USER MOD reduce.3.24.130724 H: found=0, std=0, add=799, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 802 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: B 501 MET CE :methyl 151:sc= -1.4 (180deg=-2.88!) USER MOD Set 1.2: B 502 THR OG1 : rot 77:sc= 1.01 USER MOD Set 2.1: A 99 ASN : amide:sc= -0.0316 X(o=-7.8,f=-7.6) USER MOD Set 2.2: A 102 GLN : amide:sc= -7.81! C(o=-7.8!,f=-11!) USER MOD Set 3.1: A 19 ASN : amide:sc= -1.06 K(o=-2,f=-5.6!) USER MOD Set 3.2: A 100 MET CE :methyl 167:sc= -0.937 (180deg=-1.27) USER MOD Set 4.1: A 54 SER OG : rot 41:sc= 0.407 USER MOD Set 4.2: A 56 LYS NZ :NH3+ -108:sc= 0.0507 (180deg=-1.73!) USER MOD Set 5.1: A 43 THR OG1 : rot 180:sc= 0 USER MOD Set 5.2: A 58 HIS : no HD1:sc= -4.04! C(o=-4!,f=-11!) USER MOD Set 6.1: A 22 LYS NZ :NH3+ 161:sc= 0.389 (180deg=0.252) USER MOD Set 6.2: A 35 SER OG : rot 38:sc= 0.0833 USER MOD Single : A 20 LYS NZ :NH3+ -164:sc= -1.06! (180deg=-1.34!) USER MOD Single : A 25 ASN :FLIP amide:sc= -0.639 F(o=-1.2,f=-0.64) USER MOD Single : A 31 ASN : amide:sc= -0.0533 K(o=-0.053,f=-3!) USER MOD Single : A 38 MET CE :methyl 160:sc= -10.9! (180deg=-13.7!) USER MOD Single : A 41 THR OG1 : rot -72:sc= 1.23 USER MOD Single : A 48 TYR OH : rot 45:sc= 0.145 USER MOD Single : A 49 THR OG1 : rot -83:sc= -3.34! USER MOD Single : A 51 LYS NZ :NH3+ 161:sc= -0.0106 (180deg=-0.179) USER MOD Single : A 59 TYR OH : rot 75:sc= -1.71! USER MOD Single : A 61 CYS SG : rot 180:sc=-0.00632 USER MOD Single : A 65 TYR OH : rot -81:sc= 0.599 USER MOD Single : A 67 TYR OH : rot 68:sc= 1.23 USER MOD Single : A 69 SER OG : rot 81:sc= 1.31 USER MOD Single : A 70 ASN : amide:sc= -1.46! C(o=-1.5!,f=-2.5!) USER MOD Single : A 73 SER OG : rot 52:sc= -3.92! USER MOD Single : A 76 SER OG : rot 17:sc= 0.09 USER MOD Single : A 90 LYS NZ :NH3+ -160:sc= -1.87! (180deg=-3.01!) USER MOD Single : A 91 CYS SG : rot 68:sc= -4.31! USER MOD Single : A 105 MET CE :methyl -126:sc= -5.79! (180deg=-9.81!) USER MOD Single : A 106 GLN :FLIP amide:sc=-0.00364 F(o=-2.1!,f=-0.0036) USER MOD Single : A 107 ASN : amide:sc= 0.829 K(o=0.83,f=-0.26) USER MOD Single : A 108 ASN :FLIP amide:sc= -2.52! C(o=-4!,f=-2.5!) USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : B 503 LYS NZ :NH3+ -132:sc= 0 (180deg=-0.0191) USER MOD Single : B 509 ASN : amide:sc= -1.79 K(o=-1.8,f=-3.8) USER MOD Single : B 511 GLN :FLIP amide:sc= -2.49 F(o=-3.4!,f=-2.5) USER MOD ----------------------------------------------------------------- ATOM 173 N ASN A 19 -1.574 12.279 0.075 1.00 0.00 N ATOM 174 CA ASN A 19 -1.228 10.926 0.441 1.00 0.00 C ATOM 175 C ASN A 19 -2.219 10.307 1.422 1.00 0.00 C ATOM 176 O ASN A 19 -2.367 9.088 1.468 1.00 0.00 O ATOM 177 CB ASN A 19 0.186 10.924 1.001 1.00 0.00 C ATOM 178 CG ASN A 19 1.234 11.002 -0.096 1.00 0.00 C ATOM 179 OD1 ASN A 19 0.985 10.621 -1.239 1.00 0.00 O ATOM 180 ND2 ASN A 19 2.420 11.477 0.247 1.00 0.00 N ATOM 0 HA ASN A 19 -1.276 10.302 -0.451 1.00 0.00 H new ATOM 0 HB2 ASN A 19 0.308 11.768 1.679 1.00 0.00 H new ATOM 0 HB3 ASN A 19 0.342 10.019 1.588 1.00 0.00 H new ATOM 0 HD21 ASN A 19 3.165 11.537 -0.447 1.00 0.00 H new ATOM 0 HD22 ASN A 19 2.589 11.783 1.205 1.00 0.00 H new ATOM 187 N LYS A 20 -2.900 11.131 2.206 1.00 0.00 N ATOM 188 CA LYS A 20 -3.946 10.623 3.080 1.00 0.00 C ATOM 189 C LYS A 20 -5.206 10.388 2.258 1.00 0.00 C ATOM 190 O LYS A 20 -5.907 11.335 1.898 1.00 0.00 O ATOM 191 CB LYS A 20 -4.235 11.634 4.194 1.00 0.00 C ATOM 192 CG LYS A 20 -5.317 11.191 5.164 1.00 0.00 C ATOM 193 CD LYS A 20 -4.831 10.115 6.107 1.00 0.00 C ATOM 194 CE LYS A 20 -4.337 10.655 7.434 1.00 0.00 C ATOM 195 NZ LYS A 20 -3.300 11.701 7.274 1.00 0.00 N ATOM 0 H LYS A 20 -2.750 12.139 2.255 1.00 0.00 H new ATOM 0 HA LYS A 20 -3.621 9.687 3.533 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -3.316 11.819 4.750 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -4.531 12.581 3.743 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -5.659 12.050 5.741 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -6.176 10.820 4.604 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -5.641 9.409 6.290 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -4.026 9.559 5.627 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -5.179 11.066 7.991 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -3.932 9.835 8.027 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -2.807 11.842 8.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -2.616 11.403 6.550 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -3.748 12.592 6.981 1.00 0.00 H new ATOM 209 N PHE A 21 -5.495 9.132 1.965 1.00 0.00 N ATOM 210 CA PHE A 21 -6.699 8.790 1.231 1.00 0.00 C ATOM 211 C PHE A 21 -7.670 8.020 2.090 1.00 0.00 C ATOM 212 O PHE A 21 -7.280 7.168 2.869 1.00 0.00 O ATOM 213 CB PHE A 21 -6.347 7.984 -0.018 1.00 0.00 C ATOM 214 CG PHE A 21 -5.876 8.831 -1.161 1.00 0.00 C ATOM 215 CD1 PHE A 21 -6.253 10.163 -1.278 1.00 0.00 C ATOM 216 CD2 PHE A 21 -5.048 8.296 -2.121 1.00 0.00 C ATOM 217 CE1 PHE A 21 -5.805 10.924 -2.332 1.00 0.00 C ATOM 218 CE2 PHE A 21 -4.602 9.046 -3.163 1.00 0.00 C ATOM 219 CZ PHE A 21 -4.977 10.363 -3.276 1.00 0.00 C ATOM 0 H PHE A 21 -4.914 8.335 2.224 1.00 0.00 H new ATOM 0 HA PHE A 21 -7.182 9.720 0.932 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -5.571 7.261 0.232 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -7.222 7.416 -0.333 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -6.902 10.604 -0.536 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -4.747 7.262 -2.045 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -6.102 11.959 -2.418 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -3.951 8.606 -3.904 1.00 0.00 H new ATOM 0 HZ PHE A 21 -4.622 10.957 -4.105 1.00 0.00 H new ATOM 229 N LYS A 22 -8.935 8.331 1.946 1.00 0.00 N ATOM 230 CA LYS A 22 -9.976 7.604 2.635 1.00 0.00 C ATOM 231 C LYS A 22 -10.389 6.404 1.805 1.00 0.00 C ATOM 232 O LYS A 22 -11.052 6.537 0.776 1.00 0.00 O ATOM 233 CB LYS A 22 -11.164 8.511 2.899 1.00 0.00 C ATOM 234 CG LYS A 22 -11.178 9.132 4.274 1.00 0.00 C ATOM 235 CD LYS A 22 -11.522 8.122 5.357 1.00 0.00 C ATOM 236 CE LYS A 22 -12.969 7.686 5.266 1.00 0.00 C ATOM 237 NZ LYS A 22 -13.361 6.806 6.397 1.00 0.00 N ATOM 0 H LYS A 22 -9.272 9.089 1.353 1.00 0.00 H new ATOM 0 HA LYS A 22 -9.598 7.254 3.596 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -11.171 9.306 2.154 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -12.081 7.938 2.763 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -10.201 9.568 4.484 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -11.902 9.946 4.296 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -10.872 7.252 5.265 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -11.333 8.559 6.338 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -13.612 8.566 5.253 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -13.130 7.159 4.325 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -14.397 6.792 6.483 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -13.015 5.841 6.222 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -12.946 7.168 7.279 1.00 0.00 H new ATOM 251 N VAL A 23 -9.957 5.236 2.234 1.00 0.00 N ATOM 252 CA VAL A 23 -10.278 4.012 1.544 1.00 0.00 C ATOM 253 C VAL A 23 -11.420 3.319 2.260 1.00 0.00 C ATOM 254 O VAL A 23 -11.980 3.837 3.219 1.00 0.00 O ATOM 255 CB VAL A 23 -9.053 3.068 1.497 1.00 0.00 C ATOM 256 CG1 VAL A 23 -7.860 3.779 0.894 1.00 0.00 C ATOM 257 CG2 VAL A 23 -8.711 2.565 2.884 1.00 0.00 C ATOM 0 H VAL A 23 -9.378 5.113 3.065 1.00 0.00 H new ATOM 0 HA VAL A 23 -10.568 4.254 0.522 1.00 0.00 H new ATOM 0 HB VAL A 23 -9.307 2.213 0.870 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -7.007 3.101 0.868 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -8.101 4.098 -0.120 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -7.612 4.651 1.499 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -7.847 1.903 2.828 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -8.479 3.411 3.531 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -9.561 2.018 3.293 1.00 0.00 H new ATOM 267 N ILE A 24 -11.779 2.165 1.777 1.00 0.00 N ATOM 268 CA ILE A 24 -12.696 1.312 2.481 1.00 0.00 C ATOM 269 C ILE A 24 -12.039 -0.030 2.715 1.00 0.00 C ATOM 270 O ILE A 24 -11.743 -0.720 1.759 1.00 0.00 O ATOM 271 CB ILE A 24 -13.957 1.047 1.675 1.00 0.00 C ATOM 272 CG1 ILE A 24 -14.855 2.274 1.554 1.00 0.00 C ATOM 273 CG2 ILE A 24 -14.696 -0.078 2.323 1.00 0.00 C ATOM 274 CD1 ILE A 24 -15.743 2.222 0.328 1.00 0.00 C ATOM 0 H ILE A 24 -11.447 1.789 0.889 1.00 0.00 H new ATOM 0 HA ILE A 24 -12.957 1.815 3.412 1.00 0.00 H new ATOM 0 HB ILE A 24 -13.665 0.787 0.657 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -15.476 2.355 2.446 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -14.237 3.171 1.513 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -15.606 -0.287 1.761 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -14.066 -0.967 2.336 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -14.956 0.198 3.345 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -16.362 3.118 0.289 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -15.124 2.169 -0.568 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -16.383 1.341 0.379 1.00 0.00 H new ATOM 286 N ASN A 25 -11.818 -0.443 3.940 1.00 0.00 N ATOM 287 CA ASN A 25 -11.265 -1.770 4.103 1.00 0.00 C ATOM 288 C ASN A 25 -12.358 -2.799 3.863 1.00 0.00 C ATOM 289 O ASN A 25 -13.355 -2.873 4.595 1.00 0.00 O ATOM 290 CB ASN A 25 -10.525 -1.997 5.438 1.00 0.00 C ATOM 291 CG ASN A 25 -11.331 -1.710 6.690 1.00 0.00 C ATOM 292 OD1 ASN A 25 -11.110 -0.545 7.283 1.00 0.00 O flip ATOM 293 ND2 ASN A 25 -12.097 -2.550 7.159 1.00 0.00 N flip ATOM 0 H ASN A 25 -11.999 0.083 4.795 1.00 0.00 H new ATOM 0 HA ASN A 25 -10.482 -1.887 3.354 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -10.187 -3.033 5.474 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -9.633 -1.370 5.450 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -12.242 -3.435 6.674 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -12.588 -2.361 8.033 1.00 0.00 H new ATOM 300 N VAL A 26 -12.179 -3.535 2.773 1.00 0.00 N ATOM 301 CA VAL A 26 -13.166 -4.483 2.292 1.00 0.00 C ATOM 302 C VAL A 26 -12.530 -5.866 2.238 1.00 0.00 C ATOM 303 O VAL A 26 -11.446 -6.024 1.682 1.00 0.00 O ATOM 304 CB VAL A 26 -13.660 -4.079 0.889 1.00 0.00 C ATOM 305 CG1 VAL A 26 -14.490 -2.826 0.983 1.00 0.00 C ATOM 306 CG2 VAL A 26 -12.512 -3.838 -0.061 1.00 0.00 C ATOM 0 H VAL A 26 -11.338 -3.488 2.197 1.00 0.00 H new ATOM 0 HA VAL A 26 -14.021 -4.491 2.968 1.00 0.00 H new ATOM 0 HB VAL A 26 -14.259 -4.903 0.501 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -14.837 -2.544 -0.011 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -15.349 -3.006 1.630 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -13.886 -2.020 1.399 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -12.902 -3.555 -1.039 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -11.883 -3.036 0.324 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -11.921 -4.749 -0.156 1.00 0.00 H new ATOM 316 N ASP A 27 -13.168 -6.877 2.795 1.00 0.00 N ATOM 317 CA ASP A 27 -12.504 -8.169 2.862 1.00 0.00 C ATOM 318 C ASP A 27 -13.273 -9.266 2.146 1.00 0.00 C ATOM 319 O ASP A 27 -14.447 -9.494 2.417 1.00 0.00 O ATOM 320 CB ASP A 27 -12.228 -8.555 4.315 1.00 0.00 C ATOM 321 CG ASP A 27 -11.595 -9.923 4.455 1.00 0.00 C ATOM 322 OD1 ASP A 27 -10.707 -10.269 3.648 1.00 0.00 O ATOM 323 OD2 ASP A 27 -11.997 -10.669 5.372 1.00 0.00 O ATOM 0 H ASP A 27 -14.106 -6.838 3.193 1.00 0.00 H new ATOM 0 HA ASP A 27 -11.555 -8.064 2.336 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -11.572 -7.810 4.765 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -13.163 -8.535 4.874 1.00 0.00 H new ATOM 328 N ASP A 28 -12.550 -9.923 1.227 1.00 0.00 N ATOM 329 CA ASP A 28 -13.002 -11.068 0.404 1.00 0.00 C ATOM 330 C ASP A 28 -14.401 -10.919 -0.213 1.00 0.00 C ATOM 331 O ASP A 28 -14.902 -11.849 -0.843 1.00 0.00 O ATOM 332 CB ASP A 28 -12.873 -12.396 1.171 1.00 0.00 C ATOM 333 CG ASP A 28 -14.010 -12.699 2.130 1.00 0.00 C ATOM 334 OD1 ASP A 28 -14.995 -13.332 1.699 1.00 0.00 O ATOM 335 OD2 ASP A 28 -13.896 -12.362 3.328 1.00 0.00 O ATOM 0 H ASP A 28 -11.585 -9.662 1.023 1.00 0.00 H new ATOM 0 HA ASP A 28 -12.321 -11.078 -0.447 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -12.801 -13.209 0.449 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -11.939 -12.384 1.732 1.00 0.00 H new ATOM 340 N ASP A 29 -15.006 -9.752 -0.077 1.00 0.00 N ATOM 341 CA ASP A 29 -16.307 -9.482 -0.678 1.00 0.00 C ATOM 342 C ASP A 29 -16.320 -8.110 -1.325 1.00 0.00 C ATOM 343 O ASP A 29 -17.271 -7.735 -2.003 1.00 0.00 O ATOM 344 CB ASP A 29 -17.418 -9.530 0.372 1.00 0.00 C ATOM 345 CG ASP A 29 -17.670 -10.916 0.911 1.00 0.00 C ATOM 346 OD1 ASP A 29 -18.243 -11.746 0.175 1.00 0.00 O ATOM 347 OD2 ASP A 29 -17.308 -11.175 2.076 1.00 0.00 O ATOM 0 H ASP A 29 -14.616 -8.969 0.448 1.00 0.00 H new ATOM 0 HA ASP A 29 -16.483 -10.251 -1.430 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -17.157 -8.868 1.198 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -18.339 -9.145 -0.066 1.00 0.00 H new ATOM 352 N GLY A 30 -15.246 -7.360 -1.110 1.00 0.00 N ATOM 353 CA GLY A 30 -15.243 -5.950 -1.456 1.00 0.00 C ATOM 354 C GLY A 30 -16.255 -5.217 -0.608 1.00 0.00 C ATOM 355 O GLY A 30 -16.709 -4.126 -0.946 1.00 0.00 O ATOM 0 H GLY A 30 -14.376 -7.703 -0.702 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -14.250 -5.529 -1.300 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -15.480 -5.824 -2.513 1.00 0.00 H new ATOM 359 N ASN A 31 -16.591 -5.840 0.517 1.00 0.00 N ATOM 360 CA ASN A 31 -17.588 -5.318 1.429 1.00 0.00 C ATOM 361 C ASN A 31 -16.945 -4.345 2.371 1.00 0.00 C ATOM 362 O ASN A 31 -15.975 -4.700 3.034 1.00 0.00 O ATOM 363 CB ASN A 31 -18.220 -6.457 2.237 1.00 0.00 C ATOM 364 CG ASN A 31 -19.551 -6.073 2.864 1.00 0.00 C ATOM 365 OD1 ASN A 31 -19.769 -4.921 3.240 1.00 0.00 O ATOM 366 ND2 ASN A 31 -20.450 -7.035 2.985 1.00 0.00 N ATOM 0 H ASN A 31 -16.176 -6.722 0.817 1.00 0.00 H new ATOM 0 HA ASN A 31 -18.364 -4.818 0.850 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -18.366 -7.319 1.586 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -17.530 -6.764 3.023 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -21.359 -6.834 3.401 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -20.234 -7.978 2.662 1.00 0.00 H new ATOM 373 N GLU A 32 -17.439 -3.110 2.387 1.00 0.00 N ATOM 374 CA GLU A 32 -16.949 -2.119 3.323 1.00 0.00 C ATOM 375 C GLU A 32 -17.088 -2.633 4.751 1.00 0.00 C ATOM 376 O GLU A 32 -18.122 -2.444 5.389 1.00 0.00 O ATOM 377 CB GLU A 32 -17.730 -0.812 3.197 1.00 0.00 C ATOM 378 CG GLU A 32 -17.800 -0.282 1.786 1.00 0.00 C ATOM 379 CD GLU A 32 -19.176 0.204 1.413 1.00 0.00 C ATOM 380 OE1 GLU A 32 -19.589 1.270 1.907 1.00 0.00 O ATOM 381 OE2 GLU A 32 -19.850 -0.483 0.620 1.00 0.00 O ATOM 0 H GLU A 32 -18.175 -2.779 1.763 1.00 0.00 H new ATOM 0 HA GLU A 32 -15.900 -1.934 3.091 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -18.743 -0.967 3.568 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -17.268 -0.060 3.836 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -17.088 0.536 1.674 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -17.496 -1.066 1.093 1.00 0.00 H new ATOM 388 N LEU A 33 -16.053 -3.284 5.245 1.00 0.00 N ATOM 389 CA LEU A 33 -16.037 -3.783 6.608 1.00 0.00 C ATOM 390 C LEU A 33 -15.495 -2.694 7.515 1.00 0.00 C ATOM 391 O LEU A 33 -14.885 -2.941 8.557 1.00 0.00 O ATOM 392 CB LEU A 33 -15.206 -5.067 6.680 1.00 0.00 C ATOM 393 CG LEU A 33 -15.974 -6.372 6.404 1.00 0.00 C ATOM 394 CD1 LEU A 33 -17.198 -6.113 5.558 1.00 0.00 C ATOM 395 CD2 LEU A 33 -15.096 -7.360 5.675 1.00 0.00 C ATOM 0 H LEU A 33 -15.203 -3.482 4.717 1.00 0.00 H new ATOM 0 HA LEU A 33 -17.044 -4.035 6.941 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -14.388 -4.990 5.964 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -14.757 -5.133 7.671 1.00 0.00 H new ATOM 0 HG LEU A 33 -16.276 -6.779 7.369 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -17.722 -7.052 5.378 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -17.861 -5.422 6.079 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -16.896 -5.678 4.605 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -15.656 -8.276 5.489 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -14.776 -6.931 4.725 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -14.221 -7.587 6.284 1.00 0.00 H new ATOM 407 N GLY A 34 -15.763 -1.479 7.087 1.00 0.00 N ATOM 408 CA GLY A 34 -15.273 -0.299 7.742 1.00 0.00 C ATOM 409 C GLY A 34 -14.506 0.541 6.762 1.00 0.00 C ATOM 410 O GLY A 34 -13.533 0.076 6.185 1.00 0.00 O ATOM 0 H GLY A 34 -16.335 -1.287 6.264 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -16.105 0.273 8.153 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -14.632 -0.575 8.579 1.00 0.00 H new ATOM 414 N SER A 35 -14.941 1.750 6.502 1.00 0.00 N ATOM 415 CA SER A 35 -14.212 2.551 5.559 1.00 0.00 C ATOM 416 C SER A 35 -13.035 3.233 6.257 1.00 0.00 C ATOM 417 O SER A 35 -13.211 4.031 7.177 1.00 0.00 O ATOM 418 CB SER A 35 -15.131 3.536 4.837 1.00 0.00 C ATOM 419 OG SER A 35 -15.832 4.363 5.752 1.00 0.00 O ATOM 0 H SER A 35 -15.766 2.186 6.914 1.00 0.00 H new ATOM 0 HA SER A 35 -13.801 1.906 4.783 1.00 0.00 H new ATOM 0 HB2 SER A 35 -14.542 4.157 4.162 1.00 0.00 H new ATOM 0 HB3 SER A 35 -15.844 2.986 4.223 1.00 0.00 H new ATOM 0 HG SER A 35 -15.245 4.592 6.502 1.00 0.00 H new ATOM 425 N GLY A 36 -11.835 2.893 5.810 1.00 0.00 N ATOM 426 CA GLY A 36 -10.623 3.304 6.488 1.00 0.00 C ATOM 427 C GLY A 36 -9.939 4.475 5.807 1.00 0.00 C ATOM 428 O GLY A 36 -10.533 5.174 4.995 1.00 0.00 O ATOM 0 H GLY A 36 -11.679 2.329 4.974 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -10.861 3.576 7.516 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -9.933 2.461 6.533 1.00 0.00 H new ATOM 432 N ILE A 37 -8.701 4.701 6.179 1.00 0.00 N ATOM 433 CA ILE A 37 -7.802 5.569 5.444 1.00 0.00 C ATOM 434 C ILE A 37 -6.724 4.707 4.832 1.00 0.00 C ATOM 435 O ILE A 37 -6.560 3.580 5.224 1.00 0.00 O ATOM 436 CB ILE A 37 -7.091 6.581 6.378 1.00 0.00 C ATOM 437 CG1 ILE A 37 -8.052 7.637 6.919 1.00 0.00 C ATOM 438 CG2 ILE A 37 -5.942 7.276 5.656 1.00 0.00 C ATOM 439 CD1 ILE A 37 -8.351 8.747 5.930 1.00 0.00 C ATOM 0 H ILE A 37 -8.282 4.284 7.010 1.00 0.00 H new ATOM 0 HA ILE A 37 -8.385 6.114 4.701 1.00 0.00 H new ATOM 0 HB ILE A 37 -6.702 6.006 7.218 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -8.987 7.154 7.204 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -7.629 8.072 7.824 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -5.460 7.981 6.333 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -5.215 6.533 5.328 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -6.328 7.812 4.789 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -9.040 9.461 6.382 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -7.425 9.256 5.663 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -8.804 8.323 5.033 1.00 0.00 H new ATOM 451 N MET A 38 -5.990 5.247 3.910 1.00 0.00 N ATOM 452 CA MET A 38 -4.774 4.655 3.472 1.00 0.00 C ATOM 453 C MET A 38 -3.768 5.766 3.254 1.00 0.00 C ATOM 454 O MET A 38 -3.714 6.400 2.202 1.00 0.00 O ATOM 455 CB MET A 38 -4.991 3.809 2.247 1.00 0.00 C ATOM 456 CG MET A 38 -3.797 2.989 1.907 1.00 0.00 C ATOM 457 SD MET A 38 -3.411 1.820 3.200 1.00 0.00 S ATOM 458 CE MET A 38 -5.040 1.114 3.369 1.00 0.00 C ATOM 0 H MET A 38 -6.224 6.120 3.438 1.00 0.00 H new ATOM 0 HA MET A 38 -4.384 3.972 4.227 1.00 0.00 H new ATOM 0 HB2 MET A 38 -5.846 3.152 2.409 1.00 0.00 H new ATOM 0 HB3 MET A 38 -5.239 4.453 1.403 1.00 0.00 H new ATOM 0 HG2 MET A 38 -3.976 2.454 0.974 1.00 0.00 H new ATOM 0 HG3 MET A 38 -2.941 3.643 1.740 1.00 0.00 H new ATOM 0 HE1 MET A 38 -4.966 0.141 3.854 1.00 0.00 H new ATOM 0 HE2 MET A 38 -5.662 1.775 3.973 1.00 0.00 H new ATOM 0 HE3 MET A 38 -5.489 0.994 2.383 1.00 0.00 H new ATOM 468 N GLU A 39 -3.019 6.013 4.311 1.00 0.00 N ATOM 469 CA GLU A 39 -2.068 7.094 4.398 1.00 0.00 C ATOM 470 C GLU A 39 -0.797 6.701 3.656 1.00 0.00 C ATOM 471 O GLU A 39 -0.004 5.898 4.157 1.00 0.00 O ATOM 472 CB GLU A 39 -1.742 7.243 5.863 1.00 0.00 C ATOM 473 CG GLU A 39 -0.667 8.243 6.212 1.00 0.00 C ATOM 474 CD GLU A 39 -1.182 9.650 6.407 1.00 0.00 C ATOM 475 OE1 GLU A 39 -1.717 10.244 5.452 1.00 0.00 O ATOM 476 OE2 GLU A 39 -1.071 10.165 7.538 1.00 0.00 O ATOM 0 H GLU A 39 -3.060 5.446 5.158 1.00 0.00 H new ATOM 0 HA GLU A 39 -2.464 8.014 3.969 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -2.654 7.524 6.389 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -1.440 6.269 6.247 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -0.166 7.920 7.125 1.00 0.00 H new ATOM 0 HG3 GLU A 39 0.083 8.247 5.421 1.00 0.00 H new ATOM 483 N LEU A 40 -0.608 7.227 2.473 1.00 0.00 N ATOM 484 CA LEU A 40 0.508 6.819 1.652 1.00 0.00 C ATOM 485 C LEU A 40 1.777 7.604 1.952 1.00 0.00 C ATOM 486 O LEU A 40 2.053 8.611 1.318 1.00 0.00 O ATOM 487 CB LEU A 40 0.143 6.974 0.189 1.00 0.00 C ATOM 488 CG LEU A 40 -0.242 5.682 -0.511 1.00 0.00 C ATOM 489 CD1 LEU A 40 -0.567 5.989 -1.945 1.00 0.00 C ATOM 490 CD2 LEU A 40 0.908 4.688 -0.434 1.00 0.00 C ATOM 0 H LEU A 40 -1.210 7.937 2.056 1.00 0.00 H new ATOM 0 HA LEU A 40 0.716 5.774 1.884 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -0.687 7.676 0.108 1.00 0.00 H new ATOM 0 HB3 LEU A 40 0.988 7.418 -0.337 1.00 0.00 H new ATOM 0 HG LEU A 40 -1.112 5.241 -0.024 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -0.845 5.069 -2.460 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -1.397 6.694 -1.987 1.00 0.00 H new ATOM 0 HD13 LEU A 40 0.305 6.427 -2.430 1.00 0.00 H new ATOM 0 HD21 LEU A 40 0.625 3.764 -0.938 1.00 0.00 H new ATOM 0 HD22 LEU A 40 1.788 5.111 -0.919 1.00 0.00 H new ATOM 0 HD23 LEU A 40 1.136 4.476 0.611 1.00 0.00 H new ATOM 502 N THR A 41 2.566 7.137 2.900 1.00 0.00 N ATOM 503 CA THR A 41 3.830 7.790 3.177 1.00 0.00 C ATOM 504 C THR A 41 4.983 7.082 2.474 1.00 0.00 C ATOM 505 O THR A 41 4.755 6.205 1.640 1.00 0.00 O ATOM 506 CB THR A 41 4.124 7.887 4.669 1.00 0.00 C ATOM 507 OG1 THR A 41 4.236 6.584 5.258 1.00 0.00 O ATOM 508 CG2 THR A 41 3.045 8.683 5.382 1.00 0.00 C ATOM 0 H THR A 41 2.360 6.324 3.481 1.00 0.00 H new ATOM 0 HA THR A 41 3.738 8.804 2.788 1.00 0.00 H new ATOM 0 HB THR A 41 5.077 8.404 4.783 1.00 0.00 H new ATOM 0 HG1 THR A 41 3.349 6.171 5.309 1.00 0.00 H new ATOM 0 HG21 THR A 41 3.277 8.739 6.446 1.00 0.00 H new ATOM 0 HG22 THR A 41 3.002 9.690 4.967 1.00 0.00 H new ATOM 0 HG23 THR A 41 2.081 8.193 5.246 1.00 0.00 H new ATOM 516 N ASP A 42 6.212 7.463 2.828 1.00 0.00 N ATOM 517 CA ASP A 42 7.415 6.929 2.187 1.00 0.00 C ATOM 518 C ASP A 42 7.465 5.430 2.286 1.00 0.00 C ATOM 519 O ASP A 42 7.719 4.744 1.301 1.00 0.00 O ATOM 520 CB ASP A 42 8.690 7.492 2.820 1.00 0.00 C ATOM 521 CG ASP A 42 8.523 8.908 3.331 1.00 0.00 C ATOM 522 OD1 ASP A 42 8.365 9.835 2.508 1.00 0.00 O ATOM 523 OD2 ASP A 42 8.536 9.100 4.565 1.00 0.00 O ATOM 0 H ASP A 42 6.401 8.146 3.562 1.00 0.00 H new ATOM 0 HA ASP A 42 7.364 7.231 1.141 1.00 0.00 H new ATOM 0 HB2 ASP A 42 8.994 6.848 3.645 1.00 0.00 H new ATOM 0 HB3 ASP A 42 9.494 7.470 2.085 1.00 0.00 H new ATOM 528 N THR A 43 7.249 4.903 3.468 1.00 0.00 N ATOM 529 CA THR A 43 7.436 3.490 3.636 1.00 0.00 C ATOM 530 C THR A 43 6.266 2.793 4.298 1.00 0.00 C ATOM 531 O THR A 43 6.224 1.572 4.305 1.00 0.00 O ATOM 532 CB THR A 43 8.683 3.180 4.461 1.00 0.00 C ATOM 533 OG1 THR A 43 8.461 3.467 5.846 1.00 0.00 O ATOM 534 CG2 THR A 43 9.871 3.983 3.983 1.00 0.00 C ATOM 0 H THR A 43 6.954 5.414 4.300 1.00 0.00 H new ATOM 0 HA THR A 43 7.538 3.110 2.619 1.00 0.00 H new ATOM 0 HB THR A 43 8.894 2.118 4.335 1.00 0.00 H new ATOM 0 HG1 THR A 43 9.271 3.260 6.357 1.00 0.00 H new ATOM 0 HG21 THR A 43 10.743 3.740 4.590 1.00 0.00 H new ATOM 0 HG22 THR A 43 10.077 3.742 2.940 1.00 0.00 H new ATOM 0 HG23 THR A 43 9.651 5.047 4.073 1.00 0.00 H new ATOM 542 N GLU A 44 5.336 3.525 4.878 1.00 0.00 N ATOM 543 CA GLU A 44 4.217 2.866 5.525 1.00 0.00 C ATOM 544 C GLU A 44 2.886 3.403 5.062 1.00 0.00 C ATOM 545 O GLU A 44 2.625 4.605 5.060 1.00 0.00 O ATOM 546 CB GLU A 44 4.318 2.918 7.048 1.00 0.00 C ATOM 547 CG GLU A 44 5.110 1.764 7.632 1.00 0.00 C ATOM 548 CD GLU A 44 6.075 2.193 8.711 1.00 0.00 C ATOM 549 OE1 GLU A 44 7.116 2.780 8.377 1.00 0.00 O ATOM 550 OE2 GLU A 44 5.807 1.930 9.898 1.00 0.00 O ATOM 0 H GLU A 44 5.329 4.544 4.916 1.00 0.00 H new ATOM 0 HA GLU A 44 4.273 1.820 5.222 1.00 0.00 H new ATOM 0 HB2 GLU A 44 4.785 3.858 7.343 1.00 0.00 H new ATOM 0 HB3 GLU A 44 3.314 2.914 7.473 1.00 0.00 H new ATOM 0 HG2 GLU A 44 4.419 1.028 8.043 1.00 0.00 H new ATOM 0 HG3 GLU A 44 5.664 1.270 6.833 1.00 0.00 H new ATOM 557 N LEU A 45 2.068 2.474 4.655 1.00 0.00 N ATOM 558 CA LEU A 45 0.713 2.724 4.263 1.00 0.00 C ATOM 559 C LEU A 45 -0.181 2.687 5.484 1.00 0.00 C ATOM 560 O LEU A 45 -0.658 1.632 5.893 1.00 0.00 O ATOM 561 CB LEU A 45 0.330 1.654 3.249 1.00 0.00 C ATOM 562 CG LEU A 45 0.549 2.017 1.803 1.00 0.00 C ATOM 563 CD1 LEU A 45 0.976 0.801 1.018 1.00 0.00 C ATOM 564 CD2 LEU A 45 -0.723 2.545 1.230 1.00 0.00 C ATOM 0 H LEU A 45 2.336 1.492 4.585 1.00 0.00 H new ATOM 0 HA LEU A 45 0.600 3.709 3.810 1.00 0.00 H new ATOM 0 HB2 LEU A 45 0.900 0.751 3.468 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -0.723 1.408 3.388 1.00 0.00 H new ATOM 0 HG LEU A 45 1.331 2.774 1.743 1.00 0.00 H new ATOM 0 HD11 LEU A 45 1.131 1.077 -0.025 1.00 0.00 H new ATOM 0 HD12 LEU A 45 1.905 0.409 1.431 1.00 0.00 H new ATOM 0 HD13 LEU A 45 0.201 0.037 1.080 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.569 2.809 0.184 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -1.498 1.782 1.301 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -1.033 3.430 1.786 1.00 0.00 H new ATOM 576 N ILE A 46 -0.387 3.847 6.079 1.00 0.00 N ATOM 577 CA ILE A 46 -1.098 3.924 7.336 1.00 0.00 C ATOM 578 C ILE A 46 -2.620 3.922 7.083 1.00 0.00 C ATOM 579 O ILE A 46 -3.229 4.961 6.848 1.00 0.00 O ATOM 580 CB ILE A 46 -0.676 5.173 8.173 1.00 0.00 C ATOM 581 CG1 ILE A 46 0.845 5.267 8.319 1.00 0.00 C ATOM 582 CG2 ILE A 46 -1.317 5.100 9.513 1.00 0.00 C ATOM 583 CD1 ILE A 46 1.521 3.933 8.415 1.00 0.00 C ATOM 0 H ILE A 46 -0.072 4.745 5.712 1.00 0.00 H new ATOM 0 HA ILE A 46 -0.833 3.044 7.923 1.00 0.00 H new ATOM 0 HB ILE A 46 -1.009 6.069 7.649 1.00 0.00 H new ATOM 0 HG12 ILE A 46 1.251 5.810 7.466 1.00 0.00 H new ATOM 0 HG13 ILE A 46 1.081 5.850 9.209 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -1.027 5.969 10.103 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -2.401 5.085 9.398 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -0.994 4.192 10.022 1.00 0.00 H new ATOM 0 HD11 ILE A 46 2.597 4.077 8.516 1.00 0.00 H new ATOM 0 HD12 ILE A 46 1.143 3.395 9.285 1.00 0.00 H new ATOM 0 HD13 ILE A 46 1.316 3.355 7.514 1.00 0.00 H new ATOM 595 N LEU A 47 -3.225 2.741 7.121 1.00 0.00 N ATOM 596 CA LEU A 47 -4.669 2.596 6.938 1.00 0.00 C ATOM 597 C LEU A 47 -5.394 2.991 8.225 1.00 0.00 C ATOM 598 O LEU A 47 -5.288 2.294 9.225 1.00 0.00 O ATOM 599 CB LEU A 47 -5.028 1.138 6.676 1.00 0.00 C ATOM 600 CG LEU A 47 -6.500 0.756 6.925 1.00 0.00 C ATOM 601 CD1 LEU A 47 -7.387 0.976 5.709 1.00 0.00 C ATOM 602 CD2 LEU A 47 -6.556 -0.681 7.315 1.00 0.00 C ATOM 0 H LEU A 47 -2.735 1.860 7.278 1.00 0.00 H new ATOM 0 HA LEU A 47 -4.962 3.228 6.100 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -4.781 0.903 5.641 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -4.398 0.509 7.305 1.00 0.00 H new ATOM 0 HG LEU A 47 -6.879 1.403 7.716 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -8.411 0.688 5.949 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -7.362 2.028 5.426 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -7.024 0.369 4.879 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -7.592 -0.969 7.495 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -6.144 -1.292 6.512 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -5.973 -0.834 8.223 1.00 0.00 H new ATOM 614 N TYR A 48 -6.144 4.067 8.222 1.00 0.00 N ATOM 615 CA TYR A 48 -6.859 4.448 9.442 1.00 0.00 C ATOM 616 C TYR A 48 -8.195 3.727 9.486 1.00 0.00 C ATOM 617 O TYR A 48 -9.135 4.143 8.822 1.00 0.00 O ATOM 618 CB TYR A 48 -7.117 5.954 9.537 1.00 0.00 C ATOM 619 CG TYR A 48 -5.890 6.775 9.742 1.00 0.00 C ATOM 620 CD1 TYR A 48 -4.830 6.584 8.923 1.00 0.00 C ATOM 621 CD2 TYR A 48 -5.800 7.743 10.731 1.00 0.00 C ATOM 622 CE1 TYR A 48 -3.696 7.304 9.041 1.00 0.00 C ATOM 623 CE2 TYR A 48 -4.648 8.490 10.874 1.00 0.00 C ATOM 624 CZ TYR A 48 -3.591 8.268 10.019 1.00 0.00 C ATOM 625 OH TYR A 48 -2.441 9.013 10.131 1.00 0.00 O ATOM 0 H TYR A 48 -6.281 4.685 7.422 1.00 0.00 H new ATOM 0 HA TYR A 48 -6.225 4.166 10.282 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -7.612 6.284 8.624 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -7.807 6.141 10.360 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -4.894 5.832 8.151 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -6.636 7.913 11.393 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -2.870 7.125 8.369 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -4.576 9.240 11.648 1.00 0.00 H new ATOM 0 HH TYR A 48 -2.153 9.306 9.241 1.00 0.00 H new ATOM 635 N THR A 49 -8.294 2.655 10.252 1.00 0.00 N ATOM 636 CA THR A 49 -9.537 1.892 10.305 1.00 0.00 C ATOM 637 C THR A 49 -10.609 2.628 11.107 1.00 0.00 C ATOM 638 O THR A 49 -10.419 3.780 11.500 1.00 0.00 O ATOM 639 CB THR A 49 -9.326 0.522 10.923 1.00 0.00 C ATOM 640 OG1 THR A 49 -8.538 0.658 12.095 1.00 0.00 O ATOM 641 CG2 THR A 49 -8.664 -0.418 9.938 1.00 0.00 C ATOM 0 H THR A 49 -7.543 2.294 10.840 1.00 0.00 H new ATOM 0 HA THR A 49 -9.870 1.775 9.274 1.00 0.00 H new ATOM 0 HB THR A 49 -10.293 0.094 11.186 1.00 0.00 H new ATOM 0 HG1 THR A 49 -7.589 0.685 11.850 1.00 0.00 H new ATOM 0 HG21 THR A 49 -8.523 -1.393 10.404 1.00 0.00 H new ATOM 0 HG22 THR A 49 -9.296 -0.525 9.056 1.00 0.00 H new ATOM 0 HG23 THR A 49 -7.696 -0.014 9.644 1.00 0.00 H new ATOM 649 N ARG A 50 -11.732 1.968 11.357 1.00 0.00 N ATOM 650 CA ARG A 50 -12.789 2.571 12.151 1.00 0.00 C ATOM 651 C ARG A 50 -12.433 2.593 13.633 1.00 0.00 C ATOM 652 O ARG A 50 -12.151 3.649 14.202 1.00 0.00 O ATOM 653 CB ARG A 50 -14.080 1.798 11.953 1.00 0.00 C ATOM 654 CG ARG A 50 -15.141 2.591 11.223 1.00 0.00 C ATOM 655 CD ARG A 50 -15.668 3.737 12.070 1.00 0.00 C ATOM 656 NE ARG A 50 -16.862 4.338 11.476 1.00 0.00 N ATOM 657 CZ ARG A 50 -17.468 5.430 11.938 1.00 0.00 C ATOM 658 NH1 ARG A 50 -16.955 6.106 12.958 1.00 0.00 N ATOM 659 NH2 ARG A 50 -18.577 5.862 11.352 1.00 0.00 N ATOM 0 H ARG A 50 -11.932 1.025 11.025 1.00 0.00 H new ATOM 0 HA ARG A 50 -12.914 3.601 11.817 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -13.868 0.886 11.395 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -14.467 1.494 12.926 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -14.727 2.985 10.295 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -15.965 1.932 10.950 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -15.902 3.374 13.071 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -14.893 4.496 12.179 1.00 0.00 H new ATOM 0 HE ARG A 50 -17.258 3.889 10.650 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -16.089 5.790 13.395 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -17.426 6.941 13.305 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -18.961 5.358 10.552 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -19.046 6.698 11.701 1.00 0.00 H new ATOM 673 N LYS A 51 -12.446 1.421 14.248 1.00 0.00 N ATOM 674 CA LYS A 51 -12.191 1.293 15.676 1.00 0.00 C ATOM 675 C LYS A 51 -10.952 0.447 15.959 1.00 0.00 C ATOM 676 O LYS A 51 -10.652 0.123 17.108 1.00 0.00 O ATOM 677 CB LYS A 51 -13.431 0.732 16.339 1.00 0.00 C ATOM 678 CG LYS A 51 -14.573 1.734 16.373 1.00 0.00 C ATOM 679 CD LYS A 51 -14.409 2.676 17.549 1.00 0.00 C ATOM 680 CE LYS A 51 -13.795 3.995 17.151 1.00 0.00 C ATOM 681 NZ LYS A 51 -14.697 4.815 16.305 1.00 0.00 N ATOM 0 H LYS A 51 -12.632 0.536 13.776 1.00 0.00 H new ATOM 0 HA LYS A 51 -11.976 2.276 16.096 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -13.752 -0.163 15.805 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -13.189 0.426 17.357 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -14.595 2.302 15.443 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -15.525 1.209 16.449 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -15.382 2.855 18.005 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -13.784 2.202 18.306 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -13.536 4.556 18.049 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -12.866 3.810 16.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -14.385 5.807 16.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -14.670 4.463 15.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -15.669 4.750 16.670 1.00 0.00 H new ATOM 695 N ARG A 52 -10.249 0.097 14.897 1.00 0.00 N ATOM 696 CA ARG A 52 -9.079 -0.776 14.966 1.00 0.00 C ATOM 697 C ARG A 52 -7.797 0.050 15.060 1.00 0.00 C ATOM 698 O ARG A 52 -6.724 -0.456 15.400 1.00 0.00 O ATOM 699 CB ARG A 52 -9.049 -1.610 13.711 1.00 0.00 C ATOM 700 CG ARG A 52 -7.997 -2.670 13.715 1.00 0.00 C ATOM 701 CD ARG A 52 -8.600 -3.995 14.094 1.00 0.00 C ATOM 702 NE ARG A 52 -7.654 -5.107 14.010 1.00 0.00 N ATOM 703 CZ ARG A 52 -7.849 -6.194 13.261 1.00 0.00 C ATOM 704 NH1 ARG A 52 -8.950 -6.316 12.531 1.00 0.00 N ATOM 705 NH2 ARG A 52 -6.949 -7.167 13.255 1.00 0.00 N ATOM 0 H ARG A 52 -10.472 0.410 13.952 1.00 0.00 H new ATOM 0 HA ARG A 52 -9.142 -1.408 15.851 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -10.023 -2.079 13.575 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -8.888 -0.955 12.855 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -7.536 -2.740 12.730 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -7.207 -2.407 14.418 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -8.987 -3.932 15.111 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -9.449 -4.200 13.442 1.00 0.00 H new ATOM 0 HE ARG A 52 -6.795 -5.048 14.556 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -9.653 -5.577 12.540 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -9.094 -7.149 11.960 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -6.106 -7.085 13.823 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -7.099 -7.997 12.682 1.00 0.00 H new ATOM 719 N ASP A 53 -7.956 1.317 14.703 1.00 0.00 N ATOM 720 CA ASP A 53 -6.912 2.333 14.719 1.00 0.00 C ATOM 721 C ASP A 53 -6.035 2.265 13.479 1.00 0.00 C ATOM 722 O ASP A 53 -6.141 1.338 12.677 1.00 0.00 O ATOM 723 CB ASP A 53 -6.116 2.246 16.011 1.00 0.00 C ATOM 724 CG ASP A 53 -4.766 2.944 15.978 1.00 0.00 C ATOM 725 OD1 ASP A 53 -4.731 4.186 16.112 1.00 0.00 O ATOM 726 OD2 ASP A 53 -3.738 2.263 15.793 1.00 0.00 O ATOM 0 H ASP A 53 -8.853 1.680 14.381 1.00 0.00 H new ATOM 0 HA ASP A 53 -7.384 3.315 14.690 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -6.711 2.675 16.817 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -5.960 1.195 16.255 1.00 0.00 H new ATOM 731 N SER A 54 -5.227 3.296 13.304 1.00 0.00 N ATOM 732 CA SER A 54 -4.308 3.394 12.192 1.00 0.00 C ATOM 733 C SER A 54 -3.481 2.133 12.060 1.00 0.00 C ATOM 734 O SER A 54 -2.530 1.901 12.804 1.00 0.00 O ATOM 735 CB SER A 54 -3.393 4.598 12.359 1.00 0.00 C ATOM 736 OG SER A 54 -2.809 4.619 13.652 1.00 0.00 O ATOM 0 H SER A 54 -5.193 4.094 13.938 1.00 0.00 H new ATOM 0 HA SER A 54 -4.896 3.520 11.283 1.00 0.00 H new ATOM 0 HB2 SER A 54 -2.609 4.571 11.603 1.00 0.00 H new ATOM 0 HB3 SER A 54 -3.960 5.515 12.197 1.00 0.00 H new ATOM 0 HG SER A 54 -2.545 3.710 13.906 1.00 0.00 H new ATOM 742 N VAL A 55 -3.890 1.317 11.129 1.00 0.00 N ATOM 743 CA VAL A 55 -3.127 0.170 10.715 1.00 0.00 C ATOM 744 C VAL A 55 -2.037 0.662 9.796 1.00 0.00 C ATOM 745 O VAL A 55 -2.134 1.763 9.270 1.00 0.00 O ATOM 746 CB VAL A 55 -3.992 -0.832 9.956 1.00 0.00 C ATOM 747 CG1 VAL A 55 -3.274 -2.122 9.772 1.00 0.00 C ATOM 748 CG2 VAL A 55 -5.298 -1.086 10.657 1.00 0.00 C ATOM 0 H VAL A 55 -4.772 1.430 10.630 1.00 0.00 H new ATOM 0 HA VAL A 55 -2.724 -0.332 11.595 1.00 0.00 H new ATOM 0 HB VAL A 55 -4.202 -0.392 8.981 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -3.912 -2.819 9.228 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -2.358 -1.951 9.206 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -3.025 -2.542 10.747 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -5.884 -1.805 10.085 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -5.105 -1.486 11.652 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -5.853 -0.152 10.743 1.00 0.00 H new ATOM 758 N LYS A 56 -0.995 -0.106 9.610 1.00 0.00 N ATOM 759 CA LYS A 56 0.100 0.358 8.766 1.00 0.00 C ATOM 760 C LYS A 56 0.557 -0.742 7.814 1.00 0.00 C ATOM 761 O LYS A 56 0.470 -1.928 8.150 1.00 0.00 O ATOM 762 CB LYS A 56 1.331 0.808 9.559 1.00 0.00 C ATOM 763 CG LYS A 56 1.133 1.289 10.993 1.00 0.00 C ATOM 764 CD LYS A 56 0.101 2.375 11.203 1.00 0.00 C ATOM 765 CE LYS A 56 0.788 3.649 11.650 1.00 0.00 C ATOM 766 NZ LYS A 56 -0.063 4.502 12.519 1.00 0.00 N ATOM 0 H LYS A 56 -0.872 -1.034 10.015 1.00 0.00 H new ATOM 0 HA LYS A 56 -0.304 1.213 8.225 1.00 0.00 H new ATOM 0 HB2 LYS A 56 2.034 -0.025 9.582 1.00 0.00 H new ATOM 0 HB3 LYS A 56 1.809 1.613 9.001 1.00 0.00 H new ATOM 0 HG2 LYS A 56 0.855 0.431 11.606 1.00 0.00 H new ATOM 0 HG3 LYS A 56 2.091 1.651 11.367 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -0.449 2.552 10.279 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -0.626 2.060 11.952 1.00 0.00 H new ATOM 0 HE2 LYS A 56 1.701 3.392 12.187 1.00 0.00 H new ATOM 0 HE3 LYS A 56 1.086 4.221 10.771 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -0.365 5.345 11.990 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -0.900 3.964 12.820 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 0.480 4.795 13.356 1.00 0.00 H new ATOM 780 N TRP A 57 1.053 -0.347 6.640 1.00 0.00 N ATOM 781 CA TRP A 57 1.663 -1.289 5.709 1.00 0.00 C ATOM 782 C TRP A 57 2.988 -0.803 5.173 1.00 0.00 C ATOM 783 O TRP A 57 3.045 0.085 4.329 1.00 0.00 O ATOM 784 CB TRP A 57 0.728 -1.648 4.568 1.00 0.00 C ATOM 785 CG TRP A 57 -0.133 -2.779 4.981 1.00 0.00 C ATOM 786 CD1 TRP A 57 0.172 -4.099 4.884 1.00 0.00 C ATOM 787 CD2 TRP A 57 -1.404 -2.699 5.608 1.00 0.00 C ATOM 788 NE1 TRP A 57 -0.849 -4.855 5.400 1.00 0.00 N ATOM 789 CE2 TRP A 57 -1.830 -4.014 5.851 1.00 0.00 C ATOM 790 CE3 TRP A 57 -2.227 -1.641 5.975 1.00 0.00 C ATOM 791 CZ2 TRP A 57 -3.045 -4.294 6.453 1.00 0.00 C ATOM 792 CZ3 TRP A 57 -3.429 -1.924 6.569 1.00 0.00 C ATOM 793 CH2 TRP A 57 -3.828 -3.237 6.804 1.00 0.00 C ATOM 0 H TRP A 57 1.043 0.620 6.314 1.00 0.00 H new ATOM 0 HA TRP A 57 1.856 -2.193 6.287 1.00 0.00 H new ATOM 0 HB2 TRP A 57 0.115 -0.788 4.300 1.00 0.00 H new ATOM 0 HB3 TRP A 57 1.303 -1.918 3.682 1.00 0.00 H new ATOM 0 HD1 TRP A 57 1.084 -4.495 4.463 1.00 0.00 H new ATOM 0 HE1 TRP A 57 -0.873 -5.874 5.441 1.00 0.00 H new ATOM 0 HE3 TRP A 57 -1.926 -0.619 5.796 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 -3.359 -5.311 6.637 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 -4.080 -1.113 6.861 1.00 0.00 H new ATOM 0 HH2 TRP A 57 -4.782 -3.421 7.276 1.00 0.00 H new ATOM 804 N HIS A 58 4.060 -1.407 5.655 1.00 0.00 N ATOM 805 CA HIS A 58 5.382 -1.017 5.222 1.00 0.00 C ATOM 806 C HIS A 58 5.647 -1.522 3.796 1.00 0.00 C ATOM 807 O HIS A 58 5.236 -2.613 3.409 1.00 0.00 O ATOM 808 CB HIS A 58 6.462 -1.522 6.185 1.00 0.00 C ATOM 809 CG HIS A 58 7.789 -0.896 5.910 1.00 0.00 C ATOM 810 ND1 HIS A 58 8.703 -1.432 5.032 1.00 0.00 N ATOM 811 CD2 HIS A 58 8.301 0.284 6.310 1.00 0.00 C ATOM 812 CE1 HIS A 58 9.713 -0.593 4.884 1.00 0.00 C ATOM 813 NE2 HIS A 58 9.493 0.450 5.654 1.00 0.00 N ATOM 0 H HIS A 58 4.038 -2.162 6.340 1.00 0.00 H new ATOM 0 HA HIS A 58 5.426 0.072 5.223 1.00 0.00 H new ATOM 0 HB2 HIS A 58 6.164 -1.305 7.211 1.00 0.00 H new ATOM 0 HB3 HIS A 58 6.547 -2.605 6.100 1.00 0.00 H new ATOM 0 HD2 HIS A 58 7.856 0.970 7.015 1.00 0.00 H new ATOM 0 HE1 HIS A 58 10.570 -0.738 4.243 1.00 0.00 H new ATOM 0 HE2 HIS A 58 10.112 1.255 5.748 1.00 0.00 H new ATOM 822 N TYR A 59 6.341 -0.691 3.036 1.00 0.00 N ATOM 823 CA TYR A 59 6.593 -0.900 1.613 1.00 0.00 C ATOM 824 C TYR A 59 7.441 -2.131 1.337 1.00 0.00 C ATOM 825 O TYR A 59 7.320 -2.758 0.288 1.00 0.00 O ATOM 826 CB TYR A 59 7.291 0.335 1.065 1.00 0.00 C ATOM 827 CG TYR A 59 6.351 1.426 0.667 1.00 0.00 C ATOM 828 CD1 TYR A 59 5.229 1.692 1.422 1.00 0.00 C ATOM 829 CD2 TYR A 59 6.568 2.162 -0.474 1.00 0.00 C ATOM 830 CE1 TYR A 59 4.342 2.672 1.059 1.00 0.00 C ATOM 831 CE2 TYR A 59 5.696 3.149 -0.850 1.00 0.00 C ATOM 832 CZ TYR A 59 4.586 3.406 -0.083 1.00 0.00 C ATOM 833 OH TYR A 59 3.731 4.400 -0.460 1.00 0.00 O ATOM 0 H TYR A 59 6.756 0.168 3.396 1.00 0.00 H new ATOM 0 HA TYR A 59 5.634 -1.065 1.122 1.00 0.00 H new ATOM 0 HB2 TYR A 59 7.980 0.717 1.818 1.00 0.00 H new ATOM 0 HB3 TYR A 59 7.890 0.050 0.200 1.00 0.00 H new ATOM 0 HD1 TYR A 59 5.045 1.117 2.317 1.00 0.00 H new ATOM 0 HD2 TYR A 59 7.437 1.959 -1.082 1.00 0.00 H new ATOM 0 HE1 TYR A 59 3.465 2.867 1.658 1.00 0.00 H new ATOM 0 HE2 TYR A 59 5.881 3.723 -1.746 1.00 0.00 H new ATOM 0 HH TYR A 59 3.864 5.182 0.116 1.00 0.00 H new ATOM 843 N LEU A 60 8.303 -2.464 2.281 1.00 0.00 N ATOM 844 CA LEU A 60 9.121 -3.672 2.202 1.00 0.00 C ATOM 845 C LEU A 60 8.292 -4.883 2.568 1.00 0.00 C ATOM 846 O LEU A 60 8.814 -5.932 2.917 1.00 0.00 O ATOM 847 CB LEU A 60 10.337 -3.571 3.119 1.00 0.00 C ATOM 848 CG LEU A 60 11.644 -3.200 2.428 1.00 0.00 C ATOM 849 CD1 LEU A 60 12.139 -4.326 1.526 1.00 0.00 C ATOM 850 CD2 LEU A 60 11.450 -1.940 1.637 1.00 0.00 C ATOM 0 H LEU A 60 8.459 -1.910 3.123 1.00 0.00 H new ATOM 0 HA LEU A 60 9.477 -3.778 1.177 1.00 0.00 H new ATOM 0 HB2 LEU A 60 10.129 -2.829 3.890 1.00 0.00 H new ATOM 0 HB3 LEU A 60 10.471 -4.527 3.624 1.00 0.00 H new ATOM 0 HG LEU A 60 12.404 -3.037 3.192 1.00 0.00 H new ATOM 0 HD11 LEU A 60 13.073 -4.027 1.050 1.00 0.00 H new ATOM 0 HD12 LEU A 60 12.307 -5.223 2.122 1.00 0.00 H new ATOM 0 HD13 LEU A 60 11.392 -4.534 0.760 1.00 0.00 H new ATOM 0 HD21 LEU A 60 12.384 -1.674 1.142 1.00 0.00 H new ATOM 0 HD22 LEU A 60 10.674 -2.097 0.887 1.00 0.00 H new ATOM 0 HD23 LEU A 60 11.151 -1.133 2.306 1.00 0.00 H new ATOM 862 N CYS A 61 6.996 -4.716 2.541 1.00 0.00 N ATOM 863 CA CYS A 61 6.111 -5.798 2.861 1.00 0.00 C ATOM 864 C CYS A 61 5.059 -5.954 1.777 1.00 0.00 C ATOM 865 O CYS A 61 4.524 -7.042 1.592 1.00 0.00 O ATOM 866 CB CYS A 61 5.467 -5.571 4.227 1.00 0.00 C ATOM 867 SG CYS A 61 4.979 -7.091 5.067 1.00 0.00 S ATOM 0 H CYS A 61 6.532 -3.840 2.300 1.00 0.00 H new ATOM 0 HA CYS A 61 6.686 -6.723 2.910 1.00 0.00 H new ATOM 0 HB2 CYS A 61 6.166 -5.025 4.861 1.00 0.00 H new ATOM 0 HB3 CYS A 61 4.588 -4.938 4.103 1.00 0.00 H new ATOM 0 HG CYS A 61 4.445 -6.800 6.216 1.00 0.00 H new ATOM 873 N LEU A 62 4.773 -4.868 1.056 1.00 0.00 N ATOM 874 CA LEU A 62 3.849 -4.917 -0.071 1.00 0.00 C ATOM 875 C LEU A 62 4.421 -5.762 -1.206 1.00 0.00 C ATOM 876 O LEU A 62 4.943 -5.209 -2.159 1.00 0.00 O ATOM 877 CB LEU A 62 3.601 -3.519 -0.653 1.00 0.00 C ATOM 878 CG LEU A 62 2.822 -2.485 0.175 1.00 0.00 C ATOM 879 CD1 LEU A 62 1.778 -1.824 -0.695 1.00 0.00 C ATOM 880 CD2 LEU A 62 2.154 -3.077 1.395 1.00 0.00 C ATOM 0 H LEU A 62 5.170 -3.946 1.235 1.00 0.00 H new ATOM 0 HA LEU A 62 2.923 -5.345 0.312 1.00 0.00 H new ATOM 0 HB2 LEU A 62 4.573 -3.085 -0.888 1.00 0.00 H new ATOM 0 HB3 LEU A 62 3.073 -3.647 -1.598 1.00 0.00 H new ATOM 0 HG LEU A 62 3.549 -1.756 0.532 1.00 0.00 H new ATOM 0 HD11 LEU A 62 1.226 -1.091 -0.107 1.00 0.00 H new ATOM 0 HD12 LEU A 62 2.265 -1.325 -1.533 1.00 0.00 H new ATOM 0 HD13 LEU A 62 1.089 -2.579 -1.074 1.00 0.00 H new ATOM 0 HD21 LEU A 62 1.622 -2.294 1.934 1.00 0.00 H new ATOM 0 HD22 LEU A 62 1.449 -3.848 1.085 1.00 0.00 H new ATOM 0 HD23 LEU A 62 2.910 -3.517 2.046 1.00 0.00 H new ATOM 892 N ARG A 63 4.310 -7.082 -1.116 1.00 0.00 N ATOM 893 CA ARG A 63 4.749 -7.959 -2.199 1.00 0.00 C ATOM 894 C ARG A 63 4.075 -7.538 -3.486 1.00 0.00 C ATOM 895 O ARG A 63 4.712 -7.388 -4.525 1.00 0.00 O ATOM 896 CB ARG A 63 4.381 -9.411 -1.923 1.00 0.00 C ATOM 897 CG ARG A 63 5.049 -10.023 -0.712 1.00 0.00 C ATOM 898 CD ARG A 63 4.611 -11.465 -0.567 1.00 0.00 C ATOM 899 NE ARG A 63 5.265 -12.155 0.537 1.00 0.00 N ATOM 900 CZ ARG A 63 4.803 -13.300 1.046 1.00 0.00 C ATOM 901 NH1 ARG A 63 3.650 -13.797 0.607 1.00 0.00 N ATOM 902 NH2 ARG A 63 5.482 -13.937 1.993 1.00 0.00 N ATOM 0 H ARG A 63 3.922 -7.569 -0.308 1.00 0.00 H new ATOM 0 HA ARG A 63 5.833 -7.877 -2.278 1.00 0.00 H new ATOM 0 HB2 ARG A 63 3.301 -9.478 -1.795 1.00 0.00 H new ATOM 0 HB3 ARG A 63 4.636 -10.007 -2.799 1.00 0.00 H new ATOM 0 HG2 ARG A 63 6.133 -9.970 -0.816 1.00 0.00 H new ATOM 0 HG3 ARG A 63 4.787 -9.461 0.184 1.00 0.00 H new ATOM 0 HD2 ARG A 63 3.532 -11.497 -0.419 1.00 0.00 H new ATOM 0 HD3 ARG A 63 4.821 -11.997 -1.495 1.00 0.00 H new ATOM 0 HE ARG A 63 6.110 -11.747 0.937 1.00 0.00 H new ATOM 0 HH11 ARG A 63 3.124 -13.304 -0.115 1.00 0.00 H new ATOM 0 HH12 ARG A 63 3.292 -14.671 0.992 1.00 0.00 H new ATOM 0 HH21 ARG A 63 6.362 -13.552 2.336 1.00 0.00 H new ATOM 0 HH22 ARG A 63 5.123 -14.811 2.377 1.00 0.00 H new ATOM 916 N ARG A 64 2.769 -7.349 -3.398 1.00 0.00 N ATOM 917 CA ARG A 64 2.003 -6.868 -4.526 1.00 0.00 C ATOM 918 C ARG A 64 1.079 -5.755 -4.078 1.00 0.00 C ATOM 919 O ARG A 64 0.899 -5.562 -2.889 1.00 0.00 O ATOM 920 CB ARG A 64 1.251 -8.015 -5.210 1.00 0.00 C ATOM 921 CG ARG A 64 0.124 -8.649 -4.452 1.00 0.00 C ATOM 922 CD ARG A 64 -0.332 -9.896 -5.200 1.00 0.00 C ATOM 923 NE ARG A 64 0.553 -11.039 -4.956 1.00 0.00 N ATOM 924 CZ ARG A 64 1.386 -11.565 -5.859 1.00 0.00 C ATOM 925 NH1 ARG A 64 1.486 -11.035 -7.073 1.00 0.00 N ATOM 926 NH2 ARG A 64 2.124 -12.621 -5.540 1.00 0.00 N ATOM 0 H ARG A 64 2.221 -7.522 -2.555 1.00 0.00 H new ATOM 0 HA ARG A 64 2.681 -6.457 -5.274 1.00 0.00 H new ATOM 0 HB2 ARG A 64 0.854 -7.642 -6.154 1.00 0.00 H new ATOM 0 HB3 ARG A 64 1.974 -8.794 -5.453 1.00 0.00 H new ATOM 0 HG2 ARG A 64 0.447 -8.911 -3.444 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -0.704 -7.947 -4.349 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -1.346 -10.151 -4.894 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -0.365 -9.685 -6.269 1.00 0.00 H new ATOM 0 HE ARG A 64 0.531 -11.464 -4.029 1.00 0.00 H new ATOM 0 HH11 ARG A 64 0.925 -10.221 -7.322 1.00 0.00 H new ATOM 0 HH12 ARG A 64 2.124 -11.443 -7.756 1.00 0.00 H new ATOM 0 HH21 ARG A 64 2.054 -13.029 -4.608 1.00 0.00 H new ATOM 0 HH22 ARG A 64 2.761 -13.025 -6.227 1.00 0.00 H new ATOM 940 N TYR A 65 0.552 -4.992 -5.024 1.00 0.00 N ATOM 941 CA TYR A 65 -0.304 -3.849 -4.718 1.00 0.00 C ATOM 942 C TYR A 65 -0.959 -3.328 -5.975 1.00 0.00 C ATOM 943 O TYR A 65 -0.336 -3.290 -7.028 1.00 0.00 O ATOM 944 CB TYR A 65 0.485 -2.748 -4.012 1.00 0.00 C ATOM 945 CG TYR A 65 1.761 -2.332 -4.708 1.00 0.00 C ATOM 946 CD1 TYR A 65 2.873 -3.161 -4.731 1.00 0.00 C ATOM 947 CD2 TYR A 65 1.864 -1.094 -5.309 1.00 0.00 C ATOM 948 CE1 TYR A 65 4.038 -2.769 -5.348 1.00 0.00 C ATOM 949 CE2 TYR A 65 3.018 -0.694 -5.915 1.00 0.00 C ATOM 950 CZ TYR A 65 4.108 -1.529 -5.940 1.00 0.00 C ATOM 951 OH TYR A 65 5.270 -1.122 -6.555 1.00 0.00 O ATOM 0 H TYR A 65 0.703 -5.144 -6.021 1.00 0.00 H new ATOM 0 HA TYR A 65 -1.089 -4.181 -4.038 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -0.156 -1.873 -3.906 1.00 0.00 H new ATOM 0 HB3 TYR A 65 0.731 -3.086 -3.005 1.00 0.00 H new ATOM 0 HD1 TYR A 65 2.823 -4.130 -4.257 1.00 0.00 H new ATOM 0 HD2 TYR A 65 1.013 -0.429 -5.299 1.00 0.00 H new ATOM 0 HE1 TYR A 65 4.892 -3.430 -5.368 1.00 0.00 H new ATOM 0 HE2 TYR A 65 3.075 0.281 -6.376 1.00 0.00 H new ATOM 0 HH TYR A 65 5.898 -0.790 -5.880 1.00 0.00 H new ATOM 961 N GLY A 66 -2.223 -2.945 -5.871 1.00 0.00 N ATOM 962 CA GLY A 66 -3.000 -2.721 -7.064 1.00 0.00 C ATOM 963 C GLY A 66 -4.104 -1.717 -6.929 1.00 0.00 C ATOM 964 O GLY A 66 -4.197 -0.970 -5.956 1.00 0.00 O ATOM 0 H GLY A 66 -2.716 -2.788 -4.992 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -2.329 -2.395 -7.859 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -3.431 -3.671 -7.381 1.00 0.00 H new ATOM 968 N TYR A 67 -4.985 -1.801 -7.903 1.00 0.00 N ATOM 969 CA TYR A 67 -6.045 -0.841 -8.128 1.00 0.00 C ATOM 970 C TYR A 67 -7.045 -1.439 -9.118 1.00 0.00 C ATOM 971 O TYR A 67 -6.646 -1.927 -10.175 1.00 0.00 O ATOM 972 CB TYR A 67 -5.441 0.448 -8.703 1.00 0.00 C ATOM 973 CG TYR A 67 -6.329 1.165 -9.696 1.00 0.00 C ATOM 974 CD1 TYR A 67 -7.589 1.596 -9.329 1.00 0.00 C ATOM 975 CD2 TYR A 67 -5.900 1.422 -10.992 1.00 0.00 C ATOM 976 CE1 TYR A 67 -8.406 2.261 -10.212 1.00 0.00 C ATOM 977 CE2 TYR A 67 -6.711 2.088 -11.892 1.00 0.00 C ATOM 978 CZ TYR A 67 -7.966 2.508 -11.496 1.00 0.00 C ATOM 979 OH TYR A 67 -8.780 3.174 -12.386 1.00 0.00 O ATOM 0 H TYR A 67 -4.983 -2.563 -8.581 1.00 0.00 H new ATOM 0 HA TYR A 67 -6.554 -0.609 -7.192 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -5.214 1.127 -7.881 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -4.495 0.207 -9.188 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -7.940 1.406 -8.325 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -4.918 1.097 -11.301 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -9.387 2.588 -9.902 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -6.366 2.279 -12.897 1.00 0.00 H new ATOM 0 HH TYR A 67 -8.893 4.103 -12.094 1.00 0.00 H new ATOM 989 N ASP A 68 -8.324 -1.456 -8.761 1.00 0.00 N ATOM 990 CA ASP A 68 -9.359 -1.785 -9.722 1.00 0.00 C ATOM 991 C ASP A 68 -10.699 -1.180 -9.345 1.00 0.00 C ATOM 992 O ASP A 68 -11.265 -1.542 -8.331 1.00 0.00 O ATOM 993 CB ASP A 68 -9.523 -3.278 -9.874 1.00 0.00 C ATOM 994 CG ASP A 68 -10.447 -3.617 -11.047 1.00 0.00 C ATOM 995 OD1 ASP A 68 -11.691 -3.588 -10.898 1.00 0.00 O ATOM 996 OD2 ASP A 68 -9.927 -3.891 -12.148 1.00 0.00 O ATOM 0 H ASP A 68 -8.663 -1.247 -7.822 1.00 0.00 H new ATOM 0 HA ASP A 68 -9.034 -1.359 -10.671 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -8.548 -3.740 -10.031 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -9.930 -3.697 -8.954 1.00 0.00 H new ATOM 1001 N SER A 69 -11.198 -0.258 -10.157 1.00 0.00 N ATOM 1002 CA SER A 69 -12.543 0.286 -9.973 1.00 0.00 C ATOM 1003 C SER A 69 -12.767 0.754 -8.529 1.00 0.00 C ATOM 1004 O SER A 69 -13.710 0.317 -7.863 1.00 0.00 O ATOM 1005 CB SER A 69 -13.580 -0.777 -10.350 1.00 0.00 C ATOM 1006 OG SER A 69 -13.211 -1.448 -11.550 1.00 0.00 O ATOM 0 H SER A 69 -10.693 0.132 -10.953 1.00 0.00 H new ATOM 0 HA SER A 69 -12.654 1.154 -10.623 1.00 0.00 H new ATOM 0 HB2 SER A 69 -13.676 -1.500 -9.540 1.00 0.00 H new ATOM 0 HB3 SER A 69 -14.556 -0.309 -10.477 1.00 0.00 H new ATOM 0 HG SER A 69 -12.544 -2.137 -11.348 1.00 0.00 H new ATOM 1012 N ASN A 70 -11.881 1.632 -8.056 1.00 0.00 N ATOM 1013 CA ASN A 70 -11.909 2.126 -6.672 1.00 0.00 C ATOM 1014 C ASN A 70 -11.638 1.000 -5.666 1.00 0.00 C ATOM 1015 O ASN A 70 -12.132 1.029 -4.545 1.00 0.00 O ATOM 1016 CB ASN A 70 -13.230 2.802 -6.336 1.00 0.00 C ATOM 1017 CG ASN A 70 -13.534 4.002 -7.209 1.00 0.00 C ATOM 1018 OD1 ASN A 70 -12.632 4.714 -7.652 1.00 0.00 O ATOM 1019 ND2 ASN A 70 -14.812 4.234 -7.454 1.00 0.00 N ATOM 0 H ASN A 70 -11.124 2.022 -8.618 1.00 0.00 H new ATOM 0 HA ASN A 70 -11.113 2.867 -6.595 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -14.037 2.076 -6.437 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -13.213 3.117 -5.293 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -15.084 5.030 -8.031 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -15.526 3.617 -7.066 1.00 0.00 H new ATOM 1026 N LEU A 71 -10.878 0.002 -6.083 1.00 0.00 N ATOM 1027 CA LEU A 71 -10.376 -1.029 -5.176 1.00 0.00 C ATOM 1028 C LEU A 71 -8.836 -0.949 -5.184 1.00 0.00 C ATOM 1029 O LEU A 71 -8.226 -1.247 -6.196 1.00 0.00 O ATOM 1030 CB LEU A 71 -10.822 -2.432 -5.684 1.00 0.00 C ATOM 1031 CG LEU A 71 -11.645 -3.335 -4.732 1.00 0.00 C ATOM 1032 CD1 LEU A 71 -11.302 -4.822 -4.847 1.00 0.00 C ATOM 1033 CD2 LEU A 71 -11.497 -2.917 -3.293 1.00 0.00 C ATOM 0 H LEU A 71 -10.590 -0.121 -7.054 1.00 0.00 H new ATOM 0 HA LEU A 71 -10.766 -0.877 -4.170 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -11.408 -2.285 -6.591 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -9.925 -2.982 -5.970 1.00 0.00 H new ATOM 0 HG LEU A 71 -12.678 -3.201 -5.054 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -11.917 -5.392 -4.151 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -11.495 -5.162 -5.864 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -10.249 -4.972 -4.607 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -12.090 -3.576 -2.660 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -10.449 -2.981 -3.002 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -11.845 -1.891 -3.175 1.00 0.00 H new ATOM 1045 N PHE A 72 -8.197 -0.539 -4.089 1.00 0.00 N ATOM 1046 CA PHE A 72 -6.727 -0.539 -4.027 1.00 0.00 C ATOM 1047 C PHE A 72 -6.281 -1.678 -3.132 1.00 0.00 C ATOM 1048 O PHE A 72 -6.877 -1.921 -2.092 1.00 0.00 O ATOM 1049 CB PHE A 72 -6.140 0.814 -3.545 1.00 0.00 C ATOM 1050 CG PHE A 72 -5.103 0.722 -2.460 1.00 0.00 C ATOM 1051 CD1 PHE A 72 -5.483 0.728 -1.137 1.00 0.00 C ATOM 1052 CD2 PHE A 72 -3.744 0.644 -2.755 1.00 0.00 C ATOM 1053 CE1 PHE A 72 -4.537 0.663 -0.147 1.00 0.00 C ATOM 1054 CE2 PHE A 72 -2.812 0.583 -1.768 1.00 0.00 C ATOM 1055 CZ PHE A 72 -3.202 0.594 -0.474 1.00 0.00 C ATOM 0 H PHE A 72 -8.660 -0.207 -3.243 1.00 0.00 H new ATOM 0 HA PHE A 72 -6.343 -0.681 -5.037 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -5.700 1.324 -4.402 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -6.959 1.439 -3.188 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -6.530 0.784 -0.878 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -3.425 0.632 -3.787 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -4.839 0.666 0.890 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -1.763 0.526 -2.017 1.00 0.00 H new ATOM 0 HZ PHE A 72 -2.460 0.548 0.310 1.00 0.00 H new ATOM 1065 N SER A 73 -5.252 -2.384 -3.532 1.00 0.00 N ATOM 1066 CA SER A 73 -4.845 -3.560 -2.798 1.00 0.00 C ATOM 1067 C SER A 73 -3.340 -3.617 -2.606 1.00 0.00 C ATOM 1068 O SER A 73 -2.602 -2.827 -3.192 1.00 0.00 O ATOM 1069 CB SER A 73 -5.317 -4.798 -3.534 1.00 0.00 C ATOM 1070 OG SER A 73 -4.913 -5.987 -2.880 1.00 0.00 O ATOM 0 H SER A 73 -4.685 -2.169 -4.353 1.00 0.00 H new ATOM 0 HA SER A 73 -5.299 -3.514 -1.808 1.00 0.00 H new ATOM 0 HB2 SER A 73 -6.404 -4.780 -3.615 1.00 0.00 H new ATOM 0 HB3 SER A 73 -4.921 -4.790 -4.550 1.00 0.00 H new ATOM 0 HG SER A 73 -5.178 -5.948 -1.937 1.00 0.00 H new ATOM 1076 N PHE A 74 -2.912 -4.548 -1.766 1.00 0.00 N ATOM 1077 CA PHE A 74 -1.513 -4.891 -1.603 1.00 0.00 C ATOM 1078 C PHE A 74 -1.395 -6.236 -0.872 1.00 0.00 C ATOM 1079 O PHE A 74 -2.278 -6.603 -0.093 1.00 0.00 O ATOM 1080 CB PHE A 74 -0.751 -3.780 -0.877 1.00 0.00 C ATOM 1081 CG PHE A 74 -1.389 -3.273 0.374 1.00 0.00 C ATOM 1082 CD1 PHE A 74 -1.657 -4.139 1.415 1.00 0.00 C ATOM 1083 CD2 PHE A 74 -1.698 -1.924 0.523 1.00 0.00 C ATOM 1084 CE1 PHE A 74 -2.223 -3.685 2.575 1.00 0.00 C ATOM 1085 CE2 PHE A 74 -2.258 -1.472 1.697 1.00 0.00 C ATOM 1086 CZ PHE A 74 -2.520 -2.352 2.716 1.00 0.00 C ATOM 0 H PHE A 74 -3.538 -5.092 -1.172 1.00 0.00 H new ATOM 0 HA PHE A 74 -1.055 -4.993 -2.587 1.00 0.00 H new ATOM 0 HB2 PHE A 74 0.246 -4.147 -0.632 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -0.623 -2.943 -1.563 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -1.417 -5.187 1.313 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -1.499 -1.232 -0.282 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -2.436 -4.374 3.379 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -2.491 -0.424 1.815 1.00 0.00 H new ATOM 0 HZ PHE A 74 -2.962 -1.994 3.634 1.00 0.00 H new ATOM 1096 N GLU A 75 -0.343 -6.995 -1.164 1.00 0.00 N ATOM 1097 CA GLU A 75 -0.079 -8.236 -0.450 1.00 0.00 C ATOM 1098 C GLU A 75 1.070 -8.037 0.505 1.00 0.00 C ATOM 1099 O GLU A 75 2.213 -7.957 0.076 1.00 0.00 O ATOM 1100 CB GLU A 75 0.272 -9.395 -1.371 1.00 0.00 C ATOM 1101 CG GLU A 75 0.408 -10.718 -0.626 1.00 0.00 C ATOM 1102 CD GLU A 75 0.778 -11.871 -1.529 1.00 0.00 C ATOM 1103 OE1 GLU A 75 0.131 -12.038 -2.578 1.00 0.00 O ATOM 1104 OE2 GLU A 75 1.701 -12.635 -1.182 1.00 0.00 O ATOM 0 H GLU A 75 0.338 -6.771 -1.889 1.00 0.00 H new ATOM 0 HA GLU A 75 -1.000 -8.489 0.075 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -0.498 -9.491 -2.137 1.00 0.00 H new ATOM 0 HB3 GLU A 75 1.207 -9.175 -1.885 1.00 0.00 H new ATOM 0 HG2 GLU A 75 1.166 -10.615 0.150 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -0.533 -10.944 -0.125 1.00 0.00 H new ATOM 1111 N SER A 76 0.784 -7.961 1.784 1.00 0.00 N ATOM 1112 CA SER A 76 1.833 -7.775 2.755 1.00 0.00 C ATOM 1113 C SER A 76 2.447 -9.131 3.123 1.00 0.00 C ATOM 1114 O SER A 76 1.739 -10.067 3.505 1.00 0.00 O ATOM 1115 CB SER A 76 1.268 -7.040 3.967 1.00 0.00 C ATOM 1116 OG SER A 76 0.299 -7.826 4.645 1.00 0.00 O ATOM 0 H SER A 76 -0.157 -8.025 2.172 1.00 0.00 H new ATOM 0 HA SER A 76 2.635 -7.164 2.340 1.00 0.00 H new ATOM 0 HB2 SER A 76 2.078 -6.788 4.652 1.00 0.00 H new ATOM 0 HB3 SER A 76 0.817 -6.101 3.647 1.00 0.00 H new ATOM 0 HG SER A 76 0.383 -8.762 4.366 1.00 0.00 H new ATOM 1250 N ILE A 86 -2.969 -10.572 1.178 1.00 0.00 N ATOM 1251 CA ILE A 86 -3.633 -9.667 0.254 1.00 0.00 C ATOM 1252 C ILE A 86 -4.794 -8.986 0.953 1.00 0.00 C ATOM 1253 O ILE A 86 -5.822 -9.608 1.234 1.00 0.00 O ATOM 1254 CB ILE A 86 -4.145 -10.366 -1.015 1.00 0.00 C ATOM 1255 CG1 ILE A 86 -2.952 -10.766 -1.874 1.00 0.00 C ATOM 1256 CG2 ILE A 86 -5.076 -9.442 -1.776 1.00 0.00 C ATOM 1257 CD1 ILE A 86 -3.088 -10.474 -3.349 1.00 0.00 C ATOM 0 HA ILE A 86 -2.887 -8.937 -0.060 1.00 0.00 H new ATOM 0 HB ILE A 86 -4.706 -11.261 -0.747 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -2.067 -10.251 -1.499 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -2.777 -11.834 -1.747 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -5.434 -9.945 -2.674 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -5.925 -9.179 -1.144 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -4.539 -8.536 -2.058 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -2.186 -10.797 -3.869 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -3.948 -11.011 -3.748 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -3.228 -9.403 -3.497 1.00 0.00 H new ATOM 1269 N PHE A 87 -4.615 -7.722 1.258 1.00 0.00 N ATOM 1270 CA PHE A 87 -5.655 -6.944 1.891 1.00 0.00 C ATOM 1271 C PHE A 87 -5.980 -5.769 0.998 1.00 0.00 C ATOM 1272 O PHE A 87 -5.149 -4.890 0.766 1.00 0.00 O ATOM 1273 CB PHE A 87 -5.197 -6.498 3.284 1.00 0.00 C ATOM 1274 CG PHE A 87 -6.280 -5.970 4.196 1.00 0.00 C ATOM 1275 CD1 PHE A 87 -7.607 -6.362 4.072 1.00 0.00 C ATOM 1276 CD2 PHE A 87 -5.949 -5.084 5.203 1.00 0.00 C ATOM 1277 CE1 PHE A 87 -8.573 -5.868 4.939 1.00 0.00 C ATOM 1278 CE2 PHE A 87 -6.904 -4.594 6.069 1.00 0.00 C ATOM 1279 CZ PHE A 87 -8.213 -4.982 5.941 1.00 0.00 C ATOM 0 H PHE A 87 -3.753 -7.208 1.077 1.00 0.00 H new ATOM 0 HA PHE A 87 -6.558 -7.540 2.026 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -4.715 -7.344 3.775 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -4.439 -5.724 3.166 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -7.890 -7.057 3.295 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -4.922 -4.769 5.314 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -9.603 -6.174 4.832 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -6.620 -3.903 6.849 1.00 0.00 H new ATOM 0 HZ PHE A 87 -8.961 -4.598 6.619 1.00 0.00 H new ATOM 1289 N ALA A 88 -7.175 -5.795 0.449 1.00 0.00 N ATOM 1290 CA ALA A 88 -7.592 -4.785 -0.488 1.00 0.00 C ATOM 1291 C ALA A 88 -8.606 -3.848 0.156 1.00 0.00 C ATOM 1292 O ALA A 88 -9.420 -4.253 0.992 1.00 0.00 O ATOM 1293 CB ALA A 88 -8.156 -5.435 -1.732 1.00 0.00 C ATOM 0 H ALA A 88 -7.876 -6.511 0.640 1.00 0.00 H new ATOM 0 HA ALA A 88 -6.727 -4.189 -0.778 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -8.469 -4.664 -2.436 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -7.392 -6.059 -2.195 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -9.014 -6.051 -1.463 1.00 0.00 H new ATOM 1299 N PHE A 89 -8.540 -2.593 -0.219 1.00 0.00 N ATOM 1300 CA PHE A 89 -9.450 -1.601 0.297 1.00 0.00 C ATOM 1301 C PHE A 89 -10.127 -0.933 -0.853 1.00 0.00 C ATOM 1302 O PHE A 89 -9.489 -0.559 -1.833 1.00 0.00 O ATOM 1303 CB PHE A 89 -8.743 -0.546 1.130 1.00 0.00 C ATOM 1304 CG PHE A 89 -7.689 -1.117 1.990 1.00 0.00 C ATOM 1305 CD1 PHE A 89 -6.452 -1.289 1.467 1.00 0.00 C ATOM 1306 CD2 PHE A 89 -7.933 -1.492 3.292 1.00 0.00 C ATOM 1307 CE1 PHE A 89 -5.447 -1.833 2.209 1.00 0.00 C ATOM 1308 CE2 PHE A 89 -6.931 -2.038 4.058 1.00 0.00 C ATOM 1309 CZ PHE A 89 -5.680 -2.212 3.512 1.00 0.00 C ATOM 0 H PHE A 89 -7.858 -2.233 -0.886 1.00 0.00 H new ATOM 0 HA PHE A 89 -10.167 -2.107 0.944 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -8.303 0.200 0.468 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -9.474 -0.029 1.752 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -6.259 -0.991 0.447 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -8.918 -1.356 3.714 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -4.467 -1.967 1.775 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -7.124 -2.328 5.080 1.00 0.00 H new ATOM 0 HZ PHE A 89 -4.885 -2.644 4.102 1.00 0.00 H new ATOM 1319 N LYS A 90 -11.406 -0.776 -0.734 1.00 0.00 N ATOM 1320 CA LYS A 90 -12.174 -0.139 -1.746 1.00 0.00 C ATOM 1321 C LYS A 90 -11.921 1.358 -1.655 1.00 0.00 C ATOM 1322 O LYS A 90 -12.673 2.100 -1.033 1.00 0.00 O ATOM 1323 CB LYS A 90 -13.620 -0.475 -1.521 1.00 0.00 C ATOM 1324 CG LYS A 90 -14.442 -0.631 -2.768 1.00 0.00 C ATOM 1325 CD LYS A 90 -15.694 -1.430 -2.493 1.00 0.00 C ATOM 1326 CE LYS A 90 -16.436 -0.843 -1.322 1.00 0.00 C ATOM 1327 NZ LYS A 90 -17.690 -1.585 -1.022 1.00 0.00 N ATOM 0 H LYS A 90 -11.946 -1.089 0.073 1.00 0.00 H new ATOM 0 HA LYS A 90 -11.896 -0.477 -2.744 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -13.676 -1.402 -0.950 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -14.067 0.306 -0.906 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -14.711 0.351 -3.156 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -13.851 -1.127 -3.538 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -16.334 -1.432 -3.375 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -15.434 -2.468 -2.285 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -15.791 -0.853 -0.443 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -16.674 0.200 -1.531 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -18.325 -0.981 -0.462 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -18.159 -1.849 -1.912 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -17.464 -2.444 -0.482 1.00 0.00 H new ATOM 1341 N CYS A 91 -10.830 1.776 -2.260 1.00 0.00 N ATOM 1342 CA CYS A 91 -10.401 3.158 -2.200 1.00 0.00 C ATOM 1343 C CYS A 91 -10.832 3.861 -3.466 1.00 0.00 C ATOM 1344 O CYS A 91 -10.442 3.451 -4.549 1.00 0.00 O ATOM 1345 CB CYS A 91 -8.881 3.269 -2.070 1.00 0.00 C ATOM 1346 SG CYS A 91 -8.290 4.980 -2.088 1.00 0.00 S ATOM 0 H CYS A 91 -10.217 1.170 -2.806 1.00 0.00 H new ATOM 0 HA CYS A 91 -10.856 3.618 -1.323 1.00 0.00 H new ATOM 0 HB2 CYS A 91 -8.566 2.792 -1.142 1.00 0.00 H new ATOM 0 HB3 CYS A 91 -8.411 2.720 -2.886 1.00 0.00 H new ATOM 0 HG CYS A 91 -8.682 5.586 -1.007 1.00 0.00 H new ATOM 1352 N ALA A 92 -11.619 4.911 -3.366 1.00 0.00 N ATOM 1353 CA ALA A 92 -12.050 5.587 -4.574 1.00 0.00 C ATOM 1354 C ALA A 92 -10.941 6.450 -5.165 1.00 0.00 C ATOM 1355 O ALA A 92 -11.100 7.041 -6.230 1.00 0.00 O ATOM 1356 CB ALA A 92 -13.321 6.367 -4.360 1.00 0.00 C ATOM 0 H ALA A 92 -11.965 5.306 -2.492 1.00 0.00 H new ATOM 0 HA ALA A 92 -12.277 4.815 -5.309 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -13.608 6.858 -5.290 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -14.115 5.689 -4.047 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -13.161 7.119 -3.588 1.00 0.00 H new ATOM 1362 N ARG A 93 -9.819 6.523 -4.466 1.00 0.00 N ATOM 1363 CA ARG A 93 -8.590 7.009 -5.068 1.00 0.00 C ATOM 1364 C ARG A 93 -7.662 5.842 -5.314 1.00 0.00 C ATOM 1365 O ARG A 93 -6.477 6.041 -5.368 1.00 0.00 O ATOM 1366 CB ARG A 93 -7.833 8.027 -4.196 1.00 0.00 C ATOM 1367 CG ARG A 93 -8.145 9.486 -4.471 1.00 0.00 C ATOM 1368 CD ARG A 93 -9.604 9.834 -4.245 1.00 0.00 C ATOM 1369 NE ARG A 93 -9.793 11.281 -4.201 1.00 0.00 N ATOM 1370 CZ ARG A 93 -10.968 11.880 -4.039 1.00 0.00 C ATOM 1371 NH1 ARG A 93 -12.083 11.167 -4.034 1.00 0.00 N ATOM 1372 NH2 ARG A 93 -11.026 13.197 -3.922 1.00 0.00 N ATOM 0 H ARG A 93 -9.735 6.253 -3.486 1.00 0.00 H new ATOM 0 HA ARG A 93 -8.883 7.511 -5.990 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -8.055 7.818 -3.149 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -6.763 7.871 -4.333 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -7.525 10.112 -3.829 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -7.877 9.721 -5.501 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -10.212 9.408 -5.043 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -9.948 9.390 -3.311 1.00 0.00 H new ATOM 0 HE ARG A 93 -8.968 11.872 -4.301 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -12.042 10.155 -4.155 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -12.984 11.629 -3.909 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -10.170 13.750 -3.956 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -11.927 13.659 -3.798 1.00 0.00 H new ATOM 1386 N ALA A 94 -8.200 4.628 -5.433 1.00 0.00 N ATOM 1387 CA ALA A 94 -7.375 3.423 -5.610 1.00 0.00 C ATOM 1388 C ALA A 94 -6.278 3.660 -6.618 1.00 0.00 C ATOM 1389 O ALA A 94 -5.112 3.456 -6.344 1.00 0.00 O ATOM 1390 CB ALA A 94 -8.208 2.276 -6.128 1.00 0.00 C ATOM 0 H ALA A 94 -9.204 4.448 -5.411 1.00 0.00 H new ATOM 0 HA ALA A 94 -6.953 3.186 -4.634 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -7.578 1.395 -6.251 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -9.005 2.055 -5.418 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -8.644 2.548 -7.089 1.00 0.00 H new ATOM 1396 N GLU A 95 -6.704 4.053 -7.802 1.00 0.00 N ATOM 1397 CA GLU A 95 -5.796 4.424 -8.890 1.00 0.00 C ATOM 1398 C GLU A 95 -4.705 5.357 -8.398 1.00 0.00 C ATOM 1399 O GLU A 95 -3.520 5.058 -8.492 1.00 0.00 O ATOM 1400 CB GLU A 95 -6.577 5.097 -10.018 1.00 0.00 C ATOM 1401 CG GLU A 95 -7.828 5.833 -9.554 1.00 0.00 C ATOM 1402 CD GLU A 95 -8.577 6.473 -10.699 1.00 0.00 C ATOM 1403 OE1 GLU A 95 -9.195 5.733 -11.492 1.00 0.00 O ATOM 1404 OE2 GLU A 95 -8.548 7.717 -10.810 1.00 0.00 O ATOM 0 H GLU A 95 -7.692 4.127 -8.046 1.00 0.00 H new ATOM 0 HA GLU A 95 -5.328 3.513 -9.263 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -5.922 5.802 -10.529 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -6.863 4.341 -10.749 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -8.487 5.135 -9.038 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -7.548 6.600 -8.832 1.00 0.00 H new ATOM 1411 N GLU A 96 -5.147 6.479 -7.878 1.00 0.00 N ATOM 1412 CA GLU A 96 -4.289 7.498 -7.296 1.00 0.00 C ATOM 1413 C GLU A 96 -3.388 6.917 -6.210 1.00 0.00 C ATOM 1414 O GLU A 96 -2.177 7.113 -6.220 1.00 0.00 O ATOM 1415 CB GLU A 96 -5.203 8.560 -6.696 1.00 0.00 C ATOM 1416 CG GLU A 96 -4.520 9.837 -6.291 1.00 0.00 C ATOM 1417 CD GLU A 96 -3.808 10.520 -7.434 1.00 0.00 C ATOM 1418 OE1 GLU A 96 -4.490 10.974 -8.377 1.00 0.00 O ATOM 1419 OE2 GLU A 96 -2.571 10.625 -7.391 1.00 0.00 O ATOM 0 H GLU A 96 -6.138 6.719 -7.845 1.00 0.00 H new ATOM 0 HA GLU A 96 -3.637 7.917 -8.063 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -5.982 8.797 -7.420 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -5.698 8.138 -5.821 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -5.259 10.520 -5.872 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -3.801 9.622 -5.500 1.00 0.00 H new ATOM 1426 N LEU A 97 -4.007 6.208 -5.281 1.00 0.00 N ATOM 1427 CA LEU A 97 -3.336 5.623 -4.158 1.00 0.00 C ATOM 1428 C LEU A 97 -2.324 4.600 -4.609 1.00 0.00 C ATOM 1429 O LEU A 97 -1.135 4.757 -4.376 1.00 0.00 O ATOM 1430 CB LEU A 97 -4.365 4.971 -3.256 1.00 0.00 C ATOM 1431 CG LEU A 97 -3.963 4.952 -1.804 1.00 0.00 C ATOM 1432 CD1 LEU A 97 -5.167 4.995 -0.938 1.00 0.00 C ATOM 1433 CD2 LEU A 97 -3.214 3.687 -1.514 1.00 0.00 C ATOM 0 H LEU A 97 -5.010 6.026 -5.297 1.00 0.00 H new ATOM 0 HA LEU A 97 -2.805 6.404 -3.614 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -5.312 5.501 -3.356 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -4.535 3.948 -3.592 1.00 0.00 H new ATOM 0 HG LEU A 97 -3.337 5.821 -1.602 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -4.863 4.981 0.109 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -5.728 5.907 -1.140 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -5.795 4.129 -1.145 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -2.922 3.670 -0.464 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -3.852 2.829 -1.727 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -2.323 3.640 -2.140 1.00 0.00 H new ATOM 1445 N PHE A 98 -2.805 3.559 -5.258 1.00 0.00 N ATOM 1446 CA PHE A 98 -1.942 2.531 -5.781 1.00 0.00 C ATOM 1447 C PHE A 98 -0.767 3.176 -6.507 1.00 0.00 C ATOM 1448 O PHE A 98 0.379 2.915 -6.170 1.00 0.00 O ATOM 1449 CB PHE A 98 -2.720 1.599 -6.718 1.00 0.00 C ATOM 1450 CG PHE A 98 -1.829 0.875 -7.664 1.00 0.00 C ATOM 1451 CD1 PHE A 98 -0.854 0.060 -7.161 1.00 0.00 C ATOM 1452 CD2 PHE A 98 -1.920 1.058 -9.033 1.00 0.00 C ATOM 1453 CE1 PHE A 98 0.035 -0.561 -7.986 1.00 0.00 C ATOM 1454 CE2 PHE A 98 -1.038 0.416 -9.878 1.00 0.00 C ATOM 1455 CZ PHE A 98 -0.052 -0.391 -9.347 1.00 0.00 C ATOM 0 H PHE A 98 -3.798 3.406 -5.434 1.00 0.00 H new ATOM 0 HA PHE A 98 -1.560 1.929 -4.957 1.00 0.00 H new ATOM 0 HB2 PHE A 98 -3.280 0.876 -6.125 1.00 0.00 H new ATOM 0 HB3 PHE A 98 -3.449 2.181 -7.282 1.00 0.00 H new ATOM 0 HD1 PHE A 98 -0.787 -0.094 -6.094 1.00 0.00 H new ATOM 0 HD2 PHE A 98 -2.683 1.705 -9.441 1.00 0.00 H new ATOM 0 HE1 PHE A 98 0.810 -1.188 -7.570 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -1.119 0.544 -10.947 1.00 0.00 H new ATOM 0 HZ PHE A 98 0.650 -0.888 -10.000 1.00 0.00 H new ATOM 1465 N ASN A 99 -1.082 4.043 -7.466 1.00 0.00 N ATOM 1466 CA ASN A 99 -0.081 4.829 -8.203 1.00 0.00 C ATOM 1467 C ASN A 99 0.899 5.466 -7.272 1.00 0.00 C ATOM 1468 O ASN A 99 2.068 5.113 -7.300 1.00 0.00 O ATOM 1469 CB ASN A 99 -0.749 5.937 -9.019 1.00 0.00 C ATOM 1470 CG ASN A 99 0.104 6.421 -10.177 1.00 0.00 C ATOM 1471 OD1 ASN A 99 0.831 5.648 -10.803 1.00 0.00 O ATOM 1472 ND2 ASN A 99 0.035 7.709 -10.458 1.00 0.00 N ATOM 0 H ASN A 99 -2.042 4.225 -7.759 1.00 0.00 H new ATOM 0 HA ASN A 99 0.437 4.137 -8.867 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -1.701 5.572 -9.405 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -0.972 6.779 -8.363 1.00 0.00 H new ATOM 0 HD21 ASN A 99 0.596 8.096 -11.217 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -0.579 8.317 -9.916 1.00 0.00 H new ATOM 1479 N MET A 100 0.417 6.380 -6.445 1.00 0.00 N ATOM 1480 CA MET A 100 1.273 7.112 -5.535 1.00 0.00 C ATOM 1481 C MET A 100 2.185 6.148 -4.827 1.00 0.00 C ATOM 1482 O MET A 100 3.397 6.293 -4.863 1.00 0.00 O ATOM 1483 CB MET A 100 0.449 7.872 -4.532 1.00 0.00 C ATOM 1484 CG MET A 100 1.008 9.242 -4.276 1.00 0.00 C ATOM 1485 SD MET A 100 -0.047 10.531 -4.937 1.00 0.00 S ATOM 1486 CE MET A 100 -1.514 10.214 -3.967 1.00 0.00 C ATOM 0 H MET A 100 -0.570 6.631 -6.388 1.00 0.00 H new ATOM 0 HA MET A 100 1.867 7.828 -6.103 1.00 0.00 H new ATOM 0 HB2 MET A 100 -0.575 7.959 -4.894 1.00 0.00 H new ATOM 0 HB3 MET A 100 0.410 7.314 -3.596 1.00 0.00 H new ATOM 0 HG2 MET A 100 1.131 9.389 -3.203 1.00 0.00 H new ATOM 0 HG3 MET A 100 1.999 9.319 -4.724 1.00 0.00 H new ATOM 0 HE1 MET A 100 -2.204 11.052 -4.066 1.00 0.00 H new ATOM 0 HE2 MET A 100 -1.996 9.303 -4.323 1.00 0.00 H new ATOM 0 HE3 MET A 100 -1.238 10.093 -2.919 1.00 0.00 H new ATOM 1496 N LEU A 101 1.577 5.151 -4.218 1.00 0.00 N ATOM 1497 CA LEU A 101 2.291 4.036 -3.623 1.00 0.00 C ATOM 1498 C LEU A 101 3.394 3.500 -4.540 1.00 0.00 C ATOM 1499 O LEU A 101 4.551 3.462 -4.132 1.00 0.00 O ATOM 1500 CB LEU A 101 1.277 2.937 -3.284 1.00 0.00 C ATOM 1501 CG LEU A 101 1.815 1.527 -3.106 1.00 0.00 C ATOM 1502 CD1 LEU A 101 2.843 1.467 -2.004 1.00 0.00 C ATOM 1503 CD2 LEU A 101 0.667 0.584 -2.818 1.00 0.00 C ATOM 0 H LEU A 101 0.564 5.090 -4.120 1.00 0.00 H new ATOM 0 HA LEU A 101 2.789 4.380 -2.717 1.00 0.00 H new ATOM 0 HB2 LEU A 101 0.765 3.222 -2.365 1.00 0.00 H new ATOM 0 HB3 LEU A 101 0.526 2.915 -4.074 1.00 0.00 H new ATOM 0 HG LEU A 101 2.310 1.223 -4.028 1.00 0.00 H new ATOM 0 HD11 LEU A 101 3.208 0.445 -1.902 1.00 0.00 H new ATOM 0 HD12 LEU A 101 3.676 2.127 -2.247 1.00 0.00 H new ATOM 0 HD13 LEU A 101 2.389 1.785 -1.065 1.00 0.00 H new ATOM 0 HD21 LEU A 101 1.051 -0.428 -2.690 1.00 0.00 H new ATOM 0 HD22 LEU A 101 0.159 0.897 -1.906 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -0.037 0.603 -3.650 1.00 0.00 H new ATOM 1515 N GLN A 102 3.056 3.097 -5.770 1.00 0.00 N ATOM 1516 CA GLN A 102 4.068 2.550 -6.676 1.00 0.00 C ATOM 1517 C GLN A 102 5.188 3.570 -6.899 1.00 0.00 C ATOM 1518 O GLN A 102 6.360 3.208 -6.942 1.00 0.00 O ATOM 1519 CB GLN A 102 3.520 2.103 -8.042 1.00 0.00 C ATOM 1520 CG GLN A 102 2.050 2.090 -8.199 1.00 0.00 C ATOM 1521 CD GLN A 102 1.660 2.250 -9.651 1.00 0.00 C ATOM 1522 OE1 GLN A 102 0.607 2.779 -9.983 1.00 0.00 O ATOM 1523 NE2 GLN A 102 2.529 1.809 -10.526 1.00 0.00 N ATOM 0 H GLN A 102 2.112 3.138 -6.153 1.00 0.00 H new ATOM 0 HA GLN A 102 4.445 1.655 -6.180 1.00 0.00 H new ATOM 0 HB2 GLN A 102 3.937 2.758 -8.806 1.00 0.00 H new ATOM 0 HB3 GLN A 102 3.892 1.099 -8.245 1.00 0.00 H new ATOM 0 HG2 GLN A 102 1.647 1.154 -7.811 1.00 0.00 H new ATOM 0 HG3 GLN A 102 1.610 2.895 -7.610 1.00 0.00 H new ATOM 0 HE21 GLN A 102 3.396 1.374 -10.209 1.00 0.00 H new ATOM 0 HE22 GLN A 102 2.339 1.901 -11.524 1.00 0.00 H new ATOM 1532 N GLU A 103 4.827 4.850 -7.015 1.00 0.00 N ATOM 1533 CA GLU A 103 5.823 5.903 -7.218 1.00 0.00 C ATOM 1534 C GLU A 103 6.633 6.126 -5.958 1.00 0.00 C ATOM 1535 O GLU A 103 7.851 6.219 -6.020 1.00 0.00 O ATOM 1536 CB GLU A 103 5.200 7.239 -7.622 1.00 0.00 C ATOM 1537 CG GLU A 103 3.741 7.191 -7.962 1.00 0.00 C ATOM 1538 CD GLU A 103 3.295 8.362 -8.805 1.00 0.00 C ATOM 1539 OE1 GLU A 103 3.057 9.451 -8.243 1.00 0.00 O ATOM 1540 OE2 GLU A 103 3.185 8.203 -10.039 1.00 0.00 O ATOM 0 H GLU A 103 3.863 5.180 -6.972 1.00 0.00 H new ATOM 0 HA GLU A 103 6.460 5.555 -8.031 1.00 0.00 H new ATOM 0 HB2 GLU A 103 5.343 7.948 -6.807 1.00 0.00 H new ATOM 0 HB3 GLU A 103 5.744 7.629 -8.483 1.00 0.00 H new ATOM 0 HG2 GLU A 103 3.528 6.264 -8.495 1.00 0.00 H new ATOM 0 HG3 GLU A 103 3.159 7.170 -7.041 1.00 0.00 H new ATOM 1547 N ILE A 104 5.965 6.237 -4.816 1.00 0.00 N ATOM 1548 CA ILE A 104 6.671 6.353 -3.554 1.00 0.00 C ATOM 1549 C ILE A 104 7.654 5.198 -3.439 1.00 0.00 C ATOM 1550 O ILE A 104 8.801 5.374 -3.030 1.00 0.00 O ATOM 1551 CB ILE A 104 5.734 6.370 -2.328 1.00 0.00 C ATOM 1552 CG1 ILE A 104 5.001 7.700 -2.228 1.00 0.00 C ATOM 1553 CG2 ILE A 104 6.537 6.156 -1.074 1.00 0.00 C ATOM 1554 CD1 ILE A 104 3.506 7.579 -2.264 1.00 0.00 C ATOM 0 H ILE A 104 4.948 6.249 -4.741 1.00 0.00 H new ATOM 0 HA ILE A 104 7.189 7.312 -3.554 1.00 0.00 H new ATOM 0 HB ILE A 104 5.002 5.570 -2.444 1.00 0.00 H new ATOM 0 HG12 ILE A 104 5.293 8.195 -1.302 1.00 0.00 H new ATOM 0 HG13 ILE A 104 5.323 8.343 -3.048 1.00 0.00 H new ATOM 0 HG21 ILE A 104 5.873 6.169 -0.210 1.00 0.00 H new ATOM 0 HG22 ILE A 104 7.045 5.193 -1.127 1.00 0.00 H new ATOM 0 HG23 ILE A 104 7.276 6.951 -0.975 1.00 0.00 H new ATOM 0 HD11 ILE A 104 3.059 8.570 -2.188 1.00 0.00 H new ATOM 0 HD12 ILE A 104 3.201 7.114 -3.202 1.00 0.00 H new ATOM 0 HD13 ILE A 104 3.170 6.964 -1.429 1.00 0.00 H new ATOM 1566 N MET A 105 7.197 4.030 -3.866 1.00 0.00 N ATOM 1567 CA MET A 105 8.037 2.852 -3.940 1.00 0.00 C ATOM 1568 C MET A 105 9.262 3.096 -4.818 1.00 0.00 C ATOM 1569 O MET A 105 10.391 2.813 -4.425 1.00 0.00 O ATOM 1570 CB MET A 105 7.253 1.674 -4.492 1.00 0.00 C ATOM 1571 CG MET A 105 6.247 1.113 -3.516 1.00 0.00 C ATOM 1572 SD MET A 105 6.142 -0.672 -3.630 1.00 0.00 S ATOM 1573 CE MET A 105 5.067 -1.002 -2.254 1.00 0.00 C ATOM 0 H MET A 105 6.235 3.876 -4.169 1.00 0.00 H new ATOM 0 HA MET A 105 8.372 2.627 -2.928 1.00 0.00 H new ATOM 0 HB2 MET A 105 6.734 1.985 -5.399 1.00 0.00 H new ATOM 0 HB3 MET A 105 7.949 0.886 -4.778 1.00 0.00 H new ATOM 0 HG2 MET A 105 6.526 1.398 -2.501 1.00 0.00 H new ATOM 0 HG3 MET A 105 5.267 1.549 -3.712 1.00 0.00 H new ATOM 0 HE1 MET A 105 5.535 -1.731 -1.593 1.00 0.00 H new ATOM 0 HE2 MET A 105 4.886 -0.078 -1.704 1.00 0.00 H new ATOM 0 HE3 MET A 105 4.120 -1.399 -2.619 1.00 0.00 H new ATOM 1583 N GLN A 106 9.019 3.628 -6.011 1.00 0.00 N ATOM 1584 CA GLN A 106 10.069 3.879 -6.989 1.00 0.00 C ATOM 1585 C GLN A 106 11.048 4.949 -6.518 1.00 0.00 C ATOM 1586 O GLN A 106 12.249 4.876 -6.776 1.00 0.00 O ATOM 1587 CB GLN A 106 9.440 4.338 -8.293 1.00 0.00 C ATOM 1588 CG GLN A 106 8.588 3.284 -8.963 1.00 0.00 C ATOM 1589 CD GLN A 106 9.375 2.329 -9.845 1.00 0.00 C ATOM 1590 OE1 GLN A 106 10.652 2.143 -9.553 1.00 0.00 O flip ATOM 1591 NE2 GLN A 106 8.835 1.777 -10.805 1.00 0.00 N flip ATOM 0 H GLN A 106 8.087 3.897 -6.327 1.00 0.00 H new ATOM 0 HA GLN A 106 10.620 2.949 -7.125 1.00 0.00 H new ATOM 0 HB2 GLN A 106 8.827 5.219 -8.100 1.00 0.00 H new ATOM 0 HB3 GLN A 106 10.230 4.644 -8.979 1.00 0.00 H new ATOM 0 HG2 GLN A 106 8.067 2.710 -8.197 1.00 0.00 H new ATOM 0 HG3 GLN A 106 7.825 3.776 -9.566 1.00 0.00 H new ATOM 0 HE21 GLN A 106 7.848 1.944 -11.000 1.00 0.00 H new ATOM 0 HE22 GLN A 106 9.375 1.153 -11.405 1.00 0.00 H new ATOM 1600 N ASN A 107 10.517 5.941 -5.822 1.00 0.00 N ATOM 1601 CA ASN A 107 11.241 7.177 -5.579 1.00 0.00 C ATOM 1602 C ASN A 107 11.830 7.280 -4.175 1.00 0.00 C ATOM 1603 O ASN A 107 12.782 8.029 -3.964 1.00 0.00 O ATOM 1604 CB ASN A 107 10.323 8.367 -5.844 1.00 0.00 C ATOM 1605 CG ASN A 107 9.967 8.518 -7.312 1.00 0.00 C ATOM 1606 OD1 ASN A 107 10.737 9.070 -8.099 1.00 0.00 O ATOM 1607 ND2 ASN A 107 8.789 8.042 -7.682 1.00 0.00 N ATOM 0 H ASN A 107 9.583 5.913 -5.414 1.00 0.00 H new ATOM 0 HA ASN A 107 12.087 7.181 -6.266 1.00 0.00 H new ATOM 0 HB2 ASN A 107 9.408 8.251 -5.263 1.00 0.00 H new ATOM 0 HB3 ASN A 107 10.808 9.279 -5.497 1.00 0.00 H new ATOM 0 HD21 ASN A 107 8.487 8.125 -8.653 1.00 0.00 H new ATOM 0 HD22 ASN A 107 8.183 7.592 -6.996 1.00 0.00 H new ATOM 1614 N ASN A 108 11.293 6.541 -3.211 1.00 0.00 N ATOM 1615 CA ASN A 108 11.743 6.696 -1.830 1.00 0.00 C ATOM 1616 C ASN A 108 12.797 5.683 -1.477 1.00 0.00 C ATOM 1617 O ASN A 108 13.580 5.902 -0.554 1.00 0.00 O ATOM 1618 CB ASN A 108 10.588 6.627 -0.825 1.00 0.00 C ATOM 1619 CG ASN A 108 9.788 7.913 -0.822 1.00 0.00 C ATOM 1620 OD1 ASN A 108 8.851 8.038 -1.745 1.00 0.00 O flip ATOM 1621 ND2 ASN A 108 10.032 8.804 -0.013 1.00 0.00 N flip ATOM 0 H ASN A 108 10.562 5.844 -3.353 1.00 0.00 H new ATOM 0 HA ASN A 108 12.179 7.693 -1.764 1.00 0.00 H new ATOM 0 HB2 ASN A 108 9.935 5.790 -1.074 1.00 0.00 H new ATOM 0 HB3 ASN A 108 10.982 6.438 0.174 1.00 0.00 H new ATOM 0 HD21 ASN A 108 10.763 8.672 0.686 1.00 0.00 H new ATOM 0 HD22 ASN A 108 9.504 9.676 -0.040 1.00 0.00 H new ATOM 1628 N SER A 109 12.794 4.568 -2.202 1.00 0.00 N ATOM 1629 CA SER A 109 13.727 3.461 -1.960 1.00 0.00 C ATOM 1630 C SER A 109 13.386 2.755 -0.647 1.00 0.00 C ATOM 1631 O SER A 109 13.716 1.586 -0.465 1.00 0.00 O ATOM 1632 CB SER A 109 15.177 3.959 -1.938 1.00 0.00 C ATOM 1633 OG SER A 109 16.087 2.887 -1.743 1.00 0.00 O ATOM 0 H SER A 109 12.148 4.402 -2.974 1.00 0.00 H new ATOM 0 HA SER A 109 13.626 2.748 -2.778 1.00 0.00 H new ATOM 0 HB2 SER A 109 15.404 4.466 -2.876 1.00 0.00 H new ATOM 0 HB3 SER A 109 15.300 4.693 -1.141 1.00 0.00 H new ATOM 0 HG SER A 109 17.004 3.233 -1.735 1.00 0.00 H new ATOM 1639 N ILE A 110 12.738 3.482 0.254 1.00 0.00 N ATOM 1640 CA ILE A 110 12.134 2.912 1.438 1.00 0.00 C ATOM 1641 C ILE A 110 13.166 2.272 2.363 1.00 0.00 C ATOM 1642 O ILE A 110 13.438 1.068 2.301 1.00 0.00 O ATOM 1643 CB ILE A 110 11.020 1.911 1.084 1.00 0.00 C ATOM 1644 CG1 ILE A 110 9.832 2.621 0.459 1.00 0.00 C ATOM 1645 CG2 ILE A 110 10.569 1.182 2.314 1.00 0.00 C ATOM 1646 CD1 ILE A 110 10.053 3.148 -0.933 1.00 0.00 C ATOM 0 H ILE A 110 12.619 4.492 0.177 1.00 0.00 H new ATOM 0 HA ILE A 110 11.680 3.741 1.981 1.00 0.00 H new ATOM 0 HB ILE A 110 11.425 1.199 0.364 1.00 0.00 H new ATOM 0 HG12 ILE A 110 8.988 1.931 0.438 1.00 0.00 H new ATOM 0 HG13 ILE A 110 9.548 3.453 1.103 1.00 0.00 H new ATOM 0 HG21 ILE A 110 9.781 0.477 2.050 1.00 0.00 H new ATOM 0 HG22 ILE A 110 11.411 0.641 2.745 1.00 0.00 H new ATOM 0 HG23 ILE A 110 10.187 1.898 3.042 1.00 0.00 H new ATOM 0 HD11 ILE A 110 9.145 3.636 -1.286 1.00 0.00 H new ATOM 0 HD12 ILE A 110 10.872 3.868 -0.924 1.00 0.00 H new ATOM 0 HD13 ILE A 110 10.303 2.322 -1.599 1.00 0.00 H new ATOM 1884 N ALA B 496 -3.792 -10.283 -9.386 1.00 0.00 N ATOM 1885 CA ALA B 496 -5.085 -9.664 -9.224 1.00 0.00 C ATOM 1886 C ALA B 496 -5.764 -10.255 -8.018 1.00 0.00 C ATOM 1887 O ALA B 496 -5.943 -11.466 -7.909 1.00 0.00 O ATOM 1888 CB ALA B 496 -5.955 -9.746 -10.459 1.00 0.00 C ATOM 0 HA ALA B 496 -4.927 -8.597 -9.069 1.00 0.00 H new ATOM 0 HB1 ALA B 496 -6.911 -9.260 -10.264 1.00 0.00 H new ATOM 0 HB2 ALA B 496 -5.457 -9.245 -11.289 1.00 0.00 H new ATOM 0 HB3 ALA B 496 -6.125 -10.792 -10.715 1.00 0.00 H new ATOM 1894 N VAL B 497 -6.025 -9.387 -7.070 1.00 0.00 N ATOM 1895 CA VAL B 497 -6.753 -9.759 -5.871 1.00 0.00 C ATOM 1896 C VAL B 497 -8.222 -9.643 -6.155 1.00 0.00 C ATOM 1897 O VAL B 497 -8.719 -8.581 -6.489 1.00 0.00 O ATOM 1898 CB VAL B 497 -6.354 -8.875 -4.645 1.00 0.00 C ATOM 1899 CG1 VAL B 497 -5.164 -8.031 -4.987 1.00 0.00 C ATOM 1900 CG2 VAL B 497 -7.496 -7.981 -4.161 1.00 0.00 C ATOM 0 H VAL B 497 -5.743 -8.407 -7.103 1.00 0.00 H new ATOM 0 HA VAL B 497 -6.500 -10.786 -5.607 1.00 0.00 H new ATOM 0 HB VAL B 497 -6.110 -9.557 -3.830 1.00 0.00 H new ATOM 0 HG11 VAL B 497 -4.893 -7.418 -4.127 1.00 0.00 H new ATOM 0 HG12 VAL B 497 -4.325 -8.675 -5.252 1.00 0.00 H new ATOM 0 HG13 VAL B 497 -5.407 -7.385 -5.831 1.00 0.00 H new ATOM 0 HG21 VAL B 497 -7.160 -7.391 -3.308 1.00 0.00 H new ATOM 0 HG22 VAL B 497 -7.802 -7.313 -4.966 1.00 0.00 H new ATOM 0 HG23 VAL B 497 -8.342 -8.601 -3.863 1.00 0.00 H new ATOM 1910 N ILE B 498 -8.940 -10.722 -6.094 1.00 0.00 N ATOM 1911 CA ILE B 498 -10.306 -10.603 -6.479 1.00 0.00 C ATOM 1912 C ILE B 498 -11.131 -10.449 -5.236 1.00 0.00 C ATOM 1913 O ILE B 498 -11.693 -11.416 -4.718 1.00 0.00 O ATOM 1914 CB ILE B 498 -10.876 -11.729 -7.356 1.00 0.00 C ATOM 1915 CG1 ILE B 498 -9.999 -12.135 -8.564 1.00 0.00 C ATOM 1916 CG2 ILE B 498 -12.237 -11.279 -7.871 1.00 0.00 C ATOM 1917 CD1 ILE B 498 -8.676 -11.445 -8.711 1.00 0.00 C ATOM 0 H ILE B 498 -8.624 -11.646 -5.798 1.00 0.00 H new ATOM 0 HA ILE B 498 -10.353 -9.728 -7.127 1.00 0.00 H new ATOM 0 HB ILE B 498 -10.927 -12.614 -6.722 1.00 0.00 H new ATOM 0 HG12 ILE B 498 -9.816 -13.208 -8.504 1.00 0.00 H new ATOM 0 HG13 ILE B 498 -10.574 -11.961 -9.473 1.00 0.00 H new ATOM 0 HG21 ILE B 498 -12.666 -12.061 -8.498 1.00 0.00 H new ATOM 0 HG22 ILE B 498 -12.900 -11.086 -7.027 1.00 0.00 H new ATOM 0 HG23 ILE B 498 -12.121 -10.367 -8.457 1.00 0.00 H new ATOM 0 HD11 ILE B 498 -8.165 -11.823 -9.597 1.00 0.00 H new ATOM 0 HD12 ILE B 498 -8.835 -10.372 -8.814 1.00 0.00 H new ATOM 0 HD13 ILE B 498 -8.065 -11.638 -7.829 1.00 0.00 H new ATOM 1929 N ILE B 499 -11.186 -9.229 -4.733 1.00 0.00 N ATOM 1930 CA ILE B 499 -11.841 -9.010 -3.479 1.00 0.00 C ATOM 1931 C ILE B 499 -13.317 -8.743 -3.735 1.00 0.00 C ATOM 1932 O ILE B 499 -13.738 -7.604 -3.955 1.00 0.00 O ATOM 1933 CB ILE B 499 -11.148 -7.882 -2.658 1.00 0.00 C ATOM 1934 CG1 ILE B 499 -9.895 -8.411 -1.940 1.00 0.00 C ATOM 1935 CG2 ILE B 499 -12.098 -7.248 -1.662 1.00 0.00 C ATOM 1936 CD1 ILE B 499 -9.906 -9.900 -1.670 1.00 0.00 C ATOM 0 H ILE B 499 -10.791 -8.397 -5.171 1.00 0.00 H new ATOM 0 HA ILE B 499 -11.760 -9.904 -2.860 1.00 0.00 H new ATOM 0 HB ILE B 499 -10.843 -7.111 -3.366 1.00 0.00 H new ATOM 0 HG12 ILE B 499 -9.019 -8.170 -2.542 1.00 0.00 H new ATOM 0 HG13 ILE B 499 -9.785 -7.884 -0.992 1.00 0.00 H new ATOM 0 HG21 ILE B 499 -11.577 -6.466 -1.109 1.00 0.00 H new ATOM 0 HG22 ILE B 499 -12.945 -6.814 -2.193 1.00 0.00 H new ATOM 0 HG23 ILE B 499 -12.456 -8.007 -0.967 1.00 0.00 H new ATOM 0 HD11 ILE B 499 -8.985 -10.184 -1.161 1.00 0.00 H new ATOM 0 HD12 ILE B 499 -10.760 -10.149 -1.040 1.00 0.00 H new ATOM 0 HD13 ILE B 499 -9.981 -10.440 -2.614 1.00 0.00 H new ATOM 1948 N GLY B 500 -14.073 -9.847 -3.737 1.00 0.00 N ATOM 1949 CA GLY B 500 -15.513 -9.830 -3.954 1.00 0.00 C ATOM 1950 C GLY B 500 -15.958 -8.887 -5.046 1.00 0.00 C ATOM 1951 O GLY B 500 -15.971 -9.244 -6.225 1.00 0.00 O ATOM 0 H GLY B 500 -13.694 -10.782 -3.586 1.00 0.00 H new ATOM 0 HA2 GLY B 500 -15.845 -10.838 -4.201 1.00 0.00 H new ATOM 0 HA3 GLY B 500 -16.007 -9.551 -3.023 1.00 0.00 H new ATOM 1955 N MET B 501 -16.321 -7.681 -4.624 1.00 0.00 N ATOM 1956 CA MET B 501 -16.758 -6.619 -5.492 1.00 0.00 C ATOM 1957 C MET B 501 -15.864 -6.488 -6.720 1.00 0.00 C ATOM 1958 O MET B 501 -16.364 -6.390 -7.844 1.00 0.00 O ATOM 1959 CB MET B 501 -16.759 -5.319 -4.684 1.00 0.00 C ATOM 1960 CG MET B 501 -17.607 -4.225 -5.273 1.00 0.00 C ATOM 1961 SD MET B 501 -16.844 -3.393 -6.682 1.00 0.00 S ATOM 1962 CE MET B 501 -15.457 -2.573 -5.900 1.00 0.00 C ATOM 0 H MET B 501 -16.316 -7.418 -3.638 1.00 0.00 H new ATOM 0 HA MET B 501 -17.760 -6.842 -5.859 1.00 0.00 H new ATOM 0 HB2 MET B 501 -17.111 -5.532 -3.675 1.00 0.00 H new ATOM 0 HB3 MET B 501 -15.734 -4.960 -4.594 1.00 0.00 H new ATOM 0 HG2 MET B 501 -18.562 -4.646 -5.585 1.00 0.00 H new ATOM 0 HG3 MET B 501 -17.821 -3.488 -4.500 1.00 0.00 H new ATOM 0 HE1 MET B 501 -14.644 -2.468 -6.619 1.00 0.00 H new ATOM 0 HE2 MET B 501 -15.765 -1.586 -5.554 1.00 0.00 H new ATOM 0 HE3 MET B 501 -15.116 -3.165 -5.051 1.00 0.00 H new ATOM 1972 N THR B 502 -14.550 -6.506 -6.523 1.00 0.00 N ATOM 1973 CA THR B 502 -13.649 -6.247 -7.635 1.00 0.00 C ATOM 1974 C THR B 502 -12.347 -7.044 -7.599 1.00 0.00 C ATOM 1975 O THR B 502 -11.792 -7.332 -6.541 1.00 0.00 O ATOM 1976 CB THR B 502 -13.362 -4.737 -7.715 1.00 0.00 C ATOM 1977 OG1 THR B 502 -14.314 -4.088 -8.567 1.00 0.00 O ATOM 1978 CG2 THR B 502 -11.976 -4.446 -8.212 1.00 0.00 C ATOM 0 H THR B 502 -14.096 -6.692 -5.629 1.00 0.00 H new ATOM 0 HA THR B 502 -14.161 -6.590 -8.534 1.00 0.00 H new ATOM 0 HB THR B 502 -13.446 -4.349 -6.700 1.00 0.00 H new ATOM 0 HG1 THR B 502 -15.163 -3.982 -8.088 1.00 0.00 H new ATOM 0 HG21 THR B 502 -11.822 -3.368 -8.251 1.00 0.00 H new ATOM 0 HG22 THR B 502 -11.246 -4.893 -7.537 1.00 0.00 H new ATOM 0 HG23 THR B 502 -11.852 -4.866 -9.210 1.00 0.00 H new ATOM 1986 N LYS B 503 -11.888 -7.406 -8.796 1.00 0.00 N ATOM 1987 CA LYS B 503 -10.591 -8.000 -8.983 1.00 0.00 C ATOM 1988 C LYS B 503 -9.524 -6.937 -9.192 1.00 0.00 C ATOM 1989 O LYS B 503 -9.551 -6.207 -10.173 1.00 0.00 O ATOM 1990 CB LYS B 503 -10.629 -8.963 -10.163 1.00 0.00 C ATOM 1991 CG LYS B 503 -9.341 -9.019 -10.969 1.00 0.00 C ATOM 1992 CD LYS B 503 -9.205 -10.311 -11.755 1.00 0.00 C ATOM 1993 CE LYS B 503 -10.541 -10.816 -12.285 1.00 0.00 C ATOM 1994 NZ LYS B 503 -11.114 -9.919 -13.322 1.00 0.00 N ATOM 0 H LYS B 503 -12.418 -7.289 -9.660 1.00 0.00 H new ATOM 0 HA LYS B 503 -10.332 -8.554 -8.081 1.00 0.00 H new ATOM 0 HB2 LYS B 503 -10.856 -9.963 -9.793 1.00 0.00 H new ATOM 0 HB3 LYS B 503 -11.446 -8.675 -10.825 1.00 0.00 H new ATOM 0 HG2 LYS B 503 -9.309 -8.174 -11.656 1.00 0.00 H new ATOM 0 HG3 LYS B 503 -8.490 -8.915 -10.296 1.00 0.00 H new ATOM 0 HD2 LYS B 503 -8.523 -10.154 -12.590 1.00 0.00 H new ATOM 0 HD3 LYS B 503 -8.759 -11.075 -11.118 1.00 0.00 H new ATOM 0 HE2 LYS B 503 -10.409 -11.814 -12.704 1.00 0.00 H new ATOM 0 HE3 LYS B 503 -11.245 -10.908 -11.458 1.00 0.00 H new ATOM 0 HZ1 LYS B 503 -12.114 -9.731 -13.105 1.00 0.00 H new ATOM 0 HZ2 LYS B 503 -10.588 -9.022 -13.334 1.00 0.00 H new ATOM 0 HZ3 LYS B 503 -11.042 -10.375 -14.254 1.00 0.00 H new ATOM 2008 N ILE B 504 -8.578 -6.883 -8.275 1.00 0.00 N ATOM 2009 CA ILE B 504 -7.552 -5.879 -8.280 1.00 0.00 C ATOM 2010 C ILE B 504 -6.293 -6.369 -8.930 1.00 0.00 C ATOM 2011 O ILE B 504 -5.534 -7.117 -8.330 1.00 0.00 O ATOM 2012 CB ILE B 504 -7.183 -5.456 -6.869 1.00 0.00 C ATOM 2013 CG1 ILE B 504 -8.420 -5.016 -6.137 1.00 0.00 C ATOM 2014 CG2 ILE B 504 -6.193 -4.326 -6.927 1.00 0.00 C ATOM 2015 CD1 ILE B 504 -8.119 -4.193 -4.920 1.00 0.00 C ATOM 0 H ILE B 504 -8.506 -7.544 -7.502 1.00 0.00 H new ATOM 0 HA ILE B 504 -7.965 -5.040 -8.840 1.00 0.00 H new ATOM 0 HB ILE B 504 -6.735 -6.298 -6.341 1.00 0.00 H new ATOM 0 HG12 ILE B 504 -9.049 -4.438 -6.813 1.00 0.00 H new ATOM 0 HG13 ILE B 504 -8.993 -5.895 -5.842 1.00 0.00 H new ATOM 0 HG21 ILE B 504 -5.928 -4.022 -5.914 1.00 0.00 H new ATOM 0 HG22 ILE B 504 -5.297 -4.654 -7.454 1.00 0.00 H new ATOM 0 HG23 ILE B 504 -6.635 -3.481 -7.455 1.00 0.00 H new ATOM 0 HD11 ILE B 504 -9.052 -3.906 -4.435 1.00 0.00 H new ATOM 0 HD12 ILE B 504 -7.514 -4.777 -4.226 1.00 0.00 H new ATOM 0 HD13 ILE B 504 -7.572 -3.297 -5.213 1.00 0.00 H new ATOM 2027 N PRO B 505 -6.014 -5.893 -10.119 1.00 0.00 N ATOM 2028 CA PRO B 505 -4.814 -6.247 -10.820 1.00 0.00 C ATOM 2029 C PRO B 505 -3.652 -5.473 -10.226 1.00 0.00 C ATOM 2030 O PRO B 505 -3.477 -4.272 -10.467 1.00 0.00 O ATOM 2031 CB PRO B 505 -5.145 -5.846 -12.248 1.00 0.00 C ATOM 2032 CG PRO B 505 -6.050 -4.677 -12.105 1.00 0.00 C ATOM 2033 CD PRO B 505 -6.802 -4.898 -10.835 1.00 0.00 C ATOM 0 HA PRO B 505 -4.518 -7.294 -10.759 1.00 0.00 H new ATOM 0 HB2 PRO B 505 -4.246 -5.586 -12.806 1.00 0.00 H new ATOM 0 HB3 PRO B 505 -5.630 -6.660 -12.787 1.00 0.00 H new ATOM 0 HG2 PRO B 505 -5.484 -3.746 -12.067 1.00 0.00 H new ATOM 0 HG3 PRO B 505 -6.730 -4.602 -12.954 1.00 0.00 H new ATOM 0 HD2 PRO B 505 -6.894 -3.976 -10.262 1.00 0.00 H new ATOM 0 HD3 PRO B 505 -7.813 -5.255 -11.028 1.00 0.00 H new ATOM 2041 N VAL B 506 -2.933 -6.137 -9.346 1.00 0.00 N ATOM 2042 CA VAL B 506 -1.848 -5.502 -8.636 1.00 0.00 C ATOM 2043 C VAL B 506 -0.511 -5.698 -9.348 1.00 0.00 C ATOM 2044 O VAL B 506 -0.395 -6.461 -10.311 1.00 0.00 O ATOM 2045 CB VAL B 506 -1.742 -6.066 -7.213 1.00 0.00 C ATOM 2046 CG1 VAL B 506 -3.069 -5.978 -6.469 1.00 0.00 C ATOM 2047 CG2 VAL B 506 -1.292 -7.487 -7.270 1.00 0.00 C ATOM 0 H VAL B 506 -3.082 -7.117 -9.106 1.00 0.00 H new ATOM 0 HA VAL B 506 -2.068 -4.435 -8.601 1.00 0.00 H new ATOM 0 HB VAL B 506 -1.014 -5.465 -6.668 1.00 0.00 H new ATOM 0 HG11 VAL B 506 -2.951 -6.388 -5.466 1.00 0.00 H new ATOM 0 HG12 VAL B 506 -3.380 -4.935 -6.401 1.00 0.00 H new ATOM 0 HG13 VAL B 506 -3.826 -6.548 -7.007 1.00 0.00 H new ATOM 0 HG21 VAL B 506 -1.217 -7.886 -6.258 1.00 0.00 H new ATOM 0 HG22 VAL B 506 -2.013 -8.074 -7.839 1.00 0.00 H new ATOM 0 HG23 VAL B 506 -0.317 -7.541 -7.754 1.00 0.00 H new ATOM 2057 N ILE B 507 0.482 -4.985 -8.852 1.00 0.00 N ATOM 2058 CA ILE B 507 1.850 -5.058 -9.337 1.00 0.00 C ATOM 2059 C ILE B 507 2.751 -5.399 -8.160 1.00 0.00 C ATOM 2060 O ILE B 507 2.273 -5.442 -7.033 1.00 0.00 O ATOM 2061 CB ILE B 507 2.275 -3.725 -9.970 1.00 0.00 C ATOM 2062 CG1 ILE B 507 2.516 -2.698 -8.900 1.00 0.00 C ATOM 2063 CG2 ILE B 507 1.173 -3.217 -10.870 1.00 0.00 C ATOM 2064 CD1 ILE B 507 3.096 -1.404 -9.410 1.00 0.00 C ATOM 0 H ILE B 507 0.359 -4.325 -8.084 1.00 0.00 H new ATOM 0 HA ILE B 507 1.930 -5.826 -10.106 1.00 0.00 H new ATOM 0 HB ILE B 507 3.189 -3.889 -10.541 1.00 0.00 H new ATOM 0 HG12 ILE B 507 1.574 -2.487 -8.395 1.00 0.00 H new ATOM 0 HG13 ILE B 507 3.191 -3.117 -8.154 1.00 0.00 H new ATOM 0 HG21 ILE B 507 1.476 -2.271 -11.318 1.00 0.00 H new ATOM 0 HG22 ILE B 507 0.981 -3.946 -11.657 1.00 0.00 H new ATOM 0 HG23 ILE B 507 0.266 -3.067 -10.285 1.00 0.00 H new ATOM 0 HD11 ILE B 507 3.240 -0.716 -8.577 1.00 0.00 H new ATOM 0 HD12 ILE B 507 4.055 -1.599 -9.889 1.00 0.00 H new ATOM 0 HD13 ILE B 507 2.413 -0.959 -10.134 1.00 0.00 H new ATOM 2076 N GLU B 508 4.029 -5.643 -8.396 1.00 0.00 N ATOM 2077 CA GLU B 508 4.900 -6.111 -7.326 1.00 0.00 C ATOM 2078 C GLU B 508 5.992 -5.093 -7.000 1.00 0.00 C ATOM 2079 O GLU B 508 6.488 -4.389 -7.882 1.00 0.00 O ATOM 2080 CB GLU B 508 5.467 -7.476 -7.701 1.00 0.00 C ATOM 2081 CG GLU B 508 4.369 -8.511 -7.866 1.00 0.00 C ATOM 2082 CD GLU B 508 4.860 -9.832 -8.409 1.00 0.00 C ATOM 2083 OE1 GLU B 508 5.087 -9.930 -9.632 1.00 0.00 O ATOM 2084 OE2 GLU B 508 4.982 -10.794 -7.627 1.00 0.00 O ATOM 0 H GLU B 508 4.483 -5.528 -9.302 1.00 0.00 H new ATOM 0 HA GLU B 508 4.317 -6.221 -6.411 1.00 0.00 H new ATOM 0 HB2 GLU B 508 6.032 -7.393 -8.629 1.00 0.00 H new ATOM 0 HB3 GLU B 508 6.165 -7.805 -6.931 1.00 0.00 H new ATOM 0 HG2 GLU B 508 3.892 -8.679 -6.901 1.00 0.00 H new ATOM 0 HG3 GLU B 508 3.605 -8.114 -8.534 1.00 0.00 H new ATOM 2091 N ASN B 509 6.351 -5.030 -5.719 1.00 0.00 N ATOM 2092 CA ASN B 509 7.162 -3.935 -5.182 1.00 0.00 C ATOM 2093 C ASN B 509 8.631 -4.031 -5.577 1.00 0.00 C ATOM 2094 O ASN B 509 9.262 -5.074 -5.434 1.00 0.00 O ATOM 2095 CB ASN B 509 7.049 -3.875 -3.650 1.00 0.00 C ATOM 2096 CG ASN B 509 7.669 -5.062 -2.918 1.00 0.00 C ATOM 2097 OD1 ASN B 509 7.762 -6.174 -3.439 1.00 0.00 O ATOM 2098 ND2 ASN B 509 8.061 -4.835 -1.673 1.00 0.00 N ATOM 0 H ASN B 509 6.090 -5.732 -5.026 1.00 0.00 H new ATOM 0 HA ASN B 509 6.763 -3.021 -5.621 1.00 0.00 H new ATOM 0 HB2 ASN B 509 7.526 -2.960 -3.300 1.00 0.00 H new ATOM 0 HB3 ASN B 509 5.995 -3.809 -3.379 1.00 0.00 H new ATOM 0 HD21 ASN B 509 8.454 -5.594 -1.116 1.00 0.00 H new ATOM 0 HD22 ASN B 509 7.970 -3.902 -1.272 1.00 0.00 H new ATOM 2105 N PRO B 510 9.202 -2.920 -6.066 1.00 0.00 N ATOM 2106 CA PRO B 510 10.628 -2.835 -6.371 1.00 0.00 C ATOM 2107 C PRO B 510 11.493 -2.805 -5.112 1.00 0.00 C ATOM 2108 O PRO B 510 12.715 -2.774 -5.199 1.00 0.00 O ATOM 2109 CB PRO B 510 10.773 -1.510 -7.137 1.00 0.00 C ATOM 2110 CG PRO B 510 9.384 -1.068 -7.455 1.00 0.00 C ATOM 2111 CD PRO B 510 8.501 -1.673 -6.405 1.00 0.00 C ATOM 0 HA PRO B 510 10.962 -3.705 -6.936 1.00 0.00 H new ATOM 0 HB2 PRO B 510 11.292 -0.765 -6.534 1.00 0.00 H new ATOM 0 HB3 PRO B 510 11.357 -1.647 -8.047 1.00 0.00 H new ATOM 0 HG2 PRO B 510 9.310 0.019 -7.446 1.00 0.00 H new ATOM 0 HG3 PRO B 510 9.088 -1.400 -8.450 1.00 0.00 H new ATOM 0 HD2 PRO B 510 8.397 -1.020 -5.539 1.00 0.00 H new ATOM 0 HD3 PRO B 510 7.496 -1.864 -6.783 1.00 0.00 H new ATOM 2119 N GLN B 511 10.860 -2.825 -3.940 1.00 0.00 N ATOM 2120 CA GLN B 511 11.592 -2.755 -2.677 1.00 0.00 C ATOM 2121 C GLN B 511 12.454 -4.000 -2.485 1.00 0.00 C ATOM 2122 O GLN B 511 13.524 -3.948 -1.888 1.00 0.00 O ATOM 2123 CB GLN B 511 10.624 -2.584 -1.502 1.00 0.00 C ATOM 2124 CG GLN B 511 10.088 -1.163 -1.317 1.00 0.00 C ATOM 2125 CD GLN B 511 10.344 -0.265 -2.509 1.00 0.00 C ATOM 2126 OE1 GLN B 511 9.412 -0.237 -3.443 1.00 0.00 O flip ATOM 2127 NE2 GLN B 511 11.369 0.402 -2.589 1.00 0.00 N flip ATOM 0 H GLN B 511 9.847 -2.889 -3.839 1.00 0.00 H new ATOM 0 HA GLN B 511 12.249 -1.886 -2.710 1.00 0.00 H new ATOM 0 HB2 GLN B 511 9.781 -3.260 -1.642 1.00 0.00 H new ATOM 0 HB3 GLN B 511 11.129 -2.890 -0.586 1.00 0.00 H new ATOM 0 HG2 GLN B 511 9.015 -1.209 -1.129 1.00 0.00 H new ATOM 0 HG3 GLN B 511 10.548 -0.721 -0.433 1.00 0.00 H new ATOM 0 HE21 GLN B 511 12.067 0.355 -1.847 1.00 0.00 H new ATOM 0 HE22 GLN B 511 11.524 1.005 -3.397 1.00 0.00 H new