USER MOD reduce.3.24.130724 H: found=0, std=0, add=702, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 700 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 105 CYS SG : rot 180:sc= 0.264 USER MOD Set 1.2: A 108 LYS NZ :NH3+ -165:sc= -4.35! (180deg=-5.5!) USER MOD Set 2.1: A 84 ASN :FLIP amide:sc= -0.313 F(o=-3.2,f=-2.5) USER MOD Set 2.2: A 85 ASN : amide:sc= -2.21 K(o=-2.5,f=-3.2!) USER MOD Set 3.1: A 56 MET CE :methyl -178:sc= -1.31 (180deg=-1.37) USER MOD Set 3.2: A 57 ASN : amide:sc= -3.45! C(o=-10!,f=-9.9!) USER MOD Set 3.3: A 69 TYR OH : rot 133:sc= -5.45! USER MOD Set 4.1: A 44 SER OG : rot 58:sc= -1.75 USER MOD Set 4.2: A 48 THR OG1 : rot 180:sc= 0 USER MOD Set 5.1: A 25 GLN :FLIP amide:sc= -0.803 F(o=-3.9!,f=-1.2) USER MOD Set 5.2: A 28 LYS NZ :NH3+ 147:sc= -0.384 (180deg=-1.76!) USER MOD Single : A 15 THR OG1 : rot 66:sc= 1.08 USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 HIS : no HD1:sc= -0.374 X(o=-0.37,f=-0.043) USER MOD Single : A 20 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 180:sc= -0.22 USER MOD Single : A 40 HIS : no HD1:sc= 0 X(o=0,f=-0.074) USER MOD Single : A 43 GLN : amide:sc= -0.035 X(o=-0.035,f=0) USER MOD Single : A 47 HIS : no HD1:sc= -0.145 X(o=-0.15,f=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot -19:sc= 0.654 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 ASN :FLIP amide:sc= -4.36! C(o=-5.6!,f=-4.4!) USER MOD Single : A 61 ASN :FLIP amide:sc= -5.34! C(o=-12!,f=-5.3!) USER MOD Single : A 62 CYS SG : rot 180:sc= 0 USER MOD Single : A 64 THR OG1 : rot -27:sc= -0.547! USER MOD Single : A 65 ASN : amide:sc= -1.23 K(o=-1.2,f=-4.6!) USER MOD Single : A 70 LYS NZ :NH3+ 152:sc= -0.278 (180deg=-1.19!) USER MOD Single : A 73 TYR OH : rot -110:sc= -4.71! USER MOD Single : A 77 TYR OH : rot 80:sc= -7.1! USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 ASN : amide:sc= -0.0675 K(o=-0.068,f=-2.2!) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 173 N VAL A 13 1.586 1.603 -4.828 1.00 0.00 N ATOM 174 CA VAL A 13 1.435 0.171 -5.170 1.00 0.00 C ATOM 175 C VAL A 13 1.925 -0.133 -6.570 1.00 0.00 C ATOM 176 O VAL A 13 1.466 0.437 -7.540 1.00 0.00 O ATOM 177 CB VAL A 13 -0.065 -0.224 -5.039 1.00 0.00 C ATOM 178 CG1 VAL A 13 -0.837 0.139 -6.314 1.00 0.00 C ATOM 179 CG2 VAL A 13 -0.162 -1.737 -4.814 1.00 0.00 C ATOM 0 HA VAL A 13 2.045 -0.411 -4.479 1.00 0.00 H new ATOM 0 HB VAL A 13 -0.499 0.319 -4.199 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -1.883 -0.146 -6.200 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -0.770 1.213 -6.486 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -0.407 -0.392 -7.163 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -1.209 -2.025 -4.721 1.00 0.00 H new ATOM 0 HG22 VAL A 13 0.284 -2.260 -5.660 1.00 0.00 H new ATOM 0 HG23 VAL A 13 0.370 -2.004 -3.901 1.00 0.00 H new ATOM 189 N ASP A 14 2.879 -1.023 -6.647 1.00 0.00 N ATOM 190 CA ASP A 14 3.412 -1.387 -7.962 1.00 0.00 C ATOM 191 C ASP A 14 2.511 -2.464 -8.459 1.00 0.00 C ATOM 192 O ASP A 14 1.937 -3.168 -7.654 1.00 0.00 O ATOM 193 CB ASP A 14 4.842 -1.936 -7.808 1.00 0.00 C ATOM 194 CG ASP A 14 5.793 -0.787 -7.461 1.00 0.00 C ATOM 195 OD1 ASP A 14 5.493 -0.109 -6.491 1.00 0.00 O ATOM 196 OD2 ASP A 14 6.766 -0.654 -8.184 1.00 0.00 O ATOM 0 H ASP A 14 3.301 -1.503 -5.852 1.00 0.00 H new ATOM 0 HA ASP A 14 3.453 -0.536 -8.642 1.00 0.00 H new ATOM 0 HB2 ASP A 14 4.870 -2.695 -7.026 1.00 0.00 H new ATOM 0 HB3 ASP A 14 5.159 -2.419 -8.732 1.00 0.00 H new ATOM 201 N THR A 15 2.381 -2.615 -9.743 1.00 0.00 N ATOM 202 CA THR A 15 1.478 -3.674 -10.205 1.00 0.00 C ATOM 203 C THR A 15 1.932 -4.360 -11.478 1.00 0.00 C ATOM 204 O THR A 15 1.596 -3.962 -12.576 1.00 0.00 O ATOM 205 CB THR A 15 0.102 -3.028 -10.410 1.00 0.00 C ATOM 206 OG1 THR A 15 0.244 -2.194 -11.545 1.00 0.00 O ATOM 207 CG2 THR A 15 -0.217 -2.051 -9.239 1.00 0.00 C ATOM 0 H THR A 15 2.848 -2.067 -10.465 1.00 0.00 H new ATOM 0 HA THR A 15 1.457 -4.463 -9.453 1.00 0.00 H new ATOM 0 HB THR A 15 -0.665 -3.798 -10.491 1.00 0.00 H new ATOM 0 HG1 THR A 15 0.405 -2.746 -12.339 1.00 0.00 H new ATOM 0 HG21 THR A 15 -1.196 -1.600 -9.398 1.00 0.00 H new ATOM 0 HG22 THR A 15 -0.219 -2.600 -8.297 1.00 0.00 H new ATOM 0 HG23 THR A 15 0.541 -1.269 -9.201 1.00 0.00 H new ATOM 215 N ALA A 16 2.700 -5.381 -11.273 1.00 0.00 N ATOM 216 CA ALA A 16 3.232 -6.182 -12.391 1.00 0.00 C ATOM 217 C ALA A 16 2.605 -7.542 -12.208 1.00 0.00 C ATOM 218 O ALA A 16 3.092 -8.349 -11.444 1.00 0.00 O ATOM 219 CB ALA A 16 4.759 -6.284 -12.246 1.00 0.00 C ATOM 0 H ALA A 16 2.989 -5.702 -10.349 1.00 0.00 H new ATOM 0 HA ALA A 16 3.014 -5.755 -13.370 1.00 0.00 H new ATOM 0 HB1 ALA A 16 5.164 -6.875 -13.068 1.00 0.00 H new ATOM 0 HB2 ALA A 16 5.194 -5.285 -12.268 1.00 0.00 H new ATOM 0 HB3 ALA A 16 5.003 -6.765 -11.299 1.00 0.00 H new ATOM 225 N ILE A 17 1.536 -7.784 -12.905 1.00 0.00 N ATOM 226 CA ILE A 17 0.875 -9.085 -12.750 1.00 0.00 C ATOM 227 C ILE A 17 1.442 -10.255 -13.573 1.00 0.00 C ATOM 228 O ILE A 17 2.480 -10.788 -13.229 1.00 0.00 O ATOM 229 CB ILE A 17 -0.601 -8.893 -13.054 1.00 0.00 C ATOM 230 CG1 ILE A 17 -1.366 -10.178 -12.762 1.00 0.00 C ATOM 231 CG2 ILE A 17 -0.765 -8.522 -14.530 1.00 0.00 C ATOM 232 CD1 ILE A 17 -1.441 -10.383 -11.242 1.00 0.00 C ATOM 0 H ILE A 17 1.101 -7.140 -13.566 1.00 0.00 H new ATOM 0 HA ILE A 17 1.062 -9.394 -11.722 1.00 0.00 H new ATOM 0 HB ILE A 17 -0.998 -8.095 -12.426 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -2.369 -10.123 -13.184 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -0.869 -11.027 -13.232 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -1.822 -8.383 -14.755 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -0.226 -7.597 -14.735 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -0.364 -9.322 -15.153 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -1.987 -11.301 -11.025 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -0.433 -10.456 -10.835 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -1.956 -9.538 -10.786 1.00 0.00 H new ATOM 244 N TYR A 18 0.764 -10.638 -14.651 1.00 0.00 N ATOM 245 CA TYR A 18 1.279 -11.780 -15.450 1.00 0.00 C ATOM 246 C TYR A 18 2.132 -11.515 -16.700 1.00 0.00 C ATOM 247 O TYR A 18 3.331 -11.710 -16.638 1.00 0.00 O ATOM 248 CB TYR A 18 0.066 -12.603 -15.896 1.00 0.00 C ATOM 249 CG TYR A 18 -0.787 -12.948 -14.674 1.00 0.00 C ATOM 250 CD1 TYR A 18 -0.238 -13.619 -13.597 1.00 0.00 C ATOM 251 CD2 TYR A 18 -2.112 -12.575 -14.625 1.00 0.00 C ATOM 252 CE1 TYR A 18 -1.008 -13.907 -12.488 1.00 0.00 C ATOM 253 CE2 TYR A 18 -2.881 -12.862 -13.517 1.00 0.00 C ATOM 254 CZ TYR A 18 -2.334 -13.530 -12.439 1.00 0.00 C ATOM 255 OH TYR A 18 -3.101 -13.809 -11.325 1.00 0.00 O ATOM 0 H TYR A 18 -0.098 -10.211 -14.990 1.00 0.00 H new ATOM 0 HA TYR A 18 1.979 -12.265 -14.769 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -0.524 -12.040 -16.619 1.00 0.00 H new ATOM 0 HB3 TYR A 18 0.394 -13.515 -16.394 1.00 0.00 H new ATOM 0 HD1 TYR A 18 0.799 -13.920 -13.623 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -2.552 -12.053 -15.462 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -0.569 -14.432 -11.652 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -3.918 -12.562 -13.492 1.00 0.00 H new ATOM 0 HH TYR A 18 -4.011 -13.471 -11.461 1.00 0.00 H new ATOM 265 N HIS A 19 1.540 -11.058 -17.822 1.00 0.00 N ATOM 266 CA HIS A 19 2.436 -10.847 -19.017 1.00 0.00 C ATOM 267 C HIS A 19 2.956 -9.458 -19.431 1.00 0.00 C ATOM 268 O HIS A 19 4.068 -9.115 -19.075 1.00 0.00 O ATOM 269 CB HIS A 19 1.685 -11.396 -20.235 1.00 0.00 C ATOM 270 CG HIS A 19 1.400 -12.887 -20.031 1.00 0.00 C ATOM 271 ND1 HIS A 19 2.157 -13.684 -19.438 1.00 0.00 N ATOM 272 CD2 HIS A 19 0.318 -13.643 -20.441 1.00 0.00 C ATOM 273 CE1 HIS A 19 1.677 -14.858 -19.424 1.00 0.00 C ATOM 274 NE2 HIS A 19 0.498 -14.932 -20.044 1.00 0.00 N ATOM 0 H HIS A 19 0.551 -10.841 -17.943 1.00 0.00 H new ATOM 0 HA HIS A 19 3.349 -11.341 -18.685 1.00 0.00 H new ATOM 0 HB2 HIS A 19 0.751 -10.852 -20.375 1.00 0.00 H new ATOM 0 HB3 HIS A 19 2.278 -11.248 -21.138 1.00 0.00 H new ATOM 0 HD2 HIS A 19 -0.535 -13.270 -20.989 1.00 0.00 H new ATOM 0 HE1 HIS A 19 2.167 -15.702 -18.962 1.00 0.00 H new ATOM 0 HE2 HIS A 19 -0.108 -15.741 -20.183 1.00 0.00 H new ATOM 282 N HIS A 20 2.155 -8.659 -20.171 1.00 0.00 N ATOM 283 CA HIS A 20 2.713 -7.311 -20.586 1.00 0.00 C ATOM 284 C HIS A 20 2.239 -5.944 -20.022 1.00 0.00 C ATOM 285 O HIS A 20 2.816 -5.414 -19.094 1.00 0.00 O ATOM 286 CB HIS A 20 2.430 -7.235 -22.078 1.00 0.00 C ATOM 287 CG HIS A 20 3.258 -8.292 -22.819 1.00 0.00 C ATOM 288 ND1 HIS A 20 4.473 -8.514 -22.632 1.00 0.00 N ATOM 289 CD2 HIS A 20 2.870 -9.184 -23.803 1.00 0.00 C ATOM 290 CE1 HIS A 20 4.899 -9.444 -23.384 1.00 0.00 C ATOM 291 NE2 HIS A 20 3.941 -9.938 -24.170 1.00 0.00 N ATOM 0 H HIS A 20 1.207 -8.874 -20.480 1.00 0.00 H new ATOM 0 HA HIS A 20 3.724 -7.360 -20.181 1.00 0.00 H new ATOM 0 HB2 HIS A 20 1.368 -7.395 -22.265 1.00 0.00 H new ATOM 0 HB3 HIS A 20 2.673 -6.241 -22.453 1.00 0.00 H new ATOM 0 HD2 HIS A 20 1.875 -9.268 -24.214 1.00 0.00 H new ATOM 0 HE1 HIS A 20 5.920 -9.795 -23.387 1.00 0.00 H new ATOM 0 HE2 HIS A 20 3.997 -10.684 -24.863 1.00 0.00 H new ATOM 299 N LYS A 21 1.170 -5.409 -20.627 1.00 0.00 N ATOM 300 CA LYS A 21 0.640 -4.065 -20.181 1.00 0.00 C ATOM 301 C LYS A 21 -0.622 -3.940 -19.327 1.00 0.00 C ATOM 302 O LYS A 21 -0.551 -3.638 -18.151 1.00 0.00 O ATOM 303 CB LYS A 21 0.353 -3.299 -21.477 1.00 0.00 C ATOM 304 CG LYS A 21 0.320 -1.802 -21.192 1.00 0.00 C ATOM 305 CD LYS A 21 -0.750 -1.157 -22.082 1.00 0.00 C ATOM 306 CE LYS A 21 -0.349 0.285 -22.414 1.00 0.00 C ATOM 307 NZ LYS A 21 0.073 0.391 -23.840 1.00 0.00 N ATOM 0 H LYS A 21 0.658 -5.844 -21.395 1.00 0.00 H new ATOM 0 HA LYS A 21 1.413 -3.706 -19.501 1.00 0.00 H new ATOM 0 HB2 LYS A 21 1.120 -3.521 -22.219 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -0.600 -3.620 -21.897 1.00 0.00 H new ATOM 0 HG2 LYS A 21 0.096 -1.622 -20.141 1.00 0.00 H new ATOM 0 HG3 LYS A 21 1.295 -1.358 -21.391 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -0.867 -1.732 -23.000 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -1.714 -1.168 -21.574 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -1.188 0.955 -22.225 1.00 0.00 H new ATOM 0 HE3 LYS A 21 0.465 0.602 -21.762 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 0.342 1.373 -24.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 0.887 -0.234 -24.009 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -0.715 0.108 -24.457 1.00 0.00 H new ATOM 321 N LEU A 22 -1.760 -4.177 -19.935 1.00 0.00 N ATOM 322 CA LEU A 22 -3.020 -4.050 -19.171 1.00 0.00 C ATOM 323 C LEU A 22 -3.407 -5.268 -18.435 1.00 0.00 C ATOM 324 O LEU A 22 -4.533 -5.398 -18.004 1.00 0.00 O ATOM 325 CB LEU A 22 -4.152 -3.666 -20.134 1.00 0.00 C ATOM 326 CG LEU A 22 -4.538 -4.867 -21.001 1.00 0.00 C ATOM 327 CD1 LEU A 22 -5.558 -4.406 -22.045 1.00 0.00 C ATOM 328 CD2 LEU A 22 -3.305 -5.402 -21.723 1.00 0.00 C ATOM 0 H LEU A 22 -1.861 -4.448 -20.913 1.00 0.00 H new ATOM 0 HA LEU A 22 -2.848 -3.279 -18.420 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -5.019 -3.322 -19.569 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -3.835 -2.838 -20.768 1.00 0.00 H new ATOM 0 HG LEU A 22 -4.959 -5.652 -20.372 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -5.844 -5.251 -22.672 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -6.441 -4.012 -21.542 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -5.116 -3.627 -22.666 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -3.586 -6.257 -22.338 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -2.887 -4.620 -22.357 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -2.560 -5.712 -20.990 1.00 0.00 H new ATOM 340 N ARG A 23 -2.517 -6.142 -18.293 1.00 0.00 N ATOM 341 CA ARG A 23 -2.862 -7.333 -17.573 1.00 0.00 C ATOM 342 C ARG A 23 -2.955 -6.924 -16.107 1.00 0.00 C ATOM 343 O ARG A 23 -3.713 -7.480 -15.321 1.00 0.00 O ATOM 344 CB ARG A 23 -1.734 -8.352 -17.802 1.00 0.00 C ATOM 345 CG ARG A 23 -2.279 -9.781 -17.631 1.00 0.00 C ATOM 346 CD ARG A 23 -1.982 -10.581 -18.885 1.00 0.00 C ATOM 347 NE ARG A 23 -2.460 -11.972 -18.685 1.00 0.00 N ATOM 348 CZ ARG A 23 -3.457 -12.408 -19.392 1.00 0.00 C ATOM 349 NH1 ARG A 23 -3.223 -12.880 -20.584 1.00 0.00 N ATOM 350 NH2 ARG A 23 -4.658 -12.356 -18.887 1.00 0.00 N ATOM 0 H ARG A 23 -1.561 -6.087 -18.644 1.00 0.00 H new ATOM 0 HA ARG A 23 -3.802 -7.782 -17.893 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -1.318 -8.229 -18.802 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -0.923 -8.175 -17.095 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -1.820 -10.257 -16.764 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -3.353 -9.754 -17.448 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -2.476 -10.131 -19.746 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -0.912 -10.575 -19.093 1.00 0.00 H new ATOM 0 HE ARG A 23 -2.010 -12.578 -17.999 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -2.270 -12.902 -20.946 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -3.993 -13.227 -21.155 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -4.802 -11.977 -17.951 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -5.454 -12.694 -19.428 1.00 0.00 H new ATOM 364 N ASP A 24 -2.205 -5.888 -15.791 1.00 0.00 N ATOM 365 CA ASP A 24 -2.191 -5.374 -14.417 1.00 0.00 C ATOM 366 C ASP A 24 -3.135 -4.217 -14.323 1.00 0.00 C ATOM 367 O ASP A 24 -3.778 -4.027 -13.329 1.00 0.00 O ATOM 368 CB ASP A 24 -0.766 -4.906 -14.077 1.00 0.00 C ATOM 369 CG ASP A 24 0.145 -5.101 -15.298 1.00 0.00 C ATOM 370 OD1 ASP A 24 0.119 -6.198 -15.827 1.00 0.00 O ATOM 371 OD2 ASP A 24 0.816 -4.139 -15.630 1.00 0.00 O ATOM 0 H ASP A 24 -1.604 -5.386 -16.445 1.00 0.00 H new ATOM 0 HA ASP A 24 -2.497 -6.153 -13.718 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -0.777 -3.856 -13.783 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -0.380 -5.471 -13.228 1.00 0.00 H new ATOM 376 N GLN A 25 -3.202 -3.454 -15.380 1.00 0.00 N ATOM 377 CA GLN A 25 -4.105 -2.303 -15.369 1.00 0.00 C ATOM 378 C GLN A 25 -5.478 -2.797 -15.072 1.00 0.00 C ATOM 379 O GLN A 25 -6.284 -2.111 -14.479 1.00 0.00 O ATOM 380 CB GLN A 25 -4.101 -1.667 -16.754 1.00 0.00 C ATOM 381 CG GLN A 25 -4.940 -0.414 -16.719 1.00 0.00 C ATOM 382 CD GLN A 25 -4.294 0.613 -15.787 1.00 0.00 C ATOM 383 OE1 GLN A 25 -3.012 0.535 -15.544 1.00 0.00 O flip ATOM 384 NE2 GLN A 25 -4.949 1.497 -15.272 1.00 0.00 N flip ATOM 0 H GLN A 25 -2.668 -3.588 -16.239 1.00 0.00 H new ATOM 0 HA GLN A 25 -3.790 -1.573 -14.623 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -3.081 -1.429 -17.057 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -4.498 -2.366 -17.491 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -5.034 0.000 -17.723 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -5.947 -0.649 -16.375 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -5.950 1.564 -15.457 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -4.498 2.172 -14.655 1.00 0.00 H new ATOM 393 N VAL A 26 -5.730 -3.995 -15.508 1.00 0.00 N ATOM 394 CA VAL A 26 -7.040 -4.571 -15.266 1.00 0.00 C ATOM 395 C VAL A 26 -7.097 -5.046 -13.837 1.00 0.00 C ATOM 396 O VAL A 26 -7.920 -4.603 -13.066 1.00 0.00 O ATOM 397 CB VAL A 26 -7.244 -5.761 -16.215 1.00 0.00 C ATOM 398 CG1 VAL A 26 -8.555 -6.452 -15.864 1.00 0.00 C ATOM 399 CG2 VAL A 26 -7.316 -5.255 -17.653 1.00 0.00 C ATOM 0 H VAL A 26 -5.075 -4.586 -16.019 1.00 0.00 H new ATOM 0 HA VAL A 26 -7.821 -3.831 -15.441 1.00 0.00 H new ATOM 0 HB VAL A 26 -6.414 -6.460 -16.115 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -8.710 -7.299 -16.532 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -8.516 -6.805 -14.834 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -9.379 -5.747 -15.975 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -7.461 -6.098 -18.329 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -8.151 -4.562 -17.753 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -6.387 -4.743 -17.906 1.00 0.00 H new ATOM 409 N LEU A 27 -6.212 -5.936 -13.495 1.00 0.00 N ATOM 410 CA LEU A 27 -6.212 -6.437 -12.113 1.00 0.00 C ATOM 411 C LEU A 27 -5.960 -5.275 -11.152 1.00 0.00 C ATOM 412 O LEU A 27 -6.164 -5.389 -9.957 1.00 0.00 O ATOM 413 CB LEU A 27 -5.070 -7.472 -11.979 1.00 0.00 C ATOM 414 CG LEU A 27 -5.600 -8.882 -12.293 1.00 0.00 C ATOM 415 CD1 LEU A 27 -5.365 -9.186 -13.774 1.00 0.00 C ATOM 416 CD2 LEU A 27 -4.844 -9.911 -11.440 1.00 0.00 C ATOM 0 H LEU A 27 -5.500 -6.329 -14.110 1.00 0.00 H new ATOM 0 HA LEU A 27 -7.171 -6.896 -11.874 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -4.257 -7.220 -12.660 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -4.660 -7.445 -10.970 1.00 0.00 H new ATOM 0 HG LEU A 27 -6.665 -8.933 -12.069 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -5.738 -10.184 -14.004 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -5.891 -8.452 -14.384 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -4.298 -9.139 -13.990 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -5.217 -10.911 -11.660 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -3.780 -9.862 -11.670 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -4.998 -9.691 -10.384 1.00 0.00 H new ATOM 428 N LYS A 28 -5.546 -4.159 -11.708 1.00 0.00 N ATOM 429 CA LYS A 28 -5.272 -2.972 -10.857 1.00 0.00 C ATOM 430 C LYS A 28 -6.514 -2.125 -10.758 1.00 0.00 C ATOM 431 O LYS A 28 -6.875 -1.675 -9.697 1.00 0.00 O ATOM 432 CB LYS A 28 -4.145 -2.141 -11.502 1.00 0.00 C ATOM 433 CG LYS A 28 -3.964 -0.835 -10.725 1.00 0.00 C ATOM 434 CD LYS A 28 -2.652 -0.170 -11.159 1.00 0.00 C ATOM 435 CE LYS A 28 -2.899 0.658 -12.422 1.00 0.00 C ATOM 436 NZ LYS A 28 -4.013 1.624 -12.203 1.00 0.00 N ATOM 0 H LYS A 28 -5.389 -4.026 -12.707 1.00 0.00 H new ATOM 0 HA LYS A 28 -4.973 -3.298 -9.861 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -3.214 -2.709 -11.502 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -4.387 -1.927 -12.543 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -4.804 -0.166 -10.912 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -3.948 -1.034 -9.653 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -2.273 0.468 -10.361 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -1.892 -0.928 -11.350 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -1.991 1.196 -12.694 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -3.140 -0.002 -13.255 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -3.834 2.490 -12.751 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -4.909 1.197 -12.513 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -4.074 1.860 -11.192 1.00 0.00 H new ATOM 450 N ALA A 29 -7.146 -1.909 -11.870 1.00 0.00 N ATOM 451 CA ALA A 29 -8.370 -1.091 -11.841 1.00 0.00 C ATOM 452 C ALA A 29 -9.434 -1.809 -11.038 1.00 0.00 C ATOM 453 O ALA A 29 -10.288 -1.199 -10.458 1.00 0.00 O ATOM 454 CB ALA A 29 -8.885 -0.911 -13.275 1.00 0.00 C ATOM 0 H ALA A 29 -6.869 -2.261 -12.786 1.00 0.00 H new ATOM 0 HA ALA A 29 -8.150 -0.123 -11.391 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -9.792 -0.306 -13.263 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -8.124 -0.412 -13.875 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -9.106 -1.887 -13.708 1.00 0.00 H new ATOM 460 N LEU A 30 -9.342 -3.105 -11.005 1.00 0.00 N ATOM 461 CA LEU A 30 -10.336 -3.880 -10.251 1.00 0.00 C ATOM 462 C LEU A 30 -10.038 -3.829 -8.766 1.00 0.00 C ATOM 463 O LEU A 30 -10.919 -3.589 -7.954 1.00 0.00 O ATOM 464 CB LEU A 30 -10.256 -5.329 -10.735 1.00 0.00 C ATOM 465 CG LEU A 30 -10.677 -5.378 -12.208 1.00 0.00 C ATOM 466 CD1 LEU A 30 -10.213 -6.695 -12.823 1.00 0.00 C ATOM 467 CD2 LEU A 30 -12.196 -5.285 -12.306 1.00 0.00 C ATOM 0 H LEU A 30 -8.619 -3.654 -11.470 1.00 0.00 H new ATOM 0 HA LEU A 30 -11.331 -3.465 -10.412 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -9.242 -5.711 -10.619 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -10.907 -5.965 -10.134 1.00 0.00 H new ATOM 0 HG LEU A 30 -10.225 -4.543 -12.743 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -10.511 -6.732 -13.871 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -9.128 -6.767 -12.752 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -10.668 -7.527 -12.286 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -12.496 -5.320 -13.353 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -12.647 -6.121 -11.771 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -12.532 -4.348 -11.863 1.00 0.00 H new ATOM 479 N TYR A 31 -8.799 -4.039 -8.433 1.00 0.00 N ATOM 480 CA TYR A 31 -8.427 -4.008 -7.009 1.00 0.00 C ATOM 481 C TYR A 31 -8.428 -2.586 -6.444 1.00 0.00 C ATOM 482 O TYR A 31 -8.774 -2.373 -5.299 1.00 0.00 O ATOM 483 CB TYR A 31 -7.010 -4.593 -6.867 1.00 0.00 C ATOM 484 CG TYR A 31 -6.377 -4.075 -5.572 1.00 0.00 C ATOM 485 CD1 TYR A 31 -5.910 -2.777 -5.492 1.00 0.00 C ATOM 486 CD2 TYR A 31 -6.277 -4.890 -4.467 1.00 0.00 C ATOM 487 CE1 TYR A 31 -5.352 -2.306 -4.323 1.00 0.00 C ATOM 488 CE2 TYR A 31 -5.718 -4.419 -3.297 1.00 0.00 C ATOM 489 CZ TYR A 31 -5.253 -3.124 -3.216 1.00 0.00 C ATOM 490 OH TYR A 31 -4.698 -2.652 -2.044 1.00 0.00 O ATOM 0 H TYR A 31 -8.037 -4.229 -9.085 1.00 0.00 H new ATOM 0 HA TYR A 31 -9.161 -4.590 -6.452 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -7.053 -5.682 -6.854 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -6.399 -4.308 -7.723 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -5.983 -2.127 -6.351 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -6.639 -5.906 -4.516 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -4.990 -1.290 -4.273 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -5.644 -5.070 -2.438 1.00 0.00 H new ATOM 0 HH TYR A 31 -4.709 -3.361 -1.368 1.00 0.00 H new ATOM 500 N ASP A 32 -8.052 -1.644 -7.254 1.00 0.00 N ATOM 501 CA ASP A 32 -8.024 -0.239 -6.771 1.00 0.00 C ATOM 502 C ASP A 32 -9.393 0.447 -6.849 1.00 0.00 C ATOM 503 O ASP A 32 -9.600 1.466 -6.219 1.00 0.00 O ATOM 504 CB ASP A 32 -7.026 0.543 -7.637 1.00 0.00 C ATOM 505 CG ASP A 32 -6.994 2.002 -7.180 1.00 0.00 C ATOM 506 OD1 ASP A 32 -6.660 2.198 -6.023 1.00 0.00 O ATOM 507 OD2 ASP A 32 -7.305 2.836 -8.013 1.00 0.00 O ATOM 0 H ASP A 32 -7.764 -1.782 -8.223 1.00 0.00 H new ATOM 0 HA ASP A 32 -7.732 -0.252 -5.721 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -6.032 0.102 -7.555 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -7.314 0.485 -8.687 1.00 0.00 H new ATOM 512 N VAL A 33 -10.306 -0.102 -7.610 1.00 0.00 N ATOM 513 CA VAL A 33 -11.640 0.553 -7.696 1.00 0.00 C ATOM 514 C VAL A 33 -12.541 0.080 -6.570 1.00 0.00 C ATOM 515 O VAL A 33 -13.344 0.837 -6.059 1.00 0.00 O ATOM 516 CB VAL A 33 -12.298 0.206 -9.039 1.00 0.00 C ATOM 517 CG1 VAL A 33 -13.775 0.598 -8.986 1.00 0.00 C ATOM 518 CG2 VAL A 33 -11.609 1.004 -10.152 1.00 0.00 C ATOM 0 H VAL A 33 -10.189 -0.953 -8.161 1.00 0.00 H new ATOM 0 HA VAL A 33 -11.501 1.631 -7.613 1.00 0.00 H new ATOM 0 HB VAL A 33 -12.204 -0.862 -9.234 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -14.250 0.355 -9.936 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -14.268 0.050 -8.183 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -13.861 1.669 -8.801 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -12.070 0.764 -11.110 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -11.716 2.071 -9.955 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -10.551 0.745 -10.183 1.00 0.00 H new ATOM 528 N LEU A 34 -12.402 -1.164 -6.198 1.00 0.00 N ATOM 529 CA LEU A 34 -13.253 -1.678 -5.102 1.00 0.00 C ATOM 530 C LEU A 34 -12.620 -1.386 -3.748 1.00 0.00 C ATOM 531 O LEU A 34 -13.311 -1.191 -2.767 1.00 0.00 O ATOM 532 CB LEU A 34 -13.398 -3.200 -5.249 1.00 0.00 C ATOM 533 CG LEU A 34 -14.026 -3.528 -6.600 1.00 0.00 C ATOM 534 CD1 LEU A 34 -13.826 -5.018 -6.892 1.00 0.00 C ATOM 535 CD2 LEU A 34 -15.524 -3.224 -6.541 1.00 0.00 C ATOM 0 H LEU A 34 -11.746 -1.832 -6.601 1.00 0.00 H new ATOM 0 HA LEU A 34 -14.225 -1.188 -5.159 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -12.422 -3.678 -5.165 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -14.017 -3.596 -4.444 1.00 0.00 H new ATOM 0 HG LEU A 34 -13.559 -2.931 -7.383 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -14.272 -5.263 -7.856 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -12.760 -5.244 -6.917 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -14.304 -5.609 -6.111 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -15.980 -3.456 -7.503 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -15.988 -3.831 -5.764 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -15.672 -2.168 -6.314 1.00 0.00 H new ATOM 547 N ALA A 35 -11.314 -1.359 -3.719 1.00 0.00 N ATOM 548 CA ALA A 35 -10.621 -1.080 -2.437 1.00 0.00 C ATOM 549 C ALA A 35 -10.664 0.404 -2.096 1.00 0.00 C ATOM 550 O ALA A 35 -11.187 0.797 -1.072 1.00 0.00 O ATOM 551 CB ALA A 35 -9.151 -1.506 -2.579 1.00 0.00 C ATOM 0 H ALA A 35 -10.705 -1.517 -4.522 1.00 0.00 H new ATOM 0 HA ALA A 35 -11.122 -1.633 -1.642 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -8.623 -1.309 -1.646 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -9.101 -2.571 -2.806 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -8.685 -0.941 -3.386 1.00 0.00 H new ATOM 557 N LYS A 36 -10.109 1.200 -2.962 1.00 0.00 N ATOM 558 CA LYS A 36 -10.099 2.664 -2.716 1.00 0.00 C ATOM 559 C LYS A 36 -11.469 3.172 -2.268 1.00 0.00 C ATOM 560 O LYS A 36 -11.564 4.158 -1.562 1.00 0.00 O ATOM 561 CB LYS A 36 -9.722 3.368 -4.029 1.00 0.00 C ATOM 562 CG LYS A 36 -9.669 4.879 -3.790 1.00 0.00 C ATOM 563 CD LYS A 36 -8.916 5.547 -4.945 1.00 0.00 C ATOM 564 CE LYS A 36 -9.259 7.038 -4.972 1.00 0.00 C ATOM 565 NZ LYS A 36 -8.555 7.755 -3.871 1.00 0.00 N ATOM 0 H LYS A 36 -9.662 0.900 -3.829 1.00 0.00 H new ATOM 0 HA LYS A 36 -9.382 2.877 -1.923 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -8.756 3.009 -4.384 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -10.453 3.135 -4.804 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -10.679 5.283 -3.717 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -9.171 5.092 -2.844 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -7.842 5.411 -4.822 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -9.190 5.081 -5.892 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -8.974 7.466 -5.933 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -10.336 7.171 -4.871 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -8.798 8.766 -3.903 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -8.847 7.358 -2.955 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -7.527 7.643 -3.985 1.00 0.00 H new ATOM 579 N GLU A 37 -12.510 2.495 -2.680 1.00 0.00 N ATOM 580 CA GLU A 37 -13.871 2.942 -2.276 1.00 0.00 C ATOM 581 C GLU A 37 -14.263 2.384 -0.910 1.00 0.00 C ATOM 582 O GLU A 37 -14.339 3.111 0.060 1.00 0.00 O ATOM 583 CB GLU A 37 -14.878 2.442 -3.325 1.00 0.00 C ATOM 584 CG GLU A 37 -16.272 2.961 -2.964 1.00 0.00 C ATOM 585 CD GLU A 37 -16.253 4.491 -2.953 1.00 0.00 C ATOM 586 OE1 GLU A 37 -15.872 5.035 -3.977 1.00 0.00 O ATOM 587 OE2 GLU A 37 -16.619 5.030 -1.921 1.00 0.00 O ATOM 0 H GLU A 37 -12.476 1.664 -3.270 1.00 0.00 H new ATOM 0 HA GLU A 37 -13.874 4.030 -2.211 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -14.592 2.790 -4.318 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -14.878 1.352 -3.357 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -17.005 2.600 -3.685 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -16.572 2.582 -1.987 1.00 0.00 H new ATOM 594 N SER A 38 -14.505 1.108 -0.859 1.00 0.00 N ATOM 595 CA SER A 38 -14.895 0.491 0.436 1.00 0.00 C ATOM 596 C SER A 38 -14.436 -0.966 0.505 1.00 0.00 C ATOM 597 O SER A 38 -14.716 -1.755 -0.376 1.00 0.00 O ATOM 598 CB SER A 38 -16.422 0.559 0.544 1.00 0.00 C ATOM 599 OG SER A 38 -16.691 1.938 0.743 1.00 0.00 O ATOM 0 H SER A 38 -14.451 0.468 -1.651 1.00 0.00 H new ATOM 0 HA SER A 38 -14.423 1.028 1.258 1.00 0.00 H new ATOM 0 HB2 SER A 38 -16.903 0.185 -0.360 1.00 0.00 H new ATOM 0 HB3 SER A 38 -16.791 -0.043 1.374 1.00 0.00 H new ATOM 0 HG SER A 38 -17.658 2.075 0.822 1.00 0.00 H new ATOM 605 N GLU A 39 -13.735 -1.291 1.564 1.00 0.00 N ATOM 606 CA GLU A 39 -13.235 -2.685 1.728 1.00 0.00 C ATOM 607 C GLU A 39 -14.166 -3.542 2.593 1.00 0.00 C ATOM 608 O GLU A 39 -13.986 -4.739 2.691 1.00 0.00 O ATOM 609 CB GLU A 39 -11.864 -2.616 2.425 1.00 0.00 C ATOM 610 CG GLU A 39 -10.966 -1.621 1.684 1.00 0.00 C ATOM 611 CD GLU A 39 -9.684 -1.395 2.493 1.00 0.00 C ATOM 612 OE1 GLU A 39 -9.775 -0.655 3.459 1.00 0.00 O ATOM 613 OE2 GLU A 39 -8.686 -1.976 2.098 1.00 0.00 O ATOM 0 H GLU A 39 -13.490 -0.650 2.319 1.00 0.00 H new ATOM 0 HA GLU A 39 -13.178 -3.144 0.741 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -11.987 -2.308 3.463 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -11.400 -3.602 2.437 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -10.721 -2.003 0.693 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -11.491 -0.676 1.541 1.00 0.00 H new ATOM 620 N HIS A 40 -15.139 -2.924 3.205 1.00 0.00 N ATOM 621 CA HIS A 40 -16.074 -3.716 4.065 1.00 0.00 C ATOM 622 C HIS A 40 -17.211 -4.410 3.273 1.00 0.00 C ATOM 623 O HIS A 40 -17.441 -5.594 3.431 1.00 0.00 O ATOM 624 CB HIS A 40 -16.701 -2.762 5.103 1.00 0.00 C ATOM 625 CG HIS A 40 -16.243 -3.173 6.508 1.00 0.00 C ATOM 626 ND1 HIS A 40 -16.483 -4.276 7.041 1.00 0.00 N ATOM 627 CD2 HIS A 40 -15.509 -2.465 7.441 1.00 0.00 C ATOM 628 CE1 HIS A 40 -15.985 -4.348 8.204 1.00 0.00 C ATOM 629 NE2 HIS A 40 -15.339 -3.234 8.552 1.00 0.00 N ATOM 0 H HIS A 40 -15.328 -1.923 3.151 1.00 0.00 H new ATOM 0 HA HIS A 40 -15.490 -4.509 4.533 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -16.403 -1.734 4.897 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -17.788 -2.798 5.037 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -15.131 -1.462 7.310 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -16.074 -5.215 8.842 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -14.848 -3.016 9.419 1.00 0.00 H new ATOM 637 N PRO A 41 -17.895 -3.659 2.435 1.00 0.00 N ATOM 638 CA PRO A 41 -19.004 -4.200 1.627 1.00 0.00 C ATOM 639 C PRO A 41 -18.612 -5.364 0.681 1.00 0.00 C ATOM 640 O PRO A 41 -19.333 -6.338 0.577 1.00 0.00 O ATOM 641 CB PRO A 41 -19.500 -3.005 0.792 1.00 0.00 C ATOM 642 CG PRO A 41 -18.682 -1.756 1.231 1.00 0.00 C ATOM 643 CD PRO A 41 -17.621 -2.232 2.240 1.00 0.00 C ATOM 0 HA PRO A 41 -19.754 -4.630 2.291 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -19.364 -3.198 -0.272 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -20.566 -2.841 0.952 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -18.208 -1.285 0.370 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -19.335 -1.009 1.684 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -16.613 -2.073 1.857 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -17.696 -1.684 3.179 1.00 0.00 H new ATOM 651 N PRO A 42 -17.487 -5.242 0.008 1.00 0.00 N ATOM 652 CA PRO A 42 -17.034 -6.287 -0.913 1.00 0.00 C ATOM 653 C PRO A 42 -16.757 -7.604 -0.202 1.00 0.00 C ATOM 654 O PRO A 42 -16.642 -7.655 1.007 1.00 0.00 O ATOM 655 CB PRO A 42 -15.731 -5.747 -1.519 1.00 0.00 C ATOM 656 CG PRO A 42 -15.515 -4.316 -0.941 1.00 0.00 C ATOM 657 CD PRO A 42 -16.602 -4.087 0.123 1.00 0.00 C ATOM 0 HA PRO A 42 -17.801 -6.499 -1.658 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -14.892 -6.395 -1.267 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -15.795 -5.717 -2.607 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -14.521 -4.224 -0.502 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -15.585 -3.568 -1.730 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -16.170 -4.018 1.121 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -17.141 -3.157 -0.056 1.00 0.00 H new ATOM 665 N GLN A 43 -16.656 -8.649 -0.978 1.00 0.00 N ATOM 666 CA GLN A 43 -16.390 -9.986 -0.388 1.00 0.00 C ATOM 667 C GLN A 43 -14.897 -10.340 -0.416 1.00 0.00 C ATOM 668 O GLN A 43 -14.396 -10.974 0.492 1.00 0.00 O ATOM 669 CB GLN A 43 -17.153 -11.029 -1.218 1.00 0.00 C ATOM 670 CG GLN A 43 -16.728 -10.913 -2.684 1.00 0.00 C ATOM 671 CD GLN A 43 -17.843 -11.458 -3.577 1.00 0.00 C ATOM 672 OE1 GLN A 43 -17.699 -12.481 -4.217 1.00 0.00 O ATOM 673 NE2 GLN A 43 -18.970 -10.808 -3.646 1.00 0.00 N ATOM 0 H GLN A 43 -16.747 -8.632 -1.994 1.00 0.00 H new ATOM 0 HA GLN A 43 -16.713 -9.975 0.653 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -16.945 -12.032 -0.845 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -18.227 -10.871 -1.125 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -16.522 -9.872 -2.934 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -15.806 -11.470 -2.853 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -19.097 -9.949 -3.111 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -19.726 -11.158 -4.235 1.00 0.00 H new ATOM 682 N SER A 44 -14.216 -9.926 -1.452 1.00 0.00 N ATOM 683 CA SER A 44 -12.773 -10.235 -1.543 1.00 0.00 C ATOM 684 C SER A 44 -12.185 -9.559 -2.747 1.00 0.00 C ATOM 685 O SER A 44 -12.025 -10.164 -3.776 1.00 0.00 O ATOM 686 CB SER A 44 -12.610 -11.747 -1.697 1.00 0.00 C ATOM 687 OG SER A 44 -13.690 -12.130 -2.537 1.00 0.00 O ATOM 0 H SER A 44 -14.600 -9.391 -2.231 1.00 0.00 H new ATOM 0 HA SER A 44 -12.264 -9.883 -0.646 1.00 0.00 H new ATOM 0 HB2 SER A 44 -11.649 -12.000 -2.144 1.00 0.00 H new ATOM 0 HB3 SER A 44 -12.657 -12.253 -0.733 1.00 0.00 H new ATOM 0 HG SER A 44 -13.641 -11.632 -3.380 1.00 0.00 H new ATOM 693 N ILE A 45 -11.867 -8.313 -2.593 1.00 0.00 N ATOM 694 CA ILE A 45 -11.284 -7.562 -3.723 1.00 0.00 C ATOM 695 C ILE A 45 -10.267 -8.388 -4.482 1.00 0.00 C ATOM 696 O ILE A 45 -10.216 -8.351 -5.695 1.00 0.00 O ATOM 697 CB ILE A 45 -10.572 -6.339 -3.176 1.00 0.00 C ATOM 698 CG1 ILE A 45 -11.513 -5.510 -2.304 1.00 0.00 C ATOM 699 CG2 ILE A 45 -10.120 -5.507 -4.369 1.00 0.00 C ATOM 700 CD1 ILE A 45 -12.935 -5.611 -2.844 1.00 0.00 C ATOM 0 H ILE A 45 -11.986 -7.782 -1.731 1.00 0.00 H new ATOM 0 HA ILE A 45 -12.094 -7.293 -4.401 1.00 0.00 H new ATOM 0 HB ILE A 45 -9.725 -6.643 -2.561 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -11.478 -5.866 -1.274 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -11.191 -4.469 -2.292 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -9.602 -4.615 -4.016 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -9.445 -6.097 -4.989 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -10.989 -5.212 -4.957 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -13.604 -5.019 -2.220 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -12.964 -5.234 -3.866 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -13.255 -6.653 -2.832 1.00 0.00 H new ATOM 712 N LEU A 46 -9.473 -9.112 -3.765 1.00 0.00 N ATOM 713 CA LEU A 46 -8.454 -9.942 -4.439 1.00 0.00 C ATOM 714 C LEU A 46 -9.114 -11.090 -5.173 1.00 0.00 C ATOM 715 O LEU A 46 -8.880 -11.306 -6.342 1.00 0.00 O ATOM 716 CB LEU A 46 -7.504 -10.513 -3.370 1.00 0.00 C ATOM 717 CG LEU A 46 -6.061 -10.228 -3.780 1.00 0.00 C ATOM 718 CD1 LEU A 46 -5.116 -11.036 -2.888 1.00 0.00 C ATOM 719 CD2 LEU A 46 -5.861 -10.648 -5.237 1.00 0.00 C ATOM 0 H LEU A 46 -9.484 -9.166 -2.747 1.00 0.00 H new ATOM 0 HA LEU A 46 -7.906 -9.331 -5.156 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -7.715 -10.063 -2.400 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -7.660 -11.587 -3.264 1.00 0.00 H new ATOM 0 HG LEU A 46 -5.850 -9.164 -3.671 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -4.084 -10.836 -3.176 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -5.264 -10.749 -1.847 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -5.326 -12.099 -3.004 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -4.832 -10.447 -5.536 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -6.067 -11.713 -5.340 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -6.541 -10.083 -5.875 1.00 0.00 H new ATOM 731 N HIS A 47 -9.939 -11.790 -4.473 1.00 0.00 N ATOM 732 CA HIS A 47 -10.636 -12.930 -5.090 1.00 0.00 C ATOM 733 C HIS A 47 -11.736 -12.465 -6.035 1.00 0.00 C ATOM 734 O HIS A 47 -12.300 -13.253 -6.767 1.00 0.00 O ATOM 735 CB HIS A 47 -11.271 -13.751 -3.962 1.00 0.00 C ATOM 736 CG HIS A 47 -11.368 -15.214 -4.392 1.00 0.00 C ATOM 737 ND1 HIS A 47 -12.413 -15.894 -4.375 1.00 0.00 N ATOM 738 CD2 HIS A 47 -10.386 -16.059 -4.875 1.00 0.00 C ATOM 739 CE1 HIS A 47 -12.208 -17.074 -4.792 1.00 0.00 C ATOM 740 NE2 HIS A 47 -10.936 -17.277 -5.137 1.00 0.00 N ATOM 0 H HIS A 47 -10.163 -11.621 -3.492 1.00 0.00 H new ATOM 0 HA HIS A 47 -9.921 -13.517 -5.667 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -10.673 -13.666 -3.055 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -12.262 -13.363 -3.728 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -9.349 -15.795 -5.021 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -12.977 -17.829 -4.860 1.00 0.00 H new ATOM 0 HE2 HIS A 47 -10.493 -18.121 -5.501 1.00 0.00 H new ATOM 748 N THR A 48 -12.020 -11.196 -6.002 1.00 0.00 N ATOM 749 CA THR A 48 -13.080 -10.660 -6.889 1.00 0.00 C ATOM 750 C THR A 48 -12.473 -10.100 -8.154 1.00 0.00 C ATOM 751 O THR A 48 -12.992 -10.292 -9.236 1.00 0.00 O ATOM 752 CB THR A 48 -13.811 -9.536 -6.138 1.00 0.00 C ATOM 753 OG1 THR A 48 -14.823 -10.188 -5.399 1.00 0.00 O ATOM 754 CG2 THR A 48 -14.578 -8.613 -7.106 1.00 0.00 C ATOM 0 H THR A 48 -11.565 -10.510 -5.400 1.00 0.00 H new ATOM 0 HA THR A 48 -13.771 -11.459 -7.158 1.00 0.00 H new ATOM 0 HB THR A 48 -13.091 -8.957 -5.560 1.00 0.00 H new ATOM 0 HG1 THR A 48 -15.334 -9.525 -4.889 1.00 0.00 H new ATOM 0 HG21 THR A 48 -15.082 -7.830 -6.539 1.00 0.00 H new ATOM 0 HG22 THR A 48 -13.878 -8.159 -7.808 1.00 0.00 H new ATOM 0 HG23 THR A 48 -15.317 -9.196 -7.656 1.00 0.00 H new ATOM 762 N ALA A 49 -11.380 -9.413 -8.001 1.00 0.00 N ATOM 763 CA ALA A 49 -10.723 -8.832 -9.184 1.00 0.00 C ATOM 764 C ALA A 49 -10.030 -9.915 -9.991 1.00 0.00 C ATOM 765 O ALA A 49 -9.946 -9.832 -11.200 1.00 0.00 O ATOM 766 CB ALA A 49 -9.674 -7.815 -8.709 1.00 0.00 C ATOM 0 H ALA A 49 -10.919 -9.233 -7.109 1.00 0.00 H new ATOM 0 HA ALA A 49 -11.472 -8.350 -9.812 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -9.177 -7.374 -9.573 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -10.163 -7.030 -8.132 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -8.936 -8.318 -8.084 1.00 0.00 H new ATOM 772 N LYS A 50 -9.542 -10.919 -9.312 1.00 0.00 N ATOM 773 CA LYS A 50 -8.850 -12.014 -10.048 1.00 0.00 C ATOM 774 C LYS A 50 -9.826 -12.879 -10.812 1.00 0.00 C ATOM 775 O LYS A 50 -9.474 -13.476 -11.810 1.00 0.00 O ATOM 776 CB LYS A 50 -8.153 -12.922 -9.037 1.00 0.00 C ATOM 777 CG LYS A 50 -6.916 -13.545 -9.689 1.00 0.00 C ATOM 778 CD LYS A 50 -6.452 -14.740 -8.846 1.00 0.00 C ATOM 779 CE LYS A 50 -5.585 -15.668 -9.709 1.00 0.00 C ATOM 780 NZ LYS A 50 -5.565 -17.045 -9.141 1.00 0.00 N ATOM 0 H LYS A 50 -9.591 -11.027 -8.299 1.00 0.00 H new ATOM 0 HA LYS A 50 -8.150 -11.552 -10.744 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -7.865 -12.350 -8.155 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -8.835 -13.704 -8.702 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -7.148 -13.868 -10.704 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -6.118 -12.806 -9.765 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -5.884 -14.392 -7.983 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -7.314 -15.284 -8.461 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -5.973 -15.694 -10.727 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -4.569 -15.277 -9.765 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -4.974 -17.658 -9.738 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -5.173 -17.018 -8.178 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -6.534 -17.422 -9.110 1.00 0.00 H new ATOM 794 N ALA A 51 -11.038 -12.940 -10.342 1.00 0.00 N ATOM 795 CA ALA A 51 -12.027 -13.774 -11.047 1.00 0.00 C ATOM 796 C ALA A 51 -12.749 -13.020 -12.167 1.00 0.00 C ATOM 797 O ALA A 51 -13.002 -13.572 -13.219 1.00 0.00 O ATOM 798 CB ALA A 51 -13.072 -14.245 -10.027 1.00 0.00 C ATOM 0 H ALA A 51 -11.377 -12.454 -9.512 1.00 0.00 H new ATOM 0 HA ALA A 51 -11.493 -14.607 -11.504 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -13.815 -14.865 -10.528 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -12.582 -14.826 -9.246 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -13.562 -13.379 -9.582 1.00 0.00 H new ATOM 804 N ILE A 52 -13.069 -11.781 -11.925 1.00 0.00 N ATOM 805 CA ILE A 52 -13.777 -10.989 -12.971 1.00 0.00 C ATOM 806 C ILE A 52 -12.880 -10.691 -14.182 1.00 0.00 C ATOM 807 O ILE A 52 -13.237 -10.984 -15.299 1.00 0.00 O ATOM 808 CB ILE A 52 -14.232 -9.662 -12.335 1.00 0.00 C ATOM 809 CG1 ILE A 52 -15.646 -9.809 -11.796 1.00 0.00 C ATOM 810 CG2 ILE A 52 -14.242 -8.558 -13.407 1.00 0.00 C ATOM 811 CD1 ILE A 52 -15.612 -10.644 -10.518 1.00 0.00 C ATOM 0 H ILE A 52 -12.874 -11.284 -11.056 1.00 0.00 H new ATOM 0 HA ILE A 52 -14.624 -11.571 -13.333 1.00 0.00 H new ATOM 0 HB ILE A 52 -13.546 -9.405 -11.528 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -16.074 -8.828 -11.592 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -16.284 -10.287 -12.540 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -14.564 -7.618 -12.958 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -13.239 -8.440 -13.817 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -14.930 -8.833 -14.206 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -16.624 -10.752 -10.127 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -15.200 -11.629 -10.738 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -14.988 -10.147 -9.775 1.00 0.00 H new ATOM 823 N GLU A 53 -11.746 -10.114 -13.934 1.00 0.00 N ATOM 824 CA GLU A 53 -10.819 -9.787 -15.060 1.00 0.00 C ATOM 825 C GLU A 53 -10.745 -10.900 -16.093 1.00 0.00 C ATOM 826 O GLU A 53 -11.144 -10.726 -17.224 1.00 0.00 O ATOM 827 CB GLU A 53 -9.413 -9.600 -14.486 1.00 0.00 C ATOM 828 CG GLU A 53 -8.397 -9.612 -15.641 1.00 0.00 C ATOM 829 CD GLU A 53 -7.789 -11.011 -15.777 1.00 0.00 C ATOM 830 OE1 GLU A 53 -7.519 -11.590 -14.736 1.00 0.00 O ATOM 831 OE2 GLU A 53 -7.624 -11.421 -16.915 1.00 0.00 O ATOM 0 H GLU A 53 -11.414 -9.852 -13.006 1.00 0.00 H new ATOM 0 HA GLU A 53 -11.196 -8.888 -15.547 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -9.351 -8.659 -13.939 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -9.187 -10.396 -13.777 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -8.886 -9.325 -16.572 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -7.611 -8.880 -15.455 1.00 0.00 H new ATOM 838 N SER A 54 -10.216 -12.014 -15.675 1.00 0.00 N ATOM 839 CA SER A 54 -10.077 -13.186 -16.584 1.00 0.00 C ATOM 840 C SER A 54 -11.293 -13.409 -17.494 1.00 0.00 C ATOM 841 O SER A 54 -11.223 -14.199 -18.414 1.00 0.00 O ATOM 842 CB SER A 54 -9.892 -14.432 -15.708 1.00 0.00 C ATOM 843 OG SER A 54 -9.670 -15.481 -16.637 1.00 0.00 O ATOM 0 H SER A 54 -9.869 -12.165 -14.728 1.00 0.00 H new ATOM 0 HA SER A 54 -9.226 -12.996 -17.238 1.00 0.00 H new ATOM 0 HB2 SER A 54 -9.049 -14.318 -15.027 1.00 0.00 H new ATOM 0 HB3 SER A 54 -10.773 -14.622 -15.095 1.00 0.00 H new ATOM 0 HG SER A 54 -9.987 -15.206 -17.523 1.00 0.00 H new ATOM 849 N GLU A 55 -12.378 -12.728 -17.237 1.00 0.00 N ATOM 850 CA GLU A 55 -13.570 -12.932 -18.109 1.00 0.00 C ATOM 851 C GLU A 55 -13.586 -11.994 -19.304 1.00 0.00 C ATOM 852 O GLU A 55 -13.355 -12.416 -20.420 1.00 0.00 O ATOM 853 CB GLU A 55 -14.835 -12.682 -17.274 1.00 0.00 C ATOM 854 CG GLU A 55 -14.879 -13.679 -16.111 1.00 0.00 C ATOM 855 CD GLU A 55 -14.817 -15.103 -16.666 1.00 0.00 C ATOM 856 OE1 GLU A 55 -13.701 -15.566 -16.841 1.00 0.00 O ATOM 857 OE2 GLU A 55 -15.886 -15.647 -16.882 1.00 0.00 O ATOM 0 H GLU A 55 -12.490 -12.054 -16.479 1.00 0.00 H new ATOM 0 HA GLU A 55 -13.532 -13.953 -18.490 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -14.837 -11.661 -16.893 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -15.723 -12.792 -17.896 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -14.043 -13.503 -15.434 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -15.792 -13.541 -15.532 1.00 0.00 H new ATOM 864 N MET A 56 -13.844 -10.748 -19.067 1.00 0.00 N ATOM 865 CA MET A 56 -13.872 -9.805 -20.199 1.00 0.00 C ATOM 866 C MET A 56 -12.493 -9.675 -20.814 1.00 0.00 C ATOM 867 O MET A 56 -12.331 -9.066 -21.852 1.00 0.00 O ATOM 868 CB MET A 56 -14.330 -8.429 -19.682 1.00 0.00 C ATOM 869 CG MET A 56 -13.272 -7.864 -18.730 1.00 0.00 C ATOM 870 SD MET A 56 -12.444 -6.334 -19.222 1.00 0.00 S ATOM 871 CE MET A 56 -11.356 -6.207 -17.786 1.00 0.00 C ATOM 0 H MET A 56 -14.034 -10.347 -18.149 1.00 0.00 H new ATOM 0 HA MET A 56 -14.560 -10.175 -20.959 1.00 0.00 H new ATOM 0 HB2 MET A 56 -14.484 -7.747 -20.518 1.00 0.00 H new ATOM 0 HB3 MET A 56 -15.286 -8.522 -19.167 1.00 0.00 H new ATOM 0 HG2 MET A 56 -13.745 -7.695 -17.763 1.00 0.00 H new ATOM 0 HG3 MET A 56 -12.509 -8.628 -18.583 1.00 0.00 H new ATOM 0 HE1 MET A 56 -10.762 -5.296 -17.859 1.00 0.00 H new ATOM 0 HE2 MET A 56 -11.956 -6.178 -16.876 1.00 0.00 H new ATOM 0 HE3 MET A 56 -10.692 -7.071 -17.755 1.00 0.00 H new ATOM 881 N ASN A 57 -11.518 -10.257 -20.158 1.00 0.00 N ATOM 882 CA ASN A 57 -10.130 -10.176 -20.691 1.00 0.00 C ATOM 883 C ASN A 57 -9.742 -11.414 -21.504 1.00 0.00 C ATOM 884 O ASN A 57 -8.686 -11.427 -22.104 1.00 0.00 O ATOM 885 CB ASN A 57 -9.153 -10.013 -19.517 1.00 0.00 C ATOM 886 CG ASN A 57 -7.725 -10.272 -19.999 1.00 0.00 C ATOM 887 OD1 ASN A 57 -7.260 -11.396 -20.024 1.00 0.00 O ATOM 888 ND2 ASN A 57 -6.994 -9.265 -20.388 1.00 0.00 N ATOM 0 H ASN A 57 -11.625 -10.778 -19.287 1.00 0.00 H new ATOM 0 HA ASN A 57 -10.082 -9.318 -21.361 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -9.231 -9.008 -19.102 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -9.410 -10.708 -18.718 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -6.039 -9.422 -20.710 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -7.377 -8.320 -20.370 1.00 0.00 H new ATOM 895 N LYS A 58 -10.594 -12.444 -21.505 1.00 0.00 N ATOM 896 CA LYS A 58 -10.246 -13.681 -22.295 1.00 0.00 C ATOM 897 C LYS A 58 -9.455 -13.292 -23.540 1.00 0.00 C ATOM 898 O LYS A 58 -8.275 -13.569 -23.631 1.00 0.00 O ATOM 899 CB LYS A 58 -11.550 -14.385 -22.721 1.00 0.00 C ATOM 900 CG LYS A 58 -12.195 -15.047 -21.493 1.00 0.00 C ATOM 901 CD LYS A 58 -11.518 -16.402 -21.220 1.00 0.00 C ATOM 902 CE LYS A 58 -11.711 -17.325 -22.429 1.00 0.00 C ATOM 903 NZ LYS A 58 -11.945 -18.730 -21.985 1.00 0.00 N ATOM 0 H LYS A 58 -11.484 -12.474 -21.007 1.00 0.00 H new ATOM 0 HA LYS A 58 -9.643 -14.349 -21.680 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -12.238 -13.664 -23.163 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -11.340 -15.135 -23.484 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -12.095 -14.398 -20.623 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -13.262 -15.190 -21.663 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -10.455 -16.257 -21.026 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -11.945 -16.860 -20.328 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -12.556 -16.981 -23.025 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -10.831 -17.282 -23.070 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -12.073 -19.340 -22.817 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -11.126 -19.061 -21.436 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -12.799 -18.769 -21.392 1.00 0.00 H new ATOM 917 N VAL A 59 -10.106 -12.660 -24.478 1.00 0.00 N ATOM 918 CA VAL A 59 -9.376 -12.255 -25.701 1.00 0.00 C ATOM 919 C VAL A 59 -9.998 -10.985 -26.263 1.00 0.00 C ATOM 920 O VAL A 59 -10.743 -11.011 -27.222 1.00 0.00 O ATOM 921 CB VAL A 59 -9.495 -13.395 -26.738 1.00 0.00 C ATOM 922 CG1 VAL A 59 -10.930 -13.939 -26.732 1.00 0.00 C ATOM 923 CG2 VAL A 59 -9.165 -12.862 -28.138 1.00 0.00 C ATOM 0 H VAL A 59 -11.095 -12.412 -24.448 1.00 0.00 H new ATOM 0 HA VAL A 59 -8.327 -12.066 -25.471 1.00 0.00 H new ATOM 0 HB VAL A 59 -8.795 -14.190 -26.479 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -11.017 -14.743 -27.462 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -11.170 -14.322 -25.740 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -11.624 -13.139 -26.989 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -9.251 -13.670 -28.864 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -9.862 -12.065 -28.398 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -8.147 -12.471 -28.148 1.00 0.00 H new ATOM 933 N ASN A 60 -9.664 -9.892 -25.639 1.00 0.00 N ATOM 934 CA ASN A 60 -10.193 -8.584 -26.078 1.00 0.00 C ATOM 935 C ASN A 60 -9.325 -7.466 -25.527 1.00 0.00 C ATOM 936 O ASN A 60 -9.366 -6.341 -25.985 1.00 0.00 O ATOM 937 CB ASN A 60 -11.615 -8.415 -25.506 1.00 0.00 C ATOM 938 CG ASN A 60 -12.416 -9.695 -25.744 1.00 0.00 C ATOM 939 OD1 ASN A 60 -12.393 -10.635 -24.839 1.00 0.00 O flip ATOM 940 ND2 ASN A 60 -13.068 -9.853 -26.756 1.00 0.00 N flip ATOM 0 H ASN A 60 -9.039 -9.854 -24.834 1.00 0.00 H new ATOM 0 HA ASN A 60 -10.201 -8.542 -27.167 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -11.566 -8.197 -24.439 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -12.111 -7.569 -25.981 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -13.090 -9.122 -27.467 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -13.593 -10.716 -26.895 1.00 0.00 H new ATOM 947 N ASN A 61 -8.550 -7.824 -24.542 1.00 0.00 N ATOM 948 CA ASN A 61 -7.650 -6.848 -23.885 1.00 0.00 C ATOM 949 C ASN A 61 -6.971 -5.836 -24.811 1.00 0.00 C ATOM 950 O ASN A 61 -7.459 -4.731 -24.971 1.00 0.00 O ATOM 951 CB ASN A 61 -6.542 -7.672 -23.214 1.00 0.00 C ATOM 952 CG ASN A 61 -5.990 -8.691 -24.217 1.00 0.00 C ATOM 953 OD1 ASN A 61 -6.809 -9.538 -24.781 1.00 0.00 O flip ATOM 954 ND2 ASN A 61 -4.808 -8.722 -24.496 1.00 0.00 N flip ATOM 0 H ASN A 61 -8.505 -8.769 -24.161 1.00 0.00 H new ATOM 0 HA ASN A 61 -8.267 -6.257 -23.208 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -5.743 -7.016 -22.868 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -6.935 -8.185 -22.336 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -4.163 -8.063 -24.059 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -4.460 -9.407 -25.167 1.00 0.00 H new ATOM 961 N CYS A 62 -5.864 -6.226 -25.401 1.00 0.00 N ATOM 962 CA CYS A 62 -5.142 -5.284 -26.315 1.00 0.00 C ATOM 963 C CYS A 62 -5.237 -5.628 -27.813 1.00 0.00 C ATOM 964 O CYS A 62 -5.309 -4.743 -28.645 1.00 0.00 O ATOM 965 CB CYS A 62 -3.657 -5.271 -25.901 1.00 0.00 C ATOM 966 SG CYS A 62 -2.512 -4.313 -26.928 1.00 0.00 S ATOM 0 H CYS A 62 -5.434 -7.144 -25.291 1.00 0.00 H new ATOM 0 HA CYS A 62 -5.625 -4.313 -26.207 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -3.595 -4.889 -24.882 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -3.305 -6.302 -25.877 1.00 0.00 H new ATOM 0 HG CYS A 62 -1.310 -4.407 -26.441 1.00 0.00 H new ATOM 972 N ASP A 63 -5.235 -6.899 -28.131 1.00 0.00 N ATOM 973 CA ASP A 63 -5.314 -7.288 -29.577 1.00 0.00 C ATOM 974 C ASP A 63 -6.732 -7.409 -30.105 1.00 0.00 C ATOM 975 O ASP A 63 -7.060 -8.353 -30.794 1.00 0.00 O ATOM 976 CB ASP A 63 -4.619 -8.648 -29.743 1.00 0.00 C ATOM 977 CG ASP A 63 -4.111 -8.784 -31.181 1.00 0.00 C ATOM 978 OD1 ASP A 63 -4.924 -8.570 -32.065 1.00 0.00 O ATOM 979 OD2 ASP A 63 -2.938 -9.093 -31.315 1.00 0.00 O ATOM 0 H ASP A 63 -5.183 -7.672 -27.468 1.00 0.00 H new ATOM 0 HA ASP A 63 -4.832 -6.495 -30.148 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -3.789 -8.733 -29.042 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -5.314 -9.455 -29.513 1.00 0.00 H new ATOM 984 N THR A 64 -7.546 -6.461 -29.779 1.00 0.00 N ATOM 985 CA THR A 64 -8.939 -6.512 -30.263 1.00 0.00 C ATOM 986 C THR A 64 -9.503 -5.122 -30.378 1.00 0.00 C ATOM 987 O THR A 64 -9.693 -4.599 -31.459 1.00 0.00 O ATOM 988 CB THR A 64 -9.768 -7.296 -29.280 1.00 0.00 C ATOM 989 OG1 THR A 64 -9.074 -8.511 -29.092 1.00 0.00 O ATOM 990 CG2 THR A 64 -11.112 -7.704 -29.904 1.00 0.00 C ATOM 0 H THR A 64 -7.309 -5.655 -29.200 1.00 0.00 H new ATOM 0 HA THR A 64 -8.959 -6.987 -31.244 1.00 0.00 H new ATOM 0 HB THR A 64 -9.931 -6.706 -28.378 1.00 0.00 H new ATOM 0 HG1 THR A 64 -8.552 -8.717 -29.895 1.00 0.00 H new ATOM 0 HG21 THR A 64 -11.694 -8.269 -29.176 1.00 0.00 H new ATOM 0 HG22 THR A 64 -11.664 -6.810 -30.195 1.00 0.00 H new ATOM 0 HG23 THR A 64 -10.932 -8.322 -30.784 1.00 0.00 H new ATOM 998 N ASN A 65 -9.760 -4.554 -29.255 1.00 0.00 N ATOM 999 CA ASN A 65 -10.314 -3.200 -29.220 1.00 0.00 C ATOM 1000 C ASN A 65 -9.850 -2.517 -27.956 1.00 0.00 C ATOM 1001 O ASN A 65 -10.638 -2.172 -27.116 1.00 0.00 O ATOM 1002 CB ASN A 65 -11.841 -3.306 -29.206 1.00 0.00 C ATOM 1003 CG ASN A 65 -12.246 -4.483 -28.311 1.00 0.00 C ATOM 1004 OD1 ASN A 65 -11.589 -4.786 -27.334 1.00 0.00 O ATOM 1005 ND2 ASN A 65 -13.311 -5.175 -28.611 1.00 0.00 N ATOM 0 H ASN A 65 -9.606 -4.981 -28.341 1.00 0.00 H new ATOM 0 HA ASN A 65 -9.985 -2.628 -30.088 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -12.280 -2.380 -28.834 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -12.218 -3.454 -30.218 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -13.587 -5.964 -28.027 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -13.867 -4.926 -29.429 1.00 0.00 H new ATOM 1012 N GLU A 66 -8.562 -2.341 -27.856 1.00 0.00 N ATOM 1013 CA GLU A 66 -7.994 -1.682 -26.648 1.00 0.00 C ATOM 1014 C GLU A 66 -8.845 -0.503 -26.253 1.00 0.00 C ATOM 1015 O GLU A 66 -8.881 -0.101 -25.103 1.00 0.00 O ATOM 1016 CB GLU A 66 -6.583 -1.181 -26.992 1.00 0.00 C ATOM 1017 CG GLU A 66 -6.677 -0.186 -28.152 1.00 0.00 C ATOM 1018 CD GLU A 66 -5.291 0.394 -28.440 1.00 0.00 C ATOM 1019 OE1 GLU A 66 -4.449 -0.390 -28.847 1.00 0.00 O ATOM 1020 OE2 GLU A 66 -5.152 1.589 -28.240 1.00 0.00 O ATOM 0 H GLU A 66 -7.879 -2.625 -28.558 1.00 0.00 H new ATOM 0 HA GLU A 66 -7.964 -2.393 -25.822 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -6.130 -0.704 -26.123 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -5.942 -2.019 -27.266 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -7.067 -0.683 -29.040 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -7.373 0.615 -27.903 1.00 0.00 H new ATOM 1027 N ALA A 67 -9.531 0.012 -27.216 1.00 0.00 N ATOM 1028 CA ALA A 67 -10.398 1.161 -26.964 1.00 0.00 C ATOM 1029 C ALA A 67 -11.676 0.709 -26.300 1.00 0.00 C ATOM 1030 O ALA A 67 -12.137 1.306 -25.348 1.00 0.00 O ATOM 1031 CB ALA A 67 -10.731 1.773 -28.319 1.00 0.00 C ATOM 0 H ALA A 67 -9.524 -0.323 -28.179 1.00 0.00 H new ATOM 0 HA ALA A 67 -9.902 1.879 -26.311 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -11.379 2.638 -28.178 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -9.811 2.086 -28.813 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -11.241 1.034 -28.937 1.00 0.00 H new ATOM 1037 N ALA A 68 -12.219 -0.350 -26.813 1.00 0.00 N ATOM 1038 CA ALA A 68 -13.468 -0.875 -26.241 1.00 0.00 C ATOM 1039 C ALA A 68 -13.171 -1.821 -25.096 1.00 0.00 C ATOM 1040 O ALA A 68 -14.061 -2.230 -24.381 1.00 0.00 O ATOM 1041 CB ALA A 68 -14.211 -1.643 -27.337 1.00 0.00 C ATOM 0 H ALA A 68 -11.847 -0.873 -27.606 1.00 0.00 H new ATOM 0 HA ALA A 68 -14.070 -0.048 -25.866 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -15.142 -2.042 -26.934 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -14.433 -0.971 -28.166 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -13.588 -2.464 -27.692 1.00 0.00 H new ATOM 1047 N TYR A 69 -11.924 -2.155 -24.939 1.00 0.00 N ATOM 1048 CA TYR A 69 -11.568 -3.070 -23.846 1.00 0.00 C ATOM 1049 C TYR A 69 -11.492 -2.298 -22.546 1.00 0.00 C ATOM 1050 O TYR A 69 -12.177 -2.606 -21.599 1.00 0.00 O ATOM 1051 CB TYR A 69 -10.183 -3.700 -24.120 1.00 0.00 C ATOM 1052 CG TYR A 69 -9.794 -4.525 -22.890 1.00 0.00 C ATOM 1053 CD1 TYR A 69 -10.508 -5.660 -22.560 1.00 0.00 C ATOM 1054 CD2 TYR A 69 -8.757 -4.129 -22.065 1.00 0.00 C ATOM 1055 CE1 TYR A 69 -10.201 -6.379 -21.427 1.00 0.00 C ATOM 1056 CE2 TYR A 69 -8.451 -4.853 -20.929 1.00 0.00 C ATOM 1057 CZ TYR A 69 -9.170 -5.983 -20.603 1.00 0.00 C ATOM 1058 OH TYR A 69 -8.861 -6.707 -19.467 1.00 0.00 O ATOM 0 H TYR A 69 -11.149 -1.833 -25.518 1.00 0.00 H new ATOM 0 HA TYR A 69 -12.326 -3.851 -23.779 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -10.219 -4.331 -25.008 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -9.441 -2.924 -24.310 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -11.316 -5.987 -23.198 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -8.183 -3.248 -22.311 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -10.773 -7.261 -21.182 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -7.641 -4.531 -20.291 1.00 0.00 H new ATOM 0 HH TYR A 69 -7.893 -6.852 -19.425 1.00 0.00 H new ATOM 1068 N LYS A 70 -10.664 -1.283 -22.534 1.00 0.00 N ATOM 1069 CA LYS A 70 -10.523 -0.469 -21.299 1.00 0.00 C ATOM 1070 C LYS A 70 -11.729 0.440 -21.091 1.00 0.00 C ATOM 1071 O LYS A 70 -12.139 0.681 -19.971 1.00 0.00 O ATOM 1072 CB LYS A 70 -9.272 0.408 -21.438 1.00 0.00 C ATOM 1073 CG LYS A 70 -9.608 1.615 -22.316 1.00 0.00 C ATOM 1074 CD LYS A 70 -8.317 2.350 -22.677 1.00 0.00 C ATOM 1075 CE LYS A 70 -8.617 3.842 -22.832 1.00 0.00 C ATOM 1076 NZ LYS A 70 -9.098 4.414 -21.544 1.00 0.00 N ATOM 0 H LYS A 70 -10.086 -0.989 -23.321 1.00 0.00 H new ATOM 0 HA LYS A 70 -10.446 -1.143 -20.446 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -8.933 0.739 -20.456 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -8.457 -0.165 -21.881 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -10.120 1.290 -23.221 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -10.287 2.285 -21.789 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -7.567 2.196 -21.901 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -7.904 1.951 -23.603 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -7.719 4.368 -23.157 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -9.370 3.989 -23.606 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -8.853 5.424 -21.500 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -10.130 4.305 -21.480 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -8.647 3.913 -20.752 1.00 0.00 H new ATOM 1090 N ALA A 71 -12.283 0.931 -22.168 1.00 0.00 N ATOM 1091 CA ALA A 71 -13.456 1.822 -22.025 1.00 0.00 C ATOM 1092 C ALA A 71 -14.640 1.067 -21.448 1.00 0.00 C ATOM 1093 O ALA A 71 -15.056 1.313 -20.333 1.00 0.00 O ATOM 1094 CB ALA A 71 -13.840 2.353 -23.412 1.00 0.00 C ATOM 0 H ALA A 71 -11.975 0.754 -23.124 1.00 0.00 H new ATOM 0 HA ALA A 71 -13.198 2.639 -21.351 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -14.704 3.012 -23.323 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -13.002 2.908 -23.834 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -14.087 1.517 -24.066 1.00 0.00 H new ATOM 1100 N ARG A 72 -15.158 0.157 -22.215 1.00 0.00 N ATOM 1101 CA ARG A 72 -16.314 -0.624 -21.731 1.00 0.00 C ATOM 1102 C ARG A 72 -15.978 -1.356 -20.435 1.00 0.00 C ATOM 1103 O ARG A 72 -16.858 -1.685 -19.665 1.00 0.00 O ATOM 1104 CB ARG A 72 -16.689 -1.646 -22.808 1.00 0.00 C ATOM 1105 CG ARG A 72 -16.902 -0.912 -24.139 1.00 0.00 C ATOM 1106 CD ARG A 72 -17.978 -1.637 -24.947 1.00 0.00 C ATOM 1107 NE ARG A 72 -18.076 -1.012 -26.295 1.00 0.00 N ATOM 1108 CZ ARG A 72 -18.291 0.273 -26.393 1.00 0.00 C ATOM 1109 NH1 ARG A 72 -19.304 0.793 -25.754 1.00 0.00 N ATOM 1110 NH2 ARG A 72 -17.490 0.990 -27.130 1.00 0.00 N ATOM 0 H ARG A 72 -14.831 -0.077 -23.152 1.00 0.00 H new ATOM 0 HA ARG A 72 -17.145 0.053 -21.532 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -15.900 -2.391 -22.911 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -17.596 -2.179 -22.522 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -17.202 0.120 -23.955 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -15.969 -0.877 -24.702 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -17.731 -2.695 -25.040 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -18.938 -1.578 -24.434 1.00 0.00 H new ATOM 0 HE ARG A 72 -17.976 -1.582 -27.135 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -19.911 0.198 -25.191 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -19.488 1.794 -25.818 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -16.712 0.546 -27.618 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -17.641 1.995 -27.219 1.00 0.00 H new ATOM 1124 N TYR A 73 -14.713 -1.601 -20.211 1.00 0.00 N ATOM 1125 CA TYR A 73 -14.326 -2.311 -18.965 1.00 0.00 C ATOM 1126 C TYR A 73 -14.735 -1.507 -17.739 1.00 0.00 C ATOM 1127 O TYR A 73 -15.662 -1.858 -17.045 1.00 0.00 O ATOM 1128 CB TYR A 73 -12.792 -2.478 -18.954 1.00 0.00 C ATOM 1129 CG TYR A 73 -12.287 -2.508 -17.511 1.00 0.00 C ATOM 1130 CD1 TYR A 73 -12.658 -3.528 -16.659 1.00 0.00 C ATOM 1131 CD2 TYR A 73 -11.463 -1.507 -17.039 1.00 0.00 C ATOM 1132 CE1 TYR A 73 -12.210 -3.549 -15.357 1.00 0.00 C ATOM 1133 CE2 TYR A 73 -11.014 -1.527 -15.737 1.00 0.00 C ATOM 1134 CZ TYR A 73 -11.385 -2.549 -14.883 1.00 0.00 C ATOM 1135 OH TYR A 73 -10.940 -2.570 -13.578 1.00 0.00 O ATOM 0 H TYR A 73 -13.944 -1.343 -20.829 1.00 0.00 H new ATOM 0 HA TYR A 73 -14.827 -3.279 -18.937 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -12.513 -3.399 -19.466 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -12.323 -1.657 -19.496 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -13.305 -4.316 -17.016 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -11.168 -0.702 -17.695 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -12.507 -4.354 -14.701 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -10.367 -0.739 -15.381 1.00 0.00 H new ATOM 0 HH TYR A 73 -11.370 -1.848 -13.074 1.00 0.00 H new ATOM 1145 N ARG A 74 -14.044 -0.422 -17.519 1.00 0.00 N ATOM 1146 CA ARG A 74 -14.360 0.435 -16.344 1.00 0.00 C ATOM 1147 C ARG A 74 -15.794 0.957 -16.389 1.00 0.00 C ATOM 1148 O ARG A 74 -16.439 1.086 -15.368 1.00 0.00 O ATOM 1149 CB ARG A 74 -13.404 1.638 -16.357 1.00 0.00 C ATOM 1150 CG ARG A 74 -13.860 2.650 -15.305 1.00 0.00 C ATOM 1151 CD ARG A 74 -12.847 3.794 -15.237 1.00 0.00 C ATOM 1152 NE ARG A 74 -11.470 3.225 -15.193 1.00 0.00 N ATOM 1153 CZ ARG A 74 -10.494 3.863 -15.779 1.00 0.00 C ATOM 1154 NH1 ARG A 74 -9.919 4.849 -15.146 1.00 0.00 N ATOM 1155 NH2 ARG A 74 -10.123 3.493 -16.976 1.00 0.00 N ATOM 0 H ARG A 74 -13.275 -0.093 -18.103 1.00 0.00 H new ATOM 0 HA ARG A 74 -14.246 -0.164 -15.441 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -12.385 1.311 -16.148 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -13.394 2.100 -17.344 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -14.847 3.037 -15.559 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -13.947 2.167 -14.332 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -12.957 4.446 -16.104 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -13.029 4.406 -14.353 1.00 0.00 H new ATOM 0 HE ARG A 74 -11.292 2.345 -14.709 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -10.234 5.108 -14.211 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -9.154 5.361 -15.586 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -10.595 2.716 -17.439 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -9.362 3.981 -17.448 1.00 0.00 H new ATOM 1169 N ILE A 75 -16.266 1.247 -17.566 1.00 0.00 N ATOM 1170 CA ILE A 75 -17.655 1.762 -17.689 1.00 0.00 C ATOM 1171 C ILE A 75 -18.676 0.749 -17.190 1.00 0.00 C ATOM 1172 O ILE A 75 -19.493 1.050 -16.342 1.00 0.00 O ATOM 1173 CB ILE A 75 -17.932 2.041 -19.164 1.00 0.00 C ATOM 1174 CG1 ILE A 75 -17.112 3.236 -19.624 1.00 0.00 C ATOM 1175 CG2 ILE A 75 -19.423 2.376 -19.335 1.00 0.00 C ATOM 1176 CD1 ILE A 75 -17.114 3.294 -21.155 1.00 0.00 C ATOM 0 H ILE A 75 -15.754 1.151 -18.443 1.00 0.00 H new ATOM 0 HA ILE A 75 -17.745 2.664 -17.084 1.00 0.00 H new ATOM 0 HB ILE A 75 -17.666 1.164 -19.754 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -17.528 4.156 -19.213 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -16.090 3.155 -19.253 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -19.633 2.577 -20.386 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -20.026 1.532 -19.000 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -19.669 3.256 -18.741 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -16.527 4.150 -21.487 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -16.679 2.378 -21.554 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -18.138 3.395 -21.514 1.00 0.00 H new ATOM 1188 N ILE A 76 -18.609 -0.432 -17.722 1.00 0.00 N ATOM 1189 CA ILE A 76 -19.565 -1.482 -17.297 1.00 0.00 C ATOM 1190 C ILE A 76 -19.059 -2.245 -16.075 1.00 0.00 C ATOM 1191 O ILE A 76 -19.785 -3.012 -15.481 1.00 0.00 O ATOM 1192 CB ILE A 76 -19.731 -2.447 -18.458 1.00 0.00 C ATOM 1193 CG1 ILE A 76 -20.016 -1.637 -19.714 1.00 0.00 C ATOM 1194 CG2 ILE A 76 -20.935 -3.375 -18.167 1.00 0.00 C ATOM 1195 CD1 ILE A 76 -20.361 -2.574 -20.855 1.00 0.00 C ATOM 0 H ILE A 76 -17.934 -0.716 -18.432 1.00 0.00 H new ATOM 0 HA ILE A 76 -20.512 -1.016 -17.023 1.00 0.00 H new ATOM 0 HB ILE A 76 -18.830 -3.045 -18.592 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -20.840 -0.947 -19.535 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -19.146 -1.034 -19.975 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -21.065 -4.073 -18.994 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -20.752 -3.931 -17.248 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -21.838 -2.775 -18.054 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -20.565 -1.993 -21.754 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -19.523 -3.246 -21.040 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -21.243 -3.158 -20.592 1.00 0.00 H new ATOM 1207 N TYR A 77 -17.822 -2.010 -15.714 1.00 0.00 N ATOM 1208 CA TYR A 77 -17.257 -2.719 -14.529 1.00 0.00 C ATOM 1209 C TYR A 77 -18.266 -2.801 -13.397 1.00 0.00 C ATOM 1210 O TYR A 77 -18.546 -3.864 -12.886 1.00 0.00 O ATOM 1211 CB TYR A 77 -16.025 -1.941 -14.023 1.00 0.00 C ATOM 1212 CG TYR A 77 -15.489 -2.578 -12.729 1.00 0.00 C ATOM 1213 CD1 TYR A 77 -15.389 -3.957 -12.596 1.00 0.00 C ATOM 1214 CD2 TYR A 77 -15.061 -1.779 -11.688 1.00 0.00 C ATOM 1215 CE1 TYR A 77 -14.870 -4.511 -11.451 1.00 0.00 C ATOM 1216 CE2 TYR A 77 -14.539 -2.339 -10.542 1.00 0.00 C ATOM 1217 CZ TYR A 77 -14.440 -3.708 -10.414 1.00 0.00 C ATOM 1218 OH TYR A 77 -13.910 -4.264 -9.275 1.00 0.00 O ATOM 0 H TYR A 77 -17.186 -1.365 -16.184 1.00 0.00 H new ATOM 0 HA TYR A 77 -16.990 -3.731 -14.834 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -15.247 -1.941 -14.786 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -16.293 -0.900 -13.841 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -15.722 -4.598 -13.399 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -15.136 -0.705 -11.772 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -14.798 -5.585 -11.361 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -14.205 -1.700 -9.738 1.00 0.00 H new ATOM 0 HH TYR A 77 -12.975 -4.511 -9.436 1.00 0.00 H new ATOM 1228 N SER A 78 -18.795 -1.682 -13.025 1.00 0.00 N ATOM 1229 CA SER A 78 -19.785 -1.684 -11.929 1.00 0.00 C ATOM 1230 C SER A 78 -20.858 -2.740 -12.162 1.00 0.00 C ATOM 1231 O SER A 78 -21.193 -3.495 -11.271 1.00 0.00 O ATOM 1232 CB SER A 78 -20.443 -0.302 -11.873 1.00 0.00 C ATOM 1233 OG SER A 78 -21.159 -0.307 -10.649 1.00 0.00 O ATOM 0 H SER A 78 -18.587 -0.769 -13.430 1.00 0.00 H new ATOM 0 HA SER A 78 -19.279 -1.914 -10.991 1.00 0.00 H new ATOM 0 HB2 SER A 78 -19.699 0.494 -11.896 1.00 0.00 H new ATOM 0 HB3 SER A 78 -21.107 -0.142 -12.722 1.00 0.00 H new ATOM 0 HG SER A 78 -21.614 0.553 -10.533 1.00 0.00 H new ATOM 1239 N ASN A 79 -21.378 -2.780 -13.356 1.00 0.00 N ATOM 1240 CA ASN A 79 -22.428 -3.785 -13.651 1.00 0.00 C ATOM 1241 C ASN A 79 -21.864 -5.192 -13.546 1.00 0.00 C ATOM 1242 O ASN A 79 -22.522 -6.091 -13.062 1.00 0.00 O ATOM 1243 CB ASN A 79 -22.939 -3.557 -15.082 1.00 0.00 C ATOM 1244 CG ASN A 79 -23.887 -2.356 -15.093 1.00 0.00 C ATOM 1245 OD1 ASN A 79 -24.410 -1.956 -14.072 1.00 0.00 O ATOM 1246 ND2 ASN A 79 -24.133 -1.752 -16.224 1.00 0.00 N ATOM 0 H ASN A 79 -21.124 -2.167 -14.130 1.00 0.00 H new ATOM 0 HA ASN A 79 -23.239 -3.676 -12.931 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -22.101 -3.380 -15.756 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -23.456 -4.447 -15.442 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -24.761 -0.949 -16.247 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -23.697 -2.083 -17.084 1.00 0.00 H new ATOM 1253 N VAL A 80 -20.652 -5.363 -14.003 1.00 0.00 N ATOM 1254 CA VAL A 80 -20.041 -6.710 -13.929 1.00 0.00 C ATOM 1255 C VAL A 80 -20.017 -7.178 -12.487 1.00 0.00 C ATOM 1256 O VAL A 80 -20.296 -8.323 -12.195 1.00 0.00 O ATOM 1257 CB VAL A 80 -18.599 -6.631 -14.455 1.00 0.00 C ATOM 1258 CG1 VAL A 80 -17.950 -8.011 -14.345 1.00 0.00 C ATOM 1259 CG2 VAL A 80 -18.623 -6.199 -15.924 1.00 0.00 C ATOM 0 H VAL A 80 -20.070 -4.635 -14.418 1.00 0.00 H new ATOM 0 HA VAL A 80 -20.622 -7.410 -14.529 1.00 0.00 H new ATOM 0 HB VAL A 80 -18.030 -5.909 -13.869 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -16.926 -7.962 -14.717 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -17.943 -8.328 -13.302 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -18.518 -8.728 -14.938 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -17.603 -6.141 -16.303 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -19.186 -6.927 -16.508 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -19.097 -5.221 -16.008 1.00 0.00 H new ATOM 1269 N ILE A 81 -19.682 -6.275 -11.605 1.00 0.00 N ATOM 1270 CA ILE A 81 -19.634 -6.637 -10.176 1.00 0.00 C ATOM 1271 C ILE A 81 -21.041 -6.932 -9.681 1.00 0.00 C ATOM 1272 O ILE A 81 -21.233 -7.477 -8.613 1.00 0.00 O ATOM 1273 CB ILE A 81 -19.068 -5.443 -9.404 1.00 0.00 C ATOM 1274 CG1 ILE A 81 -17.652 -5.147 -9.881 1.00 0.00 C ATOM 1275 CG2 ILE A 81 -19.015 -5.793 -7.909 1.00 0.00 C ATOM 1276 CD1 ILE A 81 -16.789 -6.405 -9.721 1.00 0.00 C ATOM 0 H ILE A 81 -19.442 -5.307 -11.820 1.00 0.00 H new ATOM 0 HA ILE A 81 -19.010 -7.519 -10.029 1.00 0.00 H new ATOM 0 HB ILE A 81 -19.703 -4.573 -9.570 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -17.666 -4.832 -10.924 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -17.227 -4.325 -9.306 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -18.613 -4.947 -7.351 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -20.020 -6.018 -7.552 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -18.375 -6.663 -7.761 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -15.775 -6.196 -10.062 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -16.766 -6.699 -8.672 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -17.212 -7.215 -10.316 1.00 0.00 H new ATOM 1288 N SER A 82 -22.004 -6.555 -10.484 1.00 0.00 N ATOM 1289 CA SER A 82 -23.417 -6.790 -10.106 1.00 0.00 C ATOM 1290 C SER A 82 -23.938 -8.083 -10.733 1.00 0.00 C ATOM 1291 O SER A 82 -24.750 -8.773 -10.146 1.00 0.00 O ATOM 1292 CB SER A 82 -24.255 -5.614 -10.630 1.00 0.00 C ATOM 1293 OG SER A 82 -25.165 -5.335 -9.574 1.00 0.00 O ATOM 0 H SER A 82 -21.866 -6.095 -11.384 1.00 0.00 H new ATOM 0 HA SER A 82 -23.490 -6.874 -9.022 1.00 0.00 H new ATOM 0 HB2 SER A 82 -23.630 -4.750 -10.856 1.00 0.00 H new ATOM 0 HB3 SER A 82 -24.780 -5.877 -11.548 1.00 0.00 H new ATOM 0 HG SER A 82 -25.743 -4.586 -9.830 1.00 0.00 H new ATOM 1299 N LYS A 83 -23.459 -8.384 -11.921 1.00 0.00 N ATOM 1300 CA LYS A 83 -23.909 -9.628 -12.614 1.00 0.00 C ATOM 1301 C LYS A 83 -22.720 -10.387 -13.200 1.00 0.00 C ATOM 1302 O LYS A 83 -21.733 -10.610 -12.528 1.00 0.00 O ATOM 1303 CB LYS A 83 -24.860 -9.229 -13.760 1.00 0.00 C ATOM 1304 CG LYS A 83 -26.114 -8.577 -13.167 1.00 0.00 C ATOM 1305 CD LYS A 83 -27.246 -8.626 -14.197 1.00 0.00 C ATOM 1306 CE LYS A 83 -28.206 -7.458 -13.946 1.00 0.00 C ATOM 1307 NZ LYS A 83 -29.503 -7.687 -14.647 1.00 0.00 N ATOM 0 H LYS A 83 -22.780 -7.822 -12.434 1.00 0.00 H new ATOM 0 HA LYS A 83 -24.412 -10.274 -11.894 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -24.361 -8.537 -14.439 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -25.134 -10.107 -14.345 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -26.412 -9.097 -12.257 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -25.904 -7.544 -12.889 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -26.838 -8.567 -15.206 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -27.780 -9.573 -14.124 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -28.379 -7.346 -12.876 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -27.756 -6.529 -14.295 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -30.141 -6.886 -14.466 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -29.335 -7.772 -15.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -29.938 -8.563 -14.294 1.00 0.00 H new ATOM 1321 N ASN A 84 -22.834 -10.770 -14.448 1.00 0.00 N ATOM 1322 CA ASN A 84 -21.717 -11.515 -15.091 1.00 0.00 C ATOM 1323 C ASN A 84 -21.884 -11.562 -16.610 1.00 0.00 C ATOM 1324 O ASN A 84 -21.683 -12.589 -17.226 1.00 0.00 O ATOM 1325 CB ASN A 84 -21.726 -12.955 -14.551 1.00 0.00 C ATOM 1326 CG ASN A 84 -23.102 -13.578 -14.792 1.00 0.00 C ATOM 1327 OD1 ASN A 84 -23.341 -14.167 -15.932 1.00 0.00 O flip ATOM 1328 ND2 ASN A 84 -23.973 -13.536 -13.946 1.00 0.00 N flip ATOM 0 H ASN A 84 -23.646 -10.599 -15.042 1.00 0.00 H new ATOM 0 HA ASN A 84 -20.779 -11.009 -14.863 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -20.955 -13.546 -15.046 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -21.495 -12.957 -13.486 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -23.794 -13.078 -13.052 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -24.883 -13.959 -14.129 1.00 0.00 H new ATOM 1335 N ASN A 85 -22.248 -10.446 -17.186 1.00 0.00 N ATOM 1336 CA ASN A 85 -22.433 -10.408 -18.660 1.00 0.00 C ATOM 1337 C ASN A 85 -22.182 -8.987 -19.205 1.00 0.00 C ATOM 1338 O ASN A 85 -23.076 -8.166 -19.230 1.00 0.00 O ATOM 1339 CB ASN A 85 -23.886 -10.803 -18.965 1.00 0.00 C ATOM 1340 CG ASN A 85 -24.133 -12.231 -18.469 1.00 0.00 C ATOM 1341 OD1 ASN A 85 -23.487 -13.170 -18.892 1.00 0.00 O ATOM 1342 ND2 ASN A 85 -25.058 -12.440 -17.571 1.00 0.00 N ATOM 0 H ASN A 85 -22.423 -9.566 -16.700 1.00 0.00 H new ATOM 0 HA ASN A 85 -21.727 -11.092 -19.131 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -24.574 -10.112 -18.478 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -24.076 -10.739 -20.036 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -25.234 -13.385 -17.230 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -25.605 -11.658 -17.211 1.00 0.00 H new ATOM 1349 N PRO A 86 -20.954 -8.732 -19.636 1.00 0.00 N ATOM 1350 CA PRO A 86 -20.579 -7.426 -20.174 1.00 0.00 C ATOM 1351 C PRO A 86 -21.172 -7.195 -21.560 1.00 0.00 C ATOM 1352 O PRO A 86 -21.354 -6.067 -21.976 1.00 0.00 O ATOM 1353 CB PRO A 86 -19.041 -7.475 -20.286 1.00 0.00 C ATOM 1354 CG PRO A 86 -18.602 -8.935 -19.960 1.00 0.00 C ATOM 1355 CD PRO A 86 -19.873 -9.721 -19.605 1.00 0.00 C ATOM 0 HA PRO A 86 -20.944 -6.621 -19.536 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -18.719 -7.191 -21.288 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -18.582 -6.771 -19.592 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -18.097 -9.385 -20.815 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -17.896 -8.949 -19.129 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -20.053 -10.524 -20.320 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -19.789 -10.183 -18.621 1.00 0.00 H new ATOM 1363 N ASP A 87 -21.447 -8.269 -22.258 1.00 0.00 N ATOM 1364 CA ASP A 87 -22.025 -8.124 -23.617 1.00 0.00 C ATOM 1365 C ASP A 87 -21.132 -7.222 -24.456 1.00 0.00 C ATOM 1366 O ASP A 87 -21.589 -6.514 -25.332 1.00 0.00 O ATOM 1367 CB ASP A 87 -23.432 -7.499 -23.488 1.00 0.00 C ATOM 1368 CG ASP A 87 -24.458 -8.611 -23.267 1.00 0.00 C ATOM 1369 OD1 ASP A 87 -24.331 -9.610 -23.955 1.00 0.00 O ATOM 1370 OD2 ASP A 87 -25.312 -8.400 -22.421 1.00 0.00 O ATOM 0 H ASP A 87 -21.296 -9.228 -21.945 1.00 0.00 H new ATOM 0 HA ASP A 87 -22.096 -9.098 -24.102 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -23.456 -6.796 -22.656 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -23.677 -6.936 -24.389 1.00 0.00 H new ATOM 1375 N LEU A 88 -19.862 -7.276 -24.164 1.00 0.00 N ATOM 1376 CA LEU A 88 -18.896 -6.436 -24.915 1.00 0.00 C ATOM 1377 C LEU A 88 -19.092 -6.555 -26.434 1.00 0.00 C ATOM 1378 O LEU A 88 -19.351 -5.576 -27.104 1.00 0.00 O ATOM 1379 CB LEU A 88 -17.463 -6.909 -24.560 1.00 0.00 C ATOM 1380 CG LEU A 88 -16.719 -5.795 -23.819 1.00 0.00 C ATOM 1381 CD1 LEU A 88 -15.654 -6.420 -22.913 1.00 0.00 C ATOM 1382 CD2 LEU A 88 -16.039 -4.890 -24.848 1.00 0.00 C ATOM 0 H LEU A 88 -19.455 -7.866 -23.438 1.00 0.00 H new ATOM 0 HA LEU A 88 -19.056 -5.394 -24.636 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -17.509 -7.804 -23.939 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -16.923 -7.178 -25.468 1.00 0.00 H new ATOM 0 HG LEU A 88 -17.417 -5.214 -23.216 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -15.120 -5.632 -22.382 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -16.133 -7.083 -22.192 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -14.950 -6.990 -23.519 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -15.505 -4.091 -24.333 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -15.335 -5.476 -25.439 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -16.792 -4.457 -25.506 1.00 0.00 H new ATOM 1579 N PHE A 101 -37.558 -4.888 -31.220 1.00 0.00 N ATOM 1580 CA PHE A 101 -38.159 -5.691 -32.313 1.00 0.00 C ATOM 1581 C PHE A 101 -39.002 -6.815 -31.759 1.00 0.00 C ATOM 1582 O PHE A 101 -40.190 -6.872 -31.991 1.00 0.00 O ATOM 1583 CB PHE A 101 -37.025 -6.286 -33.156 1.00 0.00 C ATOM 1584 CG PHE A 101 -36.768 -5.390 -34.363 1.00 0.00 C ATOM 1585 CD1 PHE A 101 -37.698 -5.302 -35.384 1.00 0.00 C ATOM 1586 CD2 PHE A 101 -35.600 -4.657 -34.454 1.00 0.00 C ATOM 1587 CE1 PHE A 101 -37.460 -4.493 -36.475 1.00 0.00 C ATOM 1588 CE2 PHE A 101 -35.366 -3.849 -35.544 1.00 0.00 C ATOM 1589 CZ PHE A 101 -36.296 -3.767 -36.554 1.00 0.00 C ATOM 0 HA PHE A 101 -38.798 -5.047 -32.917 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -36.119 -6.375 -32.556 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -37.290 -7.291 -33.485 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -38.615 -5.870 -35.326 1.00 0.00 H new ATOM 0 HD2 PHE A 101 -34.866 -4.718 -33.665 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -38.190 -4.430 -37.269 1.00 0.00 H new ATOM 0 HE2 PHE A 101 -34.451 -3.279 -35.606 1.00 0.00 H new ATOM 0 HZ PHE A 101 -36.112 -3.133 -37.408 1.00 0.00 H new ATOM 1599 N LEU A 102 -38.381 -7.698 -31.047 1.00 0.00 N ATOM 1600 CA LEU A 102 -39.143 -8.815 -30.478 1.00 0.00 C ATOM 1601 C LEU A 102 -40.280 -8.291 -29.604 1.00 0.00 C ATOM 1602 O LEU A 102 -41.176 -9.024 -29.238 1.00 0.00 O ATOM 1603 CB LEU A 102 -38.199 -9.642 -29.616 1.00 0.00 C ATOM 1604 CG LEU A 102 -37.020 -10.167 -30.471 1.00 0.00 C ATOM 1605 CD1 LEU A 102 -37.437 -10.336 -31.942 1.00 0.00 C ATOM 1606 CD2 LEU A 102 -35.835 -9.188 -30.395 1.00 0.00 C ATOM 0 H LEU A 102 -37.383 -7.691 -30.837 1.00 0.00 H new ATOM 0 HA LEU A 102 -39.566 -9.417 -31.282 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -37.820 -9.036 -28.793 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -38.738 -10.479 -29.173 1.00 0.00 H new ATOM 0 HG LEU A 102 -36.725 -11.138 -30.073 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -36.590 -10.706 -32.520 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -38.260 -11.048 -32.007 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -37.757 -9.374 -32.342 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -35.011 -9.567 -31.000 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -36.144 -8.213 -30.772 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -35.510 -9.090 -29.359 1.00 0.00 H new ATOM 1618 N ALA A 103 -40.226 -7.017 -29.294 1.00 0.00 N ATOM 1619 CA ALA A 103 -41.294 -6.419 -28.445 1.00 0.00 C ATOM 1620 C ALA A 103 -42.368 -5.753 -29.301 1.00 0.00 C ATOM 1621 O ALA A 103 -43.450 -5.461 -28.827 1.00 0.00 O ATOM 1622 CB ALA A 103 -40.651 -5.357 -27.541 1.00 0.00 C ATOM 0 H ALA A 103 -39.493 -6.373 -29.592 1.00 0.00 H new ATOM 0 HA ALA A 103 -41.763 -7.208 -27.857 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -41.416 -4.905 -26.910 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -39.892 -5.824 -26.914 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -40.188 -4.587 -28.157 1.00 0.00 H new ATOM 1628 N THR A 104 -42.044 -5.526 -30.548 1.00 0.00 N ATOM 1629 CA THR A 104 -43.020 -4.883 -31.463 1.00 0.00 C ATOM 1630 C THR A 104 -43.678 -5.922 -32.344 1.00 0.00 C ATOM 1631 O THR A 104 -44.243 -5.602 -33.368 1.00 0.00 O ATOM 1632 CB THR A 104 -42.260 -3.921 -32.354 1.00 0.00 C ATOM 1633 OG1 THR A 104 -41.606 -3.033 -31.475 1.00 0.00 O ATOM 1634 CG2 THR A 104 -43.223 -3.034 -33.151 1.00 0.00 C ATOM 0 H THR A 104 -41.144 -5.760 -30.968 1.00 0.00 H new ATOM 0 HA THR A 104 -43.784 -4.371 -30.878 1.00 0.00 H new ATOM 0 HB THR A 104 -41.611 -4.480 -33.028 1.00 0.00 H new ATOM 0 HG1 THR A 104 -41.090 -2.380 -31.993 1.00 0.00 H new ATOM 0 HG21 THR A 104 -42.652 -2.353 -33.782 1.00 0.00 H new ATOM 0 HG22 THR A 104 -43.861 -3.659 -33.776 1.00 0.00 H new ATOM 0 HG23 THR A 104 -43.842 -2.458 -32.463 1.00 0.00 H new ATOM 1642 N CYS A 105 -43.546 -7.149 -31.942 1.00 0.00 N ATOM 1643 CA CYS A 105 -44.152 -8.269 -32.723 1.00 0.00 C ATOM 1644 C CYS A 105 -45.481 -7.857 -33.353 1.00 0.00 C ATOM 1645 O CYS A 105 -45.905 -8.435 -34.331 1.00 0.00 O ATOM 1646 CB CYS A 105 -44.404 -9.451 -31.770 1.00 0.00 C ATOM 1647 SG CYS A 105 -44.744 -11.061 -32.524 1.00 0.00 S ATOM 0 H CYS A 105 -43.042 -7.432 -31.101 1.00 0.00 H new ATOM 0 HA CYS A 105 -43.464 -8.545 -33.522 1.00 0.00 H new ATOM 0 HB2 CYS A 105 -43.532 -9.557 -31.125 1.00 0.00 H new ATOM 0 HB3 CYS A 105 -45.246 -9.194 -31.128 1.00 0.00 H new ATOM 0 HG CYS A 105 -44.931 -11.946 -31.591 1.00 0.00 H new ATOM 1653 N ASP A 106 -46.126 -6.876 -32.776 1.00 0.00 N ATOM 1654 CA ASP A 106 -47.413 -6.435 -33.346 1.00 0.00 C ATOM 1655 C ASP A 106 -47.180 -5.668 -34.638 1.00 0.00 C ATOM 1656 O ASP A 106 -47.654 -6.057 -35.685 1.00 0.00 O ATOM 1657 CB ASP A 106 -48.118 -5.517 -32.332 1.00 0.00 C ATOM 1658 CG ASP A 106 -49.619 -5.505 -32.622 1.00 0.00 C ATOM 1659 OD1 ASP A 106 -49.984 -6.111 -33.619 1.00 0.00 O ATOM 1660 OD2 ASP A 106 -50.319 -4.894 -31.832 1.00 0.00 O ATOM 0 H ASP A 106 -45.814 -6.373 -31.945 1.00 0.00 H new ATOM 0 HA ASP A 106 -48.031 -7.308 -33.559 1.00 0.00 H new ATOM 0 HB2 ASP A 106 -47.935 -5.869 -31.317 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -47.715 -4.506 -32.397 1.00 0.00 H new ATOM 1665 N ALA A 107 -46.451 -4.592 -34.544 1.00 0.00 N ATOM 1666 CA ALA A 107 -46.180 -3.796 -35.765 1.00 0.00 C ATOM 1667 C ALA A 107 -45.314 -4.588 -36.722 1.00 0.00 C ATOM 1668 O ALA A 107 -45.092 -4.180 -37.844 1.00 0.00 O ATOM 1669 CB ALA A 107 -45.439 -2.501 -35.377 1.00 0.00 C ATOM 0 H ALA A 107 -46.036 -4.235 -33.683 1.00 0.00 H new ATOM 0 HA ALA A 107 -47.127 -3.556 -36.248 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -45.239 -1.914 -36.273 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -46.057 -1.919 -34.693 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -44.497 -2.753 -34.890 1.00 0.00 H new ATOM 1675 N LYS A 108 -44.821 -5.714 -36.262 1.00 0.00 N ATOM 1676 CA LYS A 108 -43.965 -6.533 -37.152 1.00 0.00 C ATOM 1677 C LYS A 108 -44.676 -6.756 -38.473 1.00 0.00 C ATOM 1678 O LYS A 108 -44.043 -6.851 -39.506 1.00 0.00 O ATOM 1679 CB LYS A 108 -43.682 -7.888 -36.466 1.00 0.00 C ATOM 1680 CG LYS A 108 -42.811 -8.769 -37.387 1.00 0.00 C ATOM 1681 CD LYS A 108 -41.480 -9.091 -36.691 1.00 0.00 C ATOM 1682 CE LYS A 108 -41.668 -10.286 -35.749 1.00 0.00 C ATOM 1683 NZ LYS A 108 -43.072 -10.354 -35.253 1.00 0.00 N ATOM 0 H LYS A 108 -44.975 -6.089 -35.326 1.00 0.00 H new ATOM 0 HA LYS A 108 -43.023 -6.019 -37.342 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -43.173 -7.726 -35.516 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -44.620 -8.396 -36.243 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -43.339 -9.692 -37.628 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -42.624 -8.253 -38.329 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -40.715 -9.317 -37.434 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -41.132 -8.224 -36.130 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -41.417 -11.209 -36.271 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -40.983 -10.201 -34.905 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -43.121 -10.997 -34.437 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -43.385 -9.405 -34.965 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -43.691 -10.708 -36.010 1.00 0.00 H new ATOM 1697 N ASP A 109 -45.994 -6.831 -38.423 1.00 0.00 N ATOM 1698 CA ASP A 109 -46.736 -7.042 -39.686 1.00 0.00 C ATOM 1699 C ASP A 109 -46.192 -6.052 -40.664 1.00 0.00 C ATOM 1700 O ASP A 109 -45.965 -6.348 -41.821 1.00 0.00 O ATOM 1701 CB ASP A 109 -48.229 -6.761 -39.451 1.00 0.00 C ATOM 1702 CG ASP A 109 -49.046 -7.440 -40.553 1.00 0.00 C ATOM 1703 OD1 ASP A 109 -49.251 -8.632 -40.416 1.00 0.00 O ATOM 1704 OD2 ASP A 109 -49.418 -6.725 -41.471 1.00 0.00 O ATOM 0 H ASP A 109 -46.562 -6.756 -37.579 1.00 0.00 H new ATOM 0 HA ASP A 109 -46.627 -8.064 -40.050 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -48.533 -7.135 -38.473 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -48.414 -5.687 -39.453 1.00 0.00 H new ATOM 1709 N LEU A 110 -45.990 -4.874 -40.155 1.00 0.00 N ATOM 1710 CA LEU A 110 -45.452 -3.790 -40.971 1.00 0.00 C ATOM 1711 C LEU A 110 -44.387 -3.089 -40.154 1.00 0.00 C ATOM 1712 O LEU A 110 -44.645 -2.097 -39.501 1.00 0.00 O ATOM 1713 CB LEU A 110 -46.573 -2.796 -41.300 1.00 0.00 C ATOM 1714 CG LEU A 110 -47.470 -2.635 -40.072 1.00 0.00 C ATOM 1715 CD1 LEU A 110 -47.668 -1.148 -39.780 1.00 0.00 C ATOM 1716 CD2 LEU A 110 -48.833 -3.278 -40.346 1.00 0.00 C ATOM 0 H LEU A 110 -46.184 -4.624 -39.185 1.00 0.00 H new ATOM 0 HA LEU A 110 -45.035 -4.177 -41.901 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -46.150 -1.833 -41.587 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -47.156 -3.153 -42.148 1.00 0.00 H new ATOM 0 HG LEU A 110 -47.001 -3.120 -39.216 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -48.307 -1.031 -38.905 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -46.701 -0.683 -39.588 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -48.137 -0.668 -40.639 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -49.472 -3.163 -39.471 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -49.300 -2.791 -41.202 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -48.699 -4.338 -40.560 1.00 0.00 H new ATOM 1728 N ALA A 111 -43.203 -3.628 -40.203 1.00 0.00 N ATOM 1729 CA ALA A 111 -42.090 -3.030 -39.444 1.00 0.00 C ATOM 1730 C ALA A 111 -41.467 -1.792 -40.133 1.00 0.00 C ATOM 1731 O ALA A 111 -40.998 -0.895 -39.460 1.00 0.00 O ATOM 1732 CB ALA A 111 -41.002 -4.102 -39.282 1.00 0.00 C ATOM 0 H ALA A 111 -42.964 -4.461 -40.741 1.00 0.00 H new ATOM 0 HA ALA A 111 -42.488 -2.690 -38.488 1.00 0.00 H new ATOM 0 HB1 ALA A 111 -40.163 -3.688 -38.723 1.00 0.00 H new ATOM 0 HB2 ALA A 111 -41.411 -4.957 -38.743 1.00 0.00 H new ATOM 0 HB3 ALA A 111 -40.659 -4.424 -40.265 1.00 0.00 H new ATOM 1738 N PRO A 112 -41.467 -1.754 -41.464 1.00 0.00 N ATOM 1739 CA PRO A 112 -40.891 -0.613 -42.172 1.00 0.00 C ATOM 1740 C PRO A 112 -41.572 0.687 -41.772 1.00 0.00 C ATOM 1741 O PRO A 112 -42.547 0.675 -41.045 1.00 0.00 O ATOM 1742 CB PRO A 112 -41.124 -0.907 -43.668 1.00 0.00 C ATOM 1743 CG PRO A 112 -41.713 -2.349 -43.765 1.00 0.00 C ATOM 1744 CD PRO A 112 -42.040 -2.802 -42.327 1.00 0.00 C ATOM 0 HA PRO A 112 -39.834 -0.489 -41.935 1.00 0.00 H new ATOM 0 HB2 PRO A 112 -41.811 -0.180 -44.101 1.00 0.00 H new ATOM 0 HB3 PRO A 112 -40.190 -0.834 -44.225 1.00 0.00 H new ATOM 0 HG2 PRO A 112 -42.609 -2.358 -44.385 1.00 0.00 H new ATOM 0 HG3 PRO A 112 -40.997 -3.027 -44.229 1.00 0.00 H new ATOM 0 HD2 PRO A 112 -43.116 -2.895 -42.176 1.00 0.00 H new ATOM 0 HD3 PRO A 112 -41.603 -3.776 -42.110 1.00 0.00 H new ATOM 1752 N ALA A 113 -41.038 1.787 -42.253 1.00 0.00 N ATOM 1753 CA ALA A 113 -41.629 3.115 -41.919 1.00 0.00 C ATOM 1754 C ALA A 113 -42.095 3.852 -43.177 1.00 0.00 C ATOM 1755 O ALA A 113 -41.383 4.679 -43.716 1.00 0.00 O ATOM 1756 CB ALA A 113 -40.538 3.961 -41.241 1.00 0.00 C ATOM 0 H ALA A 113 -40.220 1.818 -42.861 1.00 0.00 H new ATOM 0 HA ALA A 113 -42.490 2.963 -41.269 1.00 0.00 H new ATOM 0 HB1 ALA A 113 -40.943 4.940 -40.985 1.00 0.00 H new ATOM 0 HB2 ALA A 113 -40.200 3.460 -40.334 1.00 0.00 H new ATOM 0 HB3 ALA A 113 -39.696 4.084 -41.923 1.00 0.00 H new