USER MOD reduce.3.24.130724 H: found=0, std=0, add=820, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 821 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 57 TYR OH : rot -34:sc= -0.3 USER MOD Set 1.2: A 97 GLN : amide:sc= -8.01! C(o=-8.3!,f=-13!) USER MOD Set 1.3: A 107 MET CE :methyl 167:sc= 0 (180deg=0) USER MOD Set 2.1: A 87 THR OG1 : rot 139:sc= 1.24 USER MOD Set 2.2: A 92 TYR OH : rot 180:sc= 0.919 USER MOD Single : A 19 THR OG1 : rot -45:sc= 1 USER MOD Single : A 20 SER OG : rot 180:sc= -0.665 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot 180:sc= -0.161 USER MOD Single : A 29 SER OG : rot 180:sc= -0.467 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 THR OG1 : rot -168:sc= -2.38 USER MOD Single : A 40 ASN : amide:sc= -1.56! C(o=-1.6!,f=-6.7!) USER MOD Single : A 42 GLN : amide:sc= -1.68 X(o=-1.7,f=-1.9) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 48 ASN :FLIP amide:sc= 0.211 F(o=-1.7,f=0.21) USER MOD Single : A 50 LYS NZ :NH3+ 153:sc= 0.419 (180deg=-1.08!) USER MOD Single : A 52 THR OG1 : rot -42:sc= -0.103 USER MOD Single : A 54 TYR OH : rot -123:sc= -0.58 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 ASN : amide:sc= -0.0644 X(o=-0.064,f=0) USER MOD Single : A 67 HIS :FLIP no HD1:sc= -3.84! C(o=-4.9!,f=-3.8!) USER MOD Single : A 77 ASN :FLIP amide:sc= 0.563 F(o=-0.7,f=0.56) USER MOD Single : A 80 THR OG1 : rot 180:sc= -0.0512 USER MOD Single : A 81 HIS : no HD1:sc= -2.68 K(o=-2.7,f=-3.8!) USER MOD Single : A 82 GLN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 84 GLN : amide:sc= -0.0193 X(o=-0.019,f=-0.46) USER MOD Single : A 90 THR OG1 : rot 75:sc= 0.539 USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 ASN : amide:sc= -0.846! C(o=-0.85!,f=-8.4!) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 MET CE :methyl -159:sc=-0.00573 (180deg=-0.97) USER MOD Single : A 108 SER OG : rot 180:sc= 0.156 USER MOD Single : A 112 GLN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Single : A 115 THR OG1 : rot -87:sc= 1.06 USER MOD Single : A 117 LYS NZ :NH3+ -137:sc=-0.00478 (180deg=-1.05) USER MOD ----------------------------------------------------------------- ATOM 178 N LEU A 16 -22.328 -4.588 -3.206 1.00 0.00 N ATOM 179 CA LEU A 16 -21.532 -5.358 -4.157 1.00 0.00 C ATOM 180 C LEU A 16 -20.074 -4.909 -4.135 1.00 0.00 C ATOM 181 O LEU A 16 -19.745 -3.812 -4.586 1.00 0.00 O ATOM 182 CB LEU A 16 -22.102 -5.209 -5.568 1.00 0.00 C ATOM 183 CG LEU A 16 -23.565 -5.615 -5.747 1.00 0.00 C ATOM 184 CD1 LEU A 16 -24.078 -5.179 -7.110 1.00 0.00 C ATOM 185 CD2 LEU A 16 -23.727 -7.118 -5.570 1.00 0.00 C ATOM 0 HA LEU A 16 -21.575 -6.407 -3.864 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -21.995 -4.168 -5.874 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -21.494 -5.805 -6.249 1.00 0.00 H new ATOM 0 HG LEU A 16 -24.157 -5.113 -4.982 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -25.121 -5.477 -7.219 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -23.999 -4.096 -7.199 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -23.482 -5.652 -7.891 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -24.775 -7.389 -5.701 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -23.122 -7.639 -6.312 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -23.400 -7.404 -4.570 1.00 0.00 H new ATOM 197 N VAL A 17 -19.204 -5.765 -3.609 1.00 0.00 N ATOM 198 CA VAL A 17 -17.781 -5.458 -3.532 1.00 0.00 C ATOM 199 C VAL A 17 -17.274 -4.865 -4.842 1.00 0.00 C ATOM 200 O VAL A 17 -17.811 -5.127 -5.919 1.00 0.00 O ATOM 201 CB VAL A 17 -16.953 -6.713 -3.196 1.00 0.00 C ATOM 202 CG1 VAL A 17 -17.286 -7.214 -1.798 1.00 0.00 C ATOM 203 CG2 VAL A 17 -17.192 -7.801 -4.232 1.00 0.00 C ATOM 0 H VAL A 17 -19.460 -6.677 -3.230 1.00 0.00 H new ATOM 0 HA VAL A 17 -17.659 -4.726 -2.734 1.00 0.00 H new ATOM 0 HB VAL A 17 -15.896 -6.447 -3.219 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -16.692 -8.101 -1.578 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -17.060 -6.436 -1.069 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -18.345 -7.465 -1.744 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -16.599 -8.680 -3.979 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -18.249 -8.067 -4.243 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -16.899 -7.437 -5.217 1.00 0.00 H new ATOM 213 N PRO A 18 -16.215 -4.047 -4.751 1.00 0.00 N ATOM 214 CA PRO A 18 -15.612 -3.400 -5.920 1.00 0.00 C ATOM 215 C PRO A 18 -14.890 -4.394 -6.824 1.00 0.00 C ATOM 216 O PRO A 18 -13.747 -4.771 -6.563 1.00 0.00 O ATOM 217 CB PRO A 18 -14.615 -2.415 -5.305 1.00 0.00 C ATOM 218 CG PRO A 18 -14.279 -2.997 -3.975 1.00 0.00 C ATOM 219 CD PRO A 18 -15.525 -3.691 -3.500 1.00 0.00 C ATOM 0 HA PRO A 18 -16.361 -2.928 -6.557 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -13.726 -2.311 -5.927 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -15.051 -1.421 -5.204 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -13.448 -3.698 -4.054 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -13.974 -2.219 -3.275 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -15.291 -4.574 -2.905 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -16.136 -3.038 -2.876 1.00 0.00 H new ATOM 227 N THR A 19 -15.564 -4.815 -7.890 1.00 0.00 N ATOM 228 CA THR A 19 -14.988 -5.765 -8.832 1.00 0.00 C ATOM 229 C THR A 19 -14.102 -5.059 -9.852 1.00 0.00 C ATOM 230 O THR A 19 -13.816 -5.600 -10.920 1.00 0.00 O ATOM 231 CB THR A 19 -16.082 -6.553 -9.577 1.00 0.00 C ATOM 232 OG1 THR A 19 -15.487 -7.576 -10.382 1.00 0.00 O ATOM 233 CG2 THR A 19 -16.912 -5.627 -10.455 1.00 0.00 C ATOM 0 H THR A 19 -16.510 -4.512 -8.122 1.00 0.00 H new ATOM 0 HA THR A 19 -14.384 -6.460 -8.249 1.00 0.00 H new ATOM 0 HB THR A 19 -16.738 -7.011 -8.836 1.00 0.00 H new ATOM 0 HG1 THR A 19 -14.718 -7.207 -10.865 1.00 0.00 H new ATOM 0 HG21 THR A 19 -17.678 -6.205 -10.971 1.00 0.00 H new ATOM 0 HG22 THR A 19 -17.387 -4.867 -9.835 1.00 0.00 H new ATOM 0 HG23 THR A 19 -16.266 -5.145 -11.188 1.00 0.00 H new ATOM 241 N SER A 20 -13.670 -3.848 -9.516 1.00 0.00 N ATOM 242 CA SER A 20 -12.819 -3.066 -10.405 1.00 0.00 C ATOM 243 C SER A 20 -11.635 -2.476 -9.645 1.00 0.00 C ATOM 244 O SER A 20 -11.745 -2.084 -8.482 1.00 0.00 O ATOM 245 CB SER A 20 -13.626 -1.945 -11.064 1.00 0.00 C ATOM 246 OG SER A 20 -12.785 -1.080 -11.807 1.00 0.00 O ATOM 0 H SER A 20 -13.895 -3.387 -8.634 1.00 0.00 H new ATOM 0 HA SER A 20 -12.436 -3.732 -11.179 1.00 0.00 H new ATOM 0 HB2 SER A 20 -14.382 -2.375 -11.721 1.00 0.00 H new ATOM 0 HB3 SER A 20 -14.154 -1.375 -10.300 1.00 0.00 H new ATOM 0 HG SER A 20 -13.325 -0.374 -12.219 1.00 0.00 H new ATOM 252 N PRO A 21 -10.475 -2.411 -10.315 1.00 0.00 N ATOM 253 CA PRO A 21 -9.248 -1.870 -9.723 1.00 0.00 C ATOM 254 C PRO A 21 -9.323 -0.362 -9.510 1.00 0.00 C ATOM 255 O PRO A 21 -10.145 0.333 -10.107 1.00 0.00 O ATOM 256 CB PRO A 21 -8.174 -2.212 -10.758 1.00 0.00 C ATOM 257 CG PRO A 21 -8.912 -2.320 -12.048 1.00 0.00 C ATOM 258 CD PRO A 21 -10.273 -2.860 -11.703 1.00 0.00 C ATOM 0 HA PRO A 21 -9.054 -2.287 -8.735 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -7.408 -1.438 -10.804 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -7.669 -3.146 -10.511 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -8.990 -1.348 -12.536 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -8.393 -2.983 -12.740 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -11.042 -2.467 -12.368 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -10.307 -3.947 -11.783 1.00 0.00 H new ATOM 266 N PRO A 22 -8.444 0.158 -8.640 1.00 0.00 N ATOM 267 CA PRO A 22 -8.390 1.589 -8.330 1.00 0.00 C ATOM 268 C PRO A 22 -7.870 2.417 -9.500 1.00 0.00 C ATOM 269 O PRO A 22 -7.627 1.891 -10.587 1.00 0.00 O ATOM 270 CB PRO A 22 -7.417 1.660 -7.151 1.00 0.00 C ATOM 271 CG PRO A 22 -6.557 0.453 -7.296 1.00 0.00 C ATOM 272 CD PRO A 22 -7.435 -0.612 -7.893 1.00 0.00 C ATOM 0 HA PRO A 22 -9.377 1.996 -8.111 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -6.824 2.574 -7.181 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -7.948 1.656 -6.199 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -5.701 0.659 -7.939 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -6.162 0.137 -6.330 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -6.872 -1.277 -8.547 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -7.892 -1.234 -7.124 1.00 0.00 H new ATOM 280 N LYS A 23 -7.702 3.715 -9.272 1.00 0.00 N ATOM 281 CA LYS A 23 -7.209 4.616 -10.307 1.00 0.00 C ATOM 282 C LYS A 23 -6.244 5.642 -9.720 1.00 0.00 C ATOM 283 O LYS A 23 -6.041 5.695 -8.507 1.00 0.00 O ATOM 284 CB LYS A 23 -8.378 5.332 -10.988 1.00 0.00 C ATOM 285 CG LYS A 23 -9.639 4.490 -11.074 1.00 0.00 C ATOM 286 CD LYS A 23 -10.767 5.243 -11.759 1.00 0.00 C ATOM 287 CE LYS A 23 -11.335 6.332 -10.863 1.00 0.00 C ATOM 288 NZ LYS A 23 -11.956 7.432 -11.651 1.00 0.00 N ATOM 0 H LYS A 23 -7.900 4.167 -8.379 1.00 0.00 H new ATOM 0 HA LYS A 23 -6.674 4.021 -11.047 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -8.600 6.249 -10.442 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -8.077 5.625 -11.994 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -9.428 3.572 -11.622 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -9.952 4.198 -10.071 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -10.400 5.687 -12.685 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -11.559 4.545 -12.032 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -12.079 5.900 -10.194 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -10.541 6.738 -10.237 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -12.331 8.154 -11.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -11.240 7.862 -12.271 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -12.731 7.050 -12.230 1.00 0.00 H new ATOM 302 N ASP A 24 -5.652 6.455 -10.589 1.00 0.00 N ATOM 303 CA ASP A 24 -4.710 7.481 -10.156 1.00 0.00 C ATOM 304 C ASP A 24 -3.693 6.906 -9.175 1.00 0.00 C ATOM 305 O ASP A 24 -3.277 7.578 -8.231 1.00 0.00 O ATOM 306 CB ASP A 24 -5.457 8.649 -9.510 1.00 0.00 C ATOM 307 CG ASP A 24 -6.028 9.609 -10.535 1.00 0.00 C ATOM 308 OD1 ASP A 24 -5.309 9.942 -11.500 1.00 0.00 O ATOM 309 OD2 ASP A 24 -7.193 10.029 -10.371 1.00 0.00 O ATOM 0 H ASP A 24 -5.808 6.423 -11.597 1.00 0.00 H new ATOM 0 HA ASP A 24 -4.176 7.843 -11.034 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -6.265 8.261 -8.890 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -4.779 9.189 -8.849 1.00 0.00 H new ATOM 314 N VAL A 25 -3.297 5.658 -9.405 1.00 0.00 N ATOM 315 CA VAL A 25 -2.329 4.993 -8.542 1.00 0.00 C ATOM 316 C VAL A 25 -0.932 5.571 -8.735 1.00 0.00 C ATOM 317 O VAL A 25 -0.271 5.305 -9.740 1.00 0.00 O ATOM 318 CB VAL A 25 -2.287 3.476 -8.810 1.00 0.00 C ATOM 319 CG1 VAL A 25 -1.170 2.823 -8.010 1.00 0.00 C ATOM 320 CG2 VAL A 25 -3.630 2.841 -8.483 1.00 0.00 C ATOM 0 H VAL A 25 -3.632 5.088 -10.182 1.00 0.00 H new ATOM 0 HA VAL A 25 -2.651 5.164 -7.515 1.00 0.00 H new ATOM 0 HB VAL A 25 -2.083 3.317 -9.869 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -1.156 1.752 -8.212 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -0.213 3.259 -8.298 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -1.339 2.989 -6.946 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -3.583 1.770 -8.678 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -3.865 3.009 -7.432 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -4.405 3.289 -9.104 1.00 0.00 H new ATOM 330 N THR A 26 -0.485 6.363 -7.765 1.00 0.00 N ATOM 331 CA THR A 26 0.834 6.980 -7.828 1.00 0.00 C ATOM 332 C THR A 26 1.651 6.659 -6.582 1.00 0.00 C ATOM 333 O THR A 26 1.097 6.416 -5.510 1.00 0.00 O ATOM 334 CB THR A 26 0.732 8.509 -7.982 1.00 0.00 C ATOM 335 OG1 THR A 26 -0.160 9.043 -6.996 1.00 0.00 O ATOM 336 CG2 THR A 26 0.239 8.882 -9.373 1.00 0.00 C ATOM 0 H THR A 26 -1.018 6.592 -6.926 1.00 0.00 H new ATOM 0 HA THR A 26 1.335 6.567 -8.704 1.00 0.00 H new ATOM 0 HB THR A 26 1.726 8.933 -7.840 1.00 0.00 H new ATOM 0 HG1 THR A 26 -0.218 10.016 -7.100 1.00 0.00 H new ATOM 0 HG21 THR A 26 0.175 9.967 -9.458 1.00 0.00 H new ATOM 0 HG22 THR A 26 0.935 8.500 -10.120 1.00 0.00 H new ATOM 0 HG23 THR A 26 -0.746 8.447 -9.539 1.00 0.00 H new ATOM 344 N VAL A 27 2.972 6.661 -6.730 1.00 0.00 N ATOM 345 CA VAL A 27 3.866 6.372 -5.615 1.00 0.00 C ATOM 346 C VAL A 27 4.976 7.413 -5.517 1.00 0.00 C ATOM 347 O VAL A 27 5.857 7.480 -6.374 1.00 0.00 O ATOM 348 CB VAL A 27 4.498 4.974 -5.751 1.00 0.00 C ATOM 349 CG1 VAL A 27 5.334 4.645 -4.523 1.00 0.00 C ATOM 350 CG2 VAL A 27 3.422 3.922 -5.971 1.00 0.00 C ATOM 0 H VAL A 27 3.447 6.859 -7.611 1.00 0.00 H new ATOM 0 HA VAL A 27 3.262 6.403 -4.708 1.00 0.00 H new ATOM 0 HB VAL A 27 5.156 4.974 -6.620 1.00 0.00 H new ATOM 0 HG11 VAL A 27 5.773 3.654 -4.636 1.00 0.00 H new ATOM 0 HG12 VAL A 27 6.129 5.383 -4.415 1.00 0.00 H new ATOM 0 HG13 VAL A 27 4.700 4.662 -3.636 1.00 0.00 H new ATOM 0 HG21 VAL A 27 3.887 2.940 -6.065 1.00 0.00 H new ATOM 0 HG22 VAL A 27 2.737 3.920 -5.123 1.00 0.00 H new ATOM 0 HG23 VAL A 27 2.870 4.151 -6.883 1.00 0.00 H new ATOM 360 N VAL A 28 4.928 8.224 -4.465 1.00 0.00 N ATOM 361 CA VAL A 28 5.930 9.261 -4.252 1.00 0.00 C ATOM 362 C VAL A 28 6.779 8.961 -3.022 1.00 0.00 C ATOM 363 O VAL A 28 6.503 8.020 -2.279 1.00 0.00 O ATOM 364 CB VAL A 28 5.278 10.647 -4.087 1.00 0.00 C ATOM 365 CG1 VAL A 28 4.489 11.017 -5.334 1.00 0.00 C ATOM 366 CG2 VAL A 28 4.387 10.672 -2.855 1.00 0.00 C ATOM 0 H VAL A 28 4.205 8.183 -3.747 1.00 0.00 H new ATOM 0 HA VAL A 28 6.567 9.271 -5.136 1.00 0.00 H new ATOM 0 HB VAL A 28 6.066 11.388 -3.952 1.00 0.00 H new ATOM 0 HG11 VAL A 28 4.035 11.999 -5.200 1.00 0.00 H new ATOM 0 HG12 VAL A 28 5.158 11.041 -6.194 1.00 0.00 H new ATOM 0 HG13 VAL A 28 3.707 10.276 -5.503 1.00 0.00 H new ATOM 0 HG21 VAL A 28 3.934 11.658 -2.753 1.00 0.00 H new ATOM 0 HG22 VAL A 28 3.603 9.922 -2.958 1.00 0.00 H new ATOM 0 HG23 VAL A 28 4.984 10.454 -1.970 1.00 0.00 H new ATOM 376 N SER A 29 7.813 9.769 -2.813 1.00 0.00 N ATOM 377 CA SER A 29 8.706 9.589 -1.674 1.00 0.00 C ATOM 378 C SER A 29 8.437 10.640 -0.601 1.00 0.00 C ATOM 379 O SER A 29 7.737 11.624 -0.841 1.00 0.00 O ATOM 380 CB SER A 29 10.166 9.667 -2.125 1.00 0.00 C ATOM 381 OG SER A 29 11.034 9.825 -1.017 1.00 0.00 O ATOM 0 H SER A 29 8.053 10.555 -3.417 1.00 0.00 H new ATOM 0 HA SER A 29 8.517 8.603 -1.249 1.00 0.00 H new ATOM 0 HB2 SER A 29 10.430 8.762 -2.671 1.00 0.00 H new ATOM 0 HB3 SER A 29 10.293 10.503 -2.813 1.00 0.00 H new ATOM 0 HG SER A 29 11.961 9.871 -1.332 1.00 0.00 H new ATOM 387 N LYS A 30 8.998 10.424 0.584 1.00 0.00 N ATOM 388 CA LYS A 30 8.821 11.351 1.695 1.00 0.00 C ATOM 389 C LYS A 30 9.852 12.474 1.636 1.00 0.00 C ATOM 390 O LYS A 30 10.971 12.276 1.163 1.00 0.00 O ATOM 391 CB LYS A 30 8.935 10.609 3.029 1.00 0.00 C ATOM 392 CG LYS A 30 8.728 11.501 4.241 1.00 0.00 C ATOM 393 CD LYS A 30 7.275 11.509 4.685 1.00 0.00 C ATOM 394 CE LYS A 30 7.103 12.225 6.016 1.00 0.00 C ATOM 395 NZ LYS A 30 7.159 13.705 5.861 1.00 0.00 N ATOM 0 H LYS A 30 9.580 9.614 0.800 1.00 0.00 H new ATOM 0 HA LYS A 30 7.826 11.790 1.614 1.00 0.00 H new ATOM 0 HB2 LYS A 30 8.201 9.804 3.051 1.00 0.00 H new ATOM 0 HB3 LYS A 30 9.919 10.145 3.094 1.00 0.00 H new ATOM 0 HG2 LYS A 30 9.358 11.155 5.060 1.00 0.00 H new ATOM 0 HG3 LYS A 30 9.043 12.517 4.004 1.00 0.00 H new ATOM 0 HD2 LYS A 30 6.664 11.998 3.926 1.00 0.00 H new ATOM 0 HD3 LYS A 30 6.915 10.484 4.773 1.00 0.00 H new ATOM 0 HE2 LYS A 30 6.148 11.942 6.460 1.00 0.00 H new ATOM 0 HE3 LYS A 30 7.883 11.902 6.705 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 7.038 14.156 6.790 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 8.080 13.978 5.461 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 6.399 14.016 5.223 1.00 0.00 H new ATOM 409 N GLU A 31 9.468 13.650 2.121 1.00 0.00 N ATOM 410 CA GLU A 31 10.361 14.803 2.123 1.00 0.00 C ATOM 411 C GLU A 31 11.366 14.711 3.268 1.00 0.00 C ATOM 412 O GLU A 31 11.042 15.006 4.418 1.00 0.00 O ATOM 413 CB GLU A 31 9.556 16.099 2.239 1.00 0.00 C ATOM 414 CG GLU A 31 10.386 17.353 2.019 1.00 0.00 C ATOM 415 CD GLU A 31 9.550 18.532 1.560 1.00 0.00 C ATOM 416 OE1 GLU A 31 8.876 18.410 0.516 1.00 0.00 O ATOM 417 OE2 GLU A 31 9.571 19.577 2.244 1.00 0.00 O ATOM 0 H GLU A 31 8.545 13.830 2.517 1.00 0.00 H new ATOM 0 HA GLU A 31 10.909 14.807 1.181 1.00 0.00 H new ATOM 0 HB2 GLU A 31 8.744 16.079 1.512 1.00 0.00 H new ATOM 0 HB3 GLU A 31 9.098 16.145 3.227 1.00 0.00 H new ATOM 0 HG2 GLU A 31 10.897 17.613 2.946 1.00 0.00 H new ATOM 0 HG3 GLU A 31 11.157 17.148 1.277 1.00 0.00 H new ATOM 424 N GLY A 32 12.587 14.298 2.944 1.00 0.00 N ATOM 425 CA GLY A 32 13.621 14.174 3.955 1.00 0.00 C ATOM 426 C GLY A 32 14.012 12.731 4.210 1.00 0.00 C ATOM 427 O GLY A 32 15.194 12.414 4.340 1.00 0.00 O ATOM 0 H GLY A 32 12.879 14.047 1.999 1.00 0.00 H new ATOM 0 HA2 GLY A 32 14.501 14.736 3.641 1.00 0.00 H new ATOM 0 HA3 GLY A 32 13.271 14.622 4.885 1.00 0.00 H new ATOM 431 N LYS A 33 13.016 11.854 4.283 1.00 0.00 N ATOM 432 CA LYS A 33 13.260 10.437 4.525 1.00 0.00 C ATOM 433 C LYS A 33 13.079 9.628 3.245 1.00 0.00 C ATOM 434 O LYS A 33 11.967 9.446 2.749 1.00 0.00 O ATOM 435 CB LYS A 33 12.317 9.914 5.610 1.00 0.00 C ATOM 436 CG LYS A 33 12.548 8.455 5.965 1.00 0.00 C ATOM 437 CD LYS A 33 13.945 8.230 6.518 1.00 0.00 C ATOM 438 CE LYS A 33 13.976 7.067 7.497 1.00 0.00 C ATOM 439 NZ LYS A 33 15.038 7.238 8.527 1.00 0.00 N ATOM 0 H LYS A 33 12.032 12.100 4.178 1.00 0.00 H new ATOM 0 HA LYS A 33 14.290 10.323 4.863 1.00 0.00 H new ATOM 0 HB2 LYS A 33 12.437 10.521 6.507 1.00 0.00 H new ATOM 0 HB3 LYS A 33 11.287 10.039 5.276 1.00 0.00 H new ATOM 0 HG2 LYS A 33 11.809 8.137 6.701 1.00 0.00 H new ATOM 0 HG3 LYS A 33 12.402 7.837 5.079 1.00 0.00 H new ATOM 0 HD2 LYS A 33 14.635 8.035 5.697 1.00 0.00 H new ATOM 0 HD3 LYS A 33 14.290 9.136 7.016 1.00 0.00 H new ATOM 0 HE2 LYS A 33 13.006 6.978 7.986 1.00 0.00 H new ATOM 0 HE3 LYS A 33 14.144 6.138 6.952 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 15.027 6.425 9.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 15.966 7.297 8.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 14.863 8.111 9.064 1.00 0.00 H new ATOM 453 N PRO A 34 14.197 9.129 2.696 1.00 0.00 N ATOM 454 CA PRO A 34 14.186 8.329 1.467 1.00 0.00 C ATOM 455 C PRO A 34 13.557 6.955 1.675 1.00 0.00 C ATOM 456 O PRO A 34 12.708 6.525 0.894 1.00 0.00 O ATOM 457 CB PRO A 34 15.671 8.191 1.122 1.00 0.00 C ATOM 458 CG PRO A 34 16.379 8.342 2.424 1.00 0.00 C ATOM 459 CD PRO A 34 15.556 9.306 3.233 1.00 0.00 C ATOM 0 HA PRO A 34 13.593 8.796 0.681 1.00 0.00 H new ATOM 0 HB2 PRO A 34 15.883 7.224 0.666 1.00 0.00 H new ATOM 0 HB3 PRO A 34 15.985 8.955 0.410 1.00 0.00 H new ATOM 0 HG2 PRO A 34 16.469 7.382 2.933 1.00 0.00 H new ATOM 0 HG3 PRO A 34 17.391 8.720 2.277 1.00 0.00 H new ATOM 0 HD2 PRO A 34 15.600 9.077 4.298 1.00 0.00 H new ATOM 0 HD3 PRO A 34 15.905 10.332 3.113 1.00 0.00 H new ATOM 467 N LYS A 35 13.979 6.271 2.733 1.00 0.00 N ATOM 468 CA LYS A 35 13.456 4.946 3.046 1.00 0.00 C ATOM 469 C LYS A 35 11.940 4.983 3.204 1.00 0.00 C ATOM 470 O LYS A 35 11.274 3.948 3.160 1.00 0.00 O ATOM 471 CB LYS A 35 14.100 4.410 4.326 1.00 0.00 C ATOM 472 CG LYS A 35 15.445 3.742 4.097 1.00 0.00 C ATOM 473 CD LYS A 35 16.178 3.500 5.406 1.00 0.00 C ATOM 474 CE LYS A 35 17.071 4.676 5.771 1.00 0.00 C ATOM 475 NZ LYS A 35 18.020 4.334 6.866 1.00 0.00 N ATOM 0 H LYS A 35 14.682 6.612 3.389 1.00 0.00 H new ATOM 0 HA LYS A 35 13.701 4.281 2.218 1.00 0.00 H new ATOM 0 HB2 LYS A 35 14.227 5.232 5.030 1.00 0.00 H new ATOM 0 HB3 LYS A 35 13.423 3.694 4.791 1.00 0.00 H new ATOM 0 HG2 LYS A 35 15.298 2.793 3.581 1.00 0.00 H new ATOM 0 HG3 LYS A 35 16.057 4.367 3.447 1.00 0.00 H new ATOM 0 HD2 LYS A 35 15.454 3.330 6.203 1.00 0.00 H new ATOM 0 HD3 LYS A 35 16.781 2.596 5.325 1.00 0.00 H new ATOM 0 HE2 LYS A 35 17.631 4.993 4.891 1.00 0.00 H new ATOM 0 HE3 LYS A 35 16.453 5.520 6.077 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 18.610 5.162 7.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 17.486 4.056 7.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 18.628 3.545 6.565 1.00 0.00 H new ATOM 489 N THR A 36 11.397 6.183 3.388 1.00 0.00 N ATOM 490 CA THR A 36 9.959 6.355 3.552 1.00 0.00 C ATOM 491 C THR A 36 9.315 6.857 2.266 1.00 0.00 C ATOM 492 O THR A 36 9.840 7.755 1.607 1.00 0.00 O ATOM 493 CB THR A 36 9.638 7.339 4.693 1.00 0.00 C ATOM 494 OG1 THR A 36 10.173 6.850 5.928 1.00 0.00 O ATOM 495 CG2 THR A 36 8.136 7.538 4.829 1.00 0.00 C ATOM 0 H THR A 36 11.932 7.050 3.427 1.00 0.00 H new ATOM 0 HA THR A 36 9.550 5.376 3.801 1.00 0.00 H new ATOM 0 HB THR A 36 10.096 8.299 4.454 1.00 0.00 H new ATOM 0 HG1 THR A 36 9.809 7.373 6.672 1.00 0.00 H new ATOM 0 HG21 THR A 36 7.934 8.237 5.641 1.00 0.00 H new ATOM 0 HG22 THR A 36 7.736 7.939 3.897 1.00 0.00 H new ATOM 0 HG23 THR A 36 7.660 6.582 5.046 1.00 0.00 H new ATOM 503 N ILE A 37 8.174 6.274 1.914 1.00 0.00 N ATOM 504 CA ILE A 37 7.458 6.665 0.706 1.00 0.00 C ATOM 505 C ILE A 37 5.961 6.790 0.971 1.00 0.00 C ATOM 506 O ILE A 37 5.435 6.192 1.910 1.00 0.00 O ATOM 507 CB ILE A 37 7.683 5.654 -0.434 1.00 0.00 C ATOM 508 CG1 ILE A 37 7.051 4.306 -0.082 1.00 0.00 C ATOM 509 CG2 ILE A 37 9.170 5.492 -0.712 1.00 0.00 C ATOM 510 CD1 ILE A 37 6.578 3.527 -1.289 1.00 0.00 C ATOM 0 H ILE A 37 7.726 5.529 2.448 1.00 0.00 H new ATOM 0 HA ILE A 37 7.854 7.635 0.404 1.00 0.00 H new ATOM 0 HB ILE A 37 7.204 6.034 -1.336 1.00 0.00 H new ATOM 0 HG12 ILE A 37 7.777 3.706 0.466 1.00 0.00 H new ATOM 0 HG13 ILE A 37 6.206 4.473 0.586 1.00 0.00 H new ATOM 0 HG21 ILE A 37 9.313 4.774 -1.520 1.00 0.00 H new ATOM 0 HG22 ILE A 37 9.593 6.454 -1.002 1.00 0.00 H new ATOM 0 HG23 ILE A 37 9.671 5.131 0.186 1.00 0.00 H new ATOM 0 HD11 ILE A 37 6.141 2.583 -0.964 1.00 0.00 H new ATOM 0 HD12 ILE A 37 5.828 4.108 -1.826 1.00 0.00 H new ATOM 0 HD13 ILE A 37 7.423 3.328 -1.948 1.00 0.00 H new ATOM 522 N ILE A 38 5.282 7.569 0.136 1.00 0.00 N ATOM 523 CA ILE A 38 3.845 7.770 0.279 1.00 0.00 C ATOM 524 C ILE A 38 3.102 7.343 -0.983 1.00 0.00 C ATOM 525 O ILE A 38 3.318 7.897 -2.061 1.00 0.00 O ATOM 526 CB ILE A 38 3.510 9.242 0.585 1.00 0.00 C ATOM 527 CG1 ILE A 38 4.158 9.672 1.903 1.00 0.00 C ATOM 528 CG2 ILE A 38 2.003 9.442 0.639 1.00 0.00 C ATOM 529 CD1 ILE A 38 5.580 10.162 1.745 1.00 0.00 C ATOM 0 H ILE A 38 5.703 8.071 -0.646 1.00 0.00 H new ATOM 0 HA ILE A 38 3.521 7.151 1.116 1.00 0.00 H new ATOM 0 HB ILE A 38 3.911 9.864 -0.215 1.00 0.00 H new ATOM 0 HG12 ILE A 38 3.558 10.463 2.353 1.00 0.00 H new ATOM 0 HG13 ILE A 38 4.147 8.830 2.596 1.00 0.00 H new ATOM 0 HG21 ILE A 38 1.782 10.487 0.856 1.00 0.00 H new ATOM 0 HG22 ILE A 38 1.565 9.171 -0.322 1.00 0.00 H new ATOM 0 HG23 ILE A 38 1.580 8.812 1.421 1.00 0.00 H new ATOM 0 HD11 ILE A 38 5.976 10.450 2.719 1.00 0.00 H new ATOM 0 HD12 ILE A 38 6.194 9.366 1.324 1.00 0.00 H new ATOM 0 HD13 ILE A 38 5.596 11.024 1.078 1.00 0.00 H new ATOM 541 N VAL A 39 2.224 6.355 -0.840 1.00 0.00 N ATOM 542 CA VAL A 39 1.447 5.855 -1.968 1.00 0.00 C ATOM 543 C VAL A 39 0.078 6.524 -2.031 1.00 0.00 C ATOM 544 O VAL A 39 -0.712 6.434 -1.093 1.00 0.00 O ATOM 545 CB VAL A 39 1.256 4.329 -1.885 1.00 0.00 C ATOM 546 CG1 VAL A 39 0.422 3.831 -3.056 1.00 0.00 C ATOM 547 CG2 VAL A 39 2.605 3.626 -1.843 1.00 0.00 C ATOM 0 H VAL A 39 2.033 5.885 0.045 1.00 0.00 H new ATOM 0 HA VAL A 39 2.008 6.095 -2.871 1.00 0.00 H new ATOM 0 HB VAL A 39 0.721 4.096 -0.964 1.00 0.00 H new ATOM 0 HG11 VAL A 39 0.298 2.751 -2.981 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -0.556 4.311 -3.036 1.00 0.00 H new ATOM 0 HG13 VAL A 39 0.926 4.074 -3.991 1.00 0.00 H new ATOM 0 HG21 VAL A 39 2.452 2.548 -1.784 1.00 0.00 H new ATOM 0 HG22 VAL A 39 3.168 3.864 -2.746 1.00 0.00 H new ATOM 0 HG23 VAL A 39 3.163 3.961 -0.969 1.00 0.00 H new ATOM 557 N ASN A 40 -0.195 7.196 -3.145 1.00 0.00 N ATOM 558 CA ASN A 40 -1.469 7.881 -3.332 1.00 0.00 C ATOM 559 C ASN A 40 -2.316 7.177 -4.387 1.00 0.00 C ATOM 560 O ASN A 40 -1.797 6.431 -5.218 1.00 0.00 O ATOM 561 CB ASN A 40 -1.233 9.337 -3.739 1.00 0.00 C ATOM 562 CG ASN A 40 0.054 9.897 -3.165 1.00 0.00 C ATOM 563 OD1 ASN A 40 1.119 9.294 -3.296 1.00 0.00 O ATOM 564 ND2 ASN A 40 -0.040 11.057 -2.524 1.00 0.00 N ATOM 0 H ASN A 40 0.449 7.281 -3.932 1.00 0.00 H new ATOM 0 HA ASN A 40 -2.008 7.858 -2.385 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -1.203 9.407 -4.826 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -2.072 9.946 -3.403 1.00 0.00 H new ATOM 0 HD21 ASN A 40 0.792 11.483 -2.116 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -0.944 11.521 -2.440 1.00 0.00 H new ATOM 571 N TRP A 41 -3.621 7.419 -4.348 1.00 0.00 N ATOM 572 CA TRP A 41 -4.540 6.809 -5.302 1.00 0.00 C ATOM 573 C TRP A 41 -5.952 7.356 -5.124 1.00 0.00 C ATOM 574 O TRP A 41 -6.194 8.204 -4.266 1.00 0.00 O ATOM 575 CB TRP A 41 -4.545 5.288 -5.135 1.00 0.00 C ATOM 576 CG TRP A 41 -5.131 4.835 -3.832 1.00 0.00 C ATOM 577 CD1 TRP A 41 -6.443 4.555 -3.577 1.00 0.00 C ATOM 578 CD2 TRP A 41 -4.425 4.612 -2.607 1.00 0.00 C ATOM 579 NE1 TRP A 41 -6.595 4.171 -2.267 1.00 0.00 N ATOM 580 CE2 TRP A 41 -5.372 4.197 -1.650 1.00 0.00 C ATOM 581 CE3 TRP A 41 -3.085 4.721 -2.225 1.00 0.00 C ATOM 582 CZ2 TRP A 41 -5.020 3.892 -0.338 1.00 0.00 C ATOM 583 CZ3 TRP A 41 -2.737 4.418 -0.922 1.00 0.00 C ATOM 584 CH2 TRP A 41 -3.701 4.008 0.009 1.00 0.00 C ATOM 0 H TRP A 41 -4.067 8.033 -3.666 1.00 0.00 H new ATOM 0 HA TRP A 41 -4.198 7.057 -6.307 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -5.110 4.842 -5.954 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -3.523 4.918 -5.214 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -7.243 4.625 -4.299 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -7.476 3.909 -1.825 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -2.335 5.036 -2.935 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -5.761 3.575 0.381 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -1.704 4.499 -0.616 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -3.397 3.779 1.020 1.00 0.00 H new ATOM 595 N GLN A 42 -6.880 6.865 -5.939 1.00 0.00 N ATOM 596 CA GLN A 42 -8.267 7.307 -5.871 1.00 0.00 C ATOM 597 C GLN A 42 -9.222 6.132 -6.053 1.00 0.00 C ATOM 598 O GLN A 42 -8.875 5.103 -6.633 1.00 0.00 O ATOM 599 CB GLN A 42 -8.539 8.371 -6.935 1.00 0.00 C ATOM 600 CG GLN A 42 -7.992 9.743 -6.578 1.00 0.00 C ATOM 601 CD GLN A 42 -8.779 10.416 -5.470 1.00 0.00 C ATOM 602 OE1 GLN A 42 -8.235 10.735 -4.412 1.00 0.00 O ATOM 603 NE2 GLN A 42 -10.067 10.635 -5.708 1.00 0.00 N ATOM 0 H GLN A 42 -6.696 6.161 -6.654 1.00 0.00 H new ATOM 0 HA GLN A 42 -8.436 7.739 -4.885 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -8.100 8.049 -7.879 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -9.615 8.448 -7.093 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -6.951 9.646 -6.271 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -8.005 10.377 -7.465 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -10.476 10.354 -6.599 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -10.647 11.084 -5.000 1.00 0.00 H new ATOM 612 N PRO A 43 -10.455 6.287 -5.548 1.00 0.00 N ATOM 613 CA PRO A 43 -11.486 5.249 -5.644 1.00 0.00 C ATOM 614 C PRO A 43 -11.988 5.060 -7.071 1.00 0.00 C ATOM 615 O PRO A 43 -12.113 6.013 -7.842 1.00 0.00 O ATOM 616 CB PRO A 43 -12.608 5.779 -4.747 1.00 0.00 C ATOM 617 CG PRO A 43 -12.420 7.257 -4.740 1.00 0.00 C ATOM 618 CD PRO A 43 -10.938 7.487 -4.845 1.00 0.00 C ATOM 0 HA PRO A 43 -11.109 4.271 -5.345 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -13.589 5.506 -5.137 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -12.539 5.366 -3.741 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -12.947 7.721 -5.574 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -12.819 7.697 -3.826 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -10.711 8.397 -5.401 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -10.477 7.590 -3.863 1.00 0.00 H new ATOM 626 N PRO A 44 -12.286 3.804 -7.434 1.00 0.00 N ATOM 627 CA PRO A 44 -12.781 3.462 -8.770 1.00 0.00 C ATOM 628 C PRO A 44 -14.198 3.971 -9.011 1.00 0.00 C ATOM 629 O PRO A 44 -14.914 4.310 -8.070 1.00 0.00 O ATOM 630 CB PRO A 44 -12.754 1.931 -8.778 1.00 0.00 C ATOM 631 CG PRO A 44 -12.867 1.544 -7.344 1.00 0.00 C ATOM 632 CD PRO A 44 -12.162 2.620 -6.567 1.00 0.00 C ATOM 0 HA PRO A 44 -12.178 3.916 -9.556 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -13.577 1.523 -9.364 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -11.831 1.553 -9.219 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -13.911 1.466 -7.042 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -12.410 0.571 -7.165 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -12.627 2.784 -5.595 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -11.119 2.364 -6.383 1.00 0.00 H new ATOM 640 N SER A 45 -14.596 4.020 -10.278 1.00 0.00 N ATOM 641 CA SER A 45 -15.927 4.491 -10.643 1.00 0.00 C ATOM 642 C SER A 45 -17.003 3.560 -10.092 1.00 0.00 C ATOM 643 O SER A 45 -18.046 4.011 -9.619 1.00 0.00 O ATOM 644 CB SER A 45 -16.056 4.593 -12.164 1.00 0.00 C ATOM 645 OG SER A 45 -17.270 5.225 -12.532 1.00 0.00 O ATOM 0 H SER A 45 -14.016 3.739 -11.069 1.00 0.00 H new ATOM 0 HA SER A 45 -16.068 5.480 -10.206 1.00 0.00 H new ATOM 0 HB2 SER A 45 -15.213 5.155 -12.567 1.00 0.00 H new ATOM 0 HB3 SER A 45 -16.014 3.596 -12.603 1.00 0.00 H new ATOM 0 HG SER A 45 -17.328 5.279 -13.509 1.00 0.00 H new ATOM 651 N GLU A 46 -16.740 2.259 -10.156 1.00 0.00 N ATOM 652 CA GLU A 46 -17.686 1.264 -9.664 1.00 0.00 C ATOM 653 C GLU A 46 -18.277 1.691 -8.324 1.00 0.00 C ATOM 654 O GLU A 46 -19.477 1.941 -8.214 1.00 0.00 O ATOM 655 CB GLU A 46 -17.000 -0.097 -9.521 1.00 0.00 C ATOM 656 CG GLU A 46 -16.949 -0.891 -10.815 1.00 0.00 C ATOM 657 CD GLU A 46 -18.302 -0.993 -11.492 1.00 0.00 C ATOM 658 OE1 GLU A 46 -19.323 -1.015 -10.774 1.00 0.00 O ATOM 659 OE2 GLU A 46 -18.339 -1.050 -12.739 1.00 0.00 O ATOM 0 H GLU A 46 -15.881 1.869 -10.543 1.00 0.00 H new ATOM 0 HA GLU A 46 -18.496 1.181 -10.389 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -15.984 0.054 -9.157 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -17.525 -0.682 -8.766 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -16.240 -0.421 -11.497 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -16.575 -1.893 -10.607 1.00 0.00 H new ATOM 666 N ALA A 47 -17.425 1.772 -7.307 1.00 0.00 N ATOM 667 CA ALA A 47 -17.862 2.170 -5.974 1.00 0.00 C ATOM 668 C ALA A 47 -19.270 1.662 -5.683 1.00 0.00 C ATOM 669 O ALA A 47 -20.114 2.399 -5.176 1.00 0.00 O ATOM 670 CB ALA A 47 -17.805 3.684 -5.831 1.00 0.00 C ATOM 0 H ALA A 47 -16.428 1.567 -7.381 1.00 0.00 H new ATOM 0 HA ALA A 47 -17.185 1.721 -5.247 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -18.134 3.968 -4.831 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -16.782 4.026 -5.987 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -18.458 4.144 -6.572 1.00 0.00 H new ATOM 676 N ASN A 48 -19.516 0.397 -6.009 1.00 0.00 N ATOM 677 CA ASN A 48 -20.823 -0.210 -5.783 1.00 0.00 C ATOM 678 C ASN A 48 -21.023 -0.538 -4.307 1.00 0.00 C ATOM 679 O ASN A 48 -21.347 -1.670 -3.950 1.00 0.00 O ATOM 680 CB ASN A 48 -20.971 -1.479 -6.624 1.00 0.00 C ATOM 681 CG ASN A 48 -20.366 -1.331 -8.007 1.00 0.00 C ATOM 682 OD1 ASN A 48 -19.331 -2.114 -8.287 1.00 0.00 O flip ATOM 683 ND2 ASN A 48 -20.824 -0.521 -8.813 1.00 0.00 N flip ATOM 0 H ASN A 48 -18.828 -0.227 -6.430 1.00 0.00 H new ATOM 0 HA ASN A 48 -21.586 0.508 -6.083 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -20.492 -2.311 -6.108 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -22.028 -1.728 -6.718 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -21.621 0.061 -8.555 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -20.406 -0.432 -9.739 1.00 0.00 H new ATOM 690 N GLY A 49 -20.827 0.461 -3.452 1.00 0.00 N ATOM 691 CA GLY A 49 -20.990 0.258 -2.024 1.00 0.00 C ATOM 692 C GLY A 49 -20.103 1.174 -1.203 1.00 0.00 C ATOM 693 O GLY A 49 -18.916 1.323 -1.491 1.00 0.00 O ATOM 0 H GLY A 49 -20.558 1.407 -3.722 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -22.032 0.427 -1.753 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -20.761 -0.779 -1.779 1.00 0.00 H new ATOM 697 N LYS A 50 -20.681 1.791 -0.178 1.00 0.00 N ATOM 698 CA LYS A 50 -19.936 2.698 0.688 1.00 0.00 C ATOM 699 C LYS A 50 -18.548 2.142 0.992 1.00 0.00 C ATOM 700 O LYS A 50 -18.408 0.992 1.409 1.00 0.00 O ATOM 701 CB LYS A 50 -20.700 2.933 1.992 1.00 0.00 C ATOM 702 CG LYS A 50 -20.121 4.050 2.844 1.00 0.00 C ATOM 703 CD LYS A 50 -20.459 3.863 4.313 1.00 0.00 C ATOM 704 CE LYS A 50 -19.645 2.738 4.934 1.00 0.00 C ATOM 705 NZ LYS A 50 -18.303 3.204 5.379 1.00 0.00 N ATOM 0 H LYS A 50 -21.663 1.680 0.074 1.00 0.00 H new ATOM 0 HA LYS A 50 -19.821 3.648 0.165 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -21.738 3.167 1.758 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -20.704 2.010 2.572 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -19.039 4.080 2.720 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -20.508 5.009 2.500 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -20.269 4.791 4.852 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -21.522 3.645 4.418 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -20.187 2.325 5.785 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -19.528 1.932 4.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -17.970 2.606 6.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -17.633 3.141 4.586 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -18.367 4.191 5.700 1.00 0.00 H new ATOM 719 N ILE A 51 -17.527 2.966 0.782 1.00 0.00 N ATOM 720 CA ILE A 51 -16.152 2.557 1.037 1.00 0.00 C ATOM 721 C ILE A 51 -15.818 2.646 2.523 1.00 0.00 C ATOM 722 O ILE A 51 -16.266 3.558 3.218 1.00 0.00 O ATOM 723 CB ILE A 51 -15.152 3.420 0.245 1.00 0.00 C ATOM 724 CG1 ILE A 51 -15.386 3.261 -1.258 1.00 0.00 C ATOM 725 CG2 ILE A 51 -13.723 3.041 0.607 1.00 0.00 C ATOM 726 CD1 ILE A 51 -15.144 1.855 -1.762 1.00 0.00 C ATOM 0 H ILE A 51 -17.626 3.920 0.436 1.00 0.00 H new ATOM 0 HA ILE A 51 -16.065 1.521 0.709 1.00 0.00 H new ATOM 0 HB ILE A 51 -15.308 4.466 0.509 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -16.411 3.550 -1.491 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -14.731 3.948 -1.794 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -13.028 3.659 0.039 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -13.563 3.201 1.673 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -13.553 1.991 0.368 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -15.329 1.816 -2.836 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -14.112 1.569 -1.561 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -15.817 1.165 -1.253 1.00 0.00 H new ATOM 738 N THR A 52 -15.025 1.693 3.004 1.00 0.00 N ATOM 739 CA THR A 52 -14.630 1.663 4.406 1.00 0.00 C ATOM 740 C THR A 52 -13.123 1.833 4.556 1.00 0.00 C ATOM 741 O THR A 52 -12.651 2.487 5.486 1.00 0.00 O ATOM 742 CB THR A 52 -15.057 0.347 5.083 1.00 0.00 C ATOM 743 OG1 THR A 52 -14.293 -0.744 4.557 1.00 0.00 O ATOM 744 CG2 THR A 52 -16.540 0.084 4.868 1.00 0.00 C ATOM 0 H THR A 52 -14.644 0.932 2.442 1.00 0.00 H new ATOM 0 HA THR A 52 -15.137 2.495 4.895 1.00 0.00 H new ATOM 0 HB THR A 52 -14.872 0.438 6.153 1.00 0.00 H new ATOM 0 HG1 THR A 52 -14.213 -0.648 3.585 1.00 0.00 H new ATOM 0 HG21 THR A 52 -16.818 -0.851 5.355 1.00 0.00 H new ATOM 0 HG22 THR A 52 -17.120 0.902 5.295 1.00 0.00 H new ATOM 0 HG23 THR A 52 -16.746 0.012 3.800 1.00 0.00 H new ATOM 752 N GLY A 53 -12.370 1.241 3.634 1.00 0.00 N ATOM 753 CA GLY A 53 -10.923 1.340 3.682 1.00 0.00 C ATOM 754 C GLY A 53 -10.260 0.744 2.456 1.00 0.00 C ATOM 755 O GLY A 53 -10.912 0.524 1.435 1.00 0.00 O ATOM 0 H GLY A 53 -12.736 0.695 2.855 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -10.636 2.388 3.773 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -10.556 0.831 4.573 1.00 0.00 H new ATOM 759 N TYR A 54 -8.961 0.483 2.555 1.00 0.00 N ATOM 760 CA TYR A 54 -8.209 -0.087 1.444 1.00 0.00 C ATOM 761 C TYR A 54 -7.089 -0.990 1.951 1.00 0.00 C ATOM 762 O TYR A 54 -6.710 -0.930 3.121 1.00 0.00 O ATOM 763 CB TYR A 54 -7.626 1.026 0.572 1.00 0.00 C ATOM 764 CG TYR A 54 -8.660 2.012 0.077 1.00 0.00 C ATOM 765 CD1 TYR A 54 -9.332 2.846 0.962 1.00 0.00 C ATOM 766 CD2 TYR A 54 -8.964 2.110 -1.275 1.00 0.00 C ATOM 767 CE1 TYR A 54 -10.278 3.748 0.514 1.00 0.00 C ATOM 768 CE2 TYR A 54 -9.907 3.011 -1.732 1.00 0.00 C ATOM 769 CZ TYR A 54 -10.562 3.827 -0.833 1.00 0.00 C ATOM 770 OH TYR A 54 -11.503 4.725 -1.283 1.00 0.00 O ATOM 0 H TYR A 54 -8.407 0.657 3.394 1.00 0.00 H new ATOM 0 HA TYR A 54 -8.893 -0.688 0.845 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -6.868 1.563 1.142 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -7.123 0.579 -0.285 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -9.111 2.788 2.018 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -8.455 1.471 -1.981 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -10.792 4.388 1.215 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -10.130 3.076 -2.787 1.00 0.00 H new ATOM 0 HH TYR A 54 -12.201 4.247 -1.778 1.00 0.00 H new ATOM 780 N ILE A 55 -6.564 -1.826 1.062 1.00 0.00 N ATOM 781 CA ILE A 55 -5.487 -2.741 1.417 1.00 0.00 C ATOM 782 C ILE A 55 -4.350 -2.674 0.403 1.00 0.00 C ATOM 783 O ILE A 55 -4.562 -2.867 -0.795 1.00 0.00 O ATOM 784 CB ILE A 55 -5.990 -4.194 1.512 1.00 0.00 C ATOM 785 CG1 ILE A 55 -7.201 -4.278 2.443 1.00 0.00 C ATOM 786 CG2 ILE A 55 -4.876 -5.110 1.998 1.00 0.00 C ATOM 787 CD1 ILE A 55 -7.979 -5.568 2.308 1.00 0.00 C ATOM 0 H ILE A 55 -6.867 -1.888 0.090 1.00 0.00 H new ATOM 0 HA ILE A 55 -5.118 -2.428 2.394 1.00 0.00 H new ATOM 0 HB ILE A 55 -6.296 -4.522 0.519 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -6.864 -4.173 3.474 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -7.866 -3.439 2.238 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -5.247 -6.133 2.060 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -4.040 -5.069 1.299 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -4.542 -4.785 2.983 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -8.823 -5.558 2.998 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -8.346 -5.666 1.286 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -7.329 -6.411 2.542 1.00 0.00 H new ATOM 799 N ILE A 56 -3.145 -2.400 0.890 1.00 0.00 N ATOM 800 CA ILE A 56 -1.975 -2.309 0.026 1.00 0.00 C ATOM 801 C ILE A 56 -1.065 -3.520 0.204 1.00 0.00 C ATOM 802 O ILE A 56 -0.872 -4.006 1.319 1.00 0.00 O ATOM 803 CB ILE A 56 -1.166 -1.029 0.305 1.00 0.00 C ATOM 804 CG1 ILE A 56 -2.090 0.191 0.318 1.00 0.00 C ATOM 805 CG2 ILE A 56 -0.069 -0.858 -0.735 1.00 0.00 C ATOM 806 CD1 ILE A 56 -1.460 1.420 0.936 1.00 0.00 C ATOM 0 H ILE A 56 -2.953 -2.237 1.878 1.00 0.00 H new ATOM 0 HA ILE A 56 -2.343 -2.280 -1.000 1.00 0.00 H new ATOM 0 HB ILE A 56 -0.699 -1.119 1.286 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -2.389 0.421 -0.705 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -2.998 -0.057 0.867 1.00 0.00 H new ATOM 0 HG21 ILE A 56 0.494 0.051 -0.524 1.00 0.00 H new ATOM 0 HG22 ILE A 56 0.602 -1.716 -0.701 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -0.516 -0.786 -1.727 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -2.172 2.245 0.911 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -1.186 1.208 1.970 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -0.568 1.694 0.373 1.00 0.00 H new ATOM 818 N TYR A 57 -0.507 -4.002 -0.901 1.00 0.00 N ATOM 819 CA TYR A 57 0.382 -5.157 -0.867 1.00 0.00 C ATOM 820 C TYR A 57 1.725 -4.829 -1.513 1.00 0.00 C ATOM 821 O TYR A 57 1.781 -4.318 -2.632 1.00 0.00 O ATOM 822 CB TYR A 57 -0.263 -6.345 -1.582 1.00 0.00 C ATOM 823 CG TYR A 57 -1.693 -6.600 -1.162 1.00 0.00 C ATOM 824 CD1 TYR A 57 -2.734 -5.834 -1.671 1.00 0.00 C ATOM 825 CD2 TYR A 57 -2.003 -7.607 -0.256 1.00 0.00 C ATOM 826 CE1 TYR A 57 -4.042 -6.063 -1.290 1.00 0.00 C ATOM 827 CE2 TYR A 57 -3.308 -7.844 0.129 1.00 0.00 C ATOM 828 CZ TYR A 57 -4.324 -7.069 -0.390 1.00 0.00 C ATOM 829 OH TYR A 57 -5.625 -7.301 -0.007 1.00 0.00 O ATOM 0 H TYR A 57 -0.655 -3.611 -1.831 1.00 0.00 H new ATOM 0 HA TYR A 57 0.555 -5.420 0.177 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -0.235 -6.170 -2.658 1.00 0.00 H new ATOM 0 HB3 TYR A 57 0.329 -7.240 -1.389 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -2.517 -5.046 -2.377 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -1.210 -8.215 0.154 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -4.839 -5.457 -1.695 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -3.532 -8.632 0.833 1.00 0.00 H new ATOM 0 HH TYR A 57 -6.114 -6.452 0.021 1.00 0.00 H new ATOM 839 N TYR A 58 2.805 -5.127 -0.799 1.00 0.00 N ATOM 840 CA TYR A 58 4.149 -4.863 -1.300 1.00 0.00 C ATOM 841 C TYR A 58 5.097 -6.005 -0.946 1.00 0.00 C ATOM 842 O TYR A 58 4.910 -6.693 0.057 1.00 0.00 O ATOM 843 CB TYR A 58 4.681 -3.548 -0.727 1.00 0.00 C ATOM 844 CG TYR A 58 5.093 -3.644 0.725 1.00 0.00 C ATOM 845 CD1 TYR A 58 6.243 -4.329 1.097 1.00 0.00 C ATOM 846 CD2 TYR A 58 4.333 -3.048 1.724 1.00 0.00 C ATOM 847 CE1 TYR A 58 6.623 -4.419 2.422 1.00 0.00 C ATOM 848 CE2 TYR A 58 4.706 -3.131 3.051 1.00 0.00 C ATOM 849 CZ TYR A 58 5.851 -3.819 3.395 1.00 0.00 C ATOM 850 OH TYR A 58 6.227 -3.905 4.716 1.00 0.00 O ATOM 0 H TYR A 58 2.776 -5.551 0.128 1.00 0.00 H new ATOM 0 HA TYR A 58 4.095 -4.783 -2.386 1.00 0.00 H new ATOM 0 HB2 TYR A 58 5.537 -3.223 -1.318 1.00 0.00 H new ATOM 0 HB3 TYR A 58 3.914 -2.780 -0.829 1.00 0.00 H new ATOM 0 HD1 TYR A 58 6.850 -4.799 0.337 1.00 0.00 H new ATOM 0 HD2 TYR A 58 3.435 -2.510 1.458 1.00 0.00 H new ATOM 0 HE1 TYR A 58 7.519 -4.956 2.695 1.00 0.00 H new ATOM 0 HE2 TYR A 58 4.105 -2.660 3.815 1.00 0.00 H new ATOM 0 HH TYR A 58 5.577 -3.428 5.273 1.00 0.00 H new ATOM 860 N SER A 59 6.114 -6.201 -1.779 1.00 0.00 N ATOM 861 CA SER A 59 7.091 -7.261 -1.557 1.00 0.00 C ATOM 862 C SER A 59 8.243 -7.154 -2.550 1.00 0.00 C ATOM 863 O SER A 59 8.101 -6.570 -3.625 1.00 0.00 O ATOM 864 CB SER A 59 6.422 -8.632 -1.678 1.00 0.00 C ATOM 865 OG SER A 59 7.065 -9.587 -0.853 1.00 0.00 O ATOM 0 H SER A 59 6.283 -5.640 -2.614 1.00 0.00 H new ATOM 0 HA SER A 59 7.492 -7.148 -0.550 1.00 0.00 H new ATOM 0 HB2 SER A 59 5.371 -8.554 -1.398 1.00 0.00 H new ATOM 0 HB3 SER A 59 6.452 -8.964 -2.716 1.00 0.00 H new ATOM 0 HG SER A 59 6.618 -10.454 -0.947 1.00 0.00 H new ATOM 871 N THR A 60 9.387 -7.724 -2.183 1.00 0.00 N ATOM 872 CA THR A 60 10.566 -7.693 -3.040 1.00 0.00 C ATOM 873 C THR A 60 10.535 -8.827 -4.059 1.00 0.00 C ATOM 874 O THR A 60 11.526 -9.533 -4.245 1.00 0.00 O ATOM 875 CB THR A 60 11.863 -7.794 -2.215 1.00 0.00 C ATOM 876 OG1 THR A 60 11.886 -9.027 -1.488 1.00 0.00 O ATOM 877 CG2 THR A 60 11.981 -6.627 -1.247 1.00 0.00 C ATOM 0 H THR A 60 9.522 -8.213 -1.298 1.00 0.00 H new ATOM 0 HA THR A 60 10.551 -6.737 -3.564 1.00 0.00 H new ATOM 0 HB THR A 60 12.708 -7.762 -2.903 1.00 0.00 H new ATOM 0 HG1 THR A 60 12.714 -9.084 -0.967 1.00 0.00 H new ATOM 0 HG21 THR A 60 12.905 -6.720 -0.676 1.00 0.00 H new ATOM 0 HG22 THR A 60 11.993 -5.691 -1.805 1.00 0.00 H new ATOM 0 HG23 THR A 60 11.131 -6.632 -0.565 1.00 0.00 H new ATOM 885 N ASP A 61 9.393 -8.995 -4.715 1.00 0.00 N ATOM 886 CA ASP A 61 9.234 -10.042 -5.717 1.00 0.00 C ATOM 887 C ASP A 61 7.907 -9.891 -6.455 1.00 0.00 C ATOM 888 O ASP A 61 6.837 -9.964 -5.851 1.00 0.00 O ATOM 889 CB ASP A 61 9.313 -11.421 -5.061 1.00 0.00 C ATOM 890 CG ASP A 61 10.729 -11.959 -5.012 1.00 0.00 C ATOM 891 OD1 ASP A 61 11.493 -11.705 -5.967 1.00 0.00 O ATOM 892 OD2 ASP A 61 11.074 -12.635 -4.020 1.00 0.00 O ATOM 0 H ASP A 61 8.563 -8.420 -4.571 1.00 0.00 H new ATOM 0 HA ASP A 61 10.044 -9.945 -6.440 1.00 0.00 H new ATOM 0 HB2 ASP A 61 8.915 -11.361 -4.048 1.00 0.00 H new ATOM 0 HB3 ASP A 61 8.681 -12.118 -5.611 1.00 0.00 H new ATOM 897 N VAL A 62 7.985 -9.680 -7.765 1.00 0.00 N ATOM 898 CA VAL A 62 6.791 -9.519 -8.586 1.00 0.00 C ATOM 899 C VAL A 62 6.168 -10.869 -8.921 1.00 0.00 C ATOM 900 O VAL A 62 4.960 -10.972 -9.130 1.00 0.00 O ATOM 901 CB VAL A 62 7.107 -8.772 -9.896 1.00 0.00 C ATOM 902 CG1 VAL A 62 7.936 -9.648 -10.823 1.00 0.00 C ATOM 903 CG2 VAL A 62 5.822 -8.326 -10.577 1.00 0.00 C ATOM 0 H VAL A 62 8.863 -9.617 -8.281 1.00 0.00 H new ATOM 0 HA VAL A 62 6.083 -8.930 -8.003 1.00 0.00 H new ATOM 0 HB VAL A 62 7.691 -7.884 -9.657 1.00 0.00 H new ATOM 0 HG11 VAL A 62 8.150 -9.104 -11.743 1.00 0.00 H new ATOM 0 HG12 VAL A 62 8.873 -9.913 -10.332 1.00 0.00 H new ATOM 0 HG13 VAL A 62 7.381 -10.556 -11.059 1.00 0.00 H new ATOM 0 HG21 VAL A 62 6.063 -7.800 -11.501 1.00 0.00 H new ATOM 0 HG22 VAL A 62 5.210 -9.198 -10.806 1.00 0.00 H new ATOM 0 HG23 VAL A 62 5.271 -7.660 -9.913 1.00 0.00 H new ATOM 913 N ASN A 63 7.002 -11.903 -8.970 1.00 0.00 N ATOM 914 CA ASN A 63 6.533 -13.249 -9.280 1.00 0.00 C ATOM 915 C ASN A 63 6.335 -14.063 -8.005 1.00 0.00 C ATOM 916 O ASN A 63 6.438 -15.290 -8.017 1.00 0.00 O ATOM 917 CB ASN A 63 7.526 -13.958 -10.202 1.00 0.00 C ATOM 918 CG ASN A 63 7.443 -13.461 -11.633 1.00 0.00 C ATOM 919 OD1 ASN A 63 6.468 -13.724 -12.337 1.00 0.00 O ATOM 920 ND2 ASN A 63 8.469 -12.739 -12.068 1.00 0.00 N ATOM 0 H ASN A 63 8.005 -11.835 -8.799 1.00 0.00 H new ATOM 0 HA ASN A 63 5.573 -13.164 -9.789 1.00 0.00 H new ATOM 0 HB2 ASN A 63 8.538 -13.807 -9.826 1.00 0.00 H new ATOM 0 HB3 ASN A 63 7.335 -15.031 -10.181 1.00 0.00 H new ATOM 0 HD21 ASN A 63 8.470 -12.377 -13.022 1.00 0.00 H new ATOM 0 HD22 ASN A 63 9.256 -12.546 -11.448 1.00 0.00 H new ATOM 927 N ALA A 64 6.051 -13.372 -6.906 1.00 0.00 N ATOM 928 CA ALA A 64 5.836 -14.031 -5.623 1.00 0.00 C ATOM 929 C ALA A 64 4.351 -14.260 -5.366 1.00 0.00 C ATOM 930 O ALA A 64 3.521 -13.399 -5.658 1.00 0.00 O ATOM 931 CB ALA A 64 6.448 -13.208 -4.499 1.00 0.00 C ATOM 0 H ALA A 64 5.964 -12.356 -6.878 1.00 0.00 H new ATOM 0 HA ALA A 64 6.326 -15.004 -5.655 1.00 0.00 H new ATOM 0 HB1 ALA A 64 6.280 -13.711 -3.547 1.00 0.00 H new ATOM 0 HB2 ALA A 64 7.519 -13.100 -4.669 1.00 0.00 H new ATOM 0 HB3 ALA A 64 5.983 -12.222 -4.475 1.00 0.00 H new ATOM 937 N GLU A 65 4.023 -15.426 -4.817 1.00 0.00 N ATOM 938 CA GLU A 65 2.636 -15.768 -4.523 1.00 0.00 C ATOM 939 C GLU A 65 1.947 -14.638 -3.763 1.00 0.00 C ATOM 940 O GLU A 65 2.507 -14.079 -2.819 1.00 0.00 O ATOM 941 CB GLU A 65 2.569 -17.061 -3.707 1.00 0.00 C ATOM 942 CG GLU A 65 2.472 -18.314 -4.561 1.00 0.00 C ATOM 943 CD GLU A 65 1.039 -18.705 -4.862 1.00 0.00 C ATOM 944 OE1 GLU A 65 0.232 -17.805 -5.175 1.00 0.00 O ATOM 945 OE2 GLU A 65 0.723 -19.911 -4.785 1.00 0.00 O ATOM 0 H GLU A 65 4.698 -16.149 -4.567 1.00 0.00 H new ATOM 0 HA GLU A 65 2.116 -15.916 -5.469 1.00 0.00 H new ATOM 0 HB2 GLU A 65 3.455 -17.129 -3.076 1.00 0.00 H new ATOM 0 HB3 GLU A 65 1.707 -17.017 -3.042 1.00 0.00 H new ATOM 0 HG2 GLU A 65 3.005 -18.153 -5.498 1.00 0.00 H new ATOM 0 HG3 GLU A 65 2.969 -19.138 -4.049 1.00 0.00 H new ATOM 952 N ILE A 66 0.731 -14.307 -4.182 1.00 0.00 N ATOM 953 CA ILE A 66 -0.035 -13.245 -3.541 1.00 0.00 C ATOM 954 C ILE A 66 0.099 -13.309 -2.023 1.00 0.00 C ATOM 955 O ILE A 66 0.187 -12.280 -1.353 1.00 0.00 O ATOM 956 CB ILE A 66 -1.527 -13.321 -3.917 1.00 0.00 C ATOM 957 CG1 ILE A 66 -2.276 -12.106 -3.366 1.00 0.00 C ATOM 958 CG2 ILE A 66 -2.140 -14.611 -3.394 1.00 0.00 C ATOM 959 CD1 ILE A 66 -1.868 -10.800 -4.011 1.00 0.00 C ATOM 0 H ILE A 66 0.255 -14.759 -4.963 1.00 0.00 H new ATOM 0 HA ILE A 66 0.374 -12.301 -3.900 1.00 0.00 H new ATOM 0 HB ILE A 66 -1.614 -13.316 -5.004 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -3.346 -12.254 -3.509 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -2.104 -12.040 -2.292 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -3.194 -14.650 -3.668 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -1.620 -15.464 -3.830 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -2.045 -14.645 -2.309 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -2.440 -9.983 -3.571 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -0.804 -10.629 -3.845 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -2.066 -10.846 -5.082 1.00 0.00 H new ATOM 971 N HIS A 67 0.116 -14.526 -1.487 1.00 0.00 N ATOM 972 CA HIS A 67 0.243 -14.725 -0.048 1.00 0.00 C ATOM 973 C HIS A 67 1.568 -14.170 0.463 1.00 0.00 C ATOM 974 O HIS A 67 1.633 -13.590 1.547 1.00 0.00 O ATOM 975 CB HIS A 67 0.133 -16.211 0.294 1.00 0.00 C ATOM 976 CG HIS A 67 1.423 -16.958 0.143 1.00 0.00 C ATOM 977 ND1 HIS A 67 2.586 -16.862 0.828 1.00 0.00 N flip ATOM 978 CD2 HIS A 67 1.619 -17.936 -0.809 1.00 0.00 C flip ATOM 979 CE1 HIS A 67 3.455 -17.777 0.285 1.00 0.00 C flip ATOM 980 NE2 HIS A 67 2.847 -18.412 -0.701 1.00 0.00 N flip ATOM 0 H HIS A 67 0.043 -15.388 -2.027 1.00 0.00 H new ATOM 0 HA HIS A 67 -0.568 -14.186 0.441 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -0.219 -16.314 1.320 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -0.619 -16.668 -0.348 1.00 0.00 H new ATOM 0 HD2 HIS A 67 0.884 -18.262 -1.530 1.00 0.00 H new ATOM 0 HE1 HIS A 67 4.470 -17.949 0.611 1.00 0.00 H new ATOM 0 HE2 HIS A 67 3.256 -19.145 -1.280 1.00 0.00 H new ATOM 989 N ASP A 68 2.623 -14.352 -0.323 1.00 0.00 N ATOM 990 CA ASP A 68 3.948 -13.870 0.050 1.00 0.00 C ATOM 991 C ASP A 68 3.928 -12.364 0.296 1.00 0.00 C ATOM 992 O ASP A 68 4.659 -11.855 1.145 1.00 0.00 O ATOM 993 CB ASP A 68 4.963 -14.207 -1.043 1.00 0.00 C ATOM 994 CG ASP A 68 6.381 -13.843 -0.649 1.00 0.00 C ATOM 995 OD1 ASP A 68 6.852 -14.337 0.397 1.00 0.00 O ATOM 996 OD2 ASP A 68 7.020 -13.064 -1.386 1.00 0.00 O ATOM 0 H ASP A 68 2.587 -14.830 -1.223 1.00 0.00 H new ATOM 0 HA ASP A 68 4.242 -14.368 0.974 1.00 0.00 H new ATOM 0 HB2 ASP A 68 4.913 -15.273 -1.265 1.00 0.00 H new ATOM 0 HB3 ASP A 68 4.696 -13.678 -1.958 1.00 0.00 H new ATOM 1001 N TRP A 69 3.088 -11.659 -0.453 1.00 0.00 N ATOM 1002 CA TRP A 69 2.974 -10.211 -0.316 1.00 0.00 C ATOM 1003 C TRP A 69 2.390 -9.837 1.041 1.00 0.00 C ATOM 1004 O TRP A 69 1.454 -10.475 1.523 1.00 0.00 O ATOM 1005 CB TRP A 69 2.102 -9.640 -1.436 1.00 0.00 C ATOM 1006 CG TRP A 69 2.721 -9.768 -2.795 1.00 0.00 C ATOM 1007 CD1 TRP A 69 3.138 -10.918 -3.400 1.00 0.00 C ATOM 1008 CD2 TRP A 69 2.994 -8.706 -3.715 1.00 0.00 C ATOM 1009 NE1 TRP A 69 3.654 -10.636 -4.642 1.00 0.00 N ATOM 1010 CE2 TRP A 69 3.576 -9.285 -4.859 1.00 0.00 C ATOM 1011 CE3 TRP A 69 2.802 -7.322 -3.685 1.00 0.00 C ATOM 1012 CZ2 TRP A 69 3.968 -8.528 -5.960 1.00 0.00 C ATOM 1013 CZ3 TRP A 69 3.191 -6.571 -4.778 1.00 0.00 C ATOM 1014 CH2 TRP A 69 3.768 -7.175 -5.903 1.00 0.00 C ATOM 0 H TRP A 69 2.476 -12.066 -1.161 1.00 0.00 H new ATOM 0 HA TRP A 69 3.974 -9.784 -0.390 1.00 0.00 H new ATOM 0 HB2 TRP A 69 1.139 -10.151 -1.434 1.00 0.00 H new ATOM 0 HB3 TRP A 69 1.905 -8.588 -1.232 1.00 0.00 H new ATOM 0 HD1 TRP A 69 3.072 -11.905 -2.966 1.00 0.00 H new ATOM 0 HE1 TRP A 69 4.033 -11.321 -5.296 1.00 0.00 H new ATOM 0 HE3 TRP A 69 2.357 -6.848 -2.823 1.00 0.00 H new ATOM 0 HZ2 TRP A 69 4.414 -8.992 -6.828 1.00 0.00 H new ATOM 0 HZ3 TRP A 69 3.048 -5.501 -4.765 1.00 0.00 H new ATOM 0 HH2 TRP A 69 4.061 -6.561 -6.742 1.00 0.00 H new ATOM 1025 N VAL A 70 2.948 -8.797 1.655 1.00 0.00 N ATOM 1026 CA VAL A 70 2.481 -8.337 2.957 1.00 0.00 C ATOM 1027 C VAL A 70 1.144 -7.613 2.837 1.00 0.00 C ATOM 1028 O VAL A 70 0.837 -7.025 1.800 1.00 0.00 O ATOM 1029 CB VAL A 70 3.504 -7.396 3.620 1.00 0.00 C ATOM 1030 CG1 VAL A 70 3.599 -6.086 2.853 1.00 0.00 C ATOM 1031 CG2 VAL A 70 3.134 -7.147 5.074 1.00 0.00 C ATOM 0 H VAL A 70 3.724 -8.258 1.271 1.00 0.00 H new ATOM 0 HA VAL A 70 2.357 -9.223 3.580 1.00 0.00 H new ATOM 0 HB VAL A 70 4.483 -7.875 3.595 1.00 0.00 H new ATOM 0 HG11 VAL A 70 4.327 -5.434 3.336 1.00 0.00 H new ATOM 0 HG12 VAL A 70 3.914 -6.286 1.829 1.00 0.00 H new ATOM 0 HG13 VAL A 70 2.624 -5.598 2.844 1.00 0.00 H new ATOM 0 HG21 VAL A 70 3.868 -6.480 5.527 1.00 0.00 H new ATOM 0 HG22 VAL A 70 2.146 -6.688 5.125 1.00 0.00 H new ATOM 0 HG23 VAL A 70 3.122 -8.094 5.614 1.00 0.00 H new ATOM 1041 N ILE A 71 0.354 -7.661 3.904 1.00 0.00 N ATOM 1042 CA ILE A 71 -0.949 -7.008 3.919 1.00 0.00 C ATOM 1043 C ILE A 71 -0.904 -5.708 4.715 1.00 0.00 C ATOM 1044 O ILE A 71 -0.742 -5.722 5.935 1.00 0.00 O ATOM 1045 CB ILE A 71 -2.031 -7.926 4.517 1.00 0.00 C ATOM 1046 CG1 ILE A 71 -2.178 -9.195 3.675 1.00 0.00 C ATOM 1047 CG2 ILE A 71 -3.359 -7.189 4.609 1.00 0.00 C ATOM 1048 CD1 ILE A 71 -3.006 -10.271 4.341 1.00 0.00 C ATOM 0 H ILE A 71 0.593 -8.145 4.769 1.00 0.00 H new ATOM 0 HA ILE A 71 -1.203 -6.787 2.882 1.00 0.00 H new ATOM 0 HB ILE A 71 -1.726 -8.214 5.523 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -2.634 -8.936 2.720 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -1.187 -9.593 3.457 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -4.114 -7.851 5.034 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -3.245 -6.312 5.247 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -3.671 -6.875 3.613 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -3.067 -11.140 3.686 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -2.539 -10.558 5.283 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -4.009 -9.891 4.534 1.00 0.00 H new ATOM 1060 N GLU A 72 -1.049 -4.587 4.016 1.00 0.00 N ATOM 1061 CA GLU A 72 -1.026 -3.279 4.659 1.00 0.00 C ATOM 1062 C GLU A 72 -2.415 -2.647 4.659 1.00 0.00 C ATOM 1063 O GLU A 72 -2.757 -1.839 3.795 1.00 0.00 O ATOM 1064 CB GLU A 72 -0.033 -2.355 3.950 1.00 0.00 C ATOM 1065 CG GLU A 72 1.382 -2.449 4.494 1.00 0.00 C ATOM 1066 CD GLU A 72 1.788 -3.873 4.821 1.00 0.00 C ATOM 1067 OE1 GLU A 72 1.412 -4.788 4.058 1.00 0.00 O ATOM 1068 OE2 GLU A 72 2.481 -4.073 5.840 1.00 0.00 O ATOM 0 H GLU A 72 -1.184 -4.558 3.005 1.00 0.00 H new ATOM 0 HA GLU A 72 -0.709 -3.417 5.693 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -0.021 -2.596 2.887 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -0.380 -1.326 4.040 1.00 0.00 H new ATOM 0 HG2 GLU A 72 2.077 -2.036 3.763 1.00 0.00 H new ATOM 0 HG3 GLU A 72 1.463 -1.837 5.392 1.00 0.00 H new ATOM 1075 N PRO A 73 -3.236 -3.025 5.649 1.00 0.00 N ATOM 1076 CA PRO A 73 -4.602 -2.509 5.786 1.00 0.00 C ATOM 1077 C PRO A 73 -4.628 -1.039 6.193 1.00 0.00 C ATOM 1078 O PRO A 73 -4.085 -0.662 7.232 1.00 0.00 O ATOM 1079 CB PRO A 73 -5.201 -3.380 6.892 1.00 0.00 C ATOM 1080 CG PRO A 73 -4.030 -3.840 7.690 1.00 0.00 C ATOM 1081 CD PRO A 73 -2.896 -3.985 6.713 1.00 0.00 C ATOM 0 HA PRO A 73 -5.151 -2.554 4.845 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -5.901 -2.813 7.507 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -5.752 -4.223 6.476 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -3.783 -3.121 8.471 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -4.243 -4.788 8.185 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -1.936 -3.751 7.174 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -2.825 -5.002 6.328 1.00 0.00 H new ATOM 1089 N VAL A 74 -5.262 -0.213 5.367 1.00 0.00 N ATOM 1090 CA VAL A 74 -5.360 1.216 5.642 1.00 0.00 C ATOM 1091 C VAL A 74 -6.652 1.546 6.381 1.00 0.00 C ATOM 1092 O VAL A 74 -7.732 1.558 5.790 1.00 0.00 O ATOM 1093 CB VAL A 74 -5.299 2.043 4.344 1.00 0.00 C ATOM 1094 CG1 VAL A 74 -5.486 3.522 4.643 1.00 0.00 C ATOM 1095 CG2 VAL A 74 -3.983 1.799 3.619 1.00 0.00 C ATOM 0 H VAL A 74 -5.715 -0.508 4.502 1.00 0.00 H new ATOM 0 HA VAL A 74 -4.508 1.476 6.270 1.00 0.00 H new ATOM 0 HB VAL A 74 -6.112 1.724 3.692 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -5.440 4.090 3.714 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -6.456 3.678 5.116 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -4.697 3.860 5.314 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -3.956 2.391 2.704 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -3.153 2.090 4.263 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -3.896 0.742 3.370 1.00 0.00 H new ATOM 1105 N VAL A 75 -6.534 1.814 7.678 1.00 0.00 N ATOM 1106 CA VAL A 75 -7.692 2.146 8.498 1.00 0.00 C ATOM 1107 C VAL A 75 -8.395 3.395 7.977 1.00 0.00 C ATOM 1108 O VAL A 75 -7.808 4.191 7.246 1.00 0.00 O ATOM 1109 CB VAL A 75 -7.292 2.372 9.969 1.00 0.00 C ATOM 1110 CG1 VAL A 75 -6.708 1.101 10.565 1.00 0.00 C ATOM 1111 CG2 VAL A 75 -6.306 3.525 10.081 1.00 0.00 C ATOM 0 H VAL A 75 -5.648 1.807 8.183 1.00 0.00 H new ATOM 0 HA VAL A 75 -8.374 1.298 8.440 1.00 0.00 H new ATOM 0 HB VAL A 75 -8.187 2.632 10.535 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -6.431 1.280 11.604 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -7.450 0.303 10.519 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -5.824 0.807 10.000 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -6.034 3.671 11.126 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -5.411 3.296 9.502 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -6.765 4.435 9.695 1.00 0.00 H new ATOM 1121 N GLY A 76 -9.658 3.559 8.359 1.00 0.00 N ATOM 1122 CA GLY A 76 -10.421 4.713 7.921 1.00 0.00 C ATOM 1123 C GLY A 76 -10.445 4.854 6.412 1.00 0.00 C ATOM 1124 O GLY A 76 -9.748 4.129 5.703 1.00 0.00 O ATOM 0 H GLY A 76 -10.166 2.914 8.964 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -11.443 4.631 8.291 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -9.994 5.615 8.360 1.00 0.00 H new ATOM 1128 N ASN A 77 -11.250 5.789 5.919 1.00 0.00 N ATOM 1129 CA ASN A 77 -11.363 6.021 4.483 1.00 0.00 C ATOM 1130 C ASN A 77 -10.187 6.848 3.972 1.00 0.00 C ATOM 1131 O ASN A 77 -10.358 7.988 3.539 1.00 0.00 O ATOM 1132 CB ASN A 77 -12.679 6.733 4.163 1.00 0.00 C ATOM 1133 CG ASN A 77 -12.950 7.896 5.098 1.00 0.00 C ATOM 1134 OD1 ASN A 77 -13.895 7.711 6.013 1.00 0.00 O flip ATOM 1135 ND2 ASN A 77 -12.317 8.947 4.999 1.00 0.00 N flip ATOM 0 H ASN A 77 -11.834 6.398 6.492 1.00 0.00 H new ATOM 0 HA ASN A 77 -11.349 5.054 3.981 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -12.652 7.095 3.135 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -13.500 6.019 4.228 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -11.600 9.045 4.281 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -12.510 9.720 5.635 1.00 0.00 H new ATOM 1142 N ARG A 78 -8.994 6.265 4.024 1.00 0.00 N ATOM 1143 CA ARG A 78 -7.790 6.947 3.566 1.00 0.00 C ATOM 1144 C ARG A 78 -7.416 6.503 2.155 1.00 0.00 C ATOM 1145 O ARG A 78 -7.587 5.338 1.793 1.00 0.00 O ATOM 1146 CB ARG A 78 -6.628 6.673 4.523 1.00 0.00 C ATOM 1147 CG ARG A 78 -5.635 7.820 4.620 1.00 0.00 C ATOM 1148 CD ARG A 78 -6.002 8.781 5.739 1.00 0.00 C ATOM 1149 NE ARG A 78 -5.497 10.129 5.490 1.00 0.00 N ATOM 1150 CZ ARG A 78 -5.726 11.160 6.296 1.00 0.00 C ATOM 1151 NH1 ARG A 78 -6.448 10.998 7.397 1.00 0.00 N ATOM 1152 NH2 ARG A 78 -5.233 12.356 6.002 1.00 0.00 N ATOM 0 H ARG A 78 -8.836 5.322 4.379 1.00 0.00 H new ATOM 0 HA ARG A 78 -7.994 8.018 3.549 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -7.027 6.465 5.516 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -6.103 5.776 4.196 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -4.635 7.423 4.793 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -5.605 8.358 3.672 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -7.086 8.814 5.847 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -5.599 8.411 6.682 1.00 0.00 H new ATOM 0 HE ARG A 78 -4.938 10.287 4.652 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -6.829 10.080 7.627 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -6.622 11.791 8.014 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -4.677 12.485 5.156 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -5.410 13.147 6.622 1.00 0.00 H new ATOM 1166 N LEU A 79 -6.906 7.439 1.362 1.00 0.00 N ATOM 1167 CA LEU A 79 -6.508 7.145 -0.011 1.00 0.00 C ATOM 1168 C LEU A 79 -4.990 7.178 -0.157 1.00 0.00 C ATOM 1169 O LEU A 79 -4.456 6.974 -1.248 1.00 0.00 O ATOM 1170 CB LEU A 79 -7.147 8.147 -0.974 1.00 0.00 C ATOM 1171 CG LEU A 79 -8.673 8.244 -0.926 1.00 0.00 C ATOM 1172 CD1 LEU A 79 -9.173 9.278 -1.924 1.00 0.00 C ATOM 1173 CD2 LEU A 79 -9.302 6.887 -1.202 1.00 0.00 C ATOM 0 H LEU A 79 -6.758 8.408 1.646 1.00 0.00 H new ATOM 0 HA LEU A 79 -6.856 6.142 -0.257 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -6.733 9.134 -0.767 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -6.851 7.884 -1.990 1.00 0.00 H new ATOM 0 HG LEU A 79 -8.967 8.562 0.074 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -10.261 9.334 -1.876 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -8.749 10.252 -1.682 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -8.868 8.990 -2.930 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -10.388 6.975 -1.164 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -9.000 6.540 -2.190 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -8.969 6.172 -0.450 1.00 0.00 H new ATOM 1185 N THR A 80 -4.300 7.436 0.949 1.00 0.00 N ATOM 1186 CA THR A 80 -2.844 7.495 0.945 1.00 0.00 C ATOM 1187 C THR A 80 -2.256 6.670 2.084 1.00 0.00 C ATOM 1188 O THR A 80 -2.853 6.560 3.156 1.00 0.00 O ATOM 1189 CB THR A 80 -2.340 8.946 1.064 1.00 0.00 C ATOM 1190 OG1 THR A 80 -0.935 8.956 1.336 1.00 0.00 O ATOM 1191 CG2 THR A 80 -3.081 9.687 2.167 1.00 0.00 C ATOM 0 H THR A 80 -4.726 7.608 1.860 1.00 0.00 H new ATOM 0 HA THR A 80 -2.514 7.080 -0.008 1.00 0.00 H new ATOM 0 HB THR A 80 -2.529 9.452 0.117 1.00 0.00 H new ATOM 0 HG1 THR A 80 -0.622 9.882 1.408 1.00 0.00 H new ATOM 0 HG21 THR A 80 -2.708 10.709 2.233 1.00 0.00 H new ATOM 0 HG22 THR A 80 -4.147 9.703 1.942 1.00 0.00 H new ATOM 0 HG23 THR A 80 -2.919 9.180 3.118 1.00 0.00 H new ATOM 1199 N HIS A 81 -1.083 6.093 1.847 1.00 0.00 N ATOM 1200 CA HIS A 81 -0.414 5.279 2.855 1.00 0.00 C ATOM 1201 C HIS A 81 1.058 5.663 2.975 1.00 0.00 C ATOM 1202 O HIS A 81 1.661 6.149 2.019 1.00 0.00 O ATOM 1203 CB HIS A 81 -0.539 3.795 2.508 1.00 0.00 C ATOM 1204 CG HIS A 81 -0.375 2.888 3.689 1.00 0.00 C ATOM 1205 ND1 HIS A 81 -1.100 3.029 4.853 1.00 0.00 N ATOM 1206 CD2 HIS A 81 0.437 1.821 3.879 1.00 0.00 C ATOM 1207 CE1 HIS A 81 -0.740 2.090 5.710 1.00 0.00 C ATOM 1208 NE2 HIS A 81 0.191 1.343 5.143 1.00 0.00 N ATOM 0 H HIS A 81 -0.576 6.174 0.966 1.00 0.00 H new ATOM 0 HA HIS A 81 -0.898 5.462 3.814 1.00 0.00 H new ATOM 0 HB2 HIS A 81 -1.515 3.617 2.056 1.00 0.00 H new ATOM 0 HB3 HIS A 81 0.210 3.541 1.758 1.00 0.00 H new ATOM 0 HD2 HIS A 81 1.146 1.421 3.169 1.00 0.00 H new ATOM 0 HE1 HIS A 81 -1.139 1.956 6.705 1.00 0.00 H new ATOM 0 HE2 HIS A 81 0.652 0.542 5.574 1.00 0.00 H new ATOM 1217 N GLN A 82 1.628 5.441 4.155 1.00 0.00 N ATOM 1218 CA GLN A 82 3.029 5.766 4.399 1.00 0.00 C ATOM 1219 C GLN A 82 3.798 4.537 4.871 1.00 0.00 C ATOM 1220 O GLN A 82 3.395 3.868 5.822 1.00 0.00 O ATOM 1221 CB GLN A 82 3.142 6.883 5.438 1.00 0.00 C ATOM 1222 CG GLN A 82 3.076 8.279 4.840 1.00 0.00 C ATOM 1223 CD GLN A 82 2.493 9.298 5.799 1.00 0.00 C ATOM 1224 OE1 GLN A 82 2.616 9.163 7.017 1.00 0.00 O ATOM 1225 NE2 GLN A 82 1.853 10.326 5.254 1.00 0.00 N ATOM 0 H GLN A 82 1.142 5.038 4.956 1.00 0.00 H new ATOM 0 HA GLN A 82 3.466 6.107 3.460 1.00 0.00 H new ATOM 0 HB2 GLN A 82 2.340 6.771 6.168 1.00 0.00 H new ATOM 0 HB3 GLN A 82 4.082 6.772 5.978 1.00 0.00 H new ATOM 0 HG2 GLN A 82 4.078 8.593 4.548 1.00 0.00 H new ATOM 0 HG3 GLN A 82 2.473 8.253 3.932 1.00 0.00 H new ATOM 0 HE21 GLN A 82 1.775 10.398 4.240 1.00 0.00 H new ATOM 0 HE22 GLN A 82 1.440 11.043 5.850 1.00 0.00 H new ATOM 1234 N ILE A 83 4.907 4.246 4.199 1.00 0.00 N ATOM 1235 CA ILE A 83 5.733 3.097 4.551 1.00 0.00 C ATOM 1236 C ILE A 83 7.185 3.510 4.766 1.00 0.00 C ATOM 1237 O ILE A 83 7.843 4.003 3.850 1.00 0.00 O ATOM 1238 CB ILE A 83 5.677 2.009 3.462 1.00 0.00 C ATOM 1239 CG1 ILE A 83 4.225 1.708 3.086 1.00 0.00 C ATOM 1240 CG2 ILE A 83 6.379 0.746 3.939 1.00 0.00 C ATOM 1241 CD1 ILE A 83 4.087 0.745 1.928 1.00 0.00 C ATOM 0 H ILE A 83 5.254 4.789 3.409 1.00 0.00 H new ATOM 0 HA ILE A 83 5.331 2.692 5.480 1.00 0.00 H new ATOM 0 HB ILE A 83 6.194 2.376 2.575 1.00 0.00 H new ATOM 0 HG12 ILE A 83 3.712 1.295 3.954 1.00 0.00 H new ATOM 0 HG13 ILE A 83 3.723 2.642 2.833 1.00 0.00 H new ATOM 0 HG21 ILE A 83 6.331 -0.014 3.159 1.00 0.00 H new ATOM 0 HG22 ILE A 83 7.422 0.972 4.162 1.00 0.00 H new ATOM 0 HG23 ILE A 83 5.888 0.374 4.838 1.00 0.00 H new ATOM 0 HD11 ILE A 83 3.031 0.578 1.717 1.00 0.00 H new ATOM 0 HD12 ILE A 83 4.571 1.165 1.046 1.00 0.00 H new ATOM 0 HD13 ILE A 83 4.560 -0.203 2.185 1.00 0.00 H new ATOM 1253 N GLN A 84 7.679 3.302 5.982 1.00 0.00 N ATOM 1254 CA GLN A 84 9.055 3.652 6.318 1.00 0.00 C ATOM 1255 C GLN A 84 9.900 2.399 6.524 1.00 0.00 C ATOM 1256 O GLN A 84 9.436 1.282 6.299 1.00 0.00 O ATOM 1257 CB GLN A 84 9.090 4.519 7.577 1.00 0.00 C ATOM 1258 CG GLN A 84 8.022 4.156 8.596 1.00 0.00 C ATOM 1259 CD GLN A 84 8.460 4.424 10.022 1.00 0.00 C ATOM 1260 OE1 GLN A 84 9.336 5.254 10.269 1.00 0.00 O ATOM 1261 NE2 GLN A 84 7.851 3.723 10.971 1.00 0.00 N ATOM 0 H GLN A 84 7.148 2.893 6.751 1.00 0.00 H new ATOM 0 HA GLN A 84 9.474 4.217 5.485 1.00 0.00 H new ATOM 0 HB2 GLN A 84 10.071 4.428 8.043 1.00 0.00 H new ATOM 0 HB3 GLN A 84 8.968 5.564 7.292 1.00 0.00 H new ATOM 0 HG2 GLN A 84 7.116 4.725 8.385 1.00 0.00 H new ATOM 0 HG3 GLN A 84 7.768 3.101 8.490 1.00 0.00 H new ATOM 0 HE21 GLN A 84 7.130 3.045 10.722 1.00 0.00 H new ATOM 0 HE22 GLN A 84 8.104 3.862 11.949 1.00 0.00 H new ATOM 1270 N GLU A 85 11.143 2.594 6.954 1.00 0.00 N ATOM 1271 CA GLU A 85 12.053 1.479 7.189 1.00 0.00 C ATOM 1272 C GLU A 85 12.021 0.496 6.022 1.00 0.00 C ATOM 1273 O GLU A 85 11.779 -0.698 6.208 1.00 0.00 O ATOM 1274 CB GLU A 85 11.686 0.758 8.488 1.00 0.00 C ATOM 1275 CG GLU A 85 10.269 0.210 8.501 1.00 0.00 C ATOM 1276 CD GLU A 85 9.988 -0.653 9.716 1.00 0.00 C ATOM 1277 OE1 GLU A 85 10.203 -0.170 10.847 1.00 0.00 O ATOM 1278 OE2 GLU A 85 9.554 -1.810 9.535 1.00 0.00 O ATOM 0 H GLU A 85 11.542 3.513 7.146 1.00 0.00 H new ATOM 0 HA GLU A 85 13.063 1.879 7.277 1.00 0.00 H new ATOM 0 HB2 GLU A 85 12.385 -0.063 8.648 1.00 0.00 H new ATOM 0 HB3 GLU A 85 11.807 1.448 9.323 1.00 0.00 H new ATOM 0 HG2 GLU A 85 9.562 1.040 8.478 1.00 0.00 H new ATOM 0 HG3 GLU A 85 10.102 -0.376 7.597 1.00 0.00 H new ATOM 1285 N LEU A 86 12.267 1.005 4.820 1.00 0.00 N ATOM 1286 CA LEU A 86 12.267 0.173 3.622 1.00 0.00 C ATOM 1287 C LEU A 86 13.688 -0.049 3.113 1.00 0.00 C ATOM 1288 O LEU A 86 14.658 0.374 3.743 1.00 0.00 O ATOM 1289 CB LEU A 86 11.417 0.821 2.528 1.00 0.00 C ATOM 1290 CG LEU A 86 9.903 0.653 2.667 1.00 0.00 C ATOM 1291 CD1 LEU A 86 9.178 1.437 1.583 1.00 0.00 C ATOM 1292 CD2 LEU A 86 9.522 -0.819 2.609 1.00 0.00 C ATOM 0 H LEU A 86 12.469 1.990 4.649 1.00 0.00 H new ATOM 0 HA LEU A 86 11.838 -0.795 3.882 1.00 0.00 H new ATOM 0 HB2 LEU A 86 11.643 1.887 2.503 1.00 0.00 H new ATOM 0 HB3 LEU A 86 11.722 0.408 1.566 1.00 0.00 H new ATOM 0 HG LEU A 86 9.600 1.048 3.637 1.00 0.00 H new ATOM 0 HD11 LEU A 86 8.102 1.306 1.697 1.00 0.00 H new ATOM 0 HD12 LEU A 86 9.426 2.495 1.671 1.00 0.00 H new ATOM 0 HD13 LEU A 86 9.486 1.073 0.603 1.00 0.00 H new ATOM 0 HD21 LEU A 86 8.441 -0.919 2.710 1.00 0.00 H new ATOM 0 HD22 LEU A 86 9.838 -1.239 1.654 1.00 0.00 H new ATOM 0 HD23 LEU A 86 10.013 -1.354 3.422 1.00 0.00 H new ATOM 1304 N THR A 87 13.804 -0.715 1.968 1.00 0.00 N ATOM 1305 CA THR A 87 15.105 -0.993 1.374 1.00 0.00 C ATOM 1306 C THR A 87 15.373 -0.078 0.185 1.00 0.00 C ATOM 1307 O THR A 87 14.517 0.094 -0.685 1.00 0.00 O ATOM 1308 CB THR A 87 15.211 -2.459 0.914 1.00 0.00 C ATOM 1309 OG1 THR A 87 14.568 -3.318 1.862 1.00 0.00 O ATOM 1310 CG2 THR A 87 16.666 -2.872 0.753 1.00 0.00 C ATOM 0 H THR A 87 13.012 -1.072 1.434 1.00 0.00 H new ATOM 0 HA THR A 87 15.851 -0.808 2.147 1.00 0.00 H new ATOM 0 HB THR A 87 14.715 -2.550 -0.052 1.00 0.00 H new ATOM 0 HG1 THR A 87 14.066 -4.013 1.386 1.00 0.00 H new ATOM 0 HG21 THR A 87 16.715 -3.911 0.428 1.00 0.00 H new ATOM 0 HG22 THR A 87 17.145 -2.236 0.009 1.00 0.00 H new ATOM 0 HG23 THR A 87 17.182 -2.766 1.707 1.00 0.00 H new ATOM 1318 N LEU A 88 16.565 0.507 0.151 1.00 0.00 N ATOM 1319 CA LEU A 88 16.946 1.405 -0.934 1.00 0.00 C ATOM 1320 C LEU A 88 17.631 0.638 -2.061 1.00 0.00 C ATOM 1321 O LEU A 88 17.838 -0.572 -1.965 1.00 0.00 O ATOM 1322 CB LEU A 88 17.874 2.503 -0.412 1.00 0.00 C ATOM 1323 CG LEU A 88 17.416 3.222 0.858 1.00 0.00 C ATOM 1324 CD1 LEU A 88 18.592 3.902 1.541 1.00 0.00 C ATOM 1325 CD2 LEU A 88 16.327 4.234 0.533 1.00 0.00 C ATOM 0 H LEU A 88 17.284 0.376 0.862 1.00 0.00 H new ATOM 0 HA LEU A 88 16.039 1.862 -1.329 1.00 0.00 H new ATOM 0 HB2 LEU A 88 18.854 2.064 -0.224 1.00 0.00 H new ATOM 0 HB3 LEU A 88 18.004 3.246 -1.199 1.00 0.00 H new ATOM 0 HG LEU A 88 17.004 2.482 1.544 1.00 0.00 H new ATOM 0 HD11 LEU A 88 18.246 4.408 2.442 1.00 0.00 H new ATOM 0 HD12 LEU A 88 19.339 3.155 1.808 1.00 0.00 H new ATOM 0 HD13 LEU A 88 19.035 4.631 0.863 1.00 0.00 H new ATOM 0 HD21 LEU A 88 16.013 4.737 1.448 1.00 0.00 H new ATOM 0 HD22 LEU A 88 16.713 4.971 -0.171 1.00 0.00 H new ATOM 0 HD23 LEU A 88 15.474 3.721 0.089 1.00 0.00 H new ATOM 1337 N ASP A 89 17.981 1.350 -3.126 1.00 0.00 N ATOM 1338 CA ASP A 89 18.646 0.737 -4.270 1.00 0.00 C ATOM 1339 C ASP A 89 18.077 -0.651 -4.550 1.00 0.00 C ATOM 1340 O ASP A 89 18.814 -1.581 -4.879 1.00 0.00 O ATOM 1341 CB ASP A 89 20.153 0.643 -4.022 1.00 0.00 C ATOM 1342 CG ASP A 89 20.913 0.172 -5.246 1.00 0.00 C ATOM 1343 OD1 ASP A 89 20.261 -0.165 -6.256 1.00 0.00 O ATOM 1344 OD2 ASP A 89 22.160 0.142 -5.194 1.00 0.00 O ATOM 0 H ASP A 89 17.815 2.352 -3.221 1.00 0.00 H new ATOM 0 HA ASP A 89 18.468 1.366 -5.142 1.00 0.00 H new ATOM 0 HB2 ASP A 89 20.530 1.619 -3.718 1.00 0.00 H new ATOM 0 HB3 ASP A 89 20.340 -0.043 -3.196 1.00 0.00 H new ATOM 1349 N THR A 90 16.761 -0.784 -4.416 1.00 0.00 N ATOM 1350 CA THR A 90 16.094 -2.057 -4.652 1.00 0.00 C ATOM 1351 C THR A 90 14.684 -1.847 -5.193 1.00 0.00 C ATOM 1352 O THR A 90 13.922 -1.015 -4.701 1.00 0.00 O ATOM 1353 CB THR A 90 16.017 -2.899 -3.364 1.00 0.00 C ATOM 1354 OG1 THR A 90 17.335 -3.265 -2.939 1.00 0.00 O ATOM 1355 CG2 THR A 90 15.183 -4.152 -3.585 1.00 0.00 C ATOM 0 H THR A 90 16.136 -0.025 -4.145 1.00 0.00 H new ATOM 0 HA THR A 90 16.689 -2.592 -5.392 1.00 0.00 H new ATOM 0 HB THR A 90 15.540 -2.297 -2.590 1.00 0.00 H new ATOM 0 HG1 THR A 90 17.778 -2.487 -2.540 1.00 0.00 H new ATOM 0 HG21 THR A 90 15.143 -4.730 -2.662 1.00 0.00 H new ATOM 0 HG22 THR A 90 14.172 -3.869 -3.880 1.00 0.00 H new ATOM 0 HG23 THR A 90 15.635 -4.756 -4.372 1.00 0.00 H new ATOM 1363 N PRO A 91 14.326 -2.619 -6.229 1.00 0.00 N ATOM 1364 CA PRO A 91 13.004 -2.537 -6.858 1.00 0.00 C ATOM 1365 C PRO A 91 11.897 -3.068 -5.954 1.00 0.00 C ATOM 1366 O PRO A 91 11.991 -4.177 -5.427 1.00 0.00 O ATOM 1367 CB PRO A 91 13.148 -3.418 -8.102 1.00 0.00 C ATOM 1368 CG PRO A 91 14.233 -4.380 -7.761 1.00 0.00 C ATOM 1369 CD PRO A 91 15.183 -3.633 -6.866 1.00 0.00 C ATOM 0 HA PRO A 91 12.721 -1.508 -7.078 1.00 0.00 H new ATOM 0 HB2 PRO A 91 12.217 -3.936 -8.330 1.00 0.00 H new ATOM 0 HB3 PRO A 91 13.406 -2.825 -8.979 1.00 0.00 H new ATOM 0 HG2 PRO A 91 13.831 -5.259 -7.257 1.00 0.00 H new ATOM 0 HG3 PRO A 91 14.739 -4.732 -8.660 1.00 0.00 H new ATOM 0 HD2 PRO A 91 15.642 -4.292 -6.129 1.00 0.00 H new ATOM 0 HD3 PRO A 91 15.993 -3.175 -7.433 1.00 0.00 H new ATOM 1377 N TYR A 92 10.850 -2.270 -5.778 1.00 0.00 N ATOM 1378 CA TYR A 92 9.725 -2.659 -4.936 1.00 0.00 C ATOM 1379 C TYR A 92 8.401 -2.443 -5.661 1.00 0.00 C ATOM 1380 O TYR A 92 8.146 -1.369 -6.206 1.00 0.00 O ATOM 1381 CB TYR A 92 9.740 -1.863 -3.630 1.00 0.00 C ATOM 1382 CG TYR A 92 10.522 -2.532 -2.522 1.00 0.00 C ATOM 1383 CD1 TYR A 92 11.905 -2.647 -2.592 1.00 0.00 C ATOM 1384 CD2 TYR A 92 9.878 -3.049 -1.404 1.00 0.00 C ATOM 1385 CE1 TYR A 92 12.623 -3.258 -1.582 1.00 0.00 C ATOM 1386 CE2 TYR A 92 10.588 -3.661 -0.389 1.00 0.00 C ATOM 1387 CZ TYR A 92 11.960 -3.763 -0.483 1.00 0.00 C ATOM 1388 OH TYR A 92 12.672 -4.371 0.525 1.00 0.00 O ATOM 0 H TYR A 92 10.757 -1.349 -6.207 1.00 0.00 H new ATOM 0 HA TYR A 92 9.824 -3.720 -4.709 1.00 0.00 H new ATOM 0 HB2 TYR A 92 10.166 -0.878 -3.820 1.00 0.00 H new ATOM 0 HB3 TYR A 92 8.714 -1.708 -3.297 1.00 0.00 H new ATOM 0 HD1 TYR A 92 12.428 -2.252 -3.451 1.00 0.00 H new ATOM 0 HD2 TYR A 92 8.804 -2.971 -1.327 1.00 0.00 H new ATOM 0 HE1 TYR A 92 13.698 -3.340 -1.653 1.00 0.00 H new ATOM 0 HE2 TYR A 92 10.072 -4.057 0.473 1.00 0.00 H new ATOM 0 HH TYR A 92 12.056 -4.671 1.226 1.00 0.00 H new ATOM 1398 N TYR A 93 7.560 -3.472 -5.662 1.00 0.00 N ATOM 1399 CA TYR A 93 6.261 -3.397 -6.321 1.00 0.00 C ATOM 1400 C TYR A 93 5.143 -3.203 -5.301 1.00 0.00 C ATOM 1401 O TYR A 93 5.116 -3.860 -4.260 1.00 0.00 O ATOM 1402 CB TYR A 93 6.007 -4.664 -7.139 1.00 0.00 C ATOM 1403 CG TYR A 93 7.216 -5.137 -7.915 1.00 0.00 C ATOM 1404 CD1 TYR A 93 8.173 -5.951 -7.321 1.00 0.00 C ATOM 1405 CD2 TYR A 93 7.400 -4.770 -9.242 1.00 0.00 C ATOM 1406 CE1 TYR A 93 9.279 -6.384 -8.027 1.00 0.00 C ATOM 1407 CE2 TYR A 93 8.502 -5.200 -9.956 1.00 0.00 C ATOM 1408 CZ TYR A 93 9.439 -6.006 -9.343 1.00 0.00 C ATOM 1409 OH TYR A 93 10.538 -6.437 -10.050 1.00 0.00 O ATOM 0 H TYR A 93 7.755 -4.367 -5.214 1.00 0.00 H new ATOM 0 HA TYR A 93 6.270 -2.537 -6.990 1.00 0.00 H new ATOM 0 HB2 TYR A 93 5.682 -5.460 -6.469 1.00 0.00 H new ATOM 0 HB3 TYR A 93 5.189 -4.479 -7.835 1.00 0.00 H new ATOM 0 HD1 TYR A 93 8.050 -6.250 -6.291 1.00 0.00 H new ATOM 0 HD2 TYR A 93 6.669 -4.138 -9.724 1.00 0.00 H new ATOM 0 HE1 TYR A 93 10.014 -7.015 -7.550 1.00 0.00 H new ATOM 0 HE2 TYR A 93 8.629 -4.907 -10.988 1.00 0.00 H new ATOM 0 HH TYR A 93 10.499 -6.083 -10.963 1.00 0.00 H new ATOM 1419 N PHE A 94 4.222 -2.297 -5.609 1.00 0.00 N ATOM 1420 CA PHE A 94 3.100 -2.015 -4.720 1.00 0.00 C ATOM 1421 C PHE A 94 1.771 -2.267 -5.425 1.00 0.00 C ATOM 1422 O PHE A 94 1.670 -2.150 -6.647 1.00 0.00 O ATOM 1423 CB PHE A 94 3.163 -0.567 -4.229 1.00 0.00 C ATOM 1424 CG PHE A 94 4.456 -0.220 -3.548 1.00 0.00 C ATOM 1425 CD1 PHE A 94 4.614 -0.427 -2.187 1.00 0.00 C ATOM 1426 CD2 PHE A 94 5.513 0.312 -4.269 1.00 0.00 C ATOM 1427 CE1 PHE A 94 5.803 -0.108 -1.558 1.00 0.00 C ATOM 1428 CE2 PHE A 94 6.704 0.632 -3.645 1.00 0.00 C ATOM 1429 CZ PHE A 94 6.850 0.421 -2.288 1.00 0.00 C ATOM 0 H PHE A 94 4.230 -1.745 -6.467 1.00 0.00 H new ATOM 0 HA PHE A 94 3.170 -2.686 -3.864 1.00 0.00 H new ATOM 0 HB2 PHE A 94 3.017 0.102 -5.077 1.00 0.00 H new ATOM 0 HB3 PHE A 94 2.339 -0.390 -3.538 1.00 0.00 H new ATOM 0 HD1 PHE A 94 3.800 -0.842 -1.612 1.00 0.00 H new ATOM 0 HD2 PHE A 94 5.405 0.478 -5.331 1.00 0.00 H new ATOM 0 HE1 PHE A 94 5.913 -0.272 -0.496 1.00 0.00 H new ATOM 0 HE2 PHE A 94 7.520 1.047 -4.218 1.00 0.00 H new ATOM 0 HZ PHE A 94 7.780 0.669 -1.799 1.00 0.00 H new ATOM 1439 N LYS A 95 0.752 -2.615 -4.647 1.00 0.00 N ATOM 1440 CA LYS A 95 -0.573 -2.884 -5.194 1.00 0.00 C ATOM 1441 C LYS A 95 -1.662 -2.364 -4.262 1.00 0.00 C ATOM 1442 O LYS A 95 -1.646 -2.634 -3.061 1.00 0.00 O ATOM 1443 CB LYS A 95 -0.757 -4.386 -5.422 1.00 0.00 C ATOM 1444 CG LYS A 95 0.028 -4.922 -6.607 1.00 0.00 C ATOM 1445 CD LYS A 95 -0.500 -6.273 -7.060 1.00 0.00 C ATOM 1446 CE LYS A 95 0.064 -7.404 -6.213 1.00 0.00 C ATOM 1447 NZ LYS A 95 -0.712 -8.664 -6.383 1.00 0.00 N ATOM 0 H LYS A 95 0.818 -2.718 -3.634 1.00 0.00 H new ATOM 0 HA LYS A 95 -0.657 -2.364 -6.148 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -0.452 -4.921 -4.523 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -1.816 -4.595 -5.574 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -0.028 -4.213 -7.433 1.00 0.00 H new ATOM 0 HG3 LYS A 95 1.080 -5.013 -6.337 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -1.588 -6.279 -6.999 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -0.239 -6.435 -8.106 1.00 0.00 H new ATOM 0 HE2 LYS A 95 1.105 -7.579 -6.487 1.00 0.00 H new ATOM 0 HE3 LYS A 95 0.055 -7.111 -5.163 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -0.297 -9.410 -5.790 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -1.699 -8.505 -6.098 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -0.683 -8.958 -7.380 1.00 0.00 H new ATOM 1461 N ILE A 96 -2.608 -1.618 -4.823 1.00 0.00 N ATOM 1462 CA ILE A 96 -3.706 -1.063 -4.043 1.00 0.00 C ATOM 1463 C ILE A 96 -4.993 -1.850 -4.266 1.00 0.00 C ATOM 1464 O ILE A 96 -5.265 -2.311 -5.374 1.00 0.00 O ATOM 1465 CB ILE A 96 -3.955 0.416 -4.394 1.00 0.00 C ATOM 1466 CG1 ILE A 96 -2.702 1.248 -4.111 1.00 0.00 C ATOM 1467 CG2 ILE A 96 -5.143 0.954 -3.610 1.00 0.00 C ATOM 1468 CD1 ILE A 96 -2.670 2.564 -4.856 1.00 0.00 C ATOM 0 H ILE A 96 -2.635 -1.384 -5.815 1.00 0.00 H new ATOM 0 HA ILE A 96 -3.416 -1.136 -2.995 1.00 0.00 H new ATOM 0 HB ILE A 96 -4.184 0.488 -5.457 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -2.640 1.444 -3.041 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -1.821 0.666 -4.380 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -5.306 2.000 -3.869 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -6.034 0.376 -3.857 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -4.941 0.872 -2.542 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -1.754 3.101 -4.608 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -2.700 2.375 -5.929 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -3.532 3.166 -4.569 1.00 0.00 H new ATOM 1480 N GLN A 97 -5.781 -1.998 -3.206 1.00 0.00 N ATOM 1481 CA GLN A 97 -7.040 -2.729 -3.287 1.00 0.00 C ATOM 1482 C GLN A 97 -8.129 -2.029 -2.480 1.00 0.00 C ATOM 1483 O GLN A 97 -7.885 -1.557 -1.370 1.00 0.00 O ATOM 1484 CB GLN A 97 -6.856 -4.161 -2.784 1.00 0.00 C ATOM 1485 CG GLN A 97 -8.162 -4.925 -2.632 1.00 0.00 C ATOM 1486 CD GLN A 97 -8.088 -6.001 -1.567 1.00 0.00 C ATOM 1487 OE1 GLN A 97 -8.055 -5.706 -0.372 1.00 0.00 O ATOM 1488 NE2 GLN A 97 -8.062 -7.258 -1.995 1.00 0.00 N ATOM 0 H GLN A 97 -5.570 -1.622 -2.282 1.00 0.00 H new ATOM 0 HA GLN A 97 -7.349 -2.756 -4.332 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -6.208 -4.700 -3.475 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -6.345 -4.136 -1.822 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -8.960 -4.226 -2.382 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -8.425 -5.381 -3.586 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -8.091 -7.457 -2.995 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -8.013 -8.024 -1.324 1.00 0.00 H new ATOM 1497 N ALA A 98 -9.330 -1.966 -3.045 1.00 0.00 N ATOM 1498 CA ALA A 98 -10.456 -1.326 -2.377 1.00 0.00 C ATOM 1499 C ALA A 98 -11.390 -2.361 -1.762 1.00 0.00 C ATOM 1500 O ALA A 98 -11.628 -3.420 -2.343 1.00 0.00 O ATOM 1501 CB ALA A 98 -11.216 -0.441 -3.355 1.00 0.00 C ATOM 0 H ALA A 98 -9.548 -2.351 -3.964 1.00 0.00 H new ATOM 0 HA ALA A 98 -10.064 -0.705 -1.571 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -12.054 0.031 -2.843 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -10.549 0.328 -3.744 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -11.590 -1.048 -4.180 1.00 0.00 H new ATOM 1507 N ARG A 99 -11.917 -2.050 -0.582 1.00 0.00 N ATOM 1508 CA ARG A 99 -12.824 -2.955 0.113 1.00 0.00 C ATOM 1509 C ARG A 99 -13.908 -2.176 0.853 1.00 0.00 C ATOM 1510 O ARG A 99 -13.677 -1.061 1.318 1.00 0.00 O ATOM 1511 CB ARG A 99 -12.048 -3.831 1.099 1.00 0.00 C ATOM 1512 CG ARG A 99 -11.891 -3.206 2.476 1.00 0.00 C ATOM 1513 CD ARG A 99 -11.261 -4.179 3.460 1.00 0.00 C ATOM 1514 NE ARG A 99 -10.554 -3.489 4.536 1.00 0.00 N ATOM 1515 CZ ARG A 99 -11.166 -2.810 5.500 1.00 0.00 C ATOM 1516 NH1 ARG A 99 -12.489 -2.732 5.522 1.00 0.00 N ATOM 1517 NH2 ARG A 99 -10.454 -2.209 6.444 1.00 0.00 N ATOM 0 H ARG A 99 -11.731 -1.178 -0.087 1.00 0.00 H new ATOM 0 HA ARG A 99 -13.302 -3.592 -0.631 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -12.558 -4.789 1.200 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -11.060 -4.038 0.688 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -11.274 -2.311 2.402 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -12.866 -2.891 2.847 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -12.036 -4.816 3.886 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -10.567 -4.832 2.930 1.00 0.00 H new ATOM 0 HE ARG A 99 -9.535 -3.531 4.548 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -13.039 -3.194 4.798 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -12.957 -2.210 6.263 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -9.436 -2.268 6.430 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -10.925 -1.688 7.184 1.00 0.00 H new ATOM 1531 N ASN A 100 -15.091 -2.773 0.956 1.00 0.00 N ATOM 1532 CA ASN A 100 -16.212 -2.135 1.638 1.00 0.00 C ATOM 1533 C ASN A 100 -16.797 -3.057 2.703 1.00 0.00 C ATOM 1534 O ASN A 100 -16.285 -4.151 2.940 1.00 0.00 O ATOM 1535 CB ASN A 100 -17.296 -1.748 0.630 1.00 0.00 C ATOM 1536 CG ASN A 100 -17.521 -2.822 -0.417 1.00 0.00 C ATOM 1537 OD1 ASN A 100 -16.920 -3.895 -0.361 1.00 0.00 O ATOM 1538 ND2 ASN A 100 -18.390 -2.537 -1.380 1.00 0.00 N ATOM 0 H ASN A 100 -15.298 -3.697 0.576 1.00 0.00 H new ATOM 0 HA ASN A 100 -15.842 -1.234 2.127 1.00 0.00 H new ATOM 0 HB2 ASN A 100 -18.230 -1.559 1.159 1.00 0.00 H new ATOM 0 HB3 ASN A 100 -17.015 -0.817 0.137 1.00 0.00 H new ATOM 0 HD21 ASN A 100 -18.582 -3.220 -2.112 1.00 0.00 H new ATOM 0 HD22 ASN A 100 -18.866 -1.635 -1.387 1.00 0.00 H new ATOM 1545 N SER A 101 -17.873 -2.607 3.341 1.00 0.00 N ATOM 1546 CA SER A 101 -18.526 -3.390 4.384 1.00 0.00 C ATOM 1547 C SER A 101 -18.576 -4.867 4.003 1.00 0.00 C ATOM 1548 O SER A 101 -18.381 -5.744 4.845 1.00 0.00 O ATOM 1549 CB SER A 101 -19.943 -2.868 4.631 1.00 0.00 C ATOM 1550 OG SER A 101 -20.455 -3.346 5.863 1.00 0.00 O ATOM 0 H SER A 101 -18.311 -1.705 3.154 1.00 0.00 H new ATOM 0 HA SER A 101 -17.943 -3.288 5.300 1.00 0.00 H new ATOM 0 HB2 SER A 101 -19.937 -1.778 4.634 1.00 0.00 H new ATOM 0 HB3 SER A 101 -20.596 -3.181 3.816 1.00 0.00 H new ATOM 0 HG SER A 101 -21.361 -2.997 5.998 1.00 0.00 H new ATOM 1556 N LYS A 102 -18.837 -5.134 2.728 1.00 0.00 N ATOM 1557 CA LYS A 102 -18.911 -6.504 2.233 1.00 0.00 C ATOM 1558 C LYS A 102 -17.546 -7.180 2.295 1.00 0.00 C ATOM 1559 O LYS A 102 -17.295 -8.016 3.163 1.00 0.00 O ATOM 1560 CB LYS A 102 -19.435 -6.520 0.795 1.00 0.00 C ATOM 1561 CG LYS A 102 -20.919 -6.217 0.684 1.00 0.00 C ATOM 1562 CD LYS A 102 -21.764 -7.368 1.203 1.00 0.00 C ATOM 1563 CE LYS A 102 -22.065 -8.377 0.105 1.00 0.00 C ATOM 1564 NZ LYS A 102 -22.887 -9.514 0.606 1.00 0.00 N ATOM 0 H LYS A 102 -19.001 -4.420 2.018 1.00 0.00 H new ATOM 0 HA LYS A 102 -19.600 -7.058 2.871 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -18.879 -5.790 0.207 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -19.239 -7.499 0.357 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -21.150 -5.313 1.247 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -21.174 -6.018 -0.357 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -21.242 -7.864 2.021 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -22.698 -6.981 1.609 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -22.591 -7.880 -0.710 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -21.129 -8.758 -0.304 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -23.070 -10.179 -0.172 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -22.375 -10.004 1.367 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -23.791 -9.154 0.973 1.00 0.00 H new ATOM 1578 N GLY A 103 -16.664 -6.812 1.370 1.00 0.00 N ATOM 1579 CA GLY A 103 -15.335 -7.392 1.340 1.00 0.00 C ATOM 1580 C GLY A 103 -14.376 -6.599 0.473 1.00 0.00 C ATOM 1581 O GLY A 103 -14.624 -5.433 0.169 1.00 0.00 O ATOM 0 H GLY A 103 -16.847 -6.122 0.641 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -14.942 -7.446 2.355 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -15.396 -8.414 0.967 1.00 0.00 H new ATOM 1585 N MET A 104 -13.278 -7.233 0.076 1.00 0.00 N ATOM 1586 CA MET A 104 -12.279 -6.579 -0.761 1.00 0.00 C ATOM 1587 C MET A 104 -12.483 -6.934 -2.231 1.00 0.00 C ATOM 1588 O MET A 104 -13.404 -7.672 -2.578 1.00 0.00 O ATOM 1589 CB MET A 104 -10.870 -6.981 -0.319 1.00 0.00 C ATOM 1590 CG MET A 104 -10.824 -8.295 0.442 1.00 0.00 C ATOM 1591 SD MET A 104 -9.141 -8.881 0.715 1.00 0.00 S ATOM 1592 CE MET A 104 -9.036 -8.792 2.500 1.00 0.00 C ATOM 0 H MET A 104 -13.057 -8.198 0.320 1.00 0.00 H new ATOM 0 HA MET A 104 -12.395 -5.501 -0.646 1.00 0.00 H new ATOM 0 HB2 MET A 104 -10.230 -7.057 -1.198 1.00 0.00 H new ATOM 0 HB3 MET A 104 -10.456 -6.192 0.309 1.00 0.00 H new ATOM 0 HG2 MET A 104 -11.322 -8.171 1.404 1.00 0.00 H new ATOM 0 HG3 MET A 104 -11.382 -9.050 -0.111 1.00 0.00 H new ATOM 0 HE1 MET A 104 -7.989 -8.755 2.801 1.00 0.00 H new ATOM 0 HE2 MET A 104 -9.547 -7.895 2.850 1.00 0.00 H new ATOM 0 HE3 MET A 104 -9.508 -9.672 2.937 1.00 0.00 H new ATOM 1602 N GLY A 105 -11.619 -6.401 -3.090 1.00 0.00 N ATOM 1603 CA GLY A 105 -11.723 -6.673 -4.511 1.00 0.00 C ATOM 1604 C GLY A 105 -10.401 -7.096 -5.119 1.00 0.00 C ATOM 1605 O GLY A 105 -9.495 -7.560 -4.426 1.00 0.00 O ATOM 0 H GLY A 105 -10.849 -5.786 -2.827 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -12.462 -7.457 -4.674 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -12.086 -5.782 -5.023 1.00 0.00 H new ATOM 1609 N PRO A 106 -10.277 -6.940 -6.445 1.00 0.00 N ATOM 1610 CA PRO A 106 -9.060 -7.304 -7.176 1.00 0.00 C ATOM 1611 C PRO A 106 -7.893 -6.375 -6.859 1.00 0.00 C ATOM 1612 O PRO A 106 -8.057 -5.373 -6.163 1.00 0.00 O ATOM 1613 CB PRO A 106 -9.471 -7.165 -8.643 1.00 0.00 C ATOM 1614 CG PRO A 106 -10.588 -6.178 -8.631 1.00 0.00 C ATOM 1615 CD PRO A 106 -11.317 -6.394 -7.334 1.00 0.00 C ATOM 0 HA PRO A 106 -8.709 -8.301 -6.911 1.00 0.00 H new ATOM 0 HB2 PRO A 106 -8.640 -6.815 -9.256 1.00 0.00 H new ATOM 0 HB3 PRO A 106 -9.792 -8.121 -9.057 1.00 0.00 H new ATOM 0 HG2 PRO A 106 -10.209 -5.158 -8.700 1.00 0.00 H new ATOM 0 HG3 PRO A 106 -11.252 -6.330 -9.482 1.00 0.00 H new ATOM 0 HD2 PRO A 106 -11.730 -5.463 -6.945 1.00 0.00 H new ATOM 0 HD3 PRO A 106 -12.150 -7.087 -7.452 1.00 0.00 H new ATOM 1623 N MET A 107 -6.716 -6.714 -7.373 1.00 0.00 N ATOM 1624 CA MET A 107 -5.522 -5.908 -7.146 1.00 0.00 C ATOM 1625 C MET A 107 -5.068 -5.233 -8.436 1.00 0.00 C ATOM 1626 O MET A 107 -5.329 -5.728 -9.532 1.00 0.00 O ATOM 1627 CB MET A 107 -4.394 -6.776 -6.586 1.00 0.00 C ATOM 1628 CG MET A 107 -4.719 -7.402 -5.240 1.00 0.00 C ATOM 1629 SD MET A 107 -5.801 -8.837 -5.385 1.00 0.00 S ATOM 1630 CE MET A 107 -5.780 -9.448 -3.701 1.00 0.00 C ATOM 0 H MET A 107 -6.563 -7.541 -7.950 1.00 0.00 H new ATOM 0 HA MET A 107 -5.769 -5.134 -6.420 1.00 0.00 H new ATOM 0 HB2 MET A 107 -4.167 -7.568 -7.300 1.00 0.00 H new ATOM 0 HB3 MET A 107 -3.494 -6.169 -6.487 1.00 0.00 H new ATOM 0 HG2 MET A 107 -3.792 -7.699 -4.748 1.00 0.00 H new ATOM 0 HG3 MET A 107 -5.194 -6.657 -4.602 1.00 0.00 H new ATOM 0 HE1 MET A 107 -6.572 -10.185 -3.572 1.00 0.00 H new ATOM 0 HE2 MET A 107 -4.815 -9.912 -3.494 1.00 0.00 H new ATOM 0 HE3 MET A 107 -5.939 -8.619 -3.011 1.00 0.00 H new ATOM 1640 N SER A 108 -4.388 -4.099 -8.298 1.00 0.00 N ATOM 1641 CA SER A 108 -3.901 -3.354 -9.453 1.00 0.00 C ATOM 1642 C SER A 108 -2.557 -3.900 -9.925 1.00 0.00 C ATOM 1643 O SER A 108 -1.832 -4.538 -9.162 1.00 0.00 O ATOM 1644 CB SER A 108 -3.769 -1.869 -9.110 1.00 0.00 C ATOM 1645 OG SER A 108 -2.979 -1.683 -7.948 1.00 0.00 O ATOM 0 H SER A 108 -4.162 -3.676 -7.398 1.00 0.00 H new ATOM 0 HA SER A 108 -4.624 -3.470 -10.260 1.00 0.00 H new ATOM 0 HB2 SER A 108 -3.319 -1.337 -9.948 1.00 0.00 H new ATOM 0 HB3 SER A 108 -4.758 -1.439 -8.954 1.00 0.00 H new ATOM 0 HG SER A 108 -2.908 -0.726 -7.750 1.00 0.00 H new ATOM 1651 N GLU A 109 -2.232 -3.645 -11.189 1.00 0.00 N ATOM 1652 CA GLU A 109 -0.976 -4.112 -11.763 1.00 0.00 C ATOM 1653 C GLU A 109 0.199 -3.772 -10.851 1.00 0.00 C ATOM 1654 O GLU A 109 0.223 -2.715 -10.219 1.00 0.00 O ATOM 1655 CB GLU A 109 -0.759 -3.492 -13.145 1.00 0.00 C ATOM 1656 CG GLU A 109 -1.749 -3.976 -14.191 1.00 0.00 C ATOM 1657 CD GLU A 109 -1.375 -5.327 -14.768 1.00 0.00 C ATOM 1658 OE1 GLU A 109 -1.040 -6.237 -13.981 1.00 0.00 O ATOM 1659 OE2 GLU A 109 -1.417 -5.475 -16.007 1.00 0.00 O ATOM 0 H GLU A 109 -2.821 -3.118 -11.834 1.00 0.00 H new ATOM 0 HA GLU A 109 -1.034 -5.196 -11.864 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -0.831 -2.407 -13.063 1.00 0.00 H new ATOM 0 HB3 GLU A 109 0.253 -3.720 -13.481 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -2.742 -4.038 -13.745 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -1.807 -3.244 -14.997 1.00 0.00 H new ATOM 1666 N ALA A 110 1.173 -4.674 -10.787 1.00 0.00 N ATOM 1667 CA ALA A 110 2.351 -4.470 -9.954 1.00 0.00 C ATOM 1668 C ALA A 110 3.051 -3.161 -10.305 1.00 0.00 C ATOM 1669 O ALA A 110 3.700 -3.052 -11.345 1.00 0.00 O ATOM 1670 CB ALA A 110 3.312 -5.640 -10.102 1.00 0.00 C ATOM 0 H ALA A 110 1.169 -5.554 -11.303 1.00 0.00 H new ATOM 0 HA ALA A 110 2.025 -4.411 -8.916 1.00 0.00 H new ATOM 0 HB1 ALA A 110 4.187 -5.474 -9.474 1.00 0.00 H new ATOM 0 HB2 ALA A 110 2.815 -6.560 -9.795 1.00 0.00 H new ATOM 0 HB3 ALA A 110 3.623 -5.726 -11.143 1.00 0.00 H new ATOM 1676 N VAL A 111 2.914 -2.169 -9.431 1.00 0.00 N ATOM 1677 CA VAL A 111 3.534 -0.867 -9.648 1.00 0.00 C ATOM 1678 C VAL A 111 4.998 -0.878 -9.223 1.00 0.00 C ATOM 1679 O VAL A 111 5.308 -0.831 -8.033 1.00 0.00 O ATOM 1680 CB VAL A 111 2.794 0.242 -8.877 1.00 0.00 C ATOM 1681 CG1 VAL A 111 3.530 1.567 -9.012 1.00 0.00 C ATOM 1682 CG2 VAL A 111 1.360 0.367 -9.369 1.00 0.00 C ATOM 0 H VAL A 111 2.379 -2.242 -8.566 1.00 0.00 H new ATOM 0 HA VAL A 111 3.471 -0.660 -10.716 1.00 0.00 H new ATOM 0 HB VAL A 111 2.769 -0.027 -7.821 1.00 0.00 H new ATOM 0 HG11 VAL A 111 2.993 2.339 -8.461 1.00 0.00 H new ATOM 0 HG12 VAL A 111 4.537 1.467 -8.608 1.00 0.00 H new ATOM 0 HG13 VAL A 111 3.588 1.846 -10.064 1.00 0.00 H new ATOM 0 HG21 VAL A 111 0.852 1.155 -8.813 1.00 0.00 H new ATOM 0 HG22 VAL A 111 1.360 0.614 -10.431 1.00 0.00 H new ATOM 0 HG23 VAL A 111 0.839 -0.578 -9.216 1.00 0.00 H new ATOM 1692 N GLN A 112 5.893 -0.938 -10.204 1.00 0.00 N ATOM 1693 CA GLN A 112 7.325 -0.955 -9.931 1.00 0.00 C ATOM 1694 C GLN A 112 7.828 0.441 -9.576 1.00 0.00 C ATOM 1695 O GLN A 112 7.729 1.370 -10.379 1.00 0.00 O ATOM 1696 CB GLN A 112 8.090 -1.493 -11.141 1.00 0.00 C ATOM 1697 CG GLN A 112 9.510 -1.929 -10.817 1.00 0.00 C ATOM 1698 CD GLN A 112 10.266 -2.410 -12.040 1.00 0.00 C ATOM 1699 OE1 GLN A 112 9.672 -2.928 -12.987 1.00 0.00 O ATOM 1700 NE2 GLN A 112 11.583 -2.242 -12.027 1.00 0.00 N ATOM 0 H GLN A 112 5.652 -0.976 -11.194 1.00 0.00 H new ATOM 0 HA GLN A 112 7.499 -1.612 -9.079 1.00 0.00 H new ATOM 0 HB2 GLN A 112 7.545 -2.340 -11.558 1.00 0.00 H new ATOM 0 HB3 GLN A 112 8.122 -0.723 -11.912 1.00 0.00 H new ATOM 0 HG2 GLN A 112 10.048 -1.095 -10.367 1.00 0.00 H new ATOM 0 HG3 GLN A 112 9.481 -2.727 -10.075 1.00 0.00 H new ATOM 0 HE21 GLN A 112 12.034 -1.808 -11.221 1.00 0.00 H new ATOM 0 HE22 GLN A 112 12.144 -2.547 -12.823 1.00 0.00 H new ATOM 1709 N PHE A 113 8.367 0.582 -8.370 1.00 0.00 N ATOM 1710 CA PHE A 113 8.884 1.865 -7.909 1.00 0.00 C ATOM 1711 C PHE A 113 10.279 1.706 -7.312 1.00 0.00 C ATOM 1712 O PHE A 113 10.442 1.145 -6.229 1.00 0.00 O ATOM 1713 CB PHE A 113 7.940 2.476 -6.871 1.00 0.00 C ATOM 1714 CG PHE A 113 8.496 3.701 -6.202 1.00 0.00 C ATOM 1715 CD1 PHE A 113 9.347 3.586 -5.115 1.00 0.00 C ATOM 1716 CD2 PHE A 113 8.168 4.966 -6.661 1.00 0.00 C ATOM 1717 CE1 PHE A 113 9.861 4.711 -4.497 1.00 0.00 C ATOM 1718 CE2 PHE A 113 8.679 6.094 -6.047 1.00 0.00 C ATOM 1719 CZ PHE A 113 9.525 5.966 -4.963 1.00 0.00 C ATOM 0 H PHE A 113 8.457 -0.176 -7.694 1.00 0.00 H new ATOM 0 HA PHE A 113 8.949 2.532 -8.768 1.00 0.00 H new ATOM 0 HB2 PHE A 113 6.998 2.732 -7.355 1.00 0.00 H new ATOM 0 HB3 PHE A 113 7.715 1.727 -6.111 1.00 0.00 H new ATOM 0 HD1 PHE A 113 9.612 2.606 -4.746 1.00 0.00 H new ATOM 0 HD2 PHE A 113 7.506 5.072 -7.508 1.00 0.00 H new ATOM 0 HE1 PHE A 113 10.524 4.608 -3.651 1.00 0.00 H new ATOM 0 HE2 PHE A 113 8.417 7.075 -6.415 1.00 0.00 H new ATOM 0 HZ PHE A 113 9.923 6.847 -4.481 1.00 0.00 H new ATOM 1729 N ARG A 114 11.282 2.204 -8.028 1.00 0.00 N ATOM 1730 CA ARG A 114 12.664 2.116 -7.571 1.00 0.00 C ATOM 1731 C ARG A 114 12.904 3.044 -6.383 1.00 0.00 C ATOM 1732 O ARG A 114 12.637 4.244 -6.454 1.00 0.00 O ATOM 1733 CB ARG A 114 13.623 2.469 -8.709 1.00 0.00 C ATOM 1734 CG ARG A 114 15.006 1.857 -8.552 1.00 0.00 C ATOM 1735 CD ARG A 114 15.814 1.972 -9.835 1.00 0.00 C ATOM 1736 NE ARG A 114 16.172 3.356 -10.135 1.00 0.00 N ATOM 1737 CZ ARG A 114 16.603 3.762 -11.324 1.00 0.00 C ATOM 1738 NH1 ARG A 114 16.730 2.895 -12.319 1.00 0.00 N ATOM 1739 NH2 ARG A 114 16.909 5.038 -11.520 1.00 0.00 N ATOM 0 H ARG A 114 11.164 2.672 -8.926 1.00 0.00 H new ATOM 0 HA ARG A 114 12.850 1.090 -7.253 1.00 0.00 H new ATOM 0 HB2 ARG A 114 13.192 2.135 -9.653 1.00 0.00 H new ATOM 0 HB3 ARG A 114 13.719 3.553 -8.769 1.00 0.00 H new ATOM 0 HG2 ARG A 114 15.536 2.356 -7.741 1.00 0.00 H new ATOM 0 HG3 ARG A 114 14.911 0.808 -8.273 1.00 0.00 H new ATOM 0 HD2 ARG A 114 16.721 1.374 -9.747 1.00 0.00 H new ATOM 0 HD3 ARG A 114 15.239 1.559 -10.664 1.00 0.00 H new ATOM 0 HE ARG A 114 16.086 4.048 -9.391 1.00 0.00 H new ATOM 0 HH11 ARG A 114 16.496 1.913 -12.173 1.00 0.00 H new ATOM 0 HH12 ARG A 114 17.061 3.210 -13.231 1.00 0.00 H new ATOM 0 HH21 ARG A 114 16.813 5.708 -10.757 1.00 0.00 H new ATOM 0 HH22 ARG A 114 17.240 5.349 -12.433 1.00 0.00 H new ATOM 1753 N THR A 115 13.409 2.480 -5.291 1.00 0.00 N ATOM 1754 CA THR A 115 13.683 3.255 -4.087 1.00 0.00 C ATOM 1755 C THR A 115 14.812 4.252 -4.321 1.00 0.00 C ATOM 1756 O THR A 115 15.782 3.975 -5.027 1.00 0.00 O ATOM 1757 CB THR A 115 14.057 2.342 -2.904 1.00 0.00 C ATOM 1758 OG1 THR A 115 14.927 1.295 -3.349 1.00 0.00 O ATOM 1759 CG2 THR A 115 12.812 1.739 -2.271 1.00 0.00 C ATOM 0 H THR A 115 13.637 1.489 -5.215 1.00 0.00 H new ATOM 0 HA THR A 115 12.768 3.796 -3.844 1.00 0.00 H new ATOM 0 HB THR A 115 14.570 2.946 -2.155 1.00 0.00 H new ATOM 0 HG1 THR A 115 14.392 0.539 -3.669 1.00 0.00 H new ATOM 0 HG21 THR A 115 13.101 1.098 -1.438 1.00 0.00 H new ATOM 0 HG22 THR A 115 12.166 2.538 -1.907 1.00 0.00 H new ATOM 0 HG23 THR A 115 12.276 1.148 -3.014 1.00 0.00 H new ATOM 1767 N PRO A 116 14.686 5.442 -3.714 1.00 0.00 N ATOM 1768 CA PRO A 116 15.688 6.505 -3.841 1.00 0.00 C ATOM 1769 C PRO A 116 16.988 6.165 -3.121 1.00 0.00 C ATOM 1770 O PRO A 116 17.237 5.008 -2.779 1.00 0.00 O ATOM 1771 CB PRO A 116 15.011 7.710 -3.183 1.00 0.00 C ATOM 1772 CG PRO A 116 14.033 7.120 -2.227 1.00 0.00 C ATOM 1773 CD PRO A 116 13.557 5.841 -2.858 1.00 0.00 C ATOM 0 HA PRO A 116 15.974 6.674 -4.879 1.00 0.00 H new ATOM 0 HB2 PRO A 116 15.737 8.340 -2.669 1.00 0.00 H new ATOM 0 HB3 PRO A 116 14.513 8.337 -3.923 1.00 0.00 H new ATOM 0 HG2 PRO A 116 14.499 6.928 -1.260 1.00 0.00 H new ATOM 0 HG3 PRO A 116 13.201 7.801 -2.050 1.00 0.00 H new ATOM 0 HD2 PRO A 116 13.333 5.082 -2.108 1.00 0.00 H new ATOM 0 HD3 PRO A 116 12.647 5.994 -3.438 1.00 0.00 H new ATOM 1781 N LYS A 117 17.815 7.179 -2.891 1.00 0.00 N ATOM 1782 CA LYS A 117 19.090 6.989 -2.209 1.00 0.00 C ATOM 1783 C LYS A 117 19.347 8.115 -1.212 1.00 0.00 C ATOM 1784 O LYS A 117 18.778 9.200 -1.327 1.00 0.00 O ATOM 1785 CB LYS A 117 20.231 6.924 -3.227 1.00 0.00 C ATOM 1786 CG LYS A 117 20.188 5.690 -4.111 1.00 0.00 C ATOM 1787 CD LYS A 117 21.066 4.579 -3.561 1.00 0.00 C ATOM 1788 CE LYS A 117 20.638 4.173 -2.158 1.00 0.00 C ATOM 1789 NZ LYS A 117 21.461 3.051 -1.630 1.00 0.00 N ATOM 0 H LYS A 117 17.625 8.142 -3.167 1.00 0.00 H new ATOM 0 HA LYS A 117 19.045 6.047 -1.662 1.00 0.00 H new ATOM 0 HB2 LYS A 117 20.196 7.813 -3.857 1.00 0.00 H new ATOM 0 HB3 LYS A 117 21.182 6.947 -2.696 1.00 0.00 H new ATOM 0 HG2 LYS A 117 19.160 5.336 -4.193 1.00 0.00 H new ATOM 0 HG3 LYS A 117 20.517 5.950 -5.117 1.00 0.00 H new ATOM 0 HD2 LYS A 117 21.017 3.714 -4.222 1.00 0.00 H new ATOM 0 HD3 LYS A 117 22.105 4.909 -3.545 1.00 0.00 H new ATOM 0 HE2 LYS A 117 20.722 5.030 -1.490 1.00 0.00 H new ATOM 0 HE3 LYS A 117 19.588 3.879 -2.169 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 20.844 2.361 -1.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 21.960 2.587 -2.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 22.155 3.420 -0.949 1.00 0.00 H new ATOM 1803 N ALA A 118 20.208 7.849 -0.236 1.00 0.00 N ATOM 1804 CA ALA A 118 20.543 8.841 0.778 1.00 0.00 C ATOM 1805 C ALA A 118 21.587 9.824 0.261 1.00 0.00 C ATOM 1806 O ALA A 118 22.530 10.174 0.971 1.00 0.00 O ATOM 1807 CB ALA A 118 21.041 8.156 2.042 1.00 0.00 C ATOM 0 H ALA A 118 20.686 6.955 -0.126 1.00 0.00 H new ATOM 0 HA ALA A 118 19.639 9.402 1.014 1.00 0.00 H new ATOM 0 HB1 ALA A 118 21.288 8.909 2.791 1.00 0.00 H new ATOM 0 HB2 ALA A 118 20.263 7.499 2.430 1.00 0.00 H new ATOM 0 HB3 ALA A 118 21.930 7.569 1.812 1.00 0.00 H new