USER MOD reduce.3.24.130724 H: found=0, std=0, add=723, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 720 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 64 SER OG : rot -125:sc= 1.12 USER MOD Set 1.2: A 78 ASN : amide:sc= -3.66! C(o=-2.5!,f=-5.3!) USER MOD Set 2.1: A 67 CYS SG : rot -28:sc= 0.468 USER MOD Set 2.2: A 70 CYS SG : rot -22:sc= 1.27 USER MOD Set 2.3: A 84 HIS :FLIP no HD1:sc= -0.869 F(o=-3.5!,f=-1.4) USER MOD Set 2.4: A 101 CYS SG : rot 132:sc= -2.27! USER MOD Set 3.1: A 65 LYS NZ :NH3+ -130:sc= -0.0317 (180deg=-0.75) USER MOD Set 3.2: A 66 ASN : amide:sc= 0.114 K(o=0.083,f=-4.1) USER MOD Set 4.1: A 63 GLN : amide:sc= 0.0144 X(o=0.23,f=-0.03) USER MOD Set 4.2: A 98 TYR OH : rot -11:sc= 0.22 USER MOD Set 5.1: A 18 GLN : amide:sc= -0.678! C(o=0.58!,f=-11!) USER MOD Set 5.2: A 19 LYS NZ :NH3+ -137:sc= 1.26 (180deg=-0.0555) USER MOD Single : A 23 GLN : amide:sc= -0.0577 X(o=-0.058,f=0) USER MOD Single : A 24 MET CE :methyl -122:sc= -2.01 (180deg=-4.07!) USER MOD Single : A 25 LYS NZ :NH3+ 155:sc= 1.15! (180deg=0.941) USER MOD Single : A 27 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0621) USER MOD Single : A 29 MET CE :methyl -176:sc= -1.01 (180deg=-1.13) USER MOD Single : A 30 LYS NZ :NH3+ 140:sc= 0.602 (180deg=-1.74!) USER MOD Single : A 32 GLN :FLIP amide:sc= 0 F(o=-0.93,f=0) USER MOD Single : A 35 GLN : amide:sc= -0.334 X(o=-0.33,f=-0.68) USER MOD Single : A 39 LYS NZ :NH3+ -165:sc= -0.0264 (180deg=-0.264) USER MOD Single : A 41 ASN : amide:sc= -0.0194 X(o=-0.019,f=0) USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 MET CE :methyl 144:sc= -1.98! (180deg=-4.5!) USER MOD Single : A 52 LYS NZ :NH3+ -169:sc= -0.0225 (180deg=-0.159) USER MOD Single : A 53 SER OG : rot 83:sc= 1.21 USER MOD Single : A 55 ASN : amide:sc= -0.103 X(o=-0.1,f=-0.13) USER MOD Single : A 56 LYS NZ :NH3+ 172:sc= 1.27 (180deg=1.21) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 30:sc= 0 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 75 ASN : amide:sc= 0 X(o=0,f=-0.041) USER MOD Single : A 76 CYS SG : rot 38:sc= 0.0136 USER MOD Single : A 77 ASN : amide:sc= 0.0646 X(o=0.065,f=-0.33) USER MOD Single : A 83 TYR OH : rot -113:sc= 0.793 USER MOD Single : A 86 LYS NZ :NH3+ 132:sc= 0.992 (180deg=-1.37!) USER MOD Single : A 90 ASN : amide:sc= -0.102 K(o=-0.1,f=-1.5!) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 104 LYS NZ :NH3+ -143:sc= -0.378 (180deg=-2.49!) USER MOD ----------------------------------------------------------------- ATOM 225 N ASP A 16 -18.870 4.216 5.946 1.00 0.00 N ATOM 226 CA ASP A 16 -19.731 4.778 4.897 1.00 0.00 C ATOM 227 C ASP A 16 -19.153 6.069 4.323 1.00 0.00 C ATOM 228 O ASP A 16 -19.476 6.456 3.198 1.00 0.00 O ATOM 229 CB ASP A 16 -21.139 5.058 5.441 1.00 0.00 C ATOM 230 CG ASP A 16 -21.966 3.805 5.655 1.00 0.00 C ATOM 231 OD1 ASP A 16 -21.795 3.136 6.696 1.00 0.00 O ATOM 232 OD2 ASP A 16 -22.818 3.500 4.795 1.00 0.00 O ATOM 0 HA ASP A 16 -19.786 4.036 4.101 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -21.054 5.594 6.387 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -21.663 5.716 4.748 1.00 0.00 H new ATOM 237 N PHE A 17 -18.315 6.739 5.109 1.00 0.00 N ATOM 238 CA PHE A 17 -17.641 7.955 4.672 1.00 0.00 C ATOM 239 C PHE A 17 -16.918 7.739 3.344 1.00 0.00 C ATOM 240 O PHE A 17 -17.043 8.544 2.421 1.00 0.00 O ATOM 241 CB PHE A 17 -16.648 8.420 5.741 1.00 0.00 C ATOM 242 CG PHE A 17 -15.960 9.716 5.412 1.00 0.00 C ATOM 243 CD1 PHE A 17 -16.556 10.930 5.715 1.00 0.00 C ATOM 244 CD2 PHE A 17 -14.715 9.719 4.803 1.00 0.00 C ATOM 245 CE1 PHE A 17 -15.924 12.121 5.416 1.00 0.00 C ATOM 246 CE2 PHE A 17 -14.077 10.908 4.504 1.00 0.00 C ATOM 247 CZ PHE A 17 -14.683 12.110 4.811 1.00 0.00 C ATOM 0 H PHE A 17 -18.086 6.455 6.062 1.00 0.00 H new ATOM 0 HA PHE A 17 -18.397 8.726 4.525 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -17.175 8.530 6.689 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -15.894 7.646 5.884 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -17.526 10.945 6.190 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -14.238 8.781 4.559 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -16.400 13.060 5.655 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -13.106 10.897 4.031 1.00 0.00 H new ATOM 0 HZ PHE A 17 -14.187 13.041 4.578 1.00 0.00 H new ATOM 257 N GLN A 18 -16.174 6.644 3.240 1.00 0.00 N ATOM 258 CA GLN A 18 -15.409 6.368 2.034 1.00 0.00 C ATOM 259 C GLN A 18 -16.348 5.985 0.896 1.00 0.00 C ATOM 260 O GLN A 18 -16.075 6.251 -0.273 1.00 0.00 O ATOM 261 CB GLN A 18 -14.362 5.271 2.298 1.00 0.00 C ATOM 262 CG GLN A 18 -14.894 3.835 2.265 1.00 0.00 C ATOM 263 CD GLN A 18 -14.834 3.181 0.887 1.00 0.00 C ATOM 264 OE1 GLN A 18 -15.681 2.358 0.549 1.00 0.00 O ATOM 265 NE2 GLN A 18 -13.823 3.509 0.094 1.00 0.00 N ATOM 0 H GLN A 18 -16.085 5.939 3.971 1.00 0.00 H new ATOM 0 HA GLN A 18 -14.872 7.269 1.738 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -13.568 5.364 1.557 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -13.910 5.451 3.273 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -14.321 3.230 2.968 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -15.927 3.833 2.612 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -13.135 4.196 0.402 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -13.733 3.074 -0.824 1.00 0.00 H new ATOM 274 N LYS A 19 -17.471 5.379 1.257 1.00 0.00 N ATOM 275 CA LYS A 19 -18.455 4.946 0.281 1.00 0.00 C ATOM 276 C LYS A 19 -19.180 6.132 -0.340 1.00 0.00 C ATOM 277 O LYS A 19 -19.400 6.158 -1.545 1.00 0.00 O ATOM 278 CB LYS A 19 -19.461 3.988 0.919 1.00 0.00 C ATOM 279 CG LYS A 19 -18.933 2.578 1.083 1.00 0.00 C ATOM 280 CD LYS A 19 -18.788 1.894 -0.265 1.00 0.00 C ATOM 281 CE LYS A 19 -18.495 0.415 -0.113 1.00 0.00 C ATOM 282 NZ LYS A 19 -17.254 0.163 0.663 1.00 0.00 N ATOM 0 H LYS A 19 -17.722 5.176 2.225 1.00 0.00 H new ATOM 0 HA LYS A 19 -17.923 4.421 -0.513 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -19.750 4.375 1.896 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -20.363 3.961 0.308 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -17.968 2.603 1.588 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -19.609 2.003 1.716 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -19.704 2.026 -0.841 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -17.985 2.368 -0.829 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -19.336 -0.071 0.383 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -18.402 -0.038 -1.100 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -16.704 -0.590 0.203 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -16.686 1.033 0.701 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -17.502 -0.131 1.629 1.00 0.00 H new ATOM 296 N ARG A 20 -19.552 7.112 0.474 1.00 0.00 N ATOM 297 CA ARG A 20 -20.238 8.294 -0.039 1.00 0.00 C ATOM 298 C ARG A 20 -19.270 9.181 -0.815 1.00 0.00 C ATOM 299 O ARG A 20 -19.654 9.832 -1.788 1.00 0.00 O ATOM 300 CB ARG A 20 -20.903 9.082 1.092 1.00 0.00 C ATOM 301 CG ARG A 20 -19.932 9.673 2.097 1.00 0.00 C ATOM 302 CD ARG A 20 -20.662 10.385 3.218 1.00 0.00 C ATOM 303 NE ARG A 20 -21.499 9.470 3.990 1.00 0.00 N ATOM 304 CZ ARG A 20 -21.528 9.419 5.323 1.00 0.00 C ATOM 305 NH1 ARG A 20 -20.794 10.256 6.048 1.00 0.00 N ATOM 306 NH2 ARG A 20 -22.304 8.540 5.933 1.00 0.00 N ATOM 0 H ARG A 20 -19.393 7.114 1.482 1.00 0.00 H new ATOM 0 HA ARG A 20 -21.021 7.959 -0.719 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -21.494 9.888 0.658 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -21.597 8.425 1.617 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -19.309 8.881 2.512 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -19.265 10.373 1.593 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -19.937 10.860 3.879 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -21.281 11.179 2.801 1.00 0.00 H new ATOM 0 HE ARG A 20 -22.101 8.827 3.476 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -20.201 10.946 5.586 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -20.823 10.209 7.066 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -22.880 7.901 5.385 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -22.327 8.500 6.952 1.00 0.00 H new ATOM 320 N LEU A 21 -18.011 9.184 -0.392 1.00 0.00 N ATOM 321 CA LEU A 21 -16.976 9.942 -1.077 1.00 0.00 C ATOM 322 C LEU A 21 -16.747 9.383 -2.478 1.00 0.00 C ATOM 323 O LEU A 21 -16.759 10.119 -3.464 1.00 0.00 O ATOM 324 CB LEU A 21 -15.679 9.882 -0.264 1.00 0.00 C ATOM 325 CG LEU A 21 -14.425 10.367 -0.988 1.00 0.00 C ATOM 326 CD1 LEU A 21 -14.526 11.850 -1.313 1.00 0.00 C ATOM 327 CD2 LEU A 21 -13.190 10.086 -0.147 1.00 0.00 C ATOM 0 H LEU A 21 -17.684 8.668 0.425 1.00 0.00 H new ATOM 0 HA LEU A 21 -17.295 10.980 -1.170 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -15.809 10.478 0.639 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -15.518 8.852 0.054 1.00 0.00 H new ATOM 0 HG LEU A 21 -14.338 9.822 -1.928 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -13.621 12.172 -1.828 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -15.390 12.024 -1.954 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -14.639 12.418 -0.390 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -12.303 10.437 -0.675 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -13.274 10.606 0.807 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -13.107 9.014 0.030 1.00 0.00 H new ATOM 339 N GLU A 22 -16.576 8.076 -2.556 1.00 0.00 N ATOM 340 CA GLU A 22 -16.378 7.405 -3.827 1.00 0.00 C ATOM 341 C GLU A 22 -17.670 7.333 -4.642 1.00 0.00 C ATOM 342 O GLU A 22 -17.625 7.200 -5.855 1.00 0.00 O ATOM 343 CB GLU A 22 -15.771 6.024 -3.616 1.00 0.00 C ATOM 344 CG GLU A 22 -14.354 6.084 -3.062 1.00 0.00 C ATOM 345 CD GLU A 22 -13.387 6.809 -3.990 1.00 0.00 C ATOM 346 OE1 GLU A 22 -13.419 8.061 -4.037 1.00 0.00 O ATOM 347 OE2 GLU A 22 -12.589 6.134 -4.668 1.00 0.00 O ATOM 0 H GLU A 22 -16.570 7.454 -1.747 1.00 0.00 H new ATOM 0 HA GLU A 22 -15.673 7.999 -4.409 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -16.401 5.455 -2.932 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -15.764 5.486 -4.564 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -14.368 6.587 -2.095 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -13.993 5.070 -2.889 1.00 0.00 H new ATOM 354 N GLN A 23 -18.817 7.380 -3.977 1.00 0.00 N ATOM 355 CA GLN A 23 -20.105 7.436 -4.675 1.00 0.00 C ATOM 356 C GLN A 23 -20.223 8.694 -5.522 1.00 0.00 C ATOM 357 O GLN A 23 -20.461 8.621 -6.731 1.00 0.00 O ATOM 358 CB GLN A 23 -21.257 7.378 -3.677 1.00 0.00 C ATOM 359 CG GLN A 23 -21.895 6.004 -3.575 1.00 0.00 C ATOM 360 CD GLN A 23 -22.942 5.925 -2.486 1.00 0.00 C ATOM 361 OE1 GLN A 23 -24.123 6.184 -2.719 1.00 0.00 O ATOM 362 NE2 GLN A 23 -22.513 5.567 -1.287 1.00 0.00 N ATOM 0 H GLN A 23 -18.887 7.381 -2.959 1.00 0.00 H new ATOM 0 HA GLN A 23 -20.158 6.571 -5.336 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -20.892 7.675 -2.694 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -22.017 8.103 -3.968 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -22.351 5.748 -4.531 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -21.120 5.262 -3.383 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -21.525 5.361 -1.139 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -23.170 5.496 -0.510 1.00 0.00 H new ATOM 371 N MET A 24 -20.075 9.849 -4.889 1.00 0.00 N ATOM 372 CA MET A 24 -20.090 11.108 -5.624 1.00 0.00 C ATOM 373 C MET A 24 -18.945 11.137 -6.633 1.00 0.00 C ATOM 374 O MET A 24 -19.086 11.663 -7.733 1.00 0.00 O ATOM 375 CB MET A 24 -20.019 12.312 -4.676 1.00 0.00 C ATOM 376 CG MET A 24 -18.770 12.375 -3.814 1.00 0.00 C ATOM 377 SD MET A 24 -18.809 13.752 -2.644 1.00 0.00 S ATOM 378 CE MET A 24 -19.004 15.144 -3.755 1.00 0.00 C ATOM 0 H MET A 24 -19.945 9.942 -3.882 1.00 0.00 H new ATOM 0 HA MET A 24 -21.034 11.178 -6.164 1.00 0.00 H new ATOM 0 HB2 MET A 24 -20.081 13.226 -5.267 1.00 0.00 H new ATOM 0 HB3 MET A 24 -20.892 12.294 -4.024 1.00 0.00 H new ATOM 0 HG2 MET A 24 -18.663 11.439 -3.266 1.00 0.00 H new ATOM 0 HG3 MET A 24 -17.894 12.471 -4.455 1.00 0.00 H new ATOM 0 HE1 MET A 24 -18.178 15.841 -3.614 1.00 0.00 H new ATOM 0 HE2 MET A 24 -19.008 14.789 -4.786 1.00 0.00 H new ATOM 0 HE3 MET A 24 -19.946 15.650 -3.542 1.00 0.00 H new ATOM 388 N LYS A 25 -17.824 10.545 -6.243 1.00 0.00 N ATOM 389 CA LYS A 25 -16.671 10.364 -7.122 1.00 0.00 C ATOM 390 C LYS A 25 -17.057 9.572 -8.374 1.00 0.00 C ATOM 391 O LYS A 25 -16.699 9.941 -9.490 1.00 0.00 O ATOM 392 CB LYS A 25 -15.587 9.614 -6.349 1.00 0.00 C ATOM 393 CG LYS A 25 -14.324 9.326 -7.134 1.00 0.00 C ATOM 394 CD LYS A 25 -13.424 10.540 -7.225 1.00 0.00 C ATOM 395 CE LYS A 25 -12.029 10.215 -6.720 1.00 0.00 C ATOM 396 NZ LYS A 25 -12.009 9.955 -5.253 1.00 0.00 N ATOM 0 H LYS A 25 -17.686 10.174 -5.303 1.00 0.00 H new ATOM 0 HA LYS A 25 -16.305 11.340 -7.442 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -15.323 10.196 -5.466 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -16.001 8.669 -5.996 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -13.782 8.507 -6.661 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -14.589 8.995 -8.138 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -13.371 10.883 -8.258 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -13.847 11.357 -6.640 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -11.648 9.341 -7.248 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -11.359 11.043 -6.950 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -11.196 9.350 -5.019 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -11.928 10.857 -4.742 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -12.889 9.477 -4.973 1.00 0.00 H new ATOM 410 N GLU A 26 -17.788 8.484 -8.160 1.00 0.00 N ATOM 411 CA GLU A 26 -18.228 7.582 -9.222 1.00 0.00 C ATOM 412 C GLU A 26 -18.949 8.345 -10.326 1.00 0.00 C ATOM 413 O GLU A 26 -18.654 8.181 -11.510 1.00 0.00 O ATOM 414 CB GLU A 26 -19.164 6.525 -8.625 1.00 0.00 C ATOM 415 CG GLU A 26 -19.607 5.457 -9.605 1.00 0.00 C ATOM 416 CD GLU A 26 -18.461 4.588 -10.070 1.00 0.00 C ATOM 417 OE1 GLU A 26 -17.704 5.021 -10.952 1.00 0.00 O ATOM 418 OE2 GLU A 26 -18.330 3.453 -9.571 1.00 0.00 O ATOM 0 H GLU A 26 -18.097 8.198 -7.231 1.00 0.00 H new ATOM 0 HA GLU A 26 -17.353 7.103 -9.660 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -18.662 6.045 -7.785 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -20.047 7.023 -8.225 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -20.367 4.831 -9.137 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -20.073 5.931 -10.469 1.00 0.00 H new ATOM 425 N LYS A 27 -19.898 9.177 -9.925 1.00 0.00 N ATOM 426 CA LYS A 27 -20.630 10.016 -10.867 1.00 0.00 C ATOM 427 C LYS A 27 -19.678 10.929 -11.631 1.00 0.00 C ATOM 428 O LYS A 27 -19.711 10.990 -12.859 1.00 0.00 O ATOM 429 CB LYS A 27 -21.676 10.858 -10.134 1.00 0.00 C ATOM 430 CG LYS A 27 -22.894 10.070 -9.683 1.00 0.00 C ATOM 431 CD LYS A 27 -23.747 9.635 -10.866 1.00 0.00 C ATOM 432 CE LYS A 27 -24.300 10.826 -11.637 1.00 0.00 C ATOM 433 NZ LYS A 27 -25.264 11.622 -10.831 1.00 0.00 N ATOM 0 H LYS A 27 -20.181 9.291 -8.952 1.00 0.00 H new ATOM 0 HA LYS A 27 -21.135 9.362 -11.578 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -21.211 11.320 -9.263 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -22.001 11.667 -10.788 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -22.573 9.192 -9.122 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -23.493 10.680 -9.006 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -23.150 9.015 -11.535 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -24.572 9.018 -10.511 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -23.476 11.467 -11.951 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -24.792 10.473 -12.543 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -25.714 12.338 -11.436 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -25.993 10.992 -10.439 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -24.760 12.094 -10.053 1.00 0.00 H new ATOM 447 N VAL A 28 -18.813 11.608 -10.894 1.00 0.00 N ATOM 448 CA VAL A 28 -17.913 12.595 -11.478 1.00 0.00 C ATOM 449 C VAL A 28 -16.925 11.953 -12.454 1.00 0.00 C ATOM 450 O VAL A 28 -16.672 12.484 -13.536 1.00 0.00 O ATOM 451 CB VAL A 28 -17.123 13.355 -10.380 1.00 0.00 C ATOM 452 CG1 VAL A 28 -16.198 14.387 -10.992 1.00 0.00 C ATOM 453 CG2 VAL A 28 -18.063 14.020 -9.388 1.00 0.00 C ATOM 0 H VAL A 28 -18.714 11.494 -9.885 1.00 0.00 H new ATOM 0 HA VAL A 28 -18.538 13.301 -12.025 1.00 0.00 H new ATOM 0 HB VAL A 28 -16.520 12.622 -9.845 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -15.656 14.905 -10.201 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -15.487 13.892 -11.654 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -16.784 15.108 -11.563 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -17.481 14.545 -8.631 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -18.701 14.731 -9.912 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -18.682 13.262 -8.909 1.00 0.00 H new ATOM 463 N MET A 29 -16.401 10.791 -12.087 1.00 0.00 N ATOM 464 CA MET A 29 -15.319 10.162 -12.843 1.00 0.00 C ATOM 465 C MET A 29 -15.792 9.558 -14.165 1.00 0.00 C ATOM 466 O MET A 29 -14.976 9.064 -14.939 1.00 0.00 O ATOM 467 CB MET A 29 -14.633 9.067 -12.015 1.00 0.00 C ATOM 468 CG MET A 29 -15.474 7.812 -11.834 1.00 0.00 C ATOM 469 SD MET A 29 -14.513 6.396 -11.258 1.00 0.00 S ATOM 470 CE MET A 29 -13.985 6.961 -9.645 1.00 0.00 C ATOM 0 H MET A 29 -16.706 10.262 -11.270 1.00 0.00 H new ATOM 0 HA MET A 29 -14.611 10.959 -13.068 1.00 0.00 H new ATOM 0 HB2 MET A 29 -13.693 8.796 -12.496 1.00 0.00 H new ATOM 0 HB3 MET A 29 -14.384 9.470 -11.033 1.00 0.00 H new ATOM 0 HG2 MET A 29 -16.273 8.016 -11.121 1.00 0.00 H new ATOM 0 HG3 MET A 29 -15.950 7.560 -12.782 1.00 0.00 H new ATOM 0 HE1 MET A 29 -13.323 6.219 -9.198 1.00 0.00 H new ATOM 0 HE2 MET A 29 -13.454 7.907 -9.747 1.00 0.00 H new ATOM 0 HE3 MET A 29 -14.856 7.101 -9.005 1.00 0.00 H new ATOM 480 N LYS A 30 -17.091 9.577 -14.433 1.00 0.00 N ATOM 481 CA LYS A 30 -17.590 8.967 -15.663 1.00 0.00 C ATOM 482 C LYS A 30 -18.467 9.894 -16.485 1.00 0.00 C ATOM 483 O LYS A 30 -18.889 9.535 -17.588 1.00 0.00 O ATOM 484 CB LYS A 30 -18.335 7.681 -15.357 1.00 0.00 C ATOM 485 CG LYS A 30 -17.431 6.470 -15.429 1.00 0.00 C ATOM 486 CD LYS A 30 -17.481 5.673 -14.151 1.00 0.00 C ATOM 487 CE LYS A 30 -18.784 4.908 -14.031 1.00 0.00 C ATOM 488 NZ LYS A 30 -18.678 3.812 -13.041 1.00 0.00 N ATOM 0 H LYS A 30 -17.803 9.995 -13.835 1.00 0.00 H new ATOM 0 HA LYS A 30 -16.711 8.749 -16.270 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -18.776 7.746 -14.362 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -19.157 7.562 -16.063 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -17.731 5.839 -16.266 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -16.407 6.789 -15.621 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -16.643 4.976 -14.121 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -17.369 6.342 -13.298 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -19.582 5.590 -13.737 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -19.057 4.497 -15.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -19.556 3.759 -12.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -18.526 2.910 -13.536 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -17.877 3.996 -12.404 1.00 0.00 H new ATOM 502 N ASP A 31 -18.741 11.076 -15.974 1.00 0.00 N ATOM 503 CA ASP A 31 -19.533 12.032 -16.716 1.00 0.00 C ATOM 504 C ASP A 31 -18.684 12.695 -17.797 1.00 0.00 C ATOM 505 O ASP A 31 -17.602 13.217 -17.527 1.00 0.00 O ATOM 506 CB ASP A 31 -20.155 13.053 -15.772 1.00 0.00 C ATOM 507 CG ASP A 31 -21.646 12.820 -15.599 1.00 0.00 C ATOM 508 OD1 ASP A 31 -22.427 13.241 -16.474 1.00 0.00 O ATOM 509 OD2 ASP A 31 -22.047 12.176 -14.602 1.00 0.00 O ATOM 0 H ASP A 31 -18.430 11.395 -15.056 1.00 0.00 H new ATOM 0 HA ASP A 31 -20.350 11.511 -17.215 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -19.663 12.999 -14.801 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -19.986 14.058 -16.159 1.00 0.00 H new ATOM 514 N GLN A 32 -19.182 12.645 -19.029 1.00 0.00 N ATOM 515 CA GLN A 32 -18.397 13.016 -20.210 1.00 0.00 C ATOM 516 C GLN A 32 -18.047 14.500 -20.250 1.00 0.00 C ATOM 517 O GLN A 32 -16.987 14.877 -20.755 1.00 0.00 O ATOM 518 CB GLN A 32 -19.137 12.619 -21.485 1.00 0.00 C ATOM 519 CG GLN A 32 -20.522 13.229 -21.624 1.00 0.00 C ATOM 520 CD GLN A 32 -21.261 12.707 -22.842 1.00 0.00 C ATOM 521 OE1 GLN A 32 -20.521 12.328 -23.875 1.00 0.00 O flip ATOM 522 NE2 GLN A 32 -22.489 12.636 -22.853 1.00 0.00 N flip ATOM 0 H GLN A 32 -20.135 12.349 -19.240 1.00 0.00 H new ATOM 0 HA GLN A 32 -17.456 12.469 -20.144 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -18.536 12.913 -22.346 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -19.227 11.533 -21.515 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -21.104 13.012 -20.728 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -20.434 14.313 -21.692 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -23.025 12.937 -22.039 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -22.972 12.276 -23.676 1.00 0.00 H new ATOM 531 N ASP A 33 -18.930 15.337 -19.735 1.00 0.00 N ATOM 532 CA ASP A 33 -18.665 16.772 -19.669 1.00 0.00 C ATOM 533 C ASP A 33 -17.518 17.052 -18.708 1.00 0.00 C ATOM 534 O ASP A 33 -16.647 17.881 -18.988 1.00 0.00 O ATOM 535 CB ASP A 33 -19.919 17.555 -19.261 1.00 0.00 C ATOM 536 CG ASP A 33 -20.772 16.831 -18.238 1.00 0.00 C ATOM 537 OD1 ASP A 33 -20.208 16.155 -17.355 1.00 0.00 O ATOM 538 OD2 ASP A 33 -22.011 16.918 -18.341 1.00 0.00 O ATOM 0 H ASP A 33 -19.834 15.054 -19.357 1.00 0.00 H new ATOM 0 HA ASP A 33 -18.378 17.109 -20.665 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -19.619 18.521 -18.855 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -20.519 17.754 -20.149 1.00 0.00 H new ATOM 543 N VAL A 34 -17.520 16.348 -17.587 1.00 0.00 N ATOM 544 CA VAL A 34 -16.410 16.386 -16.647 1.00 0.00 C ATOM 545 C VAL A 34 -15.114 15.953 -17.338 1.00 0.00 C ATOM 546 O VAL A 34 -14.076 16.597 -17.188 1.00 0.00 O ATOM 547 CB VAL A 34 -16.678 15.476 -15.428 1.00 0.00 C ATOM 548 CG1 VAL A 34 -15.495 15.478 -14.470 1.00 0.00 C ATOM 549 CG2 VAL A 34 -17.949 15.909 -14.709 1.00 0.00 C ATOM 0 H VAL A 34 -18.286 15.737 -17.304 1.00 0.00 H new ATOM 0 HA VAL A 34 -16.307 17.412 -16.295 1.00 0.00 H new ATOM 0 HB VAL A 34 -16.813 14.457 -15.792 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -15.713 14.829 -13.622 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -14.607 15.114 -14.987 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -15.317 16.493 -14.114 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -18.123 15.257 -13.853 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -17.840 16.938 -14.366 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -18.795 15.842 -15.393 1.00 0.00 H new ATOM 559 N GLN A 35 -15.197 14.873 -18.115 1.00 0.00 N ATOM 560 CA GLN A 35 -14.049 14.363 -18.871 1.00 0.00 C ATOM 561 C GLN A 35 -13.463 15.445 -19.764 1.00 0.00 C ATOM 562 O GLN A 35 -12.253 15.684 -19.763 1.00 0.00 O ATOM 563 CB GLN A 35 -14.465 13.184 -19.749 1.00 0.00 C ATOM 564 CG GLN A 35 -15.058 12.025 -18.981 1.00 0.00 C ATOM 565 CD GLN A 35 -14.052 11.342 -18.076 1.00 0.00 C ATOM 566 OE1 GLN A 35 -12.860 11.282 -18.377 1.00 0.00 O ATOM 567 NE2 GLN A 35 -14.527 10.841 -16.953 1.00 0.00 N ATOM 0 H GLN A 35 -16.052 14.330 -18.239 1.00 0.00 H new ATOM 0 HA GLN A 35 -13.300 14.041 -18.148 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -15.192 13.530 -20.483 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -13.595 12.832 -20.303 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -15.895 12.383 -18.381 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -15.459 11.296 -19.685 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -15.523 10.913 -16.743 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -13.899 10.381 -16.294 1.00 0.00 H new ATOM 576 N ALA A 36 -14.339 16.082 -20.532 1.00 0.00 N ATOM 577 CA ALA A 36 -13.946 17.147 -21.451 1.00 0.00 C ATOM 578 C ALA A 36 -13.179 18.248 -20.726 1.00 0.00 C ATOM 579 O ALA A 36 -12.166 18.740 -21.219 1.00 0.00 O ATOM 580 CB ALA A 36 -15.171 17.720 -22.145 1.00 0.00 C ATOM 0 H ALA A 36 -15.338 15.877 -20.537 1.00 0.00 H new ATOM 0 HA ALA A 36 -13.283 16.718 -22.202 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -14.865 18.513 -22.827 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -15.673 16.932 -22.706 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -15.855 18.127 -21.400 1.00 0.00 H new ATOM 586 N PHE A 37 -13.654 18.619 -19.546 1.00 0.00 N ATOM 587 CA PHE A 37 -12.988 19.640 -18.753 1.00 0.00 C ATOM 588 C PHE A 37 -11.647 19.130 -18.234 1.00 0.00 C ATOM 589 O PHE A 37 -10.640 19.846 -18.272 1.00 0.00 O ATOM 590 CB PHE A 37 -13.866 20.075 -17.582 1.00 0.00 C ATOM 591 CG PHE A 37 -13.196 21.072 -16.684 1.00 0.00 C ATOM 592 CD1 PHE A 37 -12.920 22.350 -17.136 1.00 0.00 C ATOM 593 CD2 PHE A 37 -12.837 20.728 -15.391 1.00 0.00 C ATOM 594 CE1 PHE A 37 -12.296 23.269 -16.317 1.00 0.00 C ATOM 595 CE2 PHE A 37 -12.215 21.643 -14.566 1.00 0.00 C ATOM 596 CZ PHE A 37 -11.943 22.916 -15.030 1.00 0.00 C ATOM 0 H PHE A 37 -14.494 18.230 -19.119 1.00 0.00 H new ATOM 0 HA PHE A 37 -12.811 20.501 -19.397 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -14.790 20.506 -17.968 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -14.144 19.198 -16.998 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -13.196 22.632 -18.141 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -13.046 19.734 -15.025 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -12.084 24.263 -16.682 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -11.941 21.365 -13.559 1.00 0.00 H new ATOM 0 HZ PHE A 37 -11.455 23.633 -14.387 1.00 0.00 H new ATOM 606 N LEU A 38 -11.639 17.893 -17.754 1.00 0.00 N ATOM 607 CA LEU A 38 -10.433 17.290 -17.206 1.00 0.00 C ATOM 608 C LEU A 38 -9.332 17.202 -18.250 1.00 0.00 C ATOM 609 O LEU A 38 -8.187 17.535 -17.974 1.00 0.00 O ATOM 610 CB LEU A 38 -10.729 15.901 -16.638 1.00 0.00 C ATOM 611 CG LEU A 38 -10.876 15.841 -15.116 1.00 0.00 C ATOM 612 CD1 LEU A 38 -9.594 16.304 -14.444 1.00 0.00 C ATOM 613 CD2 LEU A 38 -12.050 16.687 -14.647 1.00 0.00 C ATOM 0 H LEU A 38 -12.459 17.286 -17.734 1.00 0.00 H new ATOM 0 HA LEU A 38 -10.085 17.934 -16.398 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -11.647 15.528 -17.091 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -9.928 15.225 -16.937 1.00 0.00 H new ATOM 0 HG LEU A 38 -11.069 14.806 -14.835 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -9.713 16.256 -13.362 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -8.770 15.658 -14.748 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -9.378 17.331 -14.740 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -12.132 16.626 -13.562 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -11.892 17.724 -14.942 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -12.969 16.317 -15.101 1.00 0.00 H new ATOM 625 N LYS A 39 -9.682 16.770 -19.453 1.00 0.00 N ATOM 626 CA LYS A 39 -8.695 16.646 -20.524 1.00 0.00 C ATOM 627 C LYS A 39 -8.254 18.025 -21.007 1.00 0.00 C ATOM 628 O LYS A 39 -7.157 18.191 -21.531 1.00 0.00 O ATOM 629 CB LYS A 39 -9.246 15.844 -21.708 1.00 0.00 C ATOM 630 CG LYS A 39 -10.432 16.499 -22.398 1.00 0.00 C ATOM 631 CD LYS A 39 -10.497 16.136 -23.871 1.00 0.00 C ATOM 632 CE LYS A 39 -9.316 16.716 -24.639 1.00 0.00 C ATOM 633 NZ LYS A 39 -9.309 18.206 -24.615 1.00 0.00 N ATOM 0 H LYS A 39 -10.631 16.501 -19.714 1.00 0.00 H new ATOM 0 HA LYS A 39 -7.838 16.112 -20.114 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -8.449 15.698 -22.437 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -9.543 14.855 -21.358 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -11.355 16.191 -21.906 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -10.361 17.582 -22.293 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -10.507 15.052 -23.980 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -11.429 16.507 -24.298 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -8.386 16.343 -24.210 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -9.351 16.371 -25.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -8.657 18.562 -25.343 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -10.268 18.561 -24.806 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -8.998 18.537 -23.679 1.00 0.00 H new ATOM 647 N GLU A 40 -9.121 19.011 -20.838 1.00 0.00 N ATOM 648 CA GLU A 40 -8.831 20.361 -21.280 1.00 0.00 C ATOM 649 C GLU A 40 -7.814 21.020 -20.357 1.00 0.00 C ATOM 650 O GLU A 40 -6.865 21.655 -20.812 1.00 0.00 O ATOM 651 CB GLU A 40 -10.117 21.182 -21.308 1.00 0.00 C ATOM 652 CG GLU A 40 -10.088 22.312 -22.318 1.00 0.00 C ATOM 653 CD GLU A 40 -9.742 21.830 -23.712 1.00 0.00 C ATOM 654 OE1 GLU A 40 -10.442 20.938 -24.233 1.00 0.00 O ATOM 655 OE2 GLU A 40 -8.754 22.334 -24.289 1.00 0.00 O ATOM 0 H GLU A 40 -10.033 18.898 -20.396 1.00 0.00 H new ATOM 0 HA GLU A 40 -8.409 20.317 -22.284 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -10.955 20.523 -21.535 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -10.297 21.596 -20.316 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -11.061 22.804 -22.337 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -9.359 23.059 -22.003 1.00 0.00 H new ATOM 662 N ASN A 41 -8.013 20.849 -19.061 1.00 0.00 N ATOM 663 CA ASN A 41 -7.165 21.496 -18.066 1.00 0.00 C ATOM 664 C ASN A 41 -6.331 20.480 -17.298 1.00 0.00 C ATOM 665 O ASN A 41 -5.949 20.722 -16.154 1.00 0.00 O ATOM 666 CB ASN A 41 -8.021 22.307 -17.089 1.00 0.00 C ATOM 667 CG ASN A 41 -8.535 23.601 -17.693 1.00 0.00 C ATOM 668 OD1 ASN A 41 -7.882 24.638 -17.614 1.00 0.00 O ATOM 669 ND2 ASN A 41 -9.717 23.553 -18.290 1.00 0.00 N ATOM 0 H ASN A 41 -8.754 20.268 -18.670 1.00 0.00 H new ATOM 0 HA ASN A 41 -6.485 22.164 -18.595 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -8.867 21.701 -16.765 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -7.433 22.535 -16.200 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -10.114 24.397 -18.704 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -10.230 22.673 -18.336 1.00 0.00 H new ATOM 676 N GLU A 42 -6.010 19.364 -17.946 1.00 0.00 N ATOM 677 CA GLU A 42 -5.269 18.279 -17.294 1.00 0.00 C ATOM 678 C GLU A 42 -3.870 18.726 -16.893 1.00 0.00 C ATOM 679 O GLU A 42 -3.254 18.153 -15.995 1.00 0.00 O ATOM 680 CB GLU A 42 -5.187 17.051 -18.208 1.00 0.00 C ATOM 681 CG GLU A 42 -4.473 17.306 -19.525 1.00 0.00 C ATOM 682 CD GLU A 42 -4.398 16.068 -20.394 1.00 0.00 C ATOM 683 OE1 GLU A 42 -3.598 15.163 -20.080 1.00 0.00 O ATOM 684 OE2 GLU A 42 -5.134 15.997 -21.401 1.00 0.00 O ATOM 0 H GLU A 42 -6.249 19.184 -18.921 1.00 0.00 H new ATOM 0 HA GLU A 42 -5.813 18.009 -16.389 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -4.673 16.250 -17.677 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -6.197 16.698 -18.417 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -4.991 18.096 -20.068 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -3.464 17.666 -19.324 1.00 0.00 H new ATOM 691 N GLU A 43 -3.378 19.760 -17.556 1.00 0.00 N ATOM 692 CA GLU A 43 -2.060 20.298 -17.271 1.00 0.00 C ATOM 693 C GLU A 43 -2.079 21.102 -15.974 1.00 0.00 C ATOM 694 O GLU A 43 -1.066 21.224 -15.290 1.00 0.00 O ATOM 695 CB GLU A 43 -1.599 21.182 -18.432 1.00 0.00 C ATOM 696 CG GLU A 43 -0.145 21.613 -18.344 1.00 0.00 C ATOM 697 CD GLU A 43 0.809 20.438 -18.335 1.00 0.00 C ATOM 698 OE1 GLU A 43 0.941 19.766 -19.379 1.00 0.00 O ATOM 699 OE2 GLU A 43 1.442 20.187 -17.291 1.00 0.00 O ATOM 0 H GLU A 43 -3.877 20.246 -18.301 1.00 0.00 H new ATOM 0 HA GLU A 43 -1.361 19.470 -17.152 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -1.751 20.643 -19.367 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -2.229 22.071 -18.470 1.00 0.00 H new ATOM 0 HG2 GLU A 43 0.090 22.261 -19.188 1.00 0.00 H new ATOM 0 HG3 GLU A 43 0.002 22.203 -17.439 1.00 0.00 H new ATOM 706 N VAL A 44 -3.246 21.628 -15.631 1.00 0.00 N ATOM 707 CA VAL A 44 -3.371 22.520 -14.487 1.00 0.00 C ATOM 708 C VAL A 44 -3.937 21.782 -13.278 1.00 0.00 C ATOM 709 O VAL A 44 -3.472 21.957 -12.152 1.00 0.00 O ATOM 710 CB VAL A 44 -4.282 23.725 -14.813 1.00 0.00 C ATOM 711 CG1 VAL A 44 -4.272 24.730 -13.670 1.00 0.00 C ATOM 712 CG2 VAL A 44 -3.855 24.383 -16.119 1.00 0.00 C ATOM 0 H VAL A 44 -4.119 21.453 -16.128 1.00 0.00 H new ATOM 0 HA VAL A 44 -2.370 22.882 -14.253 1.00 0.00 H new ATOM 0 HB VAL A 44 -5.302 23.361 -14.935 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -4.919 25.571 -13.919 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -4.634 24.250 -12.761 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -3.255 25.090 -13.511 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -4.509 25.229 -16.331 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -2.826 24.732 -16.031 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -3.924 23.659 -16.931 1.00 0.00 H new ATOM 722 N ILE A 45 -4.941 20.953 -13.524 1.00 0.00 N ATOM 723 CA ILE A 45 -5.643 20.252 -12.457 1.00 0.00 C ATOM 724 C ILE A 45 -4.844 19.055 -11.943 1.00 0.00 C ATOM 725 O ILE A 45 -4.189 18.350 -12.712 1.00 0.00 O ATOM 726 CB ILE A 45 -7.021 19.759 -12.941 1.00 0.00 C ATOM 727 CG1 ILE A 45 -7.836 20.924 -13.498 1.00 0.00 C ATOM 728 CG2 ILE A 45 -7.779 19.081 -11.809 1.00 0.00 C ATOM 729 CD1 ILE A 45 -9.135 20.491 -14.136 1.00 0.00 C ATOM 0 H ILE A 45 -5.290 20.748 -14.460 1.00 0.00 H new ATOM 0 HA ILE A 45 -5.770 20.965 -11.643 1.00 0.00 H new ATOM 0 HB ILE A 45 -6.863 19.029 -13.735 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -8.051 21.626 -12.693 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -7.237 21.458 -14.235 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -8.749 18.741 -12.173 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -7.207 18.226 -11.448 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -7.926 19.789 -10.994 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -9.666 21.366 -14.511 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -8.926 19.812 -14.962 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -9.752 19.982 -13.395 1.00 0.00 H new ATOM 741 N ASP A 46 -4.914 18.837 -10.638 1.00 0.00 N ATOM 742 CA ASP A 46 -4.270 17.691 -10.004 1.00 0.00 C ATOM 743 C ASP A 46 -5.325 16.807 -9.346 1.00 0.00 C ATOM 744 O ASP A 46 -6.466 17.227 -9.162 1.00 0.00 O ATOM 745 CB ASP A 46 -3.252 18.154 -8.952 1.00 0.00 C ATOM 746 CG ASP A 46 -2.559 17.009 -8.237 1.00 0.00 C ATOM 747 OD1 ASP A 46 -1.659 16.382 -8.833 1.00 0.00 O ATOM 748 OD2 ASP A 46 -2.926 16.721 -7.078 1.00 0.00 O ATOM 0 H ASP A 46 -5.415 19.444 -9.990 1.00 0.00 H new ATOM 0 HA ASP A 46 -3.743 17.122 -10.769 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -2.500 18.779 -9.435 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -3.760 18.778 -8.216 1.00 0.00 H new ATOM 753 N GLN A 47 -4.931 15.595 -8.990 1.00 0.00 N ATOM 754 CA GLN A 47 -5.806 14.654 -8.303 1.00 0.00 C ATOM 755 C GLN A 47 -6.380 15.245 -7.015 1.00 0.00 C ATOM 756 O GLN A 47 -7.573 15.116 -6.744 1.00 0.00 O ATOM 757 CB GLN A 47 -5.026 13.385 -7.993 1.00 0.00 C ATOM 758 CG GLN A 47 -4.840 12.487 -9.204 1.00 0.00 C ATOM 759 CD GLN A 47 -3.966 11.283 -8.915 1.00 0.00 C ATOM 760 OE1 GLN A 47 -4.450 10.240 -8.473 1.00 0.00 O ATOM 761 NE2 GLN A 47 -2.674 11.414 -9.175 1.00 0.00 N ATOM 0 H GLN A 47 -3.994 15.234 -9.169 1.00 0.00 H new ATOM 0 HA GLN A 47 -6.647 14.428 -8.958 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -4.048 13.655 -7.595 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -5.545 12.829 -7.212 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -5.816 12.147 -9.551 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -4.397 13.065 -10.015 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -2.314 12.296 -9.540 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -2.039 10.633 -9.010 1.00 0.00 H new ATOM 770 N LYS A 48 -5.532 15.906 -6.230 1.00 0.00 N ATOM 771 CA LYS A 48 -5.977 16.523 -4.984 1.00 0.00 C ATOM 772 C LYS A 48 -6.942 17.665 -5.264 1.00 0.00 C ATOM 773 O LYS A 48 -7.903 17.878 -4.529 1.00 0.00 O ATOM 774 CB LYS A 48 -4.789 17.040 -4.176 1.00 0.00 C ATOM 775 CG LYS A 48 -3.938 15.942 -3.556 1.00 0.00 C ATOM 776 CD LYS A 48 -2.871 16.518 -2.638 1.00 0.00 C ATOM 777 CE LYS A 48 -3.491 17.252 -1.458 1.00 0.00 C ATOM 778 NZ LYS A 48 -2.463 17.873 -0.585 1.00 0.00 N ATOM 0 H LYS A 48 -4.540 16.027 -6.433 1.00 0.00 H new ATOM 0 HA LYS A 48 -6.491 15.759 -4.401 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -4.160 17.651 -4.824 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -5.158 17.691 -3.383 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -4.575 15.260 -2.993 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -3.464 15.357 -4.345 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -2.231 15.715 -2.273 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -2.235 17.202 -3.201 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -4.168 18.023 -1.826 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -4.091 16.555 -0.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -2.929 18.362 0.206 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -1.832 17.135 -0.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -1.907 18.557 -1.136 1.00 0.00 H new ATOM 792 N MET A 49 -6.667 18.389 -6.339 1.00 0.00 N ATOM 793 CA MET A 49 -7.520 19.480 -6.780 1.00 0.00 C ATOM 794 C MET A 49 -8.920 18.961 -7.092 1.00 0.00 C ATOM 795 O MET A 49 -9.916 19.641 -6.844 1.00 0.00 O ATOM 796 CB MET A 49 -6.917 20.129 -8.023 1.00 0.00 C ATOM 797 CG MET A 49 -7.504 21.482 -8.363 1.00 0.00 C ATOM 798 SD MET A 49 -6.687 22.234 -9.782 1.00 0.00 S ATOM 799 CE MET A 49 -7.532 23.809 -9.869 1.00 0.00 C ATOM 0 H MET A 49 -5.848 18.236 -6.928 1.00 0.00 H new ATOM 0 HA MET A 49 -7.591 20.221 -5.984 1.00 0.00 H new ATOM 0 HB2 MET A 49 -5.842 20.238 -7.877 1.00 0.00 H new ATOM 0 HB3 MET A 49 -7.057 19.461 -8.873 1.00 0.00 H new ATOM 0 HG2 MET A 49 -8.568 21.373 -8.573 1.00 0.00 H new ATOM 0 HG3 MET A 49 -7.415 22.143 -7.501 1.00 0.00 H new ATOM 0 HE1 MET A 49 -6.829 24.582 -10.179 1.00 0.00 H new ATOM 0 HE2 MET A 49 -8.345 23.746 -10.592 1.00 0.00 H new ATOM 0 HE3 MET A 49 -7.937 24.059 -8.889 1.00 0.00 H new ATOM 809 N ILE A 50 -8.978 17.748 -7.633 1.00 0.00 N ATOM 810 CA ILE A 50 -10.244 17.091 -7.926 1.00 0.00 C ATOM 811 C ILE A 50 -11.018 16.808 -6.643 1.00 0.00 C ATOM 812 O ILE A 50 -12.161 17.222 -6.511 1.00 0.00 O ATOM 813 CB ILE A 50 -10.024 15.769 -8.699 1.00 0.00 C ATOM 814 CG1 ILE A 50 -9.410 16.049 -10.071 1.00 0.00 C ATOM 815 CG2 ILE A 50 -11.330 14.999 -8.852 1.00 0.00 C ATOM 816 CD1 ILE A 50 -10.317 16.840 -10.986 1.00 0.00 C ATOM 0 H ILE A 50 -8.155 17.198 -7.878 1.00 0.00 H new ATOM 0 HA ILE A 50 -10.825 17.769 -8.551 1.00 0.00 H new ATOM 0 HB ILE A 50 -9.333 15.154 -8.123 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -8.476 16.594 -9.938 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -9.161 15.102 -10.549 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -11.145 14.074 -9.399 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -11.731 14.763 -7.866 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -12.049 15.608 -9.400 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -9.818 17.002 -11.941 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -11.242 16.287 -11.149 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -10.546 17.802 -10.528 1.00 0.00 H new ATOM 828 N GLU A 51 -10.380 16.119 -5.700 1.00 0.00 N ATOM 829 CA GLU A 51 -10.993 15.806 -4.409 1.00 0.00 C ATOM 830 C GLU A 51 -11.426 17.081 -3.684 1.00 0.00 C ATOM 831 O GLU A 51 -12.513 17.145 -3.105 1.00 0.00 O ATOM 832 CB GLU A 51 -10.007 15.029 -3.527 1.00 0.00 C ATOM 833 CG GLU A 51 -9.531 13.706 -4.121 1.00 0.00 C ATOM 834 CD GLU A 51 -10.656 12.736 -4.434 1.00 0.00 C ATOM 835 OE1 GLU A 51 -11.272 12.862 -5.506 1.00 0.00 O ATOM 836 OE2 GLU A 51 -10.911 11.823 -3.615 1.00 0.00 O ATOM 0 H GLU A 51 -9.430 15.763 -5.806 1.00 0.00 H new ATOM 0 HA GLU A 51 -11.874 15.193 -4.598 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -9.139 15.659 -3.333 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -10.479 14.831 -2.564 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -8.973 13.909 -5.035 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -8.839 13.233 -3.424 1.00 0.00 H new ATOM 843 N LYS A 52 -10.570 18.096 -3.732 1.00 0.00 N ATOM 844 CA LYS A 52 -10.833 19.363 -3.058 1.00 0.00 C ATOM 845 C LYS A 52 -12.039 20.073 -3.673 1.00 0.00 C ATOM 846 O LYS A 52 -12.761 20.799 -2.990 1.00 0.00 O ATOM 847 CB LYS A 52 -9.594 20.263 -3.140 1.00 0.00 C ATOM 848 CG LYS A 52 -9.742 21.595 -2.420 1.00 0.00 C ATOM 849 CD LYS A 52 -10.010 21.408 -0.934 1.00 0.00 C ATOM 850 CE LYS A 52 -10.163 22.744 -0.227 1.00 0.00 C ATOM 851 NZ LYS A 52 -8.909 23.544 -0.270 1.00 0.00 N ATOM 0 H LYS A 52 -9.683 18.065 -4.234 1.00 0.00 H new ATOM 0 HA LYS A 52 -11.060 19.155 -2.012 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -8.742 19.728 -2.720 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -9.366 20.453 -4.189 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -8.834 22.183 -2.554 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -10.558 22.161 -2.868 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -10.915 20.816 -0.797 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -9.192 20.847 -0.483 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -10.970 23.310 -0.692 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -10.449 22.574 0.811 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -8.993 24.356 0.375 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -8.108 22.950 0.024 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -8.749 23.886 -1.239 1.00 0.00 H new ATOM 865 N SER A 53 -12.261 19.847 -4.958 1.00 0.00 N ATOM 866 CA SER A 53 -13.352 20.492 -5.675 1.00 0.00 C ATOM 867 C SER A 53 -14.382 19.457 -6.118 1.00 0.00 C ATOM 868 O SER A 53 -15.178 19.709 -7.025 1.00 0.00 O ATOM 869 CB SER A 53 -12.798 21.239 -6.889 1.00 0.00 C ATOM 870 OG SER A 53 -11.669 22.023 -6.532 1.00 0.00 O ATOM 0 H SER A 53 -11.697 19.218 -5.530 1.00 0.00 H new ATOM 0 HA SER A 53 -13.842 21.203 -5.010 1.00 0.00 H new ATOM 0 HB2 SER A 53 -12.519 20.525 -7.664 1.00 0.00 H new ATOM 0 HB3 SER A 53 -13.572 21.880 -7.310 1.00 0.00 H new ATOM 0 HG SER A 53 -10.867 21.460 -6.530 1.00 0.00 H new ATOM 876 N LEU A 54 -14.368 18.301 -5.459 1.00 0.00 N ATOM 877 CA LEU A 54 -15.258 17.199 -5.803 1.00 0.00 C ATOM 878 C LEU A 54 -16.704 17.647 -5.689 1.00 0.00 C ATOM 879 O LEU A 54 -17.525 17.380 -6.564 1.00 0.00 O ATOM 880 CB LEU A 54 -15.007 16.008 -4.871 1.00 0.00 C ATOM 881 CG LEU A 54 -15.040 14.622 -5.527 1.00 0.00 C ATOM 882 CD1 LEU A 54 -16.341 14.389 -6.269 1.00 0.00 C ATOM 883 CD2 LEU A 54 -13.860 14.444 -6.466 1.00 0.00 C ATOM 0 H LEU A 54 -13.743 18.104 -4.677 1.00 0.00 H new ATOM 0 HA LEU A 54 -15.059 16.893 -6.830 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -14.034 16.141 -4.398 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -15.753 16.030 -4.077 1.00 0.00 H new ATOM 0 HG LEU A 54 -14.970 13.881 -4.731 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -16.329 13.397 -6.721 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -17.175 14.460 -5.571 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -16.455 15.142 -7.049 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -13.903 13.454 -6.921 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -13.898 15.204 -7.247 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -12.931 14.546 -5.906 1.00 0.00 H new ATOM 895 N ASN A 55 -16.999 18.348 -4.603 1.00 0.00 N ATOM 896 CA ASN A 55 -18.336 18.880 -4.372 1.00 0.00 C ATOM 897 C ASN A 55 -18.733 19.848 -5.483 1.00 0.00 C ATOM 898 O ASN A 55 -19.894 19.908 -5.861 1.00 0.00 O ATOM 899 CB ASN A 55 -18.422 19.579 -3.008 1.00 0.00 C ATOM 900 CG ASN A 55 -17.581 20.840 -2.932 1.00 0.00 C ATOM 901 OD1 ASN A 55 -16.384 20.782 -2.662 1.00 0.00 O ATOM 902 ND2 ASN A 55 -18.206 21.988 -3.149 1.00 0.00 N ATOM 0 H ASN A 55 -16.328 18.562 -3.865 1.00 0.00 H new ATOM 0 HA ASN A 55 -19.032 18.041 -4.374 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -19.462 19.830 -2.800 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -18.099 18.887 -2.230 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -17.691 22.867 -3.094 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -19.202 21.993 -3.371 1.00 0.00 H new ATOM 909 N LYS A 56 -17.761 20.582 -6.020 1.00 0.00 N ATOM 910 CA LYS A 56 -18.028 21.534 -7.095 1.00 0.00 C ATOM 911 C LYS A 56 -18.297 20.810 -8.408 1.00 0.00 C ATOM 912 O LYS A 56 -19.211 21.166 -9.147 1.00 0.00 O ATOM 913 CB LYS A 56 -16.861 22.512 -7.261 1.00 0.00 C ATOM 914 CG LYS A 56 -16.688 23.463 -6.087 1.00 0.00 C ATOM 915 CD LYS A 56 -17.918 24.340 -5.887 1.00 0.00 C ATOM 916 CE LYS A 56 -18.126 25.300 -7.051 1.00 0.00 C ATOM 917 NZ LYS A 56 -19.351 26.124 -6.872 1.00 0.00 N ATOM 0 H LYS A 56 -16.784 20.536 -5.729 1.00 0.00 H new ATOM 0 HA LYS A 56 -18.919 22.101 -6.823 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -15.940 21.945 -7.397 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -17.013 23.095 -8.170 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -16.498 22.890 -5.179 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -15.815 24.093 -6.255 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -18.800 23.709 -5.775 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -17.813 24.908 -4.962 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -17.258 25.953 -7.144 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -18.200 24.735 -7.980 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -19.388 26.856 -7.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -20.192 25.516 -6.944 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -19.331 26.577 -5.936 1.00 0.00 H new ATOM 931 N LEU A 57 -17.505 19.787 -8.694 1.00 0.00 N ATOM 932 CA LEU A 57 -17.704 18.991 -9.898 1.00 0.00 C ATOM 933 C LEU A 57 -19.032 18.246 -9.821 1.00 0.00 C ATOM 934 O LEU A 57 -19.755 18.128 -10.812 1.00 0.00 O ATOM 935 CB LEU A 57 -16.554 18.001 -10.088 1.00 0.00 C ATOM 936 CG LEU A 57 -15.174 18.633 -10.289 1.00 0.00 C ATOM 937 CD1 LEU A 57 -14.134 17.557 -10.547 1.00 0.00 C ATOM 938 CD2 LEU A 57 -15.201 19.625 -11.440 1.00 0.00 C ATOM 0 H LEU A 57 -16.722 19.489 -8.112 1.00 0.00 H new ATOM 0 HA LEU A 57 -17.724 19.663 -10.756 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -16.512 17.346 -9.218 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -16.776 17.372 -10.950 1.00 0.00 H new ATOM 0 HG LEU A 57 -14.906 19.169 -9.379 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -13.158 18.021 -10.688 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -14.094 16.878 -9.695 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -14.403 16.998 -11.443 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -14.211 20.063 -11.566 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -15.490 19.111 -12.357 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -15.922 20.414 -11.224 1.00 0.00 H new ATOM 950 N TYR A 58 -19.352 17.761 -8.632 1.00 0.00 N ATOM 951 CA TYR A 58 -20.606 17.061 -8.407 1.00 0.00 C ATOM 952 C TYR A 58 -21.773 18.041 -8.473 1.00 0.00 C ATOM 953 O TYR A 58 -22.832 17.727 -9.013 1.00 0.00 O ATOM 954 CB TYR A 58 -20.583 16.356 -7.052 1.00 0.00 C ATOM 955 CG TYR A 58 -21.624 15.273 -6.931 1.00 0.00 C ATOM 956 CD1 TYR A 58 -21.472 14.072 -7.609 1.00 0.00 C ATOM 957 CD2 TYR A 58 -22.755 15.447 -6.147 1.00 0.00 C ATOM 958 CE1 TYR A 58 -22.415 13.074 -7.511 1.00 0.00 C ATOM 959 CE2 TYR A 58 -23.706 14.451 -6.041 1.00 0.00 C ATOM 960 CZ TYR A 58 -23.533 13.267 -6.725 1.00 0.00 C ATOM 961 OH TYR A 58 -24.482 12.279 -6.624 1.00 0.00 O ATOM 0 H TYR A 58 -18.759 17.840 -7.806 1.00 0.00 H new ATOM 0 HA TYR A 58 -20.734 16.311 -9.187 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -19.596 15.922 -6.892 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -20.740 17.092 -6.264 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -20.598 13.917 -8.225 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -22.894 16.375 -5.612 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -22.281 12.145 -8.046 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -24.581 14.599 -5.425 1.00 0.00 H new ATOM 0 HH TYR A 58 -25.203 12.577 -6.031 1.00 0.00 H new ATOM 971 N GLU A 59 -21.555 19.227 -7.921 1.00 0.00 N ATOM 972 CA GLU A 59 -22.526 20.311 -7.979 1.00 0.00 C ATOM 973 C GLU A 59 -22.863 20.633 -9.432 1.00 0.00 C ATOM 974 O GLU A 59 -24.013 20.890 -9.776 1.00 0.00 O ATOM 975 CB GLU A 59 -21.942 21.542 -7.279 1.00 0.00 C ATOM 976 CG GLU A 59 -22.879 22.731 -7.184 1.00 0.00 C ATOM 977 CD GLU A 59 -22.225 23.906 -6.485 1.00 0.00 C ATOM 978 OE1 GLU A 59 -22.242 23.945 -5.237 1.00 0.00 O ATOM 979 OE2 GLU A 59 -21.675 24.792 -7.177 1.00 0.00 O ATOM 0 H GLU A 59 -20.699 19.465 -7.420 1.00 0.00 H new ATOM 0 HA GLU A 59 -23.444 20.011 -7.474 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -21.637 21.258 -6.272 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -21.041 21.850 -7.810 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -23.190 23.030 -8.185 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -23.780 22.442 -6.643 1.00 0.00 H new ATOM 986 N TYR A 60 -21.846 20.606 -10.277 1.00 0.00 N ATOM 987 CA TYR A 60 -22.016 20.841 -11.702 1.00 0.00 C ATOM 988 C TYR A 60 -22.968 19.824 -12.328 1.00 0.00 C ATOM 989 O TYR A 60 -23.932 20.197 -12.993 1.00 0.00 O ATOM 990 CB TYR A 60 -20.656 20.784 -12.402 1.00 0.00 C ATOM 991 CG TYR A 60 -20.736 20.772 -13.912 1.00 0.00 C ATOM 992 CD1 TYR A 60 -21.052 21.921 -14.621 1.00 0.00 C ATOM 993 CD2 TYR A 60 -20.492 19.604 -14.627 1.00 0.00 C ATOM 994 CE1 TYR A 60 -21.124 21.908 -16.000 1.00 0.00 C ATOM 995 CE2 TYR A 60 -20.561 19.585 -16.004 1.00 0.00 C ATOM 996 CZ TYR A 60 -20.878 20.738 -16.687 1.00 0.00 C ATOM 997 OH TYR A 60 -20.946 20.720 -18.061 1.00 0.00 O ATOM 0 H TYR A 60 -20.883 20.421 -9.997 1.00 0.00 H new ATOM 0 HA TYR A 60 -22.453 21.831 -11.831 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -20.062 21.642 -12.088 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -20.126 19.891 -12.070 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -21.245 22.840 -14.087 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -20.244 18.697 -14.095 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -21.372 22.811 -16.538 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -20.367 18.670 -16.544 1.00 0.00 H new ATOM 0 HH TYR A 60 -20.702 21.602 -18.412 1.00 0.00 H new ATOM 1007 N ILE A 61 -22.698 18.546 -12.101 1.00 0.00 N ATOM 1008 CA ILE A 61 -23.466 17.484 -12.738 1.00 0.00 C ATOM 1009 C ILE A 61 -24.859 17.321 -12.125 1.00 0.00 C ATOM 1010 O ILE A 61 -25.783 16.878 -12.806 1.00 0.00 O ATOM 1011 CB ILE A 61 -22.721 16.130 -12.725 1.00 0.00 C ATOM 1012 CG1 ILE A 61 -22.362 15.707 -11.300 1.00 0.00 C ATOM 1013 CG2 ILE A 61 -21.468 16.220 -13.587 1.00 0.00 C ATOM 1014 CD1 ILE A 61 -21.701 14.348 -11.213 1.00 0.00 C ATOM 0 H ILE A 61 -21.955 18.220 -11.483 1.00 0.00 H new ATOM 0 HA ILE A 61 -23.587 17.795 -13.776 1.00 0.00 H new ATOM 0 HB ILE A 61 -23.385 15.370 -13.138 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -21.696 16.453 -10.867 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -23.268 15.699 -10.694 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -20.948 15.262 -13.574 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -21.748 16.466 -14.611 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -20.811 16.996 -13.194 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -21.477 14.118 -10.171 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -22.373 13.590 -11.615 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -20.776 14.356 -11.790 1.00 0.00 H new ATOM 1026 N GLU A 62 -25.015 17.646 -10.842 1.00 0.00 N ATOM 1027 CA GLU A 62 -26.327 17.549 -10.205 1.00 0.00 C ATOM 1028 C GLU A 62 -27.228 18.706 -10.638 1.00 0.00 C ATOM 1029 O GLU A 62 -28.454 18.625 -10.523 1.00 0.00 O ATOM 1030 CB GLU A 62 -26.218 17.518 -8.679 1.00 0.00 C ATOM 1031 CG GLU A 62 -25.695 18.803 -8.070 1.00 0.00 C ATOM 1032 CD GLU A 62 -25.937 18.865 -6.581 1.00 0.00 C ATOM 1033 OE1 GLU A 62 -25.111 18.342 -5.814 1.00 0.00 O ATOM 1034 OE2 GLU A 62 -26.976 19.425 -6.170 1.00 0.00 O ATOM 0 H GLU A 62 -24.265 17.973 -10.233 1.00 0.00 H new ATOM 0 HA GLU A 62 -26.772 16.609 -10.531 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -27.201 17.303 -8.260 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -25.562 16.698 -8.389 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -24.626 18.888 -8.267 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -26.177 19.654 -8.551 1.00 0.00 H new ATOM 1041 N GLN A 63 -26.616 19.784 -11.121 1.00 0.00 N ATOM 1042 CA GLN A 63 -27.368 20.904 -11.677 1.00 0.00 C ATOM 1043 C GLN A 63 -27.924 20.539 -13.054 1.00 0.00 C ATOM 1044 O GLN A 63 -27.945 19.370 -13.438 1.00 0.00 O ATOM 1045 CB GLN A 63 -26.491 22.159 -11.763 1.00 0.00 C ATOM 1046 CG GLN A 63 -26.214 22.801 -10.413 1.00 0.00 C ATOM 1047 CD GLN A 63 -25.321 24.019 -10.520 1.00 0.00 C ATOM 1048 OE1 GLN A 63 -25.793 25.145 -10.677 1.00 0.00 O ATOM 1049 NE2 GLN A 63 -24.020 23.800 -10.429 1.00 0.00 N ATOM 0 H GLN A 63 -25.603 19.905 -11.138 1.00 0.00 H new ATOM 0 HA GLN A 63 -28.204 21.121 -11.012 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -25.543 21.898 -12.233 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -26.978 22.889 -12.410 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -27.158 23.087 -9.950 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -25.746 22.068 -9.756 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -23.671 22.851 -10.299 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -23.366 24.580 -10.489 1.00 0.00 H new ATOM 1058 N SER A 64 -28.398 21.532 -13.784 1.00 0.00 N ATOM 1059 CA SER A 64 -29.004 21.293 -15.080 1.00 0.00 C ATOM 1060 C SER A 64 -27.950 21.199 -16.171 1.00 0.00 C ATOM 1061 O SER A 64 -27.076 22.059 -16.281 1.00 0.00 O ATOM 1062 CB SER A 64 -29.993 22.409 -15.410 1.00 0.00 C ATOM 1063 OG SER A 64 -30.749 22.113 -16.572 1.00 0.00 O ATOM 0 H SER A 64 -28.375 22.512 -13.501 1.00 0.00 H new ATOM 0 HA SER A 64 -29.533 20.341 -15.034 1.00 0.00 H new ATOM 0 HB2 SER A 64 -30.666 22.560 -14.566 1.00 0.00 H new ATOM 0 HB3 SER A 64 -29.452 23.344 -15.556 1.00 0.00 H new ATOM 0 HG SER A 64 -30.660 22.847 -17.216 1.00 0.00 H new ATOM 1069 N LYS A 65 -28.041 20.147 -16.970 1.00 0.00 N ATOM 1070 CA LYS A 65 -27.193 19.989 -18.139 1.00 0.00 C ATOM 1071 C LYS A 65 -27.639 20.961 -19.230 1.00 0.00 C ATOM 1072 O LYS A 65 -26.851 21.383 -20.079 1.00 0.00 O ATOM 1073 CB LYS A 65 -27.268 18.546 -18.655 1.00 0.00 C ATOM 1074 CG LYS A 65 -26.534 18.336 -19.967 1.00 0.00 C ATOM 1075 CD LYS A 65 -26.762 16.944 -20.522 1.00 0.00 C ATOM 1076 CE LYS A 65 -26.311 16.855 -21.971 1.00 0.00 C ATOM 1077 NZ LYS A 65 -27.062 17.803 -22.842 1.00 0.00 N ATOM 0 H LYS A 65 -28.701 19.383 -16.827 1.00 0.00 H new ATOM 0 HA LYS A 65 -26.161 20.207 -17.865 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -26.851 17.877 -17.903 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -28.314 18.268 -18.784 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -26.869 19.076 -20.693 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -25.467 18.497 -19.816 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -26.216 16.216 -19.922 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -27.819 16.688 -20.450 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -25.244 17.070 -22.034 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -26.453 15.837 -22.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -27.427 17.296 -23.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -27.856 18.210 -22.308 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -26.427 18.566 -23.153 1.00 0.00 H new ATOM 1091 N ASN A 66 -28.915 21.321 -19.191 1.00 0.00 N ATOM 1092 CA ASN A 66 -29.498 22.195 -20.200 1.00 0.00 C ATOM 1093 C ASN A 66 -30.096 23.421 -19.529 1.00 0.00 C ATOM 1094 O ASN A 66 -29.739 23.758 -18.405 1.00 0.00 O ATOM 1095 CB ASN A 66 -30.591 21.459 -20.993 1.00 0.00 C ATOM 1096 CG ASN A 66 -30.083 20.227 -21.717 1.00 0.00 C ATOM 1097 OD1 ASN A 66 -28.911 20.142 -22.090 1.00 0.00 O ATOM 1098 ND2 ASN A 66 -30.968 19.269 -21.941 1.00 0.00 N ATOM 0 H ASN A 66 -29.568 21.020 -18.468 1.00 0.00 H new ATOM 0 HA ASN A 66 -28.712 22.499 -20.891 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -31.390 21.167 -20.311 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -31.027 22.145 -21.720 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -30.689 18.423 -22.438 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -31.929 19.376 -21.616 1.00 0.00 H new ATOM 1105 N CYS A 67 -30.997 24.098 -20.218 1.00 0.00 N ATOM 1106 CA CYS A 67 -31.684 25.235 -19.634 1.00 0.00 C ATOM 1107 C CYS A 67 -33.040 25.381 -20.294 1.00 0.00 C ATOM 1108 O CYS A 67 -33.243 24.879 -21.397 1.00 0.00 O ATOM 1109 CB CYS A 67 -30.882 26.531 -19.792 1.00 0.00 C ATOM 1110 SG CYS A 67 -31.038 27.330 -21.424 1.00 0.00 S ATOM 0 H CYS A 67 -31.269 23.882 -21.177 1.00 0.00 H new ATOM 0 HA CYS A 67 -31.800 25.055 -18.565 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -31.203 27.236 -19.025 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -29.830 26.316 -19.607 1.00 0.00 H new ATOM 0 HG CYS A 67 -31.284 26.428 -22.327 1.00 0.00 H new ATOM 1115 N SER A 68 -33.937 26.097 -19.644 1.00 0.00 N ATOM 1116 CA SER A 68 -35.320 26.217 -20.112 1.00 0.00 C ATOM 1117 C SER A 68 -35.382 26.842 -21.509 1.00 0.00 C ATOM 1118 O SER A 68 -36.264 26.533 -22.300 1.00 0.00 O ATOM 1119 CB SER A 68 -36.147 27.040 -19.117 1.00 0.00 C ATOM 1120 OG SER A 68 -37.487 27.183 -19.553 1.00 0.00 O ATOM 0 H SER A 68 -33.739 26.610 -18.785 1.00 0.00 H new ATOM 0 HA SER A 68 -35.743 25.215 -20.177 1.00 0.00 H new ATOM 0 HB2 SER A 68 -36.130 26.557 -18.140 1.00 0.00 H new ATOM 0 HB3 SER A 68 -35.696 28.025 -18.993 1.00 0.00 H new ATOM 0 HG SER A 68 -37.990 27.711 -18.898 1.00 0.00 H new ATOM 1126 N TYR A 69 -34.408 27.685 -21.826 1.00 0.00 N ATOM 1127 CA TYR A 69 -34.380 28.375 -23.114 1.00 0.00 C ATOM 1128 C TYR A 69 -34.024 27.423 -24.255 1.00 0.00 C ATOM 1129 O TYR A 69 -33.946 27.824 -25.413 1.00 0.00 O ATOM 1130 CB TYR A 69 -33.368 29.505 -23.060 1.00 0.00 C ATOM 1131 CG TYR A 69 -33.800 30.733 -23.826 1.00 0.00 C ATOM 1132 CD1 TYR A 69 -34.649 31.668 -23.247 1.00 0.00 C ATOM 1133 CD2 TYR A 69 -33.370 30.953 -25.127 1.00 0.00 C ATOM 1134 CE1 TYR A 69 -35.056 32.789 -23.945 1.00 0.00 C ATOM 1135 CE2 TYR A 69 -33.775 32.073 -25.832 1.00 0.00 C ATOM 1136 CZ TYR A 69 -34.618 32.987 -25.236 1.00 0.00 C ATOM 1137 OH TYR A 69 -35.030 34.101 -25.935 1.00 0.00 O ATOM 0 H TYR A 69 -33.626 27.909 -21.211 1.00 0.00 H new ATOM 0 HA TYR A 69 -35.377 28.772 -23.307 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -33.194 29.778 -22.019 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -32.418 29.152 -23.460 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -34.996 31.516 -22.236 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -32.709 30.239 -25.597 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -35.715 33.507 -23.480 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -33.432 32.230 -26.844 1.00 0.00 H new ATOM 0 HH TYR A 69 -34.631 34.092 -26.830 1.00 0.00 H new ATOM 1147 N CYS A 70 -33.765 26.176 -23.915 1.00 0.00 N ATOM 1148 CA CYS A 70 -33.506 25.155 -24.923 1.00 0.00 C ATOM 1149 C CYS A 70 -34.248 23.866 -24.584 1.00 0.00 C ATOM 1150 O CYS A 70 -34.070 22.846 -25.243 1.00 0.00 O ATOM 1151 CB CYS A 70 -32.008 24.876 -25.057 1.00 0.00 C ATOM 1152 SG CYS A 70 -31.210 24.269 -23.537 1.00 0.00 S ATOM 0 H CYS A 70 -33.727 25.841 -22.952 1.00 0.00 H new ATOM 0 HA CYS A 70 -33.871 25.533 -25.878 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -31.858 24.142 -25.848 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -31.508 25.792 -25.373 1.00 0.00 H new ATOM 0 HG CYS A 70 -31.926 24.608 -22.506 1.00 0.00 H new ATOM 1157 N SER A 71 -35.087 23.920 -23.560 1.00 0.00 N ATOM 1158 CA SER A 71 -35.793 22.742 -23.094 1.00 0.00 C ATOM 1159 C SER A 71 -37.179 23.119 -22.601 1.00 0.00 C ATOM 1160 O SER A 71 -37.324 23.902 -21.663 1.00 0.00 O ATOM 1161 CB SER A 71 -35.001 22.040 -21.984 1.00 0.00 C ATOM 1162 OG SER A 71 -35.717 20.934 -21.457 1.00 0.00 O ATOM 0 H SER A 71 -35.294 24.771 -23.037 1.00 0.00 H new ATOM 0 HA SER A 71 -35.897 22.049 -23.929 1.00 0.00 H new ATOM 0 HB2 SER A 71 -34.043 21.701 -22.377 1.00 0.00 H new ATOM 0 HB3 SER A 71 -34.785 22.749 -21.185 1.00 0.00 H new ATOM 0 HG SER A 71 -35.186 20.506 -20.753 1.00 0.00 H new ATOM 1168 N GLU A 72 -38.188 22.561 -23.252 1.00 0.00 N ATOM 1169 CA GLU A 72 -39.577 22.786 -22.867 1.00 0.00 C ATOM 1170 C GLU A 72 -39.950 21.876 -21.719 1.00 0.00 C ATOM 1171 O GLU A 72 -41.041 21.973 -21.160 1.00 0.00 O ATOM 1172 CB GLU A 72 -40.508 22.495 -24.040 1.00 0.00 C ATOM 1173 CG GLU A 72 -40.063 23.131 -25.332 1.00 0.00 C ATOM 1174 CD GLU A 72 -40.126 24.643 -25.295 1.00 0.00 C ATOM 1175 OE1 GLU A 72 -41.198 25.204 -25.602 1.00 0.00 O ATOM 1176 OE2 GLU A 72 -39.111 25.281 -24.951 1.00 0.00 O ATOM 0 H GLU A 72 -38.071 21.944 -24.056 1.00 0.00 H new ATOM 0 HA GLU A 72 -39.682 23.828 -22.566 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -40.577 21.416 -24.180 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -41.509 22.849 -23.796 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -39.042 22.820 -25.552 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -40.689 22.766 -26.146 1.00 0.00 H new ATOM 1183 N ASP A 73 -39.041 20.982 -21.380 1.00 0.00 N ATOM 1184 CA ASP A 73 -39.319 19.985 -20.376 1.00 0.00 C ATOM 1185 C ASP A 73 -39.171 20.589 -18.987 1.00 0.00 C ATOM 1186 O ASP A 73 -38.198 21.292 -18.712 1.00 0.00 O ATOM 1187 CB ASP A 73 -38.383 18.790 -20.537 1.00 0.00 C ATOM 1188 CG ASP A 73 -38.825 17.600 -19.715 1.00 0.00 C ATOM 1189 OD1 ASP A 73 -38.496 17.538 -18.514 1.00 0.00 O ATOM 1190 OD2 ASP A 73 -39.501 16.710 -20.275 1.00 0.00 O ATOM 0 H ASP A 73 -38.107 20.929 -21.787 1.00 0.00 H new ATOM 0 HA ASP A 73 -40.345 19.638 -20.502 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -38.338 18.506 -21.588 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -37.374 19.079 -20.241 1.00 0.00 H new ATOM 1195 N GLU A 74 -40.139 20.312 -18.125 1.00 0.00 N ATOM 1196 CA GLU A 74 -40.167 20.879 -16.778 1.00 0.00 C ATOM 1197 C GLU A 74 -38.993 20.414 -15.931 1.00 0.00 C ATOM 1198 O GLU A 74 -38.589 21.107 -14.995 1.00 0.00 O ATOM 1199 CB GLU A 74 -41.465 20.510 -16.069 1.00 0.00 C ATOM 1200 CG GLU A 74 -42.693 21.136 -16.691 1.00 0.00 C ATOM 1201 CD GLU A 74 -42.683 22.648 -16.610 1.00 0.00 C ATOM 1202 OE1 GLU A 74 -42.602 23.184 -15.483 1.00 0.00 O ATOM 1203 OE2 GLU A 74 -42.776 23.300 -17.669 1.00 0.00 O ATOM 0 H GLU A 74 -40.923 19.693 -18.334 1.00 0.00 H new ATOM 0 HA GLU A 74 -40.097 21.961 -16.894 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -41.577 19.426 -16.075 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -41.399 20.818 -15.025 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -42.761 20.833 -17.736 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -43.583 20.755 -16.190 1.00 0.00 H new ATOM 1210 N ASN A 75 -38.448 19.244 -16.235 1.00 0.00 N ATOM 1211 CA ASN A 75 -37.348 18.721 -15.446 1.00 0.00 C ATOM 1212 C ASN A 75 -36.037 19.352 -15.888 1.00 0.00 C ATOM 1213 O ASN A 75 -35.183 18.712 -16.504 1.00 0.00 O ATOM 1214 CB ASN A 75 -37.275 17.193 -15.515 1.00 0.00 C ATOM 1215 CG ASN A 75 -36.278 16.623 -14.520 1.00 0.00 C ATOM 1216 OD1 ASN A 75 -35.116 16.393 -14.848 1.00 0.00 O ATOM 1217 ND2 ASN A 75 -36.726 16.405 -13.293 1.00 0.00 N ATOM 0 H ASN A 75 -38.745 18.650 -17.009 1.00 0.00 H new ATOM 0 HA ASN A 75 -37.528 18.985 -14.404 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -38.262 16.774 -15.319 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -36.994 16.889 -16.523 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -36.099 16.033 -12.580 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -37.698 16.609 -13.061 1.00 0.00 H new ATOM 1224 N CYS A 76 -35.927 20.638 -15.628 1.00 0.00 N ATOM 1225 CA CYS A 76 -34.693 21.366 -15.836 1.00 0.00 C ATOM 1226 C CYS A 76 -34.165 21.863 -14.496 1.00 0.00 C ATOM 1227 O CYS A 76 -34.814 22.667 -13.821 1.00 0.00 O ATOM 1228 CB CYS A 76 -34.925 22.528 -16.801 1.00 0.00 C ATOM 1229 SG CYS A 76 -36.275 23.634 -16.321 1.00 0.00 S ATOM 0 H CYS A 76 -36.691 21.208 -15.266 1.00 0.00 H new ATOM 0 HA CYS A 76 -33.948 20.705 -16.280 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -34.006 23.108 -16.881 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -35.135 22.126 -17.792 1.00 0.00 H new ATOM 0 HG CYS A 76 -36.275 23.784 -15.030 1.00 0.00 H new ATOM 1235 N ASN A 77 -32.991 21.381 -14.112 1.00 0.00 N ATOM 1236 CA ASN A 77 -32.431 21.673 -12.790 1.00 0.00 C ATOM 1237 C ASN A 77 -31.799 23.063 -12.740 1.00 0.00 C ATOM 1238 O ASN A 77 -30.948 23.333 -11.893 1.00 0.00 O ATOM 1239 CB ASN A 77 -31.366 20.634 -12.412 1.00 0.00 C ATOM 1240 CG ASN A 77 -31.867 19.204 -12.473 1.00 0.00 C ATOM 1241 OD1 ASN A 77 -33.048 18.930 -12.267 1.00 0.00 O ATOM 1242 ND2 ASN A 77 -30.959 18.279 -12.757 1.00 0.00 N ATOM 0 H ASN A 77 -32.403 20.785 -14.695 1.00 0.00 H new ATOM 0 HA ASN A 77 -33.257 21.635 -12.080 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -30.512 20.740 -13.081 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -31.008 20.842 -11.404 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -31.231 17.297 -12.811 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -29.989 18.550 -12.921 1.00 0.00 H new ATOM 1249 N ASN A 78 -32.203 23.943 -13.643 1.00 0.00 N ATOM 1250 CA ASN A 78 -31.610 25.268 -13.707 1.00 0.00 C ATOM 1251 C ASN A 78 -32.534 26.315 -13.108 1.00 0.00 C ATOM 1252 O ASN A 78 -33.714 26.396 -13.453 1.00 0.00 O ATOM 1253 CB ASN A 78 -31.242 25.656 -15.155 1.00 0.00 C ATOM 1254 CG ASN A 78 -32.444 25.825 -16.074 1.00 0.00 C ATOM 1255 OD1 ASN A 78 -32.876 24.884 -16.734 1.00 0.00 O ATOM 1256 ND2 ASN A 78 -32.970 27.042 -16.156 1.00 0.00 N ATOM 0 H ASN A 78 -32.931 23.766 -14.335 1.00 0.00 H new ATOM 0 HA ASN A 78 -30.693 25.234 -13.118 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -30.676 26.588 -15.138 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -30.585 24.891 -15.570 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -33.757 27.216 -16.781 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -32.587 27.802 -15.594 1.00 0.00 H new ATOM 1263 N LEU A 79 -31.997 27.098 -12.188 1.00 0.00 N ATOM 1264 CA LEU A 79 -32.689 28.281 -11.713 1.00 0.00 C ATOM 1265 C LEU A 79 -32.279 29.465 -12.575 1.00 0.00 C ATOM 1266 O LEU A 79 -33.027 30.425 -12.738 1.00 0.00 O ATOM 1267 CB LEU A 79 -32.407 28.564 -10.231 1.00 0.00 C ATOM 1268 CG LEU A 79 -30.941 28.759 -9.846 1.00 0.00 C ATOM 1269 CD1 LEU A 79 -30.834 29.787 -8.733 1.00 0.00 C ATOM 1270 CD2 LEU A 79 -30.329 27.440 -9.395 1.00 0.00 C ATOM 0 H LEU A 79 -31.087 26.936 -11.757 1.00 0.00 H new ATOM 0 HA LEU A 79 -33.763 28.111 -11.795 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -32.958 29.459 -9.943 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -32.808 27.739 -9.643 1.00 0.00 H new ATOM 0 HG LEU A 79 -30.394 29.115 -10.719 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -29.787 29.922 -8.462 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -31.246 30.737 -9.074 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -31.392 29.441 -7.863 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -29.285 27.597 -9.125 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -30.875 27.062 -8.530 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -30.388 26.715 -10.207 1.00 0.00 H new ATOM 1282 N LEU A 80 -31.073 29.372 -13.136 1.00 0.00 N ATOM 1283 CA LEU A 80 -30.596 30.352 -14.103 1.00 0.00 C ATOM 1284 C LEU A 80 -31.085 29.965 -15.494 1.00 0.00 C ATOM 1285 O LEU A 80 -30.654 28.958 -16.055 1.00 0.00 O ATOM 1286 CB LEU A 80 -29.062 30.443 -14.114 1.00 0.00 C ATOM 1287 CG LEU A 80 -28.402 30.907 -12.809 1.00 0.00 C ATOM 1288 CD1 LEU A 80 -28.274 29.757 -11.822 1.00 0.00 C ATOM 1289 CD2 LEU A 80 -27.040 31.516 -13.097 1.00 0.00 C ATOM 0 H LEU A 80 -30.409 28.624 -12.934 1.00 0.00 H new ATOM 0 HA LEU A 80 -30.990 31.327 -13.815 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -28.662 29.462 -14.370 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -28.765 31.126 -14.910 1.00 0.00 H new ATOM 0 HG LEU A 80 -29.038 31.668 -12.357 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -27.803 30.114 -10.906 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -29.264 29.364 -11.591 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -27.663 28.968 -12.260 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -26.582 31.841 -12.163 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -26.402 30.772 -13.574 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -27.157 32.372 -13.761 1.00 0.00 H new ATOM 1301 N GLU A 81 -32.003 30.742 -16.035 1.00 0.00 N ATOM 1302 CA GLU A 81 -32.551 30.452 -17.347 1.00 0.00 C ATOM 1303 C GLU A 81 -31.708 31.104 -18.434 1.00 0.00 C ATOM 1304 O GLU A 81 -31.193 32.205 -18.262 1.00 0.00 O ATOM 1305 CB GLU A 81 -33.995 30.946 -17.433 1.00 0.00 C ATOM 1306 CG GLU A 81 -34.705 30.541 -18.712 1.00 0.00 C ATOM 1307 CD GLU A 81 -36.083 31.150 -18.819 1.00 0.00 C ATOM 1308 OE1 GLU A 81 -37.029 30.590 -18.238 1.00 0.00 O ATOM 1309 OE2 GLU A 81 -36.220 32.199 -19.482 1.00 0.00 O ATOM 0 H GLU A 81 -32.384 31.576 -15.589 1.00 0.00 H new ATOM 0 HA GLU A 81 -32.536 29.373 -17.499 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -34.553 30.559 -16.580 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -34.003 32.033 -17.352 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -34.107 30.848 -19.570 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -34.786 29.455 -18.752 1.00 0.00 H new ATOM 1316 N GLY A 82 -31.550 30.394 -19.540 1.00 0.00 N ATOM 1317 CA GLY A 82 -30.831 30.930 -20.678 1.00 0.00 C ATOM 1318 C GLY A 82 -29.340 30.662 -20.613 1.00 0.00 C ATOM 1319 O GLY A 82 -28.629 30.870 -21.591 1.00 0.00 O ATOM 0 H GLY A 82 -31.910 29.449 -19.671 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -31.234 30.496 -21.593 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -31.000 32.005 -20.734 1.00 0.00 H new ATOM 1323 N TYR A 83 -28.871 30.156 -19.484 1.00 0.00 N ATOM 1324 CA TYR A 83 -27.446 29.917 -19.294 1.00 0.00 C ATOM 1325 C TYR A 83 -27.186 28.477 -18.869 1.00 0.00 C ATOM 1326 O TYR A 83 -28.103 27.781 -18.428 1.00 0.00 O ATOM 1327 CB TYR A 83 -26.881 30.896 -18.259 1.00 0.00 C ATOM 1328 CG TYR A 83 -26.903 32.335 -18.723 1.00 0.00 C ATOM 1329 CD1 TYR A 83 -28.026 33.134 -18.544 1.00 0.00 C ATOM 1330 CD2 TYR A 83 -25.803 32.888 -19.360 1.00 0.00 C ATOM 1331 CE1 TYR A 83 -28.051 34.442 -18.991 1.00 0.00 C ATOM 1332 CE2 TYR A 83 -25.816 34.194 -19.804 1.00 0.00 C ATOM 1333 CZ TYR A 83 -26.941 34.967 -19.620 1.00 0.00 C ATOM 1334 OH TYR A 83 -26.958 36.264 -20.083 1.00 0.00 O ATOM 0 H TYR A 83 -29.453 29.903 -18.686 1.00 0.00 H new ATOM 0 HA TYR A 83 -26.940 30.081 -20.245 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -27.455 30.810 -17.336 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -25.855 30.613 -18.023 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -28.894 32.726 -18.047 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -24.920 32.285 -19.511 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -28.933 35.049 -18.849 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -24.947 34.609 -20.294 1.00 0.00 H new ATOM 0 HH TYR A 83 -26.913 36.263 -21.062 1.00 0.00 H new ATOM 1344 N HIS A 84 -25.947 28.029 -19.057 1.00 0.00 N ATOM 1345 CA HIS A 84 -25.524 26.690 -18.645 1.00 0.00 C ATOM 1346 C HIS A 84 -24.265 26.780 -17.798 1.00 0.00 C ATOM 1347 O HIS A 84 -23.441 27.680 -17.992 1.00 0.00 O ATOM 1348 CB HIS A 84 -25.213 25.789 -19.845 1.00 0.00 C ATOM 1349 CG HIS A 84 -26.382 25.410 -20.692 1.00 0.00 C ATOM 1350 ND1 HIS A 84 -27.456 26.134 -21.080 1.00 0.00 N flip ATOM 1351 CD2 HIS A 84 -26.477 24.202 -21.354 1.00 0.00 C flip ATOM 1352 CE1 HIS A 84 -28.194 25.400 -21.989 1.00 0.00 C flip ATOM 1353 NE2 HIS A 84 -27.573 24.244 -22.124 1.00 0.00 N flip ATOM 0 H HIS A 84 -25.210 28.580 -19.497 1.00 0.00 H new ATOM 0 HA HIS A 84 -26.351 26.260 -18.080 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -24.481 26.294 -20.475 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -24.743 24.877 -19.478 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -25.791 23.372 -21.267 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -29.099 25.711 -22.489 1.00 0.00 H new ATOM 0 HE2 HIS A 84 -27.884 23.486 -22.731 1.00 0.00 H new ATOM 1361 N PRO A 85 -24.094 25.846 -16.860 1.00 0.00 N ATOM 1362 CA PRO A 85 -22.916 25.799 -16.008 1.00 0.00 C ATOM 1363 C PRO A 85 -21.712 25.185 -16.722 1.00 0.00 C ATOM 1364 O PRO A 85 -21.863 24.404 -17.662 1.00 0.00 O ATOM 1365 CB PRO A 85 -23.366 24.915 -14.846 1.00 0.00 C ATOM 1366 CG PRO A 85 -24.391 24.003 -15.430 1.00 0.00 C ATOM 1367 CD PRO A 85 -25.043 24.755 -16.563 1.00 0.00 C ATOM 0 HA PRO A 85 -22.584 26.791 -15.702 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -22.529 24.354 -14.430 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -23.784 25.511 -14.035 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -23.931 23.083 -15.790 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -25.128 23.718 -14.680 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -25.198 24.114 -17.431 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -26.020 25.143 -16.275 1.00 0.00 H new ATOM 1375 N LYS A 86 -20.523 25.571 -16.287 1.00 0.00 N ATOM 1376 CA LYS A 86 -19.285 25.001 -16.799 1.00 0.00 C ATOM 1377 C LYS A 86 -18.213 25.097 -15.724 1.00 0.00 C ATOM 1378 O LYS A 86 -18.264 25.991 -14.880 1.00 0.00 O ATOM 1379 CB LYS A 86 -18.821 25.728 -18.069 1.00 0.00 C ATOM 1380 CG LYS A 86 -18.456 27.191 -17.851 1.00 0.00 C ATOM 1381 CD LYS A 86 -17.853 27.805 -19.105 1.00 0.00 C ATOM 1382 CE LYS A 86 -17.397 29.236 -18.864 1.00 0.00 C ATOM 1383 NZ LYS A 86 -18.536 30.160 -18.623 1.00 0.00 N ATOM 0 H LYS A 86 -20.388 26.286 -15.572 1.00 0.00 H new ATOM 0 HA LYS A 86 -19.461 23.957 -17.059 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -17.956 25.206 -18.478 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -19.611 25.670 -18.817 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -19.346 27.750 -17.562 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -17.747 27.272 -17.027 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -17.006 27.203 -19.434 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -18.588 27.787 -19.909 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -16.725 29.261 -18.006 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -16.827 29.583 -19.726 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -18.340 30.741 -17.783 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -18.663 30.778 -19.450 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -19.404 29.608 -18.467 1.00 0.00 H new ATOM 1397 N LEU A 87 -17.255 24.184 -15.746 1.00 0.00 N ATOM 1398 CA LEU A 87 -16.183 24.198 -14.760 1.00 0.00 C ATOM 1399 C LEU A 87 -15.099 25.180 -15.172 1.00 0.00 C ATOM 1400 O LEU A 87 -14.794 25.327 -16.356 1.00 0.00 O ATOM 1401 CB LEU A 87 -15.560 22.805 -14.567 1.00 0.00 C ATOM 1402 CG LEU A 87 -16.481 21.708 -14.013 1.00 0.00 C ATOM 1403 CD1 LEU A 87 -17.401 22.263 -12.934 1.00 0.00 C ATOM 1404 CD2 LEU A 87 -17.270 21.044 -15.134 1.00 0.00 C ATOM 0 H LEU A 87 -17.196 23.429 -16.429 1.00 0.00 H new ATOM 0 HA LEU A 87 -16.624 24.508 -13.812 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -15.172 22.470 -15.529 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -14.707 22.904 -13.896 1.00 0.00 H new ATOM 0 HG LEU A 87 -15.858 20.942 -13.551 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -18.043 21.466 -12.558 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -16.802 22.663 -12.116 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -18.017 23.057 -13.355 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -17.915 20.271 -14.716 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -17.881 21.791 -15.641 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -16.580 20.594 -15.848 1.00 0.00 H new ATOM 1416 N VAL A 88 -14.535 25.860 -14.191 1.00 0.00 N ATOM 1417 CA VAL A 88 -13.427 26.771 -14.423 1.00 0.00 C ATOM 1418 C VAL A 88 -12.329 26.509 -13.405 1.00 0.00 C ATOM 1419 O VAL A 88 -12.585 25.976 -12.326 1.00 0.00 O ATOM 1420 CB VAL A 88 -13.860 28.256 -14.333 1.00 0.00 C ATOM 1421 CG1 VAL A 88 -14.926 28.575 -15.360 1.00 0.00 C ATOM 1422 CG2 VAL A 88 -14.362 28.598 -12.940 1.00 0.00 C ATOM 0 H VAL A 88 -14.829 25.798 -13.216 1.00 0.00 H new ATOM 0 HA VAL A 88 -13.063 26.590 -15.434 1.00 0.00 H new ATOM 0 HB VAL A 88 -12.981 28.865 -14.543 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -15.211 29.623 -15.275 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -14.536 28.385 -16.360 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -15.799 27.946 -15.186 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -14.659 29.646 -12.907 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -15.220 27.970 -12.698 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -13.568 28.423 -12.214 1.00 0.00 H new ATOM 1432 N VAL A 89 -11.107 26.860 -13.750 1.00 0.00 N ATOM 1433 CA VAL A 89 -10.008 26.731 -12.815 1.00 0.00 C ATOM 1434 C VAL A 89 -9.699 28.086 -12.178 1.00 0.00 C ATOM 1435 O VAL A 89 -9.322 29.037 -12.858 1.00 0.00 O ATOM 1436 CB VAL A 89 -8.743 26.137 -13.484 1.00 0.00 C ATOM 1437 CG1 VAL A 89 -8.347 26.918 -14.727 1.00 0.00 C ATOM 1438 CG2 VAL A 89 -7.592 26.083 -12.494 1.00 0.00 C ATOM 0 H VAL A 89 -10.851 27.234 -14.664 1.00 0.00 H new ATOM 0 HA VAL A 89 -10.315 26.033 -12.036 1.00 0.00 H new ATOM 0 HB VAL A 89 -8.981 25.121 -13.798 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -7.456 26.472 -15.169 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -9.163 26.890 -15.449 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -8.138 27.953 -14.455 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -6.712 25.663 -12.982 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -7.366 27.090 -12.143 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -7.870 25.457 -11.646 1.00 0.00 H new ATOM 1448 N ASN A 90 -9.908 28.178 -10.876 1.00 0.00 N ATOM 1449 CA ASN A 90 -9.605 29.399 -10.142 1.00 0.00 C ATOM 1450 C ASN A 90 -8.577 29.110 -9.061 1.00 0.00 C ATOM 1451 O ASN A 90 -8.919 28.653 -7.966 1.00 0.00 O ATOM 1452 CB ASN A 90 -10.872 30.008 -9.526 1.00 0.00 C ATOM 1453 CG ASN A 90 -11.672 30.835 -10.518 1.00 0.00 C ATOM 1454 OD1 ASN A 90 -11.114 31.437 -11.436 1.00 0.00 O ATOM 1455 ND2 ASN A 90 -12.983 30.882 -10.334 1.00 0.00 N ATOM 0 H ASN A 90 -10.286 27.423 -10.304 1.00 0.00 H new ATOM 0 HA ASN A 90 -9.194 30.126 -10.843 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -11.501 29.208 -9.137 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -10.593 30.635 -8.679 1.00 0.00 H new ATOM 0 HD21 ASN A 90 -13.567 31.431 -10.965 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -13.408 30.369 -9.562 1.00 0.00 H new ATOM 1462 N GLY A 91 -7.316 29.360 -9.383 1.00 0.00 N ATOM 1463 CA GLY A 91 -6.237 29.068 -8.460 1.00 0.00 C ATOM 1464 C GLY A 91 -6.106 27.583 -8.188 1.00 0.00 C ATOM 1465 O GLY A 91 -5.971 26.782 -9.113 1.00 0.00 O ATOM 0 H GLY A 91 -7.019 29.762 -10.272 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -5.299 29.446 -8.868 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -6.411 29.594 -7.521 1.00 0.00 H new ATOM 1469 N ARG A 92 -6.167 27.209 -6.919 1.00 0.00 N ATOM 1470 CA ARG A 92 -6.054 25.809 -6.531 1.00 0.00 C ATOM 1471 C ARG A 92 -7.432 25.182 -6.338 1.00 0.00 C ATOM 1472 O ARG A 92 -7.556 24.088 -5.786 1.00 0.00 O ATOM 1473 CB ARG A 92 -5.233 25.680 -5.244 1.00 0.00 C ATOM 1474 CG ARG A 92 -3.787 26.121 -5.397 1.00 0.00 C ATOM 1475 CD ARG A 92 -3.034 25.244 -6.388 1.00 0.00 C ATOM 1476 NE ARG A 92 -1.661 25.703 -6.590 1.00 0.00 N ATOM 1477 CZ ARG A 92 -0.764 25.079 -7.354 1.00 0.00 C ATOM 1478 NH1 ARG A 92 -1.071 23.939 -7.961 1.00 0.00 N ATOM 1479 NH2 ARG A 92 0.447 25.596 -7.514 1.00 0.00 N ATOM 0 H ARG A 92 -6.294 27.854 -6.139 1.00 0.00 H new ATOM 0 HA ARG A 92 -5.545 25.275 -7.333 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -5.704 26.275 -4.461 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -5.254 24.642 -4.912 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -3.756 27.158 -5.732 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -3.290 26.084 -4.427 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -3.023 24.216 -6.027 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -3.560 25.241 -7.343 1.00 0.00 H new ATOM 0 HE ARG A 92 -1.370 26.557 -6.115 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -2.000 23.533 -7.845 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -0.378 23.469 -8.544 1.00 0.00 H new ATOM 0 HH21 ARG A 92 0.693 26.472 -7.052 1.00 0.00 H new ATOM 0 HH22 ARG A 92 1.132 25.118 -8.099 1.00 0.00 H new ATOM 1493 N SER A 93 -8.461 25.870 -6.812 1.00 0.00 N ATOM 1494 CA SER A 93 -9.826 25.393 -6.669 1.00 0.00 C ATOM 1495 C SER A 93 -10.516 25.320 -8.028 1.00 0.00 C ATOM 1496 O SER A 93 -10.269 26.148 -8.909 1.00 0.00 O ATOM 1497 CB SER A 93 -10.610 26.326 -5.741 1.00 0.00 C ATOM 1498 OG SER A 93 -9.909 26.556 -4.528 1.00 0.00 O ATOM 0 H SER A 93 -8.375 26.762 -7.300 1.00 0.00 H new ATOM 0 HA SER A 93 -9.798 24.392 -6.238 1.00 0.00 H new ATOM 0 HB2 SER A 93 -10.791 27.276 -6.245 1.00 0.00 H new ATOM 0 HB3 SER A 93 -11.585 25.890 -5.523 1.00 0.00 H new ATOM 0 HG SER A 93 -10.432 27.156 -3.956 1.00 0.00 H new ATOM 1504 N ILE A 94 -11.365 24.323 -8.202 1.00 0.00 N ATOM 1505 CA ILE A 94 -12.171 24.210 -9.403 1.00 0.00 C ATOM 1506 C ILE A 94 -13.554 24.783 -9.123 1.00 0.00 C ATOM 1507 O ILE A 94 -14.171 24.462 -8.107 1.00 0.00 O ATOM 1508 CB ILE A 94 -12.278 22.743 -9.870 1.00 0.00 C ATOM 1509 CG1 ILE A 94 -10.873 22.150 -10.032 1.00 0.00 C ATOM 1510 CG2 ILE A 94 -13.058 22.653 -11.177 1.00 0.00 C ATOM 1511 CD1 ILE A 94 -10.853 20.659 -10.283 1.00 0.00 C ATOM 0 H ILE A 94 -11.514 23.577 -7.523 1.00 0.00 H new ATOM 0 HA ILE A 94 -11.693 24.772 -10.206 1.00 0.00 H new ATOM 0 HB ILE A 94 -12.818 22.168 -9.118 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -10.372 22.653 -10.859 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -10.295 22.363 -9.133 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -13.123 21.611 -11.491 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -14.062 23.051 -11.030 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -12.547 23.232 -11.946 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -9.822 20.321 -10.386 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -11.322 20.143 -9.446 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -11.400 20.437 -11.199 1.00 0.00 H new ATOM 1523 N ASP A 95 -14.034 25.635 -10.012 1.00 0.00 N ATOM 1524 CA ASP A 95 -15.240 26.406 -9.760 1.00 0.00 C ATOM 1525 C ASP A 95 -16.236 26.211 -10.893 1.00 0.00 C ATOM 1526 O ASP A 95 -15.954 25.511 -11.865 1.00 0.00 O ATOM 1527 CB ASP A 95 -14.887 27.891 -9.627 1.00 0.00 C ATOM 1528 CG ASP A 95 -16.002 28.717 -9.012 1.00 0.00 C ATOM 1529 OD1 ASP A 95 -16.944 28.132 -8.439 1.00 0.00 O ATOM 1530 OD2 ASP A 95 -15.945 29.958 -9.109 1.00 0.00 O ATOM 0 H ASP A 95 -13.604 25.811 -10.920 1.00 0.00 H new ATOM 0 HA ASP A 95 -15.693 26.059 -8.831 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -13.990 27.991 -9.016 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -14.648 28.291 -10.612 1.00 0.00 H new ATOM 1535 N ILE A 96 -17.394 26.831 -10.763 1.00 0.00 N ATOM 1536 CA ILE A 96 -18.427 26.745 -11.769 1.00 0.00 C ATOM 1537 C ILE A 96 -18.830 28.134 -12.229 1.00 0.00 C ATOM 1538 O ILE A 96 -19.087 29.026 -11.419 1.00 0.00 O ATOM 1539 CB ILE A 96 -19.663 25.998 -11.237 1.00 0.00 C ATOM 1540 CG1 ILE A 96 -19.259 24.595 -10.781 1.00 0.00 C ATOM 1541 CG2 ILE A 96 -20.754 25.926 -12.304 1.00 0.00 C ATOM 1542 CD1 ILE A 96 -20.342 23.872 -10.030 1.00 0.00 C ATOM 0 H ILE A 96 -17.641 27.406 -9.958 1.00 0.00 H new ATOM 0 HA ILE A 96 -18.023 26.186 -12.613 1.00 0.00 H new ATOM 0 HB ILE A 96 -20.066 26.545 -10.385 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -18.977 24.005 -11.653 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -18.375 24.668 -10.147 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -21.618 25.394 -11.906 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -21.050 26.935 -12.590 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -20.374 25.398 -13.178 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -19.985 22.884 -9.738 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -20.608 24.440 -9.139 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -21.219 23.767 -10.668 1.00 0.00 H new ATOM 1554 N GLU A 97 -18.847 28.303 -13.533 1.00 0.00 N ATOM 1555 CA GLU A 97 -19.252 29.545 -14.161 1.00 0.00 C ATOM 1556 C GLU A 97 -20.411 29.248 -15.104 1.00 0.00 C ATOM 1557 O GLU A 97 -20.735 28.084 -15.331 1.00 0.00 O ATOM 1558 CB GLU A 97 -18.065 30.134 -14.923 1.00 0.00 C ATOM 1559 CG GLU A 97 -17.969 31.649 -14.873 1.00 0.00 C ATOM 1560 CD GLU A 97 -18.836 32.322 -15.911 1.00 0.00 C ATOM 1561 OE1 GLU A 97 -18.432 32.356 -17.094 1.00 0.00 O ATOM 1562 OE2 GLU A 97 -19.931 32.800 -15.555 1.00 0.00 O ATOM 0 H GLU A 97 -18.578 27.576 -14.195 1.00 0.00 H new ATOM 0 HA GLU A 97 -19.574 30.272 -13.415 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -17.145 29.711 -14.519 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -18.128 29.821 -15.965 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -18.261 31.995 -13.882 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -16.932 31.948 -15.022 1.00 0.00 H new ATOM 1569 N TYR A 98 -21.023 30.277 -15.655 1.00 0.00 N ATOM 1570 CA TYR A 98 -22.162 30.099 -16.538 1.00 0.00 C ATOM 1571 C TYR A 98 -21.925 30.761 -17.882 1.00 0.00 C ATOM 1572 O TYR A 98 -21.437 31.884 -17.956 1.00 0.00 O ATOM 1573 CB TYR A 98 -23.423 30.667 -15.891 1.00 0.00 C ATOM 1574 CG TYR A 98 -24.244 29.633 -15.155 1.00 0.00 C ATOM 1575 CD1 TYR A 98 -23.856 29.172 -13.905 1.00 0.00 C ATOM 1576 CD2 TYR A 98 -25.409 29.117 -15.715 1.00 0.00 C ATOM 1577 CE1 TYR A 98 -24.603 28.225 -13.231 1.00 0.00 C ATOM 1578 CE2 TYR A 98 -26.161 28.170 -15.044 1.00 0.00 C ATOM 1579 CZ TYR A 98 -25.752 27.728 -13.804 1.00 0.00 C ATOM 1580 OH TYR A 98 -26.497 26.783 -13.136 1.00 0.00 O ATOM 0 H TYR A 98 -20.751 31.249 -15.507 1.00 0.00 H new ATOM 0 HA TYR A 98 -22.294 29.030 -16.705 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -23.140 31.457 -15.195 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -24.041 31.128 -16.662 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -22.956 29.560 -13.452 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -25.730 29.461 -16.687 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -24.287 27.876 -12.259 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -27.064 27.779 -15.489 1.00 0.00 H new ATOM 0 HH TYR A 98 -25.988 26.448 -12.369 1.00 0.00 H new ATOM 1590 N TYR A 99 -22.255 30.049 -18.943 1.00 0.00 N ATOM 1591 CA TYR A 99 -22.170 30.599 -20.286 1.00 0.00 C ATOM 1592 C TYR A 99 -23.555 30.615 -20.913 1.00 0.00 C ATOM 1593 O TYR A 99 -24.407 29.789 -20.574 1.00 0.00 O ATOM 1594 CB TYR A 99 -21.183 29.805 -21.156 1.00 0.00 C ATOM 1595 CG TYR A 99 -21.539 28.347 -21.342 1.00 0.00 C ATOM 1596 CD1 TYR A 99 -21.103 27.388 -20.437 1.00 0.00 C ATOM 1597 CD2 TYR A 99 -22.305 27.928 -22.423 1.00 0.00 C ATOM 1598 CE1 TYR A 99 -21.418 26.057 -20.603 1.00 0.00 C ATOM 1599 CE2 TYR A 99 -22.627 26.596 -22.596 1.00 0.00 C ATOM 1600 CZ TYR A 99 -22.182 25.665 -21.683 1.00 0.00 C ATOM 1601 OH TYR A 99 -22.503 24.337 -21.849 1.00 0.00 O ATOM 0 H TYR A 99 -22.586 29.085 -18.902 1.00 0.00 H new ATOM 0 HA TYR A 99 -21.793 31.620 -20.223 1.00 0.00 H new ATOM 0 HB2 TYR A 99 -21.121 30.278 -22.136 1.00 0.00 H new ATOM 0 HB3 TYR A 99 -20.191 29.869 -20.708 1.00 0.00 H new ATOM 0 HD1 TYR A 99 -20.507 27.691 -19.589 1.00 0.00 H new ATOM 0 HD2 TYR A 99 -22.654 28.656 -23.140 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -21.069 25.324 -19.891 1.00 0.00 H new ATOM 0 HE2 TYR A 99 -23.224 26.286 -23.441 1.00 0.00 H new ATOM 0 HH TYR A 99 -23.046 24.230 -22.658 1.00 0.00 H new ATOM 1611 N GLU A 100 -23.785 31.555 -21.812 1.00 0.00 N ATOM 1612 CA GLU A 100 -25.099 31.723 -22.401 1.00 0.00 C ATOM 1613 C GLU A 100 -25.405 30.580 -23.365 1.00 0.00 C ATOM 1614 O GLU A 100 -24.535 30.134 -24.118 1.00 0.00 O ATOM 1615 CB GLU A 100 -25.200 33.081 -23.099 1.00 0.00 C ATOM 1616 CG GLU A 100 -26.630 33.510 -23.385 1.00 0.00 C ATOM 1617 CD GLU A 100 -26.738 34.961 -23.805 1.00 0.00 C ATOM 1618 OE1 GLU A 100 -26.816 35.841 -22.918 1.00 0.00 O ATOM 1619 OE2 GLU A 100 -26.764 35.234 -25.023 1.00 0.00 O ATOM 0 H GLU A 100 -23.081 32.211 -22.149 1.00 0.00 H new ATOM 0 HA GLU A 100 -25.845 31.697 -21.607 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -24.720 33.837 -22.478 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -24.646 33.041 -24.037 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -27.043 32.878 -24.171 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -27.237 33.349 -22.494 1.00 0.00 H new ATOM 1626 N CYS A 101 -26.636 30.084 -23.284 1.00 0.00 N ATOM 1627 CA CYS A 101 -27.114 28.996 -24.134 1.00 0.00 C ATOM 1628 C CYS A 101 -26.770 29.241 -25.606 1.00 0.00 C ATOM 1629 O CYS A 101 -27.142 30.267 -26.173 1.00 0.00 O ATOM 1630 CB CYS A 101 -28.628 28.853 -23.978 1.00 0.00 C ATOM 1631 SG CYS A 101 -29.322 27.338 -24.711 1.00 0.00 S ATOM 0 H CYS A 101 -27.334 30.427 -22.624 1.00 0.00 H new ATOM 0 HA CYS A 101 -26.618 28.078 -23.820 1.00 0.00 H new ATOM 0 HB2 CYS A 101 -28.875 28.874 -22.917 1.00 0.00 H new ATOM 0 HB3 CYS A 101 -29.111 29.717 -24.435 1.00 0.00 H new ATOM 0 HG CYS A 101 -30.114 26.765 -23.854 1.00 0.00 H new ATOM 1636 N PRO A 102 -26.079 28.279 -26.241 1.00 0.00 N ATOM 1637 CA PRO A 102 -25.612 28.406 -27.633 1.00 0.00 C ATOM 1638 C PRO A 102 -26.748 28.504 -28.650 1.00 0.00 C ATOM 1639 O PRO A 102 -26.516 28.823 -29.813 1.00 0.00 O ATOM 1640 CB PRO A 102 -24.810 27.120 -27.863 1.00 0.00 C ATOM 1641 CG PRO A 102 -25.307 26.163 -26.836 1.00 0.00 C ATOM 1642 CD PRO A 102 -25.675 26.996 -25.643 1.00 0.00 C ATOM 0 HA PRO A 102 -25.040 29.323 -27.770 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -24.966 26.733 -28.870 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -23.740 27.297 -27.752 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -26.169 25.607 -27.205 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -24.541 25.431 -26.580 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -26.486 26.545 -25.072 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -24.833 27.117 -24.961 1.00 0.00 H new ATOM 1650 N VAL A 103 -27.974 28.242 -28.208 1.00 0.00 N ATOM 1651 CA VAL A 103 -29.137 28.317 -29.089 1.00 0.00 C ATOM 1652 C VAL A 103 -29.379 29.763 -29.527 1.00 0.00 C ATOM 1653 O VAL A 103 -30.040 30.024 -30.530 1.00 0.00 O ATOM 1654 CB VAL A 103 -30.410 27.757 -28.401 1.00 0.00 C ATOM 1655 CG1 VAL A 103 -30.924 28.702 -27.323 1.00 0.00 C ATOM 1656 CG2 VAL A 103 -31.498 27.466 -29.421 1.00 0.00 C ATOM 0 H VAL A 103 -28.189 27.976 -27.247 1.00 0.00 H new ATOM 0 HA VAL A 103 -28.927 27.703 -29.965 1.00 0.00 H new ATOM 0 HB VAL A 103 -30.133 26.820 -27.918 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -31.816 28.278 -26.863 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -30.155 28.840 -26.563 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -31.170 29.665 -27.770 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -32.379 27.075 -28.912 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -31.760 28.385 -29.945 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -31.136 26.729 -30.138 1.00 0.00 H new ATOM 1666 N LYS A 104 -28.813 30.696 -28.770 1.00 0.00 N ATOM 1667 CA LYS A 104 -28.987 32.115 -29.035 1.00 0.00 C ATOM 1668 C LYS A 104 -28.048 32.590 -30.144 1.00 0.00 C ATOM 1669 O LYS A 104 -28.166 33.716 -30.629 1.00 0.00 O ATOM 1670 CB LYS A 104 -28.774 32.916 -27.748 1.00 0.00 C ATOM 1671 CG LYS A 104 -29.728 32.500 -26.638 1.00 0.00 C ATOM 1672 CD LYS A 104 -29.512 33.281 -25.349 1.00 0.00 C ATOM 1673 CE LYS A 104 -30.004 34.718 -25.449 1.00 0.00 C ATOM 1674 NZ LYS A 104 -29.070 35.588 -26.216 1.00 0.00 N ATOM 0 H LYS A 104 -28.225 30.490 -27.962 1.00 0.00 H new ATOM 0 HA LYS A 104 -30.007 32.281 -29.383 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -27.747 32.785 -27.408 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -28.907 33.977 -27.958 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -30.755 32.642 -26.976 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -29.603 31.436 -26.438 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -30.031 32.779 -24.532 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -28.451 33.280 -25.101 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -30.983 34.731 -25.927 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -30.134 35.125 -24.446 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -29.043 36.534 -25.785 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -28.116 35.173 -26.199 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -29.397 35.665 -27.200 1.00 0.00 H new