG LEU A 109 -0.432 14.817 -3.273 1.00 0.00 C ATOM 1685 CD1 LEU A 109 -1.681 14.897 -4.138 1.00 0.00 C ATOM 1686 CD2 LEU A 109 0.814 14.715 -4.140 1.00 0.00 C ATOM 0 H LEU A 109 -0.396 14.522 -0.276 1.00 0.00 H new ATOM 0 HA LEU A 109 1.720 15.917 -1.752 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -1.307 16.157 -1.853 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -0.177 16.918 -2.957 1.00 0.00 H new ATOM 0 HG LEU A 109 -0.497 13.919 -2.659 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -1.728 14.026 -4.791 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -2.565 14.920 -3.500 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -1.647 15.803 -4.743 1.00 0.00 H new ATOM 0 HD21 LEU A 109 0.733 13.846 -4.793 1.00 0.00 H new ATOM 0 HD22 LEU A 109 0.911 15.616 -4.745 1.00 0.00 H new ATOM 0 HD23 LEU A 109 1.693 14.610 -3.503 1.00 0.00 H new ATOM 1698 N GLU A 110 1.870 17.818 -0.166 1.00 0.00 N ATOM 1699 CA GLU A 110 1.963 19.033 0.633 1.00 0.00 C ATOM 1700 C GLU A 110 0.816 19.985 0.311 1.00 0.00 C ATOM 1701 O GLU A 110 0.195 20.554 1.208 1.00 0.00 O ATOM 1702 CB GLU A 110 3.304 19.730 0.386 1.00 0.00 C ATOM 1703 CG GLU A 110 3.587 20.865 1.356 1.00 0.00 C ATOM 1704 CD GLU A 110 3.609 20.405 2.801 1.00 0.00 C ATOM 1705 OE1 GLU A 110 4.468 19.564 3.141 1.00 0.00 O ATOM 1706 OE2 GLU A 110 2.770 20.886 3.591 1.00 0.00 O ATOM 0 H GLU A 110 2.766 17.463 -0.501 1.00 0.00 H new ATOM 0 HA GLU A 110 1.895 18.753 1.684 1.00 0.00 H new ATOM 0 HB2 GLU A 110 4.105 18.994 0.457 1.00 0.00 H new ATOM 0 HB3 GLU A 110 3.319 20.120 -0.632 1.00 0.00 H new ATOM 0 HG2 GLU A 110 4.547 21.319 1.108 1.00 0.00 H new ATOM 0 HG3 GLU A 110 2.828 21.638 1.236 1.00 0.00 H new ATOM 1751 N PRO A 114 -4.702 18.621 -6.871 1.00 0.00 N ATOM 1752 CA PRO A 114 -5.509 17.434 -6.576 1.00 0.00 C ATOM 1753 C PRO A 114 -5.435 16.392 -7.686 1.00 0.00 C ATOM 1754 O PRO A 114 -4.871 16.644 -8.751 1.00 0.00 O ATOM 1755 CB PRO A 114 -6.930 17.991 -6.458 1.00 0.00 C ATOM 1756 CG PRO A 114 -6.918 19.234 -7.280 1.00 0.00 C ATOM 1757 CD PRO A 114 -5.534 19.805 -7.149 1.00 0.00 C ATOM 0 HA PRO A 114 -5.163 16.919 -5.680 1.00 0.00 H new ATOM 0 HB2 PRO A 114 -7.667 17.278 -6.828 1.00 0.00 H new ATOM 0 HB3 PRO A 114 -7.187 18.205 -5.420 1.00 0.00 H new ATOM 0 HG2 PRO A 114 -7.153 19.015 -8.322 1.00 0.00 H new ATOM 0 HG3 PRO A 114 -7.667 19.942 -6.927 1.00 0.00 H new ATOM 0 HD2 PRO A 114 -5.220 20.312 -8.062 1.00 0.00 H new ATOM 0 HD3 PRO A 114 -5.475 20.536 -6.342 1.00 0.00 H new ATOM 1765 N VAL A 115 -6.010 15.220 -7.431 1.00 0.00 N ATOM 1766 CA VAL A 115 -6.011 14.140 -8.411 1.00 0.00 C ATOM 1767 C VAL A 115 -7.313 14.116 -9.201 1.00 0.00 C ATOM 1768 O VAL A 115 -7.311 13.932 -10.419 1.00 0.00 O ATOM 1769 CB VAL A 115 -5.807 12.771 -7.735 1.00 0.00 C ATOM 1770 CG1 VAL A 115 -6.871 12.534 -6.675 1.00 0.00 C ATOM 1771 CG2 VAL A 115 -5.820 11.658 -8.773 1.00 0.00 C ATOM 0 H VAL A 115 -6.481 14.995 -6.555 1.00 0.00 H new ATOM 0 HA VAL A 115 -5.181 14.329 -9.092 1.00 0.00 H new ATOM 0 HB VAL A 115 -4.834 12.769 -7.244 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -6.710 11.562 -6.209 1.00 0.00 H new ATOM 0 HG12 VAL A 115 -6.809 13.315 -5.917 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -7.857 12.555 -7.138 1.00 0.00 H new ATOM 0 HG21 VAL A 115 -5.675 10.698 -8.278 1.00 0.00 H new ATOM 0 HG22 VAL A 115 -6.778 11.657 -9.293 1.00 0.00 H new ATOM 0 HG23 VAL A 115 -5.017 11.821 -9.492 1.00 0.00 H new ATOM 1781 N THR A 116 -8.428 14.304 -8.501 1.00 0.00 N ATOM 1782 CA THR A 116 -9.739 14.303 -9.136 1.00 0.00 C ATOM 1783 C THR A 116 -9.861 13.165 -10.144 1.00 0.00 C ATOM 1784 O THR A 116 -10.564 13.284 -11.148 1.00 0.00 O ATOM 1785 CB THR A 116 -10.018 15.639 -9.851 1.00 0.00 C ATOM 1786 OG1 THR A 116 -9.179 15.762 -11.004 1.00 0.00 O ATOM 1787 CG2 THR A 116 -9.779 16.814 -8.914 1.00 0.00 C ATOM 0 H THR A 116 -8.448 14.459 -7.493 1.00 0.00 H new ATOM 0 HA THR A 116 -10.474 14.163 -8.343 1.00 0.00 H new ATOM 0 HB THR A 116 -11.063 15.649 -10.161 1.00 0.00 H new ATOM 0 HG1 THR A 116 -8.428 15.136 -10.931 1.00 0.00 H new ATOM 0 HG21 THR A 116 -9.982 17.746 -9.441 1.00 0.00 H new ATOM 0 HG22 THR A 116 -10.441 16.732 -8.052 1.00 0.00 H new ATOM 0 HG23 THR A 116 -8.742 16.806 -8.577 1.00 0.00 H new ATOM 1795 N THR A 117 -9.173 12.062 -9.870 1.00 0.00 N ATOM 1796 CA THR A 117 -9.204 10.903 -10.753 1.00 0.00 C ATOM 1797 C THR A 117 -9.163 9.603 -9.956 1.00 0.00 C ATOM 1798 O THR A 117 -8.313 9.426 -9.083 1.00 0.00 O ATOM 1799 CB THR A 117 -8.026 10.920 -11.745 1.00 0.00 C ATOM 1800 OG1 THR A 117 -7.961 12.190 -12.405 1.00 0.00 O ATOM 1801 CG2 THR A 117 -8.171 9.813 -12.778 1.00 0.00 C ATOM 0 H THR A 117 -8.587 11.947 -9.043 1.00 0.00 H new ATOM 0 HA THR A 117 -10.139 10.956 -11.310 1.00 0.00 H new ATOM 0 HB THR A 117 -7.106 10.753 -11.185 1.00 0.00 H new ATOM 0 HG1 THR A 117 -7.578 12.856 -11.796 1.00 0.00 H new ATOM 0 HG21 THR A 117 -7.327 9.846 -13.467 1.00 0.00 H new ATOM 0 HG22 THR A 117 -8.191 8.846 -12.275 1.00 0.00 H new ATOM 0 HG23 THR A 117 -9.099 9.953 -13.333 1.00 0.00 H new ATOM 1809 N VAL A 118 -10.086 8.697 -10.263 1.00 0.00 N ATOM 1810 CA VAL A 118 -10.153 7.412 -9.576 1.00 0.00 C ATOM 1811 C VAL A 118 -11.163 6.486 -10.243 1.00 0.00 C ATOM 1812 O VAL A 118 -12.321 6.843 -10.463 1.00 0.00 O ATOM 1813 CB VAL A 118 -10.534 7.587 -8.094 1.00 0.00 C ATOM 1814 CG1 VAL A 118 -11.976 8.055 -7.965 1.00 0.00 C ATOM 1815 CG2 VAL A 118 -10.315 6.290 -7.332 1.00 0.00 C ATOM 0 H VAL A 118 -10.797 8.829 -10.982 1.00 0.00 H new ATOM 0 HA VAL A 118 -9.160 6.967 -9.638 1.00 0.00 H new ATOM 0 HB VAL A 118 -9.890 8.351 -7.658 1.00 0.00 H new ATOM 0 HG11 VAL A 118 -12.227 8.173 -6.911 1.00 0.00 H new ATOM 0 HG12 VAL A 118 -12.096 9.010 -8.476 1.00 0.00 H new ATOM 0 HG13 VAL A 118 -12.640 7.317 -8.416 1.00 0.00 H new ATOM 0 HG21 VAL A 118 -10.589 6.431 -6.287 1.00 0.00 H new ATOM 0 HG22 VAL A 118 -10.933 5.504 -7.766 1.00 0.00 H new ATOM 0 HG23 VAL A 118 -9.265 6.003 -7.396 1.00 0.00 H new ATOM 1825 N PRO A 119 -10.718 5.264 -10.574 1.00 0.00 N ATOM 1826 CA PRO A 119 -11.567 4.259 -11.220 1.00 0.00 C ATOM 1827 C PRO A 119 -12.642 3.720 -10.282 1.00 0.00 C ATOM 1828 O PRO A 119 -12.634 3.974 -9.078 1.00 0.00 O ATOM 1829 CB PRO A 119 -10.581 3.151 -11.596 1.00 0.00 C ATOM 1830 CG PRO A 119 -9.457 3.299 -10.629 1.00 0.00 C ATOM 1831 CD PRO A 119 -9.350 4.770 -10.341 1.00 0.00 C ATOM 0 HA PRO A 119 -12.111 4.670 -12.070 1.00 0.00 H new ATOM 0 HB2 PRO A 119 -11.043 2.167 -11.518 1.00 0.00 H new ATOM 0 HB3 PRO A 119 -10.236 3.261 -12.624 1.00 0.00 H new ATOM 0 HG2 PRO A 119 -9.651 2.736 -9.716 1.00 0.00 H new ATOM 0 HG3 PRO A 119 -8.527 2.915 -11.049 1.00 0.00 H new ATOM 0 HD2 PRO A 119 -9.024 4.956 -9.318 1.00 0.00 H new ATOM 0 HD3 PRO A 119 -8.630 5.257 -10.998 1.00 0.00 H new ATOM 1839 N PRO A 120 -13.592 2.959 -10.846 1.00 0.00 N ATOM 1840 CA PRO A 120 -14.692 2.368 -10.078 1.00 0.00 C ATOM 1841 C PRO A 120 -14.217 1.258 -9.147 1.00 0.00 C ATOM 1842 O PRO A 120 -15.018 0.623 -8.463 1.00 0.00 O ATOM 1843 CB PRO A 120 -15.614 1.800 -11.160 1.00 0.00 C ATOM 1844 CG PRO A 120 -14.721 1.547 -12.325 1.00 0.00 C ATOM 1845 CD PRO A 120 -13.665 2.616 -12.277 1.00 0.00 C ATOM 0 HA PRO A 120 -15.174 3.098 -9.428 1.00 0.00 H new ATOM 0 HB2 PRO A 120 -16.098 0.882 -10.826 1.00 0.00 H new ATOM 0 HB3 PRO A 120 -16.406 2.504 -11.414 1.00 0.00 H new ATOM 0 HG2 PRO A 120 -14.274 0.554 -12.266 1.00 0.00 H new ATOM 0 HG3 PRO A 120 -15.278 1.591 -13.261 1.00 0.00 H new ATOM 0 HD2 PRO A 120 -12.708 2.253 -12.653 1.00 0.00 H new ATOM 0 HD3 PRO A 120 -13.939 3.479 -12.884 1.00 0.00 H new ATOM 1853 N GLY A 121 -12.907 1.030 -9.124 1.00 0.00 N ATOM 1854 CA GLY A 121 -12.349 -0.003 -8.272 1.00 0.00 C ATOM 1855 C GLY A 121 -11.571 0.567 -7.102 1.00 0.00 C ATOM 1856 O GLY A 121 -10.810 -0.146 -6.449 1.00 0.00 O ATOM 0 H GLY A 121 -12.223 1.543 -9.680 1.00 0.00 H new ATOM 0 HA2 GLY A 121 -13.155 -0.634 -7.896 1.00 0.00 H new ATOM 0 HA3 GLY A 121 -11.693 -0.642 -8.863 1.00 0.00 H new ATOM 1860 N ALA A 122 -11.761 1.856 -6.839 1.00 0.00 N ATOM 1861 CA ALA A 122 -11.072 2.520 -5.742 1.00 0.00 C ATOM 1862 C ALA A 122 -12.009 3.467 -4.997 1.00 0.00 C ATOM 1863 O ALA A 122 -13.122 3.734 -5.448 1.00 0.00 O ATOM 1864 CB ALA A 122 -9.858 3.277 -6.261 1.00 0.00 C ATOM 0 H ALA A 122 -12.387 2.460 -7.372 1.00 0.00 H new ATOM 0 HA ALA A 122 -10.737 1.755 -5.041 1.00 0.00 H new ATOM 0 HB1 ALA A 122 -9.353 3.768 -5.429 1.00 0.00 H new ATOM 0 HB2 ALA A 122 -9.172 2.579 -6.741 1.00 0.00 H new ATOM 0 HB3 ALA A 122 -10.179 4.026 -6.985 1.00 0.00 H new ATOM 1870 N ARG A 123 -11.551 3.969 -3.856 1.00 0.00 N ATOM 1871 CA ARG A 123 -12.349 4.884 -3.049 1.00 0.00 C ATOM 1872 C ARG A 123 -11.453 5.819 -2.239 1.00 0.00 C ATOM 1873 O ARG A 123 -10.408 5.408 -1.734 1.00 0.00 O ATOM 1874 CB ARG A 123 -13.268 4.101 -2.110 1.00 0.00 C ATOM 1875 CG ARG A 123 -12.546 3.495 -0.918 1.00 0.00 C ATOM 1876 CD ARG A 123 -13.522 3.076 0.170 1.00 0.00 C ATOM 1877 NE ARG A 123 -14.198 4.223 0.771 1.00 0.00 N ATOM 1878 CZ ARG A 123 -15.365 4.142 1.400 1.00 0.00 C ATOM 1879 NH1 ARG A 123 -15.983 2.974 1.510 1.00 0.00 N ATOM 1880 NH2 ARG A 123 -15.917 5.231 1.920 1.00 0.00 N ATOM 0 H ARG A 123 -10.631 3.758 -3.469 1.00 0.00 H new ATOM 0 HA ARG A 123 -12.958 5.486 -3.723 1.00 0.00 H new ATOM 0 HB2 ARG A 123 -14.055 4.764 -1.749 1.00 0.00 H new ATOM 0 HB3 ARG A 123 -13.755 3.305 -2.673 1.00 0.00 H new ATOM 0 HG2 ARG A 123 -11.968 2.630 -1.243 1.00 0.00 H new ATOM 0 HG3 ARG A 123 -11.838 4.218 -0.514 1.00 0.00 H new ATOM 0 HD2 ARG A 123 -14.264 2.397 -0.251 1.00 0.00 H new ATOM 0 HD3 ARG A 123 -12.988 2.524 0.943 1.00 0.00 H new ATOM 0 HE ARG A 123 -13.749 5.136 0.704 1.00 0.00 H new ATOM 0 HH11 ARG A 123 -15.562 2.135 1.111 1.00 0.00 H new ATOM 0 HH12 ARG A 123 -16.879 2.915 1.994 1.00 0.00 H new ATOM 0 HH21 ARG A 123 -15.445 6.131 1.837 1.00 0.00 H new ATOM 0 HH22 ARG A 123 -16.813 5.168 2.403 1.00 0.00 H new ATOM 1894 N TRP A 124 -11.870 7.073 -2.123 1.00 0.00 N ATOM 1895 CA TRP A 124 -11.105 8.066 -1.375 1.00 0.00 C ATOM 1896 C TRP A 124 -11.798 8.410 -0.061 1.00 0.00 C ATOM 1897 O TRP A 124 -12.848 9.053 -0.051 1.00 0.00 O ATOM 1898 CB TRP A 124 -10.916 9.331 -2.213 1.00 0.00 C ATOM 1899 CG TRP A 124 -9.687 9.298 -3.070 1.00 0.00 C ATOM 1900 CD1 TRP A 124 -9.589 8.812 -4.343 1.00 0.00 C ATOM 1901 CD2 TRP A 124 -8.382 9.768 -2.716 1.00 0.00 C ATOM 1902 NE1 TRP A 124 -8.301 8.951 -4.801 1.00 0.00 N ATOM 1903 CE2 TRP A 124 -7.542 9.536 -3.822 1.00 0.00 C ATOM 1904 CE3 TRP A 124 -7.843 10.363 -1.573 1.00 0.00 C ATOM 1905 CZ2 TRP A 124 -6.192 9.878 -3.816 1.00 0.00 C ATOM 1906 CZ3 TRP A 124 -6.502 10.702 -1.568 1.00 0.00 C ATOM 1907 CH2 TRP A 124 -5.690 10.460 -2.683 1.00 0.00 C ATOM 0 H TRP A 124 -12.732 7.428 -2.536 1.00 0.00 H new ATOM 0 HA TRP A 124 -10.128 7.640 -1.148 1.00 0.00 H new ATOM 0 HB2 TRP A 124 -11.790 9.471 -2.849 1.00 0.00 H new ATOM 0 HB3 TRP A 124 -10.864 10.194 -1.549 1.00 0.00 H new ATOM 0 HD1 TRP A 124 -10.404 8.382 -4.906 1.00 0.00 H new ATOM 0 HE1 TRP A 124 -7.965 8.665 -5.721 1.00 0.00 H new ATOM 0 HE3 TRP A 124 -8.462 10.555 -0.709 1.00 0.00 H new ATOM 0 HZ2 TRP A 124 -5.564 9.691 -4.674 1.00 0.00 H new ATOM 0 HZ3 TRP A 124 -6.074 11.161 -0.689 1.00 0.00 H new ATOM 0 HH2 TRP A 124 -4.647 10.738 -2.648 1.00 0.00 H new ATOM 1918 N LEU A 125 -11.204 7.979 1.046 1.00 0.00 N ATOM 1919 CA LEU A 125 -11.765 8.243 2.367 1.00 0.00 C ATOM 1920 C LEU A 125 -10.744 8.937 3.264 1.00 0.00 C ATOM 1921 O LEU A 125 -9.565 9.038 2.919 1.00 0.00 O ATOM 1922 CB LEU A 125 -12.225 6.937 3.017 1.00 0.00 C ATOM 1923 CG LEU A 125 -11.341 5.715 2.769 1.00 0.00 C ATOM 1924 CD1 LEU A 125 -10.021 5.852 3.513 1.00 0.00 C ATOM 1925 CD2 LEU A 125 -12.061 4.442 3.187 1.00 0.00 C ATOM 0 H LEU A 125 -10.335 7.446 1.056 1.00 0.00 H new ATOM 0 HA LEU A 125 -12.623 8.904 2.244 1.00 0.00 H new ATOM 0 HB2 LEU A 125 -12.297 7.096 4.093 1.00 0.00 H new ATOM 0 HB3 LEU A 125 -13.230 6.712 2.660 1.00 0.00 H new ATOM 0 HG LEU A 125 -11.129 5.654 1.702 1.00 0.00 H new ATOM 0 HD11 LEU A 125 -9.404 4.973 3.325 1.00 0.00 H new ATOM 0 HD12 LEU A 125 -9.498 6.743 3.165 1.00 0.00 H new ATOM 0 HD13 LEU A 125 -10.213 5.938 4.582 1.00 0.00 H new ATOM 0 HD21 LEU A 125 -11.417 3.582 3.003 1.00 0.00 H new ATOM 0 HD22 LEU A 125 -12.304 4.493 4.248 1.00 0.00 H new ATOM 0 HD23 LEU A 125 -12.979 4.337 2.609 1.00 0.00 H new ATOM 1937 N THR A 126 -11.204 9.415 4.416 1.00 0.00 N ATOM 1938 CA THR A 126 -10.331 10.098 5.363 1.00 0.00 C ATOM 1939 C THR A 126 -9.534 9.100 6.195 1.00 0.00 C ATOM 1940 O THR A 126 -9.787 7.897 6.148 1.00 0.00 O ATOM 1941 CB THR A 126 -11.134 11.011 6.308 1.00 0.00 C ATOM 1942 OG1 THR A 126 -11.838 10.221 7.272 1.00 0.00 O ATOM 1943 CG2 THR A 126 -12.121 11.865 5.526 1.00 0.00 C ATOM 0 H THR A 126 -12.176 9.342 4.716 1.00 0.00 H new ATOM 0 HA THR A 126 -9.644 10.708 4.777 1.00 0.00 H new ATOM 0 HB THR A 126 -10.434 11.671 6.821 1.00 0.00 H new ATOM 0 HG1 THR A 126 -12.345 10.809 7.870 1.00 0.00 H new ATOM 0 HG21 THR A 126 -12.677 12.502 6.215 1.00 0.00 H new ATOM 0 HG22 THR A 126 -11.579 12.487 4.814 1.00 0.00 H new ATOM 0 HG23 THR A 126 -12.815 11.219 4.989 1.00 0.00 H new ATOM 1951 N GLN A 127 -8.570 9.608 6.955 1.00 0.00 N ATOM 1952 CA GLN A 127 -7.735 8.761 7.798 1.00 0.00 C ATOM 1953 C GLN A 127 -8.591 7.889 8.711 1.00 0.00 C ATOM 1954 O GLN A 127 -8.455 6.666 8.723 1.00 0.00 O ATOM 1955 CB GLN A 127 -6.783 9.616 8.636 1.00 0.00 C ATOM 1956 CG GLN A 127 -5.749 10.363 7.809 1.00 0.00 C ATOM 1957 CD GLN A 127 -5.088 11.488 8.580 1.00 0.00 C ATOM 1958 OE1 GLN A 127 -4.437 11.259 9.600 1.00 0.00 O ATOM 1959 NE2 GLN A 127 -5.250 12.714 8.095 1.00 0.00 N ATOM 0 H GLN A 127 -8.348 10.602 7.004 1.00 0.00 H new ATOM 0 HA GLN A 127 -7.150 8.111 7.148 1.00 0.00 H new ATOM 0 HB2 GLN A 127 -7.365 10.336 9.211 1.00 0.00 H new ATOM 0 HB3 GLN A 127 -6.269 8.976 9.353 1.00 0.00 H new ATOM 0 HG2 GLN A 127 -4.986 9.663 7.470 1.00 0.00 H new ATOM 0 HG3 GLN A 127 -6.227 10.770 6.918 1.00 0.00 H new ATOM 0 HE21 GLN A 127 -5.797 12.859 7.247 1.00 0.00 H new ATOM 0 HE22 GLN A 127 -4.827 13.511 8.571 1.00 0.00 H new ATOM 1968 N GLU A 128 -9.473 8.528 9.474 1.00 0.00 N ATOM 1969 CA GLU A 128 -10.350 7.809 10.391 1.00 0.00 C ATOM 1970 C GLU A 128 -11.189 6.776 9.644 1.00 0.00 C ATOM 1971 O GLU A 128 -11.202 5.598 10.000 1.00 0.00 O ATOM 1972 CB GLU A 128 -11.265 8.788 11.129 1.00 0.00 C ATOM 1973 CG GLU A 128 -10.515 9.833 11.937 1.00 0.00 C ATOM 1974 CD GLU A 128 -11.352 11.065 12.220 1.00 0.00 C ATOM 1975 OE1 GLU A 128 -12.254 10.984 13.081 1.00 0.00 O ATOM 1976 OE2 GLU A 128 -11.106 12.109 11.582 1.00 0.00 O ATOM 0 H GLU A 128 -9.599 9.540 9.475 1.00 0.00 H new ATOM 0 HA GLU A 128 -9.726 7.288 11.117 1.00 0.00 H new ATOM 0 HB2 GLU A 128 -11.904 9.292 10.404 1.00 0.00 H new ATOM 0 HB3 GLU A 128 -11.920 8.227 11.796 1.00 0.00 H new ATOM 0 HG2 GLU A 128 -10.192 9.394 12.881 1.00 0.00 H new ATOM 0 HG3 GLU A 128 -9.615 10.127 11.397 1.00 0.00 H new ATOM 1983 N GLU A 129 -11.889 7.227 8.607 1.00 0.00 N ATOM 1984 CA GLU A 129 -12.730 6.342 7.812 1.00 0.00 C ATOM 1985 C GLU A 129 -12.028 5.012 7.550 1.00 0.00 C ATOM 1986 O GLU A 129 -12.621 3.945 7.702 1.00 0.00 O ATOM 1987 CB GLU A 129 -13.097 7.007 6.484 1.00 0.00 C ATOM 1988 CG GLU A 129 -14.242 8.002 6.597 1.00 0.00 C ATOM 1989 CD GLU A 129 -15.600 7.345 6.456 1.00 0.00 C ATOM 1990 OE1 GLU A 129 -15.736 6.169 6.859 1.00 0.00 O ATOM 1991 OE2 GLU A 129 -16.529 8.003 5.945 1.00 0.00 O ATOM 0 H GLU A 129 -11.890 8.199 8.299 1.00 0.00 H new ATOM 0 HA GLU A 129 -13.642 6.147 8.377 1.00 0.00 H new ATOM 0 HB2 GLU A 129 -12.220 7.519 6.089 1.00 0.00 H new ATOM 0 HB3 GLU A 129 -13.367 6.235 5.763 1.00 0.00 H new ATOM 0 HG2 GLU A 129 -14.185 8.508 7.561 1.00 0.00 H new ATOM 0 HG3 GLU A 129 -14.131 8.767 5.829 1.00 0.00 H new ATOM 1998 N PHE A 130 -10.762 5.087 7.154 1.00 0.00 N ATOM 1999 CA PHE A 130 -9.978 3.891 6.869 1.00 0.00 C ATOM 2000 C PHE A 130 -10.016 2.923 8.048 1.00 0.00 C ATOM 2001 O PHE A 130 -10.356 1.749 7.891 1.00 0.00 O ATOM 2002 CB PHE A 130 -8.530 4.268 6.550 1.00 0.00 C ATOM 2003 CG PHE A 130 -7.564 3.128 6.712 1.00 0.00 C ATOM 2004 CD1 PHE A 130 -7.359 2.226 5.681 1.00 0.00 C ATOM 2005 CD2 PHE A 130 -6.862 2.960 7.895 1.00 0.00 C ATOM 2006 CE1 PHE A 130 -6.471 1.177 5.825 1.00 0.00 C ATOM 2007 CE2 PHE A 130 -5.973 1.914 8.044 1.00 0.00 C ATOM 2008 CZ PHE A 130 -5.778 1.019 7.010 1.00 0.00 C ATOM 0 H PHE A 130 -10.257 5.963 7.023 1.00 0.00 H new ATOM 0 HA PHE A 130 -10.416 3.397 6.002 1.00 0.00 H new ATOM 0 HB2 PHE A 130 -8.476 4.637 5.526 1.00 0.00 H new ATOM 0 HB3 PHE A 130 -8.225 5.088 7.200 1.00 0.00 H new ATOM 0 HD1 PHE A 130 -7.900 2.344 4.754 1.00 0.00 H new ATOM 0 HD2 PHE A 130 -7.012 3.654 8.709 1.00 0.00 H new ATOM 0 HE1 PHE A 130 -6.319 0.482 5.013 1.00 0.00 H new ATOM 0 HE2 PHE A 130 -5.430 1.795 8.970 1.00 0.00 H new ATOM 0 HZ PHE A 130 -5.086 0.198 7.127 1.00 0.00 H new ATOM 2018 N HIS A 131 -9.663 3.422 9.228 1.00 0.00 N ATOM 2019 CA HIS A 131 -9.656 2.602 10.434 1.00 0.00 C ATOM 2020 C HIS A 131 -10.903 1.725 10.502 1.00 0.00 C ATOM 2021 O HIS A 131 -10.811 0.501 10.587 1.00 0.00 O ATOM 2022 CB HIS A 131 -9.573 3.487 11.677 1.00 0.00 C ATOM 2023 CG HIS A 131 -8.169 3.766 12.121 1.00 0.00 C ATOM 2024 ND1 HIS A 131 -7.235 2.772 12.332 1.00 0.00 N ATOM 2025 CD2 HIS A 131 -7.542 4.933 12.393 1.00 0.00 C ATOM 2026 CE1 HIS A 131 -6.096 3.318 12.716 1.00 0.00 C ATOM 2027 NE2 HIS A 131 -6.255 4.629 12.760 1.00 0.00 N ATOM 0 H HIS A 131 -9.378 4.390 9.375 1.00 0.00 H new ATOM 0 HA HIS A 131 -8.780 1.955 10.399 1.00 0.00 H new ATOM 0 HB2 HIS A 131 -10.076 4.433 11.474 1.00 0.00 H new ATOM 0 HB3 HIS A 131 -10.114 3.007 12.492 1.00 0.00 H new ATOM 0 HD1 HIS A 131 -7.399 1.773 12.210 1.00 0.00 H new ATOM 0 HD2 HIS A 131 -7.974 5.921 12.333 1.00 0.00 H new ATOM 0 HE1 HIS A 131 -5.188 2.784 12.954 1.00 0.00 H new ATOM 2036 N THR A 132 -12.070 2.361 10.465 1.00 0.00 N ATOM 2037 CA THR A 132 -13.335 1.640 10.525 1.00 0.00 C ATOM 2038 C THR A 132 -13.491 0.704 9.333 1.00 0.00 C ATOM 2039 O THR A 132 -13.785 -0.481 9.496 1.00 0.00 O ATOM 2040 CB THR A 132 -14.533 2.608 10.562 1.00 0.00 C ATOM 2041 OG1 THR A 132 -14.408 3.581 9.518 1.00 0.00 O ATOM 2042 CG2 THR A 132 -14.620 3.310 11.909 1.00 0.00 C ATOM 0 H THR A 132 -12.165 3.374 10.394 1.00 0.00 H new ATOM 0 HA THR A 132 -13.321 1.055 11.445 1.00 0.00 H new ATOM 0 HB THR A 132 -15.445 2.030 10.412 1.00 0.00 H new ATOM 0 HG1 THR A 132 -13.469 3.649 9.245 1.00 0.00 H new ATOM 0 HG21 THR A 132 -15.473 3.988 11.911 1.00 0.00 H new ATOM 0 HG22 THR A 132 -14.744 2.569 12.698 1.00 0.00 H new ATOM 0 HG23 THR A 132 -13.706 3.877 12.084 1.00 0.00 H new ATOM 2050 N ALA A 133 -13.291 1.240 8.134 1.00 0.00 N ATOM 2051 CA ALA A 133 -13.406 0.451 6.914 1.00 0.00 C ATOM 2052 C ALA A 133 -12.886 -0.967 7.126 1.00 0.00 C ATOM 2053 O ALA A 133 -12.030 -1.203 7.978 1.00 0.00 O ATOM 2054 CB ALA A 133 -12.656 1.126 5.775 1.00 0.00 C ATOM 0 H ALA A 133 -13.048 2.219 7.981 1.00 0.00 H new ATOM 0 HA ALA A 133 -14.462 0.387 6.651 1.00 0.00 H new ATOM 0 HB1 ALA A 133 -12.751 0.525 4.870 1.00 0.00 H new ATOM 0 HB2 ALA A 133 -13.076 2.116 5.599 1.00 0.00 H new ATOM 0 HB3 ALA A 133 -11.603 1.221 6.039 1.00 0.00 H new ATOM 2060 N ALA A 134 -13.408 -1.907 6.346 1.00 0.00 N ATOM 2061 CA ALA A 134 -12.995 -3.301 6.448 1.00 0.00 C ATOM 2062 C ALA A 134 -11.588 -3.498 5.895 1.00 0.00 C ATOM 2063 O ALA A 134 -11.395 -3.601 4.683 1.00 0.00 O ATOM 2064 CB ALA A 134 -13.982 -4.198 5.716 1.00 0.00 C ATOM 0 H ALA A 134 -14.118 -1.729 5.636 1.00 0.00 H new ATOM 0 HA ALA A 134 -12.984 -3.575 7.503 1.00 0.00 H new ATOM 0 HB1 ALA A 134 -13.662 -5.236 5.800 1.00 0.00 H new ATOM 0 HB2 ALA A 134 -14.972 -4.087 6.158 1.00 0.00 H new ATOM 0 HB3 ALA A 134 -14.021 -3.914 4.664 1.00 0.00 H new ATOM 2070 N VAL A 135 -10.606 -3.549 6.790 1.00 0.00 N ATOM 2071 CA VAL A 135 -9.216 -3.734 6.392 1.00 0.00 C ATOM 2072 C VAL A 135 -8.559 -4.852 7.192 1.00 0.00 C ATOM 2073 O VAL A 135 -8.768 -4.971 8.400 1.00 0.00 O ATOM 2074 CB VAL A 135 -8.402 -2.440 6.576 1.00 0.00 C ATOM 2075 CG1 VAL A 135 -7.102 -2.510 5.790 1.00 0.00 C ATOM 2076 CG2 VAL A 135 -9.224 -1.229 6.156 1.00 0.00 C ATOM 0 H VAL A 135 -10.748 -3.465 7.797 1.00 0.00 H new ATOM 0 HA VAL A 135 -9.223 -4.003 5.336 1.00 0.00 H new ATOM 0 HB VAL A 135 -8.155 -2.334 7.632 1.00 0.00 H new ATOM 0 HG11 VAL A 135 -6.541 -1.587 5.932 1.00 0.00 H new ATOM 0 HG12 VAL A 135 -6.509 -3.354 6.143 1.00 0.00 H new ATOM 0 HG13 VAL A 135 -7.324 -2.640 4.731 1.00 0.00 H new ATOM 0 HG21 VAL A 135 -8.633 -0.323 6.293 1.00 0.00 H new ATOM 0 HG22 VAL A 135 -9.504 -1.325 5.107 1.00 0.00 H new ATOM 0 HG23 VAL A 135 -10.124 -1.171 6.767 1.00 0.00 H new ATOM 2086 N SER A 136 -7.764 -5.671 6.512 1.00 0.00 N ATOM 2087 CA SER A 136 -7.078 -6.783 7.159 1.00 0.00 C ATOM 2088 C SER A 136 -6.033 -6.276 8.148 1.00 0.00 C ATOM 2089 O SER A 136 -5.541 -5.153 8.030 1.00 0.00 O ATOM 2090 CB SER A 136 -6.413 -7.679 6.113 1.00 0.00 C ATOM 2091 OG SER A 136 -5.558 -6.928 5.268 1.00 0.00 O ATOM 0 H SER A 136 -7.579 -5.586 5.513 1.00 0.00 H new ATOM 0 HA SER A 136 -7.820 -7.365 7.707 1.00 0.00 H new ATOM 0 HB2 SER A 136 -5.841 -8.462 6.611 1.00 0.00 H new ATOM 0 HB3 SER A 136 -7.178 -8.174 5.515 1.00 0.00 H new ATOM 0 HG SER A 136 -5.144 -7.524 4.609 1.00 0.00 H new ATOM 2097 N THR A 137 -5.697 -7.112 9.126 1.00 0.00 N ATOM 2098 CA THR A 137 -4.712 -6.750 10.138 1.00 0.00 C ATOM 2099 C THR A 137 -3.458 -6.164 9.498 1.00 0.00 C ATOM 2100 O THR A 137 -3.063 -5.039 9.802 1.00 0.00 O ATOM 2101 CB THR A 137 -4.317 -7.964 10.997 1.00 0.00 C ATOM 2102 OG1 THR A 137 -5.491 -8.614 11.498 1.00 0.00 O ATOM 2103 CG2 THR A 137 -3.432 -7.539 12.161 1.00 0.00 C ATOM 0 H THR A 137 -6.093 -8.045 9.238 1.00 0.00 H new ATOM 0 HA THR A 137 -5.176 -5.999 10.777 1.00 0.00 H new ATOM 0 HB THR A 137 -3.758 -8.658 10.369 1.00 0.00 H new ATOM 0 HG1 THR A 137 -5.230 -9.386 12.042 1.00 0.00 H new ATOM 0 HG21 THR A 137 -3.166 -8.414 12.754 1.00 0.00 H new ATOM 0 HG22 THR A 137 -2.525 -7.071 11.777 1.00 0.00 H new ATOM 0 HG23 THR A 137 -3.971 -6.827 12.787 1.00 0.00 H new ATOM 2111 N ALA A 138 -2.837 -6.934 8.612 1.00 0.00 N ATOM 2112 CA ALA A 138 -1.629 -6.490 7.927 1.00 0.00 C ATOM 2113 C ALA A 138 -1.757 -5.040 7.474 1.00 0.00 C ATOM 2114 O ALA A 138 -1.101 -4.150 8.015 1.00 0.00 O ATOM 2115 CB ALA A 138 -1.333 -7.393 6.739 1.00 0.00 C ATOM 0 H ALA A 138 -3.150 -7.869 8.351 1.00 0.00 H new ATOM 0 HA ALA A 138 -0.799 -6.551 8.630 1.00 0.00 H new ATOM 0 HB1 ALA A 138 -0.428 -7.049 6.237 1.00 0.00 H new ATOM 0 HB2 ALA A 138 -1.189 -8.416 7.087 1.00 0.00 H new ATOM 0 HB3 ALA A 138 -2.169 -7.362 6.041 1.00 0.00 H new ATOM 2121 N MET A 139 -2.605 -4.809 6.477 1.00 0.00 N ATOM 2122 CA MET A 139 -2.818 -3.466 5.951 1.00 0.00 C ATOM 2123 C MET A 139 -3.094 -2.477 7.080 1.00 0.00 C ATOM 2124 O MET A 139 -2.494 -1.404 7.140 1.00 0.00 O ATOM 2125 CB MET A 139 -3.982 -3.462 4.958 1.00 0.00 C ATOM 2126 CG MET A 139 -3.896 -4.564 3.917 1.00 0.00 C ATOM 2127 SD MET A 139 -2.323 -4.564 3.034 1.00 0.00 S ATOM 2128 CE MET A 139 -2.107 -2.814 2.727 1.00 0.00 C ATOM 0 H MET A 139 -3.156 -5.534 6.017 1.00 0.00 H new ATOM 0 HA MET A 139 -1.909 -3.157 5.435 1.00 0.00 H new ATOM 0 HB2 MET A 139 -4.918 -3.565 5.507 1.00 0.00 H new ATOM 0 HB3 MET A 139 -4.014 -2.497 4.452 1.00 0.00 H new ATOM 0 HG2 MET A 139 -4.035 -5.530 4.403 1.00 0.00 H new ATOM 0 HG3 MET A 139 -4.710 -4.447 3.202 1.00 0.00 H new ATOM 0 HE1 MET A 139 -1.484 -2.674 1.844 1.00 0.00 H new ATOM 0 HE2 MET A 139 -3.080 -2.351 2.562 1.00 0.00 H new ATOM 0 HE3 MET A 139 -1.625 -2.350 3.588 1.00 0.00 H new ATOM 2138 N LYS A 140 -4.006 -2.846 7.973 1.00 0.00 N ATOM 2139 CA LYS A 140 -4.361 -1.993 9.102 1.00 0.00 C ATOM 2140 C LYS A 140 -3.116 -1.562 9.872 1.00 0.00 C ATOM 2141 O LYS A 140 -3.068 -0.468 10.433 1.00 0.00 O ATOM 2142 CB LYS A 140 -5.324 -2.726 10.038 1.00 0.00 C ATOM 2143 CG LYS A 140 -6.773 -2.673 9.582 1.00 0.00 C ATOM 2144 CD LYS A 140 -7.730 -2.905 10.739 1.00 0.00 C ATOM 2145 CE LYS A 140 -9.164 -2.581 10.350 1.00 0.00 C ATOM 2146 NZ LYS A 140 -10.061 -2.518 11.537 1.00 0.00 N ATOM 0 H LYS A 140 -4.513 -3.730 7.937 1.00 0.00 H new ATOM 0 HA LYS A 140 -4.851 -1.101 8.711 1.00 0.00 H new ATOM 0 HB2 LYS A 140 -5.015 -3.768 10.120 1.00 0.00 H new ATOM 0 HB3 LYS A 140 -5.249 -2.292 11.035 1.00 0.00 H new ATOM 0 HG2 LYS A 140 -6.977 -1.703 9.128 1.00 0.00 H new ATOM 0 HG3 LYS A 140 -6.941 -3.427 8.813 1.00 0.00 H new ATOM 0 HD2 LYS A 140 -7.666 -3.944 11.063 1.00 0.00 H new ATOM 0 HD3 LYS A 140 -7.434 -2.288 11.587 1.00 0.00 H new ATOM 0 HE2 LYS A 140 -9.191 -1.627 9.824 1.00 0.00 H new ATOM 0 HE3 LYS A 140 -9.532 -3.338 9.657 1.00 0.00 H new ATOM 0 HZ1 LYS A 140 -10.764 -3.283 11.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 140 -9.497 -2.627 12.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 140 -10.549 -1.600 11.555 1.00 0.00 H new ATOM 2160 N LYS A 141 -2.110 -2.431 9.893 1.00 0.00 N ATOM 2161 CA LYS A 141 -0.863 -2.140 10.591 1.00 0.00 C ATOM 2162 C LYS A 141 -0.030 -1.123 9.818 1.00 0.00 C ATOM 2163 O LYS A 141 0.531 -0.194 10.399 1.00 0.00 O ATOM 2164 CB LYS A 141 -0.057 -3.425 10.795 1.00 0.00 C ATOM 2165 CG LYS A 141 -0.738 -4.431 11.707 1.00 0.00 C ATOM 2166 CD LYS A 141 -0.181 -5.831 11.507 1.00 0.00 C ATOM 2167 CE LYS A 141 0.991 -6.103 12.437 1.00 0.00 C ATOM 2168 NZ LYS A 141 1.296 -7.558 12.534 1.00 0.00 N ATOM 0 H LYS A 141 -2.134 -3.342 9.435 1.00 0.00 H new ATOM 0 HA LYS A 141 -1.112 -1.715 11.564 1.00 0.00 H new ATOM 0 HB2 LYS A 141 0.122 -3.889 9.825 1.00 0.00 H new ATOM 0 HB3 LYS A 141 0.917 -3.171 11.212 1.00 0.00 H new ATOM 0 HG2 LYS A 141 -0.604 -4.130 12.746 1.00 0.00 H new ATOM 0 HG3 LYS A 141 -1.810 -4.434 11.511 1.00 0.00 H new ATOM 0 HD2 LYS A 141 -0.967 -6.565 11.686 1.00 0.00 H new ATOM 0 HD3 LYS A 141 0.139 -5.952 10.472 1.00 0.00 H new ATOM 0 HE2 LYS A 141 1.871 -5.571 12.077 1.00 0.00 H new ATOM 0 HE3 LYS A 141 0.766 -5.712 13.429 1.00 0.00 H new ATOM 0 HZ1 LYS A 141 2.236 -7.688 12.960 1.00 0.00 H new ATOM 0 HZ2 LYS A 141 0.580 -8.024 13.127 1.00 0.00 H new ATOM 0 HZ3 LYS A 141 1.286 -7.979 11.583 1.00 0.00 H new ATOM 2182 N VAL A 142 0.043 -1.303 8.502 1.00 0.00 N ATOM 2183 CA VAL A 142 0.805 -0.399 7.649 1.00 0.00 C ATOM 2184 C VAL A 142 0.429 1.055 7.913 1.00 0.00 C ATOM 2185 O VAL A 142 1.236 1.963 7.714 1.00 0.00 O ATOM 2186 CB VAL A 142 0.582 -0.713 6.159 1.00 0.00 C ATOM 2187 CG1 VAL A 142 1.416 0.214 5.286 1.00 0.00 C ATOM 2188 CG2 VAL A 142 0.908 -2.171 5.867 1.00 0.00 C ATOM 0 H VAL A 142 -0.416 -2.066 8.005 1.00 0.00 H new ATOM 0 HA VAL A 142 1.857 -0.548 7.891 1.00 0.00 H new ATOM 0 HB VAL A 142 -0.469 -0.545 5.924 1.00 0.00 H new ATOM 0 HG11 VAL A 142 1.245 -0.023 4.236 1.00 0.00 H new ATOM 0 HG12 VAL A 142 1.129 1.248 5.476 1.00 0.00 H new ATOM 0 HG13 VAL A 142 2.472 0.082 5.520 1.00 0.00 H new ATOM 0 HG21 VAL A 142 0.745 -2.375 4.809 1.00 0.00 H new ATOM 0 HG22 VAL A 142 1.950 -2.368 6.118 1.00 0.00 H new ATOM 0 HG23 VAL A 142 0.263 -2.815 6.465 1.00 0.00 H new ATOM 2198 N PHE A 143 -0.804 1.268 8.362 1.00 0.00 N ATOM 2199 CA PHE A 143 -1.289 2.613 8.654 1.00 0.00 C ATOM 2200 C PHE A 143 -0.658 3.153 9.934 1.00 0.00 C ATOM 2201 O PHE A 143 0.175 4.059 9.894 1.00 0.00 O ATOM 2202 CB PHE A 143 -2.813 2.610 8.785 1.00 0.00 C ATOM 2203 CG PHE A 143 -3.399 3.977 8.998 1.00 0.00 C ATOM 2204 CD1 PHE A 143 -3.417 4.905 7.971 1.00 0.00 C ATOM 2205 CD2 PHE A 143 -3.931 4.333 10.227 1.00 0.00 C ATOM 2206 CE1 PHE A 143 -3.955 6.164 8.163 1.00 0.00 C ATOM 2207 CE2 PHE A 143 -4.470 5.590 10.426 1.00 0.00 C ATOM 2208 CZ PHE A 143 -4.481 6.507 9.393 1.00 0.00 C ATOM 0 H PHE A 143 -1.485 0.528 8.531 1.00 0.00 H new ATOM 0 HA PHE A 143 -1.003 3.263 7.827 1.00 0.00 H new ATOM 0 HB2 PHE A 143 -3.246 2.174 7.885 1.00 0.00 H new ATOM 0 HB3 PHE A 143 -3.097 1.968 9.619 1.00 0.00 H new ATOM 0 HD1 PHE A 143 -3.006 4.642 7.008 1.00 0.00 H new ATOM 0 HD2 PHE A 143 -3.924 3.620 11.038 1.00 0.00 H new ATOM 0 HE1 PHE A 143 -3.964 6.878 7.353 1.00 0.00 H new ATOM 0 HE2 PHE A 143 -4.882 5.855 11.388 1.00 0.00 H new ATOM 0 HZ PHE A 143 -4.900 7.490 9.547 1.00 0.00 H new ATOM 2218 N ARG A 144 -1.061 2.589 11.069 1.00 0.00 N ATOM 2219 CA ARG A 144 -0.537 3.015 12.361 1.00 0.00 C ATOM 2220 C ARG A 144 0.973 3.217 12.295 1.00 0.00 C ATOM 2221 O ARG A 144 1.523 4.092 12.965 1.00 0.00 O ATOM 2222 CB ARG A 144 -0.878 1.984 13.439 1.00 0.00 C ATOM 2223 CG ARG A 144 0.115 0.838 13.519 1.00 0.00 C ATOM 2224 CD ARG A 144 -0.425 -0.310 14.360 1.00 0.00 C ATOM 2225 NE ARG A 144 -0.113 -0.144 15.777 1.00 0.00 N ATOM 2226 CZ ARG A 144 -0.737 -0.801 16.749 1.00 0.00 C ATOM 2227 NH1 ARG A 144 -1.699 -1.665 16.457 1.00 0.00 N ATOM 2228 NH2 ARG A 144 -0.397 -0.595 18.014 1.00 0.00 N ATOM 0 H ARG A 144 -1.748 1.837 11.119 1.00 0.00 H new ATOM 0 HA ARG A 144 -1.003 3.966 12.618 1.00 0.00 H new ATOM 0 HB2 ARG A 144 -0.922 2.484 14.407 1.00 0.00 H new ATOM 0 HB3 ARG A 144 -1.871 1.580 13.243 1.00 0.00 H new ATOM 0 HG2 ARG A 144 0.341 0.480 12.515 1.00 0.00 H new ATOM 0 HG3 ARG A 144 1.051 1.196 13.948 1.00 0.00 H new ATOM 0 HD2 ARG A 144 -1.505 -0.376 14.232 1.00 0.00 H new ATOM 0 HD3 ARG A 144 -0.004 -1.250 14.004 1.00 0.00 H new ATOM 0 HE ARG A 144 0.624 0.512 16.035 1.00 0.00 H new ATOM 0 HH11 ARG A 144 -1.962 -1.827 15.485 1.00 0.00 H new ATOM 0 HH12 ARG A 144 -2.177 -2.168 17.205 1.00 0.00 H new ATOM 0 HH21 ARG A 144 0.344 0.068 18.241 1.00 0.00 H new ATOM 0 HH22 ARG A 144 -0.876 -1.100 18.760 1.00 0.00 H new ATOM 2242 N VAL A 145 1.641 2.402 11.484 1.00 0.00 N ATOM 2243 CA VAL A 145 3.088 2.491 11.331 1.00 0.00 C ATOM 2244 C VAL A 145 3.483 3.759 10.582 1.00 0.00 C ATOM 2245 O VAL A 145 4.476 4.406 10.919 1.00 0.00 O ATOM 2246 CB VAL A 145 3.648 1.268 10.580 1.00 0.00 C ATOM 2247 CG1 VAL A 145 5.132 1.451 10.296 1.00 0.00 C ATOM 2248 CG2 VAL A 145 3.403 -0.004 11.377 1.00 0.00 C ATOM 0 H VAL A 145 1.202 1.672 10.923 1.00 0.00 H new ATOM 0 HA VAL A 145 3.513 2.518 12.334 1.00 0.00 H new ATOM 0 HB VAL A 145 3.127 1.178 9.627 1.00 0.00 H new ATOM 0 HG11 VAL A 145 5.511 0.578 9.765 1.00 0.00 H new ATOM 0 HG12 VAL A 145 5.278 2.340 9.683 1.00 0.00 H new ATOM 0 HG13 VAL A 145 5.671 1.566 11.236 1.00 0.00 H new ATOM 0 HG21 VAL A 145 3.805 -0.858 10.832 1.00 0.00 H new ATOM 0 HG22 VAL A 145 3.897 0.073 12.346 1.00 0.00 H new ATOM 0 HG23 VAL A 145 2.332 -0.140 11.525 1.00 0.00 H new ATOM 2258 N TYR A 146 2.702 4.109 9.568 1.00 0.00 N ATOM 2259 CA TYR A 146 2.971 5.298 8.770 1.00 0.00 C ATOM 2260 C TYR A 146 2.647 6.566 9.555 1.00 0.00 C ATOM 2261 O TYR A 146 3.394 7.543 9.513 1.00 0.00 O ATOM 2262 CB TYR A 146 2.158 5.265 7.474 1.00 0.00 C ATOM 2263 CG TYR A 146 1.820 6.637 6.937 1.00 0.00 C ATOM 2264 CD1 TYR A 146 2.776 7.405 6.283 1.00 0.00 C ATOM 2265 CD2 TYR A 146 0.543 7.167 7.082 1.00 0.00 C ATOM 2266 CE1 TYR A 146 2.472 8.658 5.790 1.00 0.00 C ATOM 2267 CE2 TYR A 146 0.229 8.418 6.591 1.00 0.00 C ATOM 2268 CZ TYR A 146 1.197 9.161 5.947 1.00 0.00 C ATOM 2269 OH TYR A 146 0.889 10.410 5.458 1.00 0.00 O ATOM 0 H TYR A 146 1.876 3.585 9.279 1.00 0.00 H new ATOM 0 HA TYR A 146 4.033 5.306 8.524 1.00 0.00 H new ATOM 0 HB2 TYR A 146 2.718 4.716 6.717 1.00 0.00 H new ATOM 0 HB3 TYR A 146 1.234 4.714 7.649 1.00 0.00 H new ATOM 0 HD1 TYR A 146 3.775 7.014 6.158 1.00 0.00 H new ATOM 0 HD2 TYR A 146 -0.217 6.590 7.588 1.00 0.00 H new ATOM 0 HE1 TYR A 146 3.228 9.241 5.284 1.00 0.00 H new ATOM 0 HE2 TYR A 146 -0.769 8.813 6.710 1.00 0.00 H new ATOM 0 HH TYR A 146 -0.050 10.614 5.650 1.00 0.00 H new ATOM 2279 N GLN A 147 1.527 6.540 10.271 1.00 0.00 N ATOM 2280 CA GLN A 147 1.103 7.686 11.065 1.00 0.00 C ATOM 2281 C GLN A 147 2.292 8.332 11.769 1.00 0.00 C ATOM 2282 O GLN A 147 2.614 9.494 11.525 1.00 0.00 O ATOM 2283 CB GLN A 147 0.055 7.260 12.096 1.00 0.00 C ATOM 2284 CG GLN A 147 -1.195 6.654 11.478 1.00 0.00 C ATOM 2285 CD GLN A 147 -2.162 7.704 10.970 1.00 0.00 C ATOM 2286 OE1 GLN A 147 -3.126 8.057 11.650 1.00 0.00 O ATOM 2287 NE2 GLN A 147 -1.909 8.210 9.769 1.00 0.00 N ATOM 0 H GLN A 147 0.898 5.738 10.317 1.00 0.00 H new ATOM 0 HA GLN A 147 0.662 8.419 10.390 1.00 0.00 H new ATOM 0 HB2 GLN A 147 0.501 6.536 12.777 1.00 0.00 H new ATOM 0 HB3 GLN A 147 -0.228 8.127 12.693 1.00 0.00 H new ATOM 0 HG2 GLN A 147 -0.908 6.001 10.654 1.00 0.00 H new ATOM 0 HG3 GLN A 147 -1.697 6.031 12.219 1.00 0.00 H new ATOM 0 HE21 GLN A 147 -1.098 7.888 9.240 1.00 0.00 H new ATOM 0 HE22 GLN A 147 -2.525 8.921 9.375 1.00 0.00 H new