USER MOD reduce.3.24.130724 H: found=0, std=0, add=758, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 759 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 50 THR OG1 : rot 31:sc= 0.364 USER MOD Set 1.2: A 69 THR OG1 : rot -160:sc= 0.4 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 132:sc= 1.49 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 179:sc= 0.0406 (180deg=0.0364) USER MOD Single : A 47 ASN : amide:sc= -0.901 K(o=-0.9,f=-2.3) USER MOD Single : A 49 GLN :FLIP amide:sc= -1.68! C(o=-2.7!,f=-1.7!) USER MOD Single : A 52 THR OG1 : rot 119:sc= 0.433 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 61 ASN : amide:sc=-0.00931 X(o=-0.0093,f=0) USER MOD Single : A 67 ASN : amide:sc= -3.37! C(o=-3.4!,f=-6.7!) USER MOD Single : A 68 THR OG1 : rot -7:sc= 0.955 USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=-0.1) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 77 THR OG1 : rot 130:sc= -0.437 USER MOD Single : A 80 ASN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 MET CE :methyl 153:sc= -2.62 (180deg=-5.06!) USER MOD Single : A 87 TYR OH : rot 150:sc= 0 USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 ASN : amide:sc= -0.496 K(o=-0.5,f=-9!) USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot -80:sc= 0.0972 USER MOD Single : A 104 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 THR OG1 : rot -171:sc= 1.67 USER MOD Single : A 111 GLN :FLIP amide:sc= -1.98 F(o=-2.7!,f=-2) USER MOD ----------------------------------------------------------------- ATOM 178 N VAL A 16 -4.014 22.017 3.912 1.00 0.00 N ATOM 179 CA VAL A 16 -4.713 22.010 2.633 1.00 0.00 C ATOM 180 C VAL A 16 -4.587 20.655 1.945 1.00 0.00 C ATOM 181 O VAL A 16 -5.014 20.485 0.802 1.00 0.00 O ATOM 182 CB VAL A 16 -4.174 23.104 1.692 1.00 0.00 C ATOM 183 CG1 VAL A 16 -4.161 24.453 2.395 1.00 0.00 C ATOM 184 CG2 VAL A 16 -2.784 22.739 1.194 1.00 0.00 C ATOM 0 HA VAL A 16 -5.763 22.210 2.846 1.00 0.00 H new ATOM 0 HB VAL A 16 -4.836 23.177 0.829 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -3.777 25.214 1.715 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -5.175 24.715 2.698 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -3.522 24.398 3.276 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -2.418 23.522 0.530 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -2.108 22.638 2.043 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -2.828 21.795 0.651 1.00 0.00 H new ATOM 194 N LEU A 17 -3.997 19.694 2.647 1.00 0.00 N ATOM 195 CA LEU A 17 -3.814 18.353 2.104 1.00 0.00 C ATOM 196 C LEU A 17 -5.038 17.484 2.374 1.00 0.00 C ATOM 197 O LEU A 17 -5.782 17.698 3.332 1.00 0.00 O ATOM 198 CB LEU A 17 -2.569 17.702 2.709 1.00 0.00 C ATOM 199 CG LEU A 17 -1.224 18.223 2.200 1.00 0.00 C ATOM 200 CD1 LEU A 17 -1.186 18.206 0.680 1.00 0.00 C ATOM 201 CD2 LEU A 17 -0.963 19.627 2.726 1.00 0.00 C ATOM 0 H LEU A 17 -3.637 19.819 3.593 1.00 0.00 H new ATOM 0 HA LEU A 17 -3.684 18.440 1.025 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -2.602 17.836 3.790 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -2.616 16.630 2.519 1.00 0.00 H new ATOM 0 HG LEU A 17 -0.437 17.565 2.570 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -0.222 18.580 0.336 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -1.327 17.186 0.324 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -1.982 18.840 0.289 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -0.002 19.982 2.354 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -1.753 20.296 2.386 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -0.946 19.610 3.816 1.00 0.00 H new ATOM 213 N PRO A 18 -5.252 16.478 1.513 1.00 0.00 N ATOM 214 CA PRO A 18 -6.384 15.555 1.640 1.00 0.00 C ATOM 215 C PRO A 18 -6.243 14.627 2.841 1.00 0.00 C ATOM 216 O PRO A 18 -5.234 13.936 2.988 1.00 0.00 O ATOM 217 CB PRO A 18 -6.336 14.754 0.337 1.00 0.00 C ATOM 218 CG PRO A 18 -4.913 14.821 -0.097 1.00 0.00 C ATOM 219 CD PRO A 18 -4.406 16.165 0.350 1.00 0.00 C ATOM 0 HA PRO A 18 -7.325 16.083 1.798 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -6.654 13.723 0.494 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -7.000 15.181 -0.415 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -4.330 14.016 0.350 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -4.829 14.712 -1.178 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -3.350 16.127 0.619 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -4.508 16.915 -0.435 1.00 0.00 H new ATOM 227 N SER A 19 -7.259 14.615 3.698 1.00 0.00 N ATOM 228 CA SER A 19 -7.246 13.773 4.888 1.00 0.00 C ATOM 229 C SER A 19 -6.953 12.321 4.524 1.00 0.00 C ATOM 230 O SER A 19 -7.296 11.861 3.435 1.00 0.00 O ATOM 231 CB SER A 19 -8.587 13.866 5.619 1.00 0.00 C ATOM 232 OG SER A 19 -8.523 13.233 6.885 1.00 0.00 O ATOM 0 H SER A 19 -8.102 15.179 3.590 1.00 0.00 H new ATOM 0 HA SER A 19 -6.455 14.131 5.547 1.00 0.00 H new ATOM 0 HB2 SER A 19 -8.864 14.913 5.746 1.00 0.00 H new ATOM 0 HB3 SER A 19 -9.367 13.401 5.016 1.00 0.00 H new ATOM 0 HG SER A 19 -9.392 13.308 7.332 1.00 0.00 H new ATOM 238 N ALA A 20 -6.314 11.604 5.443 1.00 0.00 N ATOM 239 CA ALA A 20 -5.975 10.204 5.220 1.00 0.00 C ATOM 240 C ALA A 20 -7.231 9.353 5.065 1.00 0.00 C ATOM 241 O ALA A 20 -8.243 9.569 5.733 1.00 0.00 O ATOM 242 CB ALA A 20 -5.119 9.680 6.364 1.00 0.00 C ATOM 0 H ALA A 20 -6.021 11.970 6.349 1.00 0.00 H new ATOM 0 HA ALA A 20 -5.405 10.137 4.293 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -4.873 8.633 6.185 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -4.200 10.263 6.427 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -5.670 9.768 7.300 1.00 0.00 H new ATOM 248 N PRO A 21 -7.168 8.364 4.162 1.00 0.00 N ATOM 249 CA PRO A 21 -8.293 7.461 3.897 1.00 0.00 C ATOM 250 C PRO A 21 -8.561 6.514 5.062 1.00 0.00 C ATOM 251 O PRO A 21 -7.669 6.226 5.860 1.00 0.00 O ATOM 252 CB PRO A 21 -7.835 6.676 2.665 1.00 0.00 C ATOM 253 CG PRO A 21 -6.347 6.722 2.718 1.00 0.00 C ATOM 254 CD PRO A 21 -5.995 8.049 3.330 1.00 0.00 C ATOM 0 HA PRO A 21 -9.227 8.004 3.750 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -8.200 5.649 2.691 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -8.212 7.125 1.746 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -5.952 5.900 3.315 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -5.918 6.626 1.721 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -5.085 7.987 3.926 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -5.827 8.810 2.569 1.00 0.00 H new ATOM 262 N ARG A 22 -9.796 6.031 5.153 1.00 0.00 N ATOM 263 CA ARG A 22 -10.182 5.117 6.221 1.00 0.00 C ATOM 264 C ARG A 22 -9.189 3.964 6.335 1.00 0.00 C ATOM 265 O ARG A 22 -8.584 3.552 5.345 1.00 0.00 O ATOM 266 CB ARG A 22 -11.589 4.569 5.969 1.00 0.00 C ATOM 267 CG ARG A 22 -12.038 3.547 7.000 1.00 0.00 C ATOM 268 CD ARG A 22 -12.517 4.219 8.278 1.00 0.00 C ATOM 269 NE ARG A 22 -13.934 4.566 8.216 1.00 0.00 N ATOM 270 CZ ARG A 22 -14.544 5.329 9.117 1.00 0.00 C ATOM 271 NH1 ARG A 22 -13.863 5.822 10.143 1.00 0.00 N ATOM 272 NH2 ARG A 22 -15.836 5.600 8.993 1.00 0.00 N ATOM 0 H ARG A 22 -10.546 6.258 4.500 1.00 0.00 H new ATOM 0 HA ARG A 22 -10.178 5.672 7.159 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -12.296 5.398 5.960 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -11.620 4.112 4.980 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -12.841 2.938 6.585 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -11.213 2.873 7.229 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -12.343 3.554 9.124 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -11.930 5.120 8.455 1.00 0.00 H new ATOM 0 HE ARG A 22 -14.486 4.203 7.439 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -12.869 5.616 10.242 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -14.333 6.407 10.833 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -16.363 5.223 8.205 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -16.303 6.186 9.685 1.00 0.00 H new ATOM 286 N ASP A 23 -9.027 3.448 7.548 1.00 0.00 N ATOM 287 CA ASP A 23 -8.107 2.343 7.792 1.00 0.00 C ATOM 288 C ASP A 23 -8.217 1.292 6.692 1.00 0.00 C ATOM 289 O ASP A 23 -9.115 0.450 6.710 1.00 0.00 O ATOM 290 CB ASP A 23 -8.392 1.705 9.153 1.00 0.00 C ATOM 291 CG ASP A 23 -7.280 0.779 9.603 1.00 0.00 C ATOM 292 OD1 ASP A 23 -6.976 -0.183 8.867 1.00 0.00 O ATOM 293 OD2 ASP A 23 -6.714 1.014 10.691 1.00 0.00 O ATOM 0 H ASP A 23 -9.521 3.777 8.378 1.00 0.00 H new ATOM 0 HA ASP A 23 -7.092 2.741 7.791 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -8.531 2.490 9.897 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -9.327 1.147 9.101 1.00 0.00 H new ATOM 298 N VAL A 24 -7.297 1.348 5.734 1.00 0.00 N ATOM 299 CA VAL A 24 -7.289 0.401 4.625 1.00 0.00 C ATOM 300 C VAL A 24 -7.422 -1.032 5.125 1.00 0.00 C ATOM 301 O VAL A 24 -6.692 -1.459 6.020 1.00 0.00 O ATOM 302 CB VAL A 24 -6.001 0.525 3.790 1.00 0.00 C ATOM 303 CG1 VAL A 24 -6.061 -0.390 2.576 1.00 0.00 C ATOM 304 CG2 VAL A 24 -5.776 1.969 3.369 1.00 0.00 C ATOM 0 H VAL A 24 -6.548 2.039 5.704 1.00 0.00 H new ATOM 0 HA VAL A 24 -8.145 0.644 3.996 1.00 0.00 H new ATOM 0 HB VAL A 24 -5.158 0.215 4.407 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -5.142 -0.289 1.998 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -6.171 -1.424 2.904 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -6.913 -0.114 1.954 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -4.862 2.038 2.780 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -6.620 2.309 2.769 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -5.685 2.596 4.256 1.00 0.00 H new ATOM 314 N VAL A 25 -8.359 -1.773 4.541 1.00 0.00 N ATOM 315 CA VAL A 25 -8.587 -3.161 4.927 1.00 0.00 C ATOM 316 C VAL A 25 -8.528 -4.084 3.715 1.00 0.00 C ATOM 317 O VAL A 25 -8.991 -3.749 2.624 1.00 0.00 O ATOM 318 CB VAL A 25 -9.950 -3.333 5.623 1.00 0.00 C ATOM 319 CG1 VAL A 25 -10.006 -2.506 6.899 1.00 0.00 C ATOM 320 CG2 VAL A 25 -11.082 -2.952 4.681 1.00 0.00 C ATOM 0 H VAL A 25 -8.972 -1.435 3.799 1.00 0.00 H new ATOM 0 HA VAL A 25 -7.794 -3.430 5.625 1.00 0.00 H new ATOM 0 HB VAL A 25 -10.071 -4.382 5.892 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -10.976 -2.640 7.377 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -9.219 -2.832 7.579 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -9.863 -1.453 6.657 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -12.037 -3.080 5.190 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -10.969 -1.911 4.378 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -11.052 -3.592 3.799 1.00 0.00 H new ATOM 330 N PRO A 26 -7.946 -5.277 3.908 1.00 0.00 N ATOM 331 CA PRO A 26 -7.813 -6.275 2.843 1.00 0.00 C ATOM 332 C PRO A 26 -9.154 -6.884 2.448 1.00 0.00 C ATOM 333 O PRO A 26 -9.512 -7.970 2.904 1.00 0.00 O ATOM 334 CB PRO A 26 -6.904 -7.338 3.464 1.00 0.00 C ATOM 335 CG PRO A 26 -7.113 -7.203 4.933 1.00 0.00 C ATOM 336 CD PRO A 26 -7.372 -5.743 5.182 1.00 0.00 C ATOM 0 HA PRO A 26 -7.418 -5.841 1.925 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -7.168 -8.337 3.117 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -5.861 -7.173 3.196 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -7.955 -7.811 5.265 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -6.237 -7.544 5.485 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -8.062 -5.593 6.012 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -6.455 -5.208 5.429 1.00 0.00 H new ATOM 344 N VAL A 27 -9.893 -6.177 1.598 1.00 0.00 N ATOM 345 CA VAL A 27 -11.194 -6.649 1.141 1.00 0.00 C ATOM 346 C VAL A 27 -11.068 -7.973 0.395 1.00 0.00 C ATOM 347 O VAL A 27 -11.936 -8.840 0.496 1.00 0.00 O ATOM 348 CB VAL A 27 -11.874 -5.617 0.222 1.00 0.00 C ATOM 349 CG1 VAL A 27 -12.667 -4.611 1.043 1.00 0.00 C ATOM 350 CG2 VAL A 27 -10.841 -4.914 -0.645 1.00 0.00 C ATOM 0 H VAL A 27 -9.612 -5.275 1.212 1.00 0.00 H new ATOM 0 HA VAL A 27 -11.808 -6.794 2.030 1.00 0.00 H new ATOM 0 HB VAL A 27 -12.568 -6.142 -0.434 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -13.140 -3.890 0.377 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -13.433 -5.133 1.616 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -11.996 -4.089 1.725 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -11.339 -4.188 -1.288 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -10.120 -4.401 -0.008 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -10.322 -5.649 -1.261 1.00 0.00 H new ATOM 360 N LEU A 28 -9.980 -8.122 -0.353 1.00 0.00 N ATOM 361 CA LEU A 28 -9.739 -9.341 -1.117 1.00 0.00 C ATOM 362 C LEU A 28 -8.249 -9.663 -1.171 1.00 0.00 C ATOM 363 O LEU A 28 -7.463 -8.919 -1.758 1.00 0.00 O ATOM 364 CB LEU A 28 -10.293 -9.196 -2.536 1.00 0.00 C ATOM 365 CG LEU A 28 -10.782 -10.483 -3.200 1.00 0.00 C ATOM 366 CD1 LEU A 28 -9.704 -11.554 -3.148 1.00 0.00 C ATOM 367 CD2 LEU A 28 -12.058 -10.975 -2.534 1.00 0.00 C ATOM 0 H LEU A 28 -9.251 -7.414 -0.447 1.00 0.00 H new ATOM 0 HA LEU A 28 -10.252 -10.162 -0.616 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -11.120 -8.487 -2.511 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -9.517 -8.759 -3.165 1.00 0.00 H new ATOM 0 HG LEU A 28 -11.001 -10.269 -4.246 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -10.071 -12.463 -3.625 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -8.816 -11.202 -3.672 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -9.452 -11.766 -2.109 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -12.392 -11.892 -3.020 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -11.865 -11.172 -1.479 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -12.833 -10.214 -2.625 1.00 0.00 H new ATOM 379 N VAL A 29 -7.867 -10.779 -0.557 1.00 0.00 N ATOM 380 CA VAL A 29 -6.472 -11.202 -0.538 1.00 0.00 C ATOM 381 C VAL A 29 -6.294 -12.539 -1.248 1.00 0.00 C ATOM 382 O VAL A 29 -6.985 -13.512 -0.945 1.00 0.00 O ATOM 383 CB VAL A 29 -5.942 -11.324 0.903 1.00 0.00 C ATOM 384 CG1 VAL A 29 -6.921 -12.102 1.768 1.00 0.00 C ATOM 385 CG2 VAL A 29 -4.570 -11.981 0.912 1.00 0.00 C ATOM 0 H VAL A 29 -8.504 -11.406 -0.066 1.00 0.00 H new ATOM 0 HA VAL A 29 -5.902 -10.436 -1.063 1.00 0.00 H new ATOM 0 HB VAL A 29 -5.842 -10.322 1.321 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -6.529 -12.178 2.782 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -7.880 -11.585 1.787 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -7.056 -13.102 1.355 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -4.211 -12.059 1.938 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -4.641 -12.977 0.475 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -3.874 -11.378 0.329 1.00 0.00 H new ATOM 395 N SER A 30 -5.361 -12.581 -2.195 1.00 0.00 N ATOM 396 CA SER A 30 -5.094 -13.799 -2.951 1.00 0.00 C ATOM 397 C SER A 30 -3.683 -14.311 -2.674 1.00 0.00 C ATOM 398 O SER A 30 -2.931 -13.708 -1.910 1.00 0.00 O ATOM 399 CB SER A 30 -5.271 -13.544 -4.449 1.00 0.00 C ATOM 400 OG SER A 30 -6.614 -13.761 -4.848 1.00 0.00 O ATOM 0 H SER A 30 -4.778 -11.786 -2.456 1.00 0.00 H new ATOM 0 HA SER A 30 -5.807 -14.559 -2.633 1.00 0.00 H new ATOM 0 HB2 SER A 30 -4.979 -12.520 -4.684 1.00 0.00 H new ATOM 0 HB3 SER A 30 -4.610 -14.201 -5.014 1.00 0.00 H new ATOM 0 HG SER A 30 -6.918 -13.008 -5.396 1.00 0.00 H new ATOM 406 N SER A 31 -3.333 -15.429 -3.303 1.00 0.00 N ATOM 407 CA SER A 31 -2.015 -16.025 -3.123 1.00 0.00 C ATOM 408 C SER A 31 -0.998 -15.392 -4.067 1.00 0.00 C ATOM 409 O SER A 31 0.207 -15.433 -3.818 1.00 0.00 O ATOM 410 CB SER A 31 -2.078 -17.535 -3.361 1.00 0.00 C ATOM 411 OG SER A 31 -2.311 -17.826 -4.729 1.00 0.00 O ATOM 0 H SER A 31 -3.944 -15.939 -3.941 1.00 0.00 H new ATOM 0 HA SER A 31 -1.697 -15.839 -2.097 1.00 0.00 H new ATOM 0 HB2 SER A 31 -1.143 -17.996 -3.042 1.00 0.00 H new ATOM 0 HB3 SER A 31 -2.872 -17.969 -2.753 1.00 0.00 H new ATOM 0 HG SER A 31 -2.345 -18.797 -4.856 1.00 0.00 H new ATOM 417 N ARG A 32 -1.492 -14.807 -5.153 1.00 0.00 N ATOM 418 CA ARG A 32 -0.628 -14.165 -6.136 1.00 0.00 C ATOM 419 C ARG A 32 -0.810 -12.651 -6.114 1.00 0.00 C ATOM 420 O ARG A 32 0.061 -11.904 -6.562 1.00 0.00 O ATOM 421 CB ARG A 32 -0.925 -14.705 -7.537 1.00 0.00 C ATOM 422 CG ARG A 32 -0.033 -14.117 -8.618 1.00 0.00 C ATOM 423 CD ARG A 32 -0.568 -14.423 -10.008 1.00 0.00 C ATOM 424 NE ARG A 32 -0.525 -15.852 -10.309 1.00 0.00 N ATOM 425 CZ ARG A 32 0.596 -16.514 -10.571 1.00 0.00 C ATOM 426 NH1 ARG A 32 1.761 -15.881 -10.569 1.00 0.00 N ATOM 427 NH2 ARG A 32 0.554 -17.814 -10.835 1.00 0.00 N ATOM 0 H ARG A 32 -2.487 -14.764 -5.374 1.00 0.00 H new ATOM 0 HA ARG A 32 0.406 -14.393 -5.877 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -0.809 -15.789 -7.532 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -1.966 -14.497 -7.784 1.00 0.00 H new ATOM 0 HG2 ARG A 32 0.040 -13.038 -8.484 1.00 0.00 H new ATOM 0 HG3 ARG A 32 0.975 -14.519 -8.518 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -1.595 -14.067 -10.088 1.00 0.00 H new ATOM 0 HD3 ARG A 32 0.017 -13.879 -10.749 1.00 0.00 H new ATOM 0 HE ARG A 32 -1.404 -16.369 -10.318 1.00 0.00 H new ATOM 0 HH11 ARG A 32 1.798 -14.882 -10.366 1.00 0.00 H new ATOM 0 HH12 ARG A 32 2.620 -16.393 -10.771 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -0.340 -18.305 -10.837 1.00 0.00 H new ATOM 0 HH22 ARG A 32 1.416 -18.322 -11.036 1.00 0.00 H new ATOM 441 N PHE A 33 -1.946 -12.204 -5.590 1.00 0.00 N ATOM 442 CA PHE A 33 -2.243 -10.778 -5.511 1.00 0.00 C ATOM 443 C PHE A 33 -3.071 -10.463 -4.268 1.00 0.00 C ATOM 444 O PHE A 33 -3.506 -11.366 -3.553 1.00 0.00 O ATOM 445 CB PHE A 33 -2.990 -10.320 -6.765 1.00 0.00 C ATOM 446 CG PHE A 33 -4.351 -10.939 -6.911 1.00 0.00 C ATOM 447 CD1 PHE A 33 -5.457 -10.361 -6.308 1.00 0.00 C ATOM 448 CD2 PHE A 33 -4.525 -12.096 -7.651 1.00 0.00 C ATOM 449 CE1 PHE A 33 -6.710 -10.928 -6.440 1.00 0.00 C ATOM 450 CE2 PHE A 33 -5.776 -12.668 -7.787 1.00 0.00 C ATOM 451 CZ PHE A 33 -6.870 -12.083 -7.181 1.00 0.00 C ATOM 0 H PHE A 33 -2.676 -12.808 -5.214 1.00 0.00 H new ATOM 0 HA PHE A 33 -1.298 -10.239 -5.443 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -3.094 -9.235 -6.741 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -2.393 -10.564 -7.644 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -5.338 -9.457 -5.729 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -3.673 -12.557 -8.128 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -7.564 -10.469 -5.964 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -5.898 -13.571 -8.366 1.00 0.00 H new ATOM 0 HZ PHE A 33 -7.849 -12.527 -7.286 1.00 0.00 H new ATOM 461 N VAL A 34 -3.284 -9.175 -4.018 1.00 0.00 N ATOM 462 CA VAL A 34 -4.060 -8.740 -2.863 1.00 0.00 C ATOM 463 C VAL A 34 -4.676 -7.366 -3.101 1.00 0.00 C ATOM 464 O VAL A 34 -3.981 -6.350 -3.078 1.00 0.00 O ATOM 465 CB VAL A 34 -3.193 -8.688 -1.591 1.00 0.00 C ATOM 466 CG1 VAL A 34 -4.037 -8.308 -0.384 1.00 0.00 C ATOM 467 CG2 VAL A 34 -2.497 -10.022 -1.366 1.00 0.00 C ATOM 0 H VAL A 34 -2.930 -8.415 -4.599 1.00 0.00 H new ATOM 0 HA VAL A 34 -4.855 -9.472 -2.722 1.00 0.00 H new ATOM 0 HB VAL A 34 -2.428 -7.923 -1.725 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -3.407 -8.276 0.505 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -4.484 -7.327 -0.547 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -4.825 -9.048 -0.244 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -1.889 -9.967 -0.463 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -3.244 -10.808 -1.253 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -1.859 -10.248 -2.220 1.00 0.00 H new ATOM 477 N ARG A 35 -5.986 -7.342 -3.329 1.00 0.00 N ATOM 478 CA ARG A 35 -6.696 -6.092 -3.572 1.00 0.00 C ATOM 479 C ARG A 35 -6.993 -5.372 -2.261 1.00 0.00 C ATOM 480 O ARG A 35 -7.276 -6.005 -1.242 1.00 0.00 O ATOM 481 CB ARG A 35 -8.000 -6.360 -4.326 1.00 0.00 C ATOM 482 CG ARG A 35 -8.872 -5.127 -4.493 1.00 0.00 C ATOM 483 CD ARG A 35 -10.224 -5.477 -5.094 1.00 0.00 C ATOM 484 NE ARG A 35 -10.179 -5.523 -6.553 1.00 0.00 N ATOM 485 CZ ARG A 35 -9.801 -6.593 -7.244 1.00 0.00 C ATOM 486 NH1 ARG A 35 -9.437 -7.700 -6.611 1.00 0.00 N ATOM 487 NH2 ARG A 35 -9.786 -6.557 -8.570 1.00 0.00 N ATOM 0 H ARG A 35 -6.576 -8.174 -3.350 1.00 0.00 H new ATOM 0 HA ARG A 35 -6.057 -5.453 -4.181 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -7.764 -6.764 -5.311 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -8.566 -7.125 -3.795 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -9.016 -4.648 -3.524 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -8.364 -4.405 -5.133 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -10.552 -6.443 -4.711 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -10.963 -4.741 -4.777 1.00 0.00 H new ATOM 0 HE ARG A 35 -10.453 -4.688 -7.070 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -9.447 -7.731 -5.592 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -9.147 -8.520 -7.144 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -10.065 -5.707 -9.060 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -9.496 -7.379 -9.099 1.00 0.00 H new ATOM 501 N LEU A 36 -6.928 -4.046 -2.292 1.00 0.00 N ATOM 502 CA LEU A 36 -7.190 -3.238 -1.106 1.00 0.00 C ATOM 503 C LEU A 36 -8.177 -2.118 -1.416 1.00 0.00 C ATOM 504 O LEU A 36 -8.061 -1.441 -2.438 1.00 0.00 O ATOM 505 CB LEU A 36 -5.885 -2.649 -0.567 1.00 0.00 C ATOM 506 CG LEU A 36 -4.752 -3.645 -0.315 1.00 0.00 C ATOM 507 CD1 LEU A 36 -3.418 -2.922 -0.215 1.00 0.00 C ATOM 508 CD2 LEU A 36 -5.021 -4.449 0.949 1.00 0.00 C ATOM 0 H LEU A 36 -6.696 -3.507 -3.126 1.00 0.00 H new ATOM 0 HA LEU A 36 -7.630 -3.885 -0.347 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -5.531 -1.897 -1.272 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -6.102 -2.132 0.368 1.00 0.00 H new ATOM 0 HG LEU A 36 -4.706 -4.335 -1.158 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -2.624 -3.647 -0.036 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -3.221 -2.391 -1.146 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -3.451 -2.209 0.609 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -4.205 -5.153 1.113 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -5.094 -3.773 1.801 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -5.957 -4.997 0.839 1.00 0.00 H new ATOM 520 N SER A 37 -9.146 -1.926 -0.527 1.00 0.00 N ATOM 521 CA SER A 37 -10.154 -0.888 -0.707 1.00 0.00 C ATOM 522 C SER A 37 -10.202 0.039 0.503 1.00 0.00 C ATOM 523 O SER A 37 -10.390 -0.408 1.634 1.00 0.00 O ATOM 524 CB SER A 37 -11.530 -1.518 -0.935 1.00 0.00 C ATOM 525 OG SER A 37 -12.555 -0.542 -0.870 1.00 0.00 O ATOM 0 H SER A 37 -9.254 -2.476 0.325 1.00 0.00 H new ATOM 0 HA SER A 37 -9.881 -0.300 -1.583 1.00 0.00 H new ATOM 0 HB2 SER A 37 -11.552 -2.009 -1.908 1.00 0.00 H new ATOM 0 HB3 SER A 37 -11.709 -2.289 -0.185 1.00 0.00 H new ATOM 0 HG SER A 37 -13.424 -0.970 -1.020 1.00 0.00 H new ATOM 531 N TRP A 38 -10.030 1.332 0.256 1.00 0.00 N ATOM 532 CA TRP A 38 -10.053 2.324 1.325 1.00 0.00 C ATOM 533 C TRP A 38 -11.118 3.383 1.063 1.00 0.00 C ATOM 534 O TRP A 38 -11.624 3.504 -0.053 1.00 0.00 O ATOM 535 CB TRP A 38 -8.681 2.986 1.464 1.00 0.00 C ATOM 536 CG TRP A 38 -8.133 3.496 0.166 1.00 0.00 C ATOM 537 CD1 TRP A 38 -8.138 4.788 -0.275 1.00 0.00 C ATOM 538 CD2 TRP A 38 -7.501 2.722 -0.860 1.00 0.00 C ATOM 539 NE1 TRP A 38 -7.548 4.865 -1.514 1.00 0.00 N ATOM 540 CE2 TRP A 38 -7.148 3.611 -1.895 1.00 0.00 C ATOM 541 CE3 TRP A 38 -7.198 1.366 -1.006 1.00 0.00 C ATOM 542 CZ2 TRP A 38 -6.509 3.185 -3.056 1.00 0.00 C ATOM 543 CZ3 TRP A 38 -6.564 0.945 -2.159 1.00 0.00 C ATOM 544 CH2 TRP A 38 -6.224 1.852 -3.171 1.00 0.00 C ATOM 0 H TRP A 38 -9.873 1.718 -0.675 1.00 0.00 H new ATOM 0 HA TRP A 38 -10.298 1.812 2.256 1.00 0.00 H new ATOM 0 HB2 TRP A 38 -8.755 3.814 2.169 1.00 0.00 H new ATOM 0 HB3 TRP A 38 -7.980 2.267 1.889 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -8.546 5.627 0.270 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -7.427 5.717 -2.061 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -7.455 0.659 -0.231 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -6.247 3.882 -3.838 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -6.326 -0.101 -2.282 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -5.727 1.492 -4.060 1.00 0.00 H new ATOM 555 N ARG A 39 -11.453 4.148 2.097 1.00 0.00 N ATOM 556 CA ARG A 39 -12.459 5.197 1.977 1.00 0.00 C ATOM 557 C ARG A 39 -11.831 6.499 1.490 1.00 0.00 C ATOM 558 O ARG A 39 -10.821 6.966 2.017 1.00 0.00 O ATOM 559 CB ARG A 39 -13.152 5.424 3.322 1.00 0.00 C ATOM 560 CG ARG A 39 -14.564 5.971 3.194 1.00 0.00 C ATOM 561 CD ARG A 39 -14.575 7.491 3.196 1.00 0.00 C ATOM 562 NE ARG A 39 -14.715 8.036 4.544 1.00 0.00 N ATOM 563 CZ ARG A 39 -14.962 9.316 4.798 1.00 0.00 C ATOM 564 NH1 ARG A 39 -15.097 10.179 3.800 1.00 0.00 N ATOM 565 NH2 ARG A 39 -15.076 9.735 6.052 1.00 0.00 N ATOM 0 H ARG A 39 -11.043 4.061 3.027 1.00 0.00 H new ATOM 0 HA ARG A 39 -13.199 4.875 1.244 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -13.185 4.481 3.868 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -12.556 6.116 3.916 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -15.015 5.604 2.272 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -15.175 5.601 4.017 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -13.652 7.861 2.750 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -15.395 7.848 2.574 1.00 0.00 H new ATOM 0 HE ARG A 39 -14.618 7.398 5.334 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -15.011 9.860 2.835 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -15.287 11.162 3.998 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -14.974 9.074 6.822 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -15.266 10.718 6.246 1.00 0.00 H new ATOM 579 N PRO A 40 -12.442 7.101 0.458 1.00 0.00 N ATOM 580 CA PRO A 40 -11.960 8.357 -0.123 1.00 0.00 C ATOM 581 C PRO A 40 -12.160 9.544 0.814 1.00 0.00 C ATOM 582 O PRO A 40 -13.127 9.610 1.573 1.00 0.00 O ATOM 583 CB PRO A 40 -12.819 8.518 -1.380 1.00 0.00 C ATOM 584 CG PRO A 40 -14.065 7.756 -1.089 1.00 0.00 C ATOM 585 CD PRO A 40 -13.650 6.601 -0.220 1.00 0.00 C ATOM 0 HA PRO A 40 -10.889 8.330 -0.322 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -13.035 9.568 -1.580 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -12.311 8.124 -2.260 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -14.797 8.384 -0.581 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -14.531 7.404 -2.009 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -14.430 6.334 0.493 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -13.439 5.709 -0.810 1.00 0.00 H new ATOM 593 N PRO A 41 -11.226 10.505 0.761 1.00 0.00 N ATOM 594 CA PRO A 41 -11.279 11.707 1.598 1.00 0.00 C ATOM 595 C PRO A 41 -12.409 12.647 1.192 1.00 0.00 C ATOM 596 O PRO A 41 -12.327 13.325 0.168 1.00 0.00 O ATOM 597 CB PRO A 41 -9.920 12.368 1.355 1.00 0.00 C ATOM 598 CG PRO A 41 -9.499 11.886 0.009 1.00 0.00 C ATOM 599 CD PRO A 41 -10.047 10.492 -0.121 1.00 0.00 C ATOM 0 HA PRO A 41 -11.471 11.467 2.644 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -9.998 13.455 1.380 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -9.199 12.083 2.121 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -9.888 12.533 -0.777 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -8.413 11.889 -0.085 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -10.318 10.261 -1.151 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -9.319 9.743 0.192 1.00 0.00 H new ATOM 607 N ALA A 42 -13.462 12.682 2.001 1.00 0.00 N ATOM 608 CA ALA A 42 -14.608 13.541 1.727 1.00 0.00 C ATOM 609 C ALA A 42 -14.160 14.946 1.338 1.00 0.00 C ATOM 610 O ALA A 42 -14.823 15.623 0.553 1.00 0.00 O ATOM 611 CB ALA A 42 -15.528 13.595 2.937 1.00 0.00 C ATOM 0 H ALA A 42 -13.546 12.126 2.852 1.00 0.00 H new ATOM 0 HA ALA A 42 -15.156 13.116 0.886 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -16.379 14.240 2.718 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -15.883 12.591 3.169 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -14.982 13.993 3.792 1.00 0.00 H new ATOM 617 N GLU A 43 -13.031 15.377 1.892 1.00 0.00 N ATOM 618 CA GLU A 43 -12.497 16.703 1.603 1.00 0.00 C ATOM 619 C GLU A 43 -11.073 16.609 1.062 1.00 0.00 C ATOM 620 O GLU A 43 -10.106 16.624 1.823 1.00 0.00 O ATOM 621 CB GLU A 43 -12.520 17.572 2.862 1.00 0.00 C ATOM 622 CG GLU A 43 -13.863 18.232 3.121 1.00 0.00 C ATOM 623 CD GLU A 43 -13.737 19.525 3.904 1.00 0.00 C ATOM 624 OE1 GLU A 43 -13.174 19.490 5.018 1.00 0.00 O ATOM 625 OE2 GLU A 43 -14.201 20.570 3.402 1.00 0.00 O ATOM 0 H GLU A 43 -12.469 14.828 2.543 1.00 0.00 H new ATOM 0 HA GLU A 43 -13.127 17.163 0.842 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -12.255 16.958 3.722 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -11.756 18.344 2.774 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -14.354 18.435 2.169 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -14.504 17.541 3.669 1.00 0.00 H new ATOM 632 N ALA A 44 -10.953 16.512 -0.258 1.00 0.00 N ATOM 633 CA ALA A 44 -9.648 16.417 -0.902 1.00 0.00 C ATOM 634 C ALA A 44 -9.104 17.800 -1.246 1.00 0.00 C ATOM 635 O ALA A 44 -8.224 17.938 -2.095 1.00 0.00 O ATOM 636 CB ALA A 44 -9.738 15.556 -2.153 1.00 0.00 C ATOM 0 H ALA A 44 -11.743 16.497 -0.902 1.00 0.00 H new ATOM 0 HA ALA A 44 -8.957 15.948 -0.201 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -8.757 15.494 -2.623 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -10.075 14.555 -1.882 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -10.447 16.001 -2.851 1.00 0.00 H new ATOM 642 N LYS A 45 -9.635 18.821 -0.582 1.00 0.00 N ATOM 643 CA LYS A 45 -9.203 20.194 -0.817 1.00 0.00 C ATOM 644 C LYS A 45 -8.963 20.442 -2.303 1.00 0.00 C ATOM 645 O LYS A 45 -8.060 21.189 -2.679 1.00 0.00 O ATOM 646 CB LYS A 45 -7.927 20.491 -0.027 1.00 0.00 C ATOM 647 CG LYS A 45 -7.993 20.049 1.425 1.00 0.00 C ATOM 648 CD LYS A 45 -8.820 21.010 2.263 1.00 0.00 C ATOM 649 CE LYS A 45 -10.279 20.585 2.322 1.00 0.00 C ATOM 650 NZ LYS A 45 -11.160 21.689 2.793 1.00 0.00 N ATOM 0 H LYS A 45 -10.365 18.724 0.123 1.00 0.00 H new ATOM 0 HA LYS A 45 -9.996 20.861 -0.479 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -7.086 19.994 -0.511 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -7.728 21.562 -0.063 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -8.425 19.050 1.483 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -6.984 19.984 1.833 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -8.413 21.057 3.273 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -8.749 22.014 1.844 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -10.602 20.259 1.333 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -10.381 19.729 2.989 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -12.148 21.364 2.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -10.879 21.972 3.753 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -11.070 22.503 2.152 1.00 0.00 H new ATOM 664 N GLY A 46 -9.777 19.811 -3.143 1.00 0.00 N ATOM 665 CA GLY A 46 -9.637 19.978 -4.578 1.00 0.00 C ATOM 666 C GLY A 46 -9.951 18.708 -5.343 1.00 0.00 C ATOM 667 O GLY A 46 -11.079 18.216 -5.307 1.00 0.00 O ATOM 0 H GLY A 46 -10.531 19.187 -2.856 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -10.301 20.775 -4.914 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -8.619 20.294 -4.806 1.00 0.00 H new ATOM 671 N ASN A 47 -8.952 18.175 -6.038 1.00 0.00 N ATOM 672 CA ASN A 47 -9.128 16.955 -6.817 1.00 0.00 C ATOM 673 C ASN A 47 -7.854 16.115 -6.809 1.00 0.00 C ATOM 674 O ASN A 47 -6.756 16.633 -7.019 1.00 0.00 O ATOM 675 CB ASN A 47 -9.518 17.296 -8.257 1.00 0.00 C ATOM 676 CG ASN A 47 -10.869 17.979 -8.344 1.00 0.00 C ATOM 677 OD1 ASN A 47 -11.018 19.137 -7.954 1.00 0.00 O ATOM 678 ND2 ASN A 47 -11.862 17.262 -8.857 1.00 0.00 N ATOM 0 H ASN A 47 -8.012 18.569 -6.078 1.00 0.00 H new ATOM 0 HA ASN A 47 -9.928 16.374 -6.359 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -8.758 17.944 -8.693 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -9.537 16.383 -8.851 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -12.794 17.668 -8.940 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -11.693 16.305 -9.168 1.00 0.00 H new ATOM 685 N ILE A 48 -8.008 14.818 -6.565 1.00 0.00 N ATOM 686 CA ILE A 48 -6.871 13.907 -6.531 1.00 0.00 C ATOM 687 C ILE A 48 -6.693 13.200 -7.870 1.00 0.00 C ATOM 688 O ILE A 48 -7.667 12.914 -8.566 1.00 0.00 O ATOM 689 CB ILE A 48 -7.029 12.851 -5.422 1.00 0.00 C ATOM 690 CG1 ILE A 48 -7.023 13.519 -4.046 1.00 0.00 C ATOM 691 CG2 ILE A 48 -5.920 11.813 -5.517 1.00 0.00 C ATOM 692 CD1 ILE A 48 -7.591 12.647 -2.948 1.00 0.00 C ATOM 0 H ILE A 48 -8.909 14.374 -6.388 1.00 0.00 H new ATOM 0 HA ILE A 48 -5.988 14.511 -6.322 1.00 0.00 H new ATOM 0 HB ILE A 48 -7.986 12.346 -5.556 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -6.000 13.793 -3.789 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -7.597 14.444 -4.098 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -6.045 11.073 -4.726 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -5.967 11.319 -6.487 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -4.953 12.303 -5.406 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -7.555 13.185 -2.001 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -8.625 12.394 -3.183 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -7.003 11.733 -2.869 1.00 0.00 H new ATOM 704 N GLN A 49 -5.443 12.919 -8.223 1.00 0.00 N ATOM 705 CA GLN A 49 -5.138 12.243 -9.479 1.00 0.00 C ATOM 706 C GLN A 49 -5.286 10.732 -9.334 1.00 0.00 C ATOM 707 O GLN A 49 -6.129 10.115 -9.986 1.00 0.00 O ATOM 708 CB GLN A 49 -3.719 12.587 -9.935 1.00 0.00 C ATOM 709 CG GLN A 49 -3.574 14.009 -10.454 1.00 0.00 C ATOM 710 CD GLN A 49 -4.308 15.020 -9.596 1.00 0.00 C ATOM 711 OE1 GLN A 49 -5.601 15.186 -9.852 1.00 0.00 O flip ATOM 712 NE2 GLN A 49 -3.721 15.646 -8.713 1.00 0.00 N flip ATOM 0 H GLN A 49 -4.626 13.149 -7.658 1.00 0.00 H new ATOM 0 HA GLN A 49 -5.848 12.588 -10.231 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -3.033 12.442 -9.100 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -3.419 11.891 -10.718 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -2.517 14.271 -10.494 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -3.954 14.060 -11.474 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -2.727 15.487 -8.550 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -4.229 16.323 -8.144 1.00 0.00 H new ATOM 721 N THR A 50 -4.461 10.141 -8.475 1.00 0.00 N ATOM 722 CA THR A 50 -4.499 8.702 -8.246 1.00 0.00 C ATOM 723 C THR A 50 -4.059 8.360 -6.827 1.00 0.00 C ATOM 724 O THR A 50 -3.684 9.241 -6.053 1.00 0.00 O ATOM 725 CB THR A 50 -3.601 7.950 -9.246 1.00 0.00 C ATOM 726 OG1 THR A 50 -3.881 6.547 -9.196 1.00 0.00 O ATOM 727 CG2 THR A 50 -2.131 8.191 -8.940 1.00 0.00 C ATOM 0 H THR A 50 -3.758 10.637 -7.927 1.00 0.00 H new ATOM 0 HA THR A 50 -5.532 8.386 -8.389 1.00 0.00 H new ATOM 0 HB THR A 50 -3.813 8.327 -10.247 1.00 0.00 H new ATOM 0 HG1 THR A 50 -4.825 6.410 -8.970 1.00 0.00 H new ATOM 0 HG21 THR A 50 -1.516 7.650 -9.659 1.00 0.00 H new ATOM 0 HG22 THR A 50 -1.915 9.257 -9.008 1.00 0.00 H new ATOM 0 HG23 THR A 50 -1.906 7.839 -7.933 1.00 0.00 H new ATOM 735 N PHE A 51 -4.106 7.075 -6.492 1.00 0.00 N ATOM 736 CA PHE A 51 -3.711 6.616 -5.166 1.00 0.00 C ATOM 737 C PHE A 51 -2.511 5.677 -5.249 1.00 0.00 C ATOM 738 O PHE A 51 -2.576 4.622 -5.882 1.00 0.00 O ATOM 739 CB PHE A 51 -4.881 5.907 -4.479 1.00 0.00 C ATOM 740 CG PHE A 51 -5.951 6.845 -3.998 1.00 0.00 C ATOM 741 CD1 PHE A 51 -6.938 7.293 -4.861 1.00 0.00 C ATOM 742 CD2 PHE A 51 -5.970 7.278 -2.682 1.00 0.00 C ATOM 743 CE1 PHE A 51 -7.923 8.156 -4.421 1.00 0.00 C ATOM 744 CE2 PHE A 51 -6.953 8.141 -2.235 1.00 0.00 C ATOM 745 CZ PHE A 51 -7.931 8.580 -3.106 1.00 0.00 C ATOM 0 H PHE A 51 -4.414 6.333 -7.121 1.00 0.00 H new ATOM 0 HA PHE A 51 -3.427 7.488 -4.577 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -5.321 5.192 -5.174 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -4.502 5.335 -3.632 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -6.937 6.964 -5.890 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -5.208 6.937 -1.997 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -8.686 8.499 -5.104 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -6.956 8.471 -1.207 1.00 0.00 H new ATOM 0 HZ PHE A 51 -8.701 9.254 -2.760 1.00 0.00 H new ATOM 755 N THR A 52 -1.415 6.068 -4.607 1.00 0.00 N ATOM 756 CA THR A 52 -0.200 5.264 -4.609 1.00 0.00 C ATOM 757 C THR A 52 -0.211 4.247 -3.474 1.00 0.00 C ATOM 758 O THR A 52 -0.589 4.564 -2.346 1.00 0.00 O ATOM 759 CB THR A 52 1.057 6.146 -4.481 1.00 0.00 C ATOM 760 OG1 THR A 52 1.110 7.084 -5.561 1.00 0.00 O ATOM 761 CG2 THR A 52 2.318 5.294 -4.480 1.00 0.00 C ATOM 0 H THR A 52 -1.344 6.938 -4.079 1.00 0.00 H new ATOM 0 HA THR A 52 -0.171 4.738 -5.563 1.00 0.00 H new ATOM 0 HB THR A 52 1.001 6.685 -3.535 1.00 0.00 H new ATOM 0 HG1 THR A 52 1.084 7.996 -5.204 1.00 0.00 H new ATOM 0 HG21 THR A 52 3.192 5.938 -4.389 1.00 0.00 H new ATOM 0 HG22 THR A 52 2.288 4.601 -3.639 1.00 0.00 H new ATOM 0 HG23 THR A 52 2.378 4.731 -5.412 1.00 0.00 H new ATOM 769 N VAL A 53 0.205 3.022 -3.780 1.00 0.00 N ATOM 770 CA VAL A 53 0.245 1.957 -2.784 1.00 0.00 C ATOM 771 C VAL A 53 1.590 1.241 -2.799 1.00 0.00 C ATOM 772 O VAL A 53 1.855 0.411 -3.669 1.00 0.00 O ATOM 773 CB VAL A 53 -0.876 0.927 -3.019 1.00 0.00 C ATOM 774 CG1 VAL A 53 -0.769 -0.216 -2.021 1.00 0.00 C ATOM 775 CG2 VAL A 53 -2.240 1.595 -2.934 1.00 0.00 C ATOM 0 H VAL A 53 0.519 2.742 -4.709 1.00 0.00 H new ATOM 0 HA VAL A 53 0.098 2.427 -1.812 1.00 0.00 H new ATOM 0 HB VAL A 53 -0.762 0.514 -4.021 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -1.569 -0.934 -2.203 1.00 0.00 H new ATOM 0 HG12 VAL A 53 0.195 -0.711 -2.137 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -0.856 0.176 -1.008 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -3.020 0.852 -3.103 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -2.368 2.037 -1.946 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -2.311 2.375 -3.693 1.00 0.00 H new ATOM 785 N PHE A 54 2.438 1.566 -1.828 1.00 0.00 N ATOM 786 CA PHE A 54 3.758 0.954 -1.729 1.00 0.00 C ATOM 787 C PHE A 54 3.688 -0.368 -0.970 1.00 0.00 C ATOM 788 O PHE A 54 2.968 -0.491 0.021 1.00 0.00 O ATOM 789 CB PHE A 54 4.733 1.904 -1.032 1.00 0.00 C ATOM 790 CG PHE A 54 4.586 3.336 -1.462 1.00 0.00 C ATOM 791 CD1 PHE A 54 3.678 4.172 -0.832 1.00 0.00 C ATOM 792 CD2 PHE A 54 5.355 3.845 -2.495 1.00 0.00 C ATOM 793 CE1 PHE A 54 3.540 5.489 -1.226 1.00 0.00 C ATOM 794 CE2 PHE A 54 5.221 5.162 -2.893 1.00 0.00 C ATOM 795 CZ PHE A 54 4.314 5.985 -2.257 1.00 0.00 C ATOM 0 H PHE A 54 2.234 2.250 -1.099 1.00 0.00 H new ATOM 0 HA PHE A 54 4.116 0.755 -2.739 1.00 0.00 H new ATOM 0 HB2 PHE A 54 4.583 1.839 0.046 1.00 0.00 H new ATOM 0 HB3 PHE A 54 5.753 1.576 -1.232 1.00 0.00 H new ATOM 0 HD1 PHE A 54 3.072 3.790 -0.024 1.00 0.00 H new ATOM 0 HD2 PHE A 54 6.067 3.206 -2.995 1.00 0.00 H new ATOM 0 HE1 PHE A 54 2.828 6.130 -0.728 1.00 0.00 H new ATOM 0 HE2 PHE A 54 5.826 5.547 -3.701 1.00 0.00 H new ATOM 0 HZ PHE A 54 4.210 7.015 -2.565 1.00 0.00 H new ATOM 805 N PHE A 55 4.441 -1.356 -1.444 1.00 0.00 N ATOM 806 CA PHE A 55 4.464 -2.670 -0.812 1.00 0.00 C ATOM 807 C PHE A 55 5.874 -3.253 -0.822 1.00 0.00 C ATOM 808 O PHE A 55 6.663 -2.982 -1.727 1.00 0.00 O ATOM 809 CB PHE A 55 3.502 -3.620 -1.527 1.00 0.00 C ATOM 810 CG PHE A 55 3.592 -3.550 -3.025 1.00 0.00 C ATOM 811 CD1 PHE A 55 3.031 -2.489 -3.717 1.00 0.00 C ATOM 812 CD2 PHE A 55 4.240 -4.544 -3.740 1.00 0.00 C ATOM 813 CE1 PHE A 55 3.112 -2.423 -5.095 1.00 0.00 C ATOM 814 CE2 PHE A 55 4.324 -4.483 -5.119 1.00 0.00 C ATOM 815 CZ PHE A 55 3.761 -3.421 -5.797 1.00 0.00 C ATOM 0 H PHE A 55 5.043 -1.271 -2.263 1.00 0.00 H new ATOM 0 HA PHE A 55 4.145 -2.553 0.224 1.00 0.00 H new ATOM 0 HB2 PHE A 55 3.707 -4.641 -1.206 1.00 0.00 H new ATOM 0 HB3 PHE A 55 2.482 -3.389 -1.221 1.00 0.00 H new ATOM 0 HD1 PHE A 55 2.525 -1.705 -3.174 1.00 0.00 H new ATOM 0 HD2 PHE A 55 4.685 -5.376 -3.214 1.00 0.00 H new ATOM 0 HE1 PHE A 55 2.668 -1.592 -5.623 1.00 0.00 H new ATOM 0 HE2 PHE A 55 4.830 -5.266 -5.665 1.00 0.00 H new ATOM 0 HZ PHE A 55 3.827 -3.370 -6.874 1.00 0.00 H new ATOM 825 N SER A 56 6.184 -4.056 0.191 1.00 0.00 N ATOM 826 CA SER A 56 7.500 -4.675 0.302 1.00 0.00 C ATOM 827 C SER A 56 7.407 -6.026 1.004 1.00 0.00 C ATOM 828 O SER A 56 6.491 -6.267 1.791 1.00 0.00 O ATOM 829 CB SER A 56 8.456 -3.755 1.064 1.00 0.00 C ATOM 830 OG SER A 56 7.862 -3.280 2.260 1.00 0.00 O ATOM 0 H SER A 56 5.542 -4.293 0.947 1.00 0.00 H new ATOM 0 HA SER A 56 7.886 -4.835 -0.705 1.00 0.00 H new ATOM 0 HB2 SER A 56 9.374 -4.294 1.299 1.00 0.00 H new ATOM 0 HB3 SER A 56 8.734 -2.911 0.433 1.00 0.00 H new ATOM 0 HG SER A 56 8.494 -2.696 2.729 1.00 0.00 H new ATOM 836 N ARG A 57 8.362 -6.903 0.714 1.00 0.00 N ATOM 837 CA ARG A 57 8.388 -8.231 1.315 1.00 0.00 C ATOM 838 C ARG A 57 8.997 -8.182 2.714 1.00 0.00 C ATOM 839 O ARG A 57 9.882 -7.371 2.987 1.00 0.00 O ATOM 840 CB ARG A 57 9.183 -9.197 0.435 1.00 0.00 C ATOM 841 CG ARG A 57 9.177 -10.630 0.943 1.00 0.00 C ATOM 842 CD ARG A 57 9.504 -11.616 -0.167 1.00 0.00 C ATOM 843 NE ARG A 57 10.941 -11.849 -0.286 1.00 0.00 N ATOM 844 CZ ARG A 57 11.508 -12.426 -1.339 1.00 0.00 C ATOM 845 NH1 ARG A 57 10.762 -12.827 -2.360 1.00 0.00 N ATOM 846 NH2 ARG A 57 12.822 -12.603 -1.374 1.00 0.00 N ATOM 0 H ARG A 57 9.128 -6.718 0.066 1.00 0.00 H new ATOM 0 HA ARG A 57 7.361 -8.586 1.396 1.00 0.00 H new ATOM 0 HB2 ARG A 57 8.773 -9.177 -0.575 1.00 0.00 H new ATOM 0 HB3 ARG A 57 10.214 -8.849 0.367 1.00 0.00 H new ATOM 0 HG2 ARG A 57 9.903 -10.734 1.749 1.00 0.00 H new ATOM 0 HG3 ARG A 57 8.199 -10.864 1.363 1.00 0.00 H new ATOM 0 HD2 ARG A 57 8.998 -12.562 0.028 1.00 0.00 H new ATOM 0 HD3 ARG A 57 9.119 -11.237 -1.114 1.00 0.00 H new ATOM 0 HE ARG A 57 11.542 -11.552 0.482 1.00 0.00 H new ATOM 0 HH11 ARG A 57 9.751 -12.692 -2.337 1.00 0.00 H new ATOM 0 HH12 ARG A 57 11.199 -13.270 -3.168 1.00 0.00 H new ATOM 0 HH21 ARG A 57 13.399 -12.296 -0.591 1.00 0.00 H new ATOM 0 HH22 ARG A 57 13.255 -13.046 -2.184 1.00 0.00 H new ATOM 860 N GLU A 58 8.516 -9.054 3.594 1.00 0.00 N ATOM 861 CA GLU A 58 9.013 -9.109 4.964 1.00 0.00 C ATOM 862 C GLU A 58 10.529 -9.278 4.987 1.00 0.00 C ATOM 863 O GLU A 58 11.046 -10.375 4.777 1.00 0.00 O ATOM 864 CB GLU A 58 8.349 -10.258 5.725 1.00 0.00 C ATOM 865 CG GLU A 58 8.876 -10.436 7.139 1.00 0.00 C ATOM 866 CD GLU A 58 9.056 -9.117 7.865 1.00 0.00 C ATOM 867 OE1 GLU A 58 8.239 -8.200 7.638 1.00 0.00 O ATOM 868 OE2 GLU A 58 10.013 -9.002 8.659 1.00 0.00 O ATOM 0 H GLU A 58 7.783 -9.732 3.383 1.00 0.00 H new ATOM 0 HA GLU A 58 8.763 -8.167 5.452 1.00 0.00 H new ATOM 0 HB2 GLU A 58 7.274 -10.082 5.766 1.00 0.00 H new ATOM 0 HB3 GLU A 58 8.499 -11.185 5.171 1.00 0.00 H new ATOM 0 HG2 GLU A 58 8.188 -11.066 7.703 1.00 0.00 H new ATOM 0 HG3 GLU A 58 9.831 -10.960 7.103 1.00 0.00 H new ATOM 875 N GLY A 59 11.237 -8.182 5.242 1.00 0.00 N ATOM 876 CA GLY A 59 12.687 -8.229 5.287 1.00 0.00 C ATOM 877 C GLY A 59 13.329 -7.255 4.318 1.00 0.00 C ATOM 878 O GLY A 59 14.273 -6.549 4.672 1.00 0.00 O ATOM 0 H GLY A 59 10.832 -7.262 5.418 1.00 0.00 H new ATOM 0 HA2 GLY A 59 13.024 -8.005 6.299 1.00 0.00 H new ATOM 0 HA3 GLY A 59 13.022 -9.240 5.056 1.00 0.00 H new ATOM 882 N ASP A 60 12.818 -7.219 3.093 1.00 0.00 N ATOM 883 CA ASP A 60 13.348 -6.325 2.069 1.00 0.00 C ATOM 884 C ASP A 60 13.095 -4.867 2.438 1.00 0.00 C ATOM 885 O ASP A 60 12.034 -4.522 2.956 1.00 0.00 O ATOM 886 CB ASP A 60 12.716 -6.638 0.712 1.00 0.00 C ATOM 887 CG ASP A 60 13.320 -7.867 0.061 1.00 0.00 C ATOM 888 OD1 ASP A 60 14.332 -7.721 -0.656 1.00 0.00 O ATOM 889 OD2 ASP A 60 12.782 -8.974 0.270 1.00 0.00 O ATOM 0 H ASP A 60 12.037 -7.798 2.784 1.00 0.00 H new ATOM 0 HA ASP A 60 14.425 -6.483 2.004 1.00 0.00 H new ATOM 0 HB2 ASP A 60 11.644 -6.788 0.840 1.00 0.00 H new ATOM 0 HB3 ASP A 60 12.841 -5.781 0.050 1.00 0.00 H new ATOM 894 N ASN A 61 14.079 -4.015 2.168 1.00 0.00 N ATOM 895 CA ASN A 61 13.964 -2.593 2.473 1.00 0.00 C ATOM 896 C ASN A 61 13.224 -1.856 1.361 1.00 0.00 C ATOM 897 O ASN A 61 12.227 -1.178 1.608 1.00 0.00 O ATOM 898 CB ASN A 61 15.351 -1.979 2.672 1.00 0.00 C ATOM 899 CG ASN A 61 15.839 -2.103 4.102 1.00 0.00 C ATOM 900 OD1 ASN A 61 16.037 -1.102 4.791 1.00 0.00 O ATOM 901 ND2 ASN A 61 16.035 -3.335 4.556 1.00 0.00 N ATOM 0 H ASN A 61 14.964 -4.284 1.739 1.00 0.00 H new ATOM 0 HA ASN A 61 13.393 -2.490 3.395 1.00 0.00 H new ATOM 0 HB2 ASN A 61 16.061 -2.468 2.005 1.00 0.00 H new ATOM 0 HB3 ASN A 61 15.323 -0.926 2.391 1.00 0.00 H new ATOM 0 HD21 ASN A 61 16.363 -3.481 5.511 1.00 0.00 H new ATOM 0 HD22 ASN A 61 15.858 -4.136 3.950 1.00 0.00 H new ATOM 908 N ARG A 62 13.719 -1.996 0.135 1.00 0.00 N ATOM 909 CA ARG A 62 13.106 -1.343 -1.015 1.00 0.00 C ATOM 910 C ARG A 62 11.616 -1.666 -1.093 1.00 0.00 C ATOM 911 O ARG A 62 11.208 -2.808 -0.889 1.00 0.00 O ATOM 912 CB ARG A 62 13.801 -1.778 -2.306 1.00 0.00 C ATOM 913 CG ARG A 62 15.146 -1.106 -2.530 1.00 0.00 C ATOM 914 CD ARG A 62 15.836 -1.643 -3.774 1.00 0.00 C ATOM 915 NE ARG A 62 16.938 -0.784 -4.202 1.00 0.00 N ATOM 916 CZ ARG A 62 16.769 0.440 -4.690 1.00 0.00 C ATOM 917 NH1 ARG A 62 15.549 0.947 -4.810 1.00 0.00 N ATOM 918 NH2 ARG A 62 17.821 1.160 -5.058 1.00 0.00 N ATOM 0 H ARG A 62 14.542 -2.556 -0.087 1.00 0.00 H new ATOM 0 HA ARG A 62 13.221 -0.266 -0.894 1.00 0.00 H new ATOM 0 HB2 ARG A 62 13.943 -2.859 -2.286 1.00 0.00 H new ATOM 0 HB3 ARG A 62 13.149 -1.558 -3.151 1.00 0.00 H new ATOM 0 HG2 ARG A 62 15.005 -0.030 -2.627 1.00 0.00 H new ATOM 0 HG3 ARG A 62 15.784 -1.267 -1.661 1.00 0.00 H new ATOM 0 HD2 ARG A 62 16.214 -2.646 -3.575 1.00 0.00 H new ATOM 0 HD3 ARG A 62 15.110 -1.731 -4.582 1.00 0.00 H new ATOM 0 HE ARG A 62 17.889 -1.144 -4.122 1.00 0.00 H new ATOM 0 HH11 ARG A 62 14.738 0.397 -4.527 1.00 0.00 H new ATOM 0 HH12 ARG A 62 15.422 1.887 -5.185 1.00 0.00 H new ATOM 0 HH21 ARG A 62 18.761 0.774 -4.966 1.00 0.00 H new ATOM 0 HH22 ARG A 62 17.690 2.100 -5.433 1.00 0.00 H new ATOM 932 N GLU A 63 10.811 -0.651 -1.390 1.00 0.00 N ATOM 933 CA GLU A 63 9.367 -0.828 -1.493 1.00 0.00 C ATOM 934 C GLU A 63 8.861 -0.384 -2.863 1.00 0.00 C ATOM 935 O GLU A 63 9.000 0.780 -3.241 1.00 0.00 O ATOM 936 CB GLU A 63 8.654 -0.038 -0.393 1.00 0.00 C ATOM 937 CG GLU A 63 7.234 -0.508 -0.129 1.00 0.00 C ATOM 938 CD GLU A 63 6.530 0.325 0.924 1.00 0.00 C ATOM 939 OE1 GLU A 63 7.002 1.446 1.206 1.00 0.00 O ATOM 940 OE2 GLU A 63 5.507 -0.144 1.466 1.00 0.00 O ATOM 0 H GLU A 63 11.133 0.301 -1.563 1.00 0.00 H new ATOM 0 HA GLU A 63 9.147 -1.888 -1.369 1.00 0.00 H new ATOM 0 HB2 GLU A 63 9.230 -0.114 0.529 1.00 0.00 H new ATOM 0 HB3 GLU A 63 8.633 1.016 -0.670 1.00 0.00 H new ATOM 0 HG2 GLU A 63 6.664 -0.470 -1.057 1.00 0.00 H new ATOM 0 HG3 GLU A 63 7.254 -1.550 0.191 1.00 0.00 H new ATOM 947 N ARG A 64 8.274 -1.319 -3.602 1.00 0.00 N ATOM 948 CA ARG A 64 7.749 -1.026 -4.930 1.00 0.00 C ATOM 949 C ARG A 64 6.782 0.154 -4.884 1.00 0.00 C ATOM 950 O ARG A 64 6.490 0.688 -3.815 1.00 0.00 O ATOM 951 CB ARG A 64 7.043 -2.255 -5.505 1.00 0.00 C ATOM 952 CG ARG A 64 7.974 -3.199 -6.250 1.00 0.00 C ATOM 953 CD ARG A 64 7.229 -3.995 -7.310 1.00 0.00 C ATOM 954 NE ARG A 64 7.904 -5.251 -7.626 1.00 0.00 N ATOM 955 CZ ARG A 64 7.312 -6.268 -8.242 1.00 0.00 C ATOM 956 NH1 ARG A 64 6.040 -6.178 -8.607 1.00 0.00 N ATOM 957 NH2 ARG A 64 7.992 -7.379 -8.495 1.00 0.00 N ATOM 0 H ARG A 64 8.150 -2.286 -3.304 1.00 0.00 H new ATOM 0 HA ARG A 64 8.587 -0.762 -5.575 1.00 0.00 H new ATOM 0 HB2 ARG A 64 6.561 -2.799 -4.693 1.00 0.00 H new ATOM 0 HB3 ARG A 64 6.254 -1.927 -6.182 1.00 0.00 H new ATOM 0 HG2 ARG A 64 8.775 -2.627 -6.719 1.00 0.00 H new ATOM 0 HG3 ARG A 64 8.443 -3.883 -5.542 1.00 0.00 H new ATOM 0 HD2 ARG A 64 6.218 -4.205 -6.962 1.00 0.00 H new ATOM 0 HD3 ARG A 64 7.137 -3.395 -8.215 1.00 0.00 H new ATOM 0 HE ARG A 64 8.883 -5.353 -7.359 1.00 0.00 H new ATOM 0 HH11 ARG A 64 5.513 -5.326 -8.415 1.00 0.00 H new ATOM 0 HH12 ARG A 64 5.589 -6.961 -9.080 1.00 0.00 H new ATOM 0 HH21 ARG A 64 8.970 -7.453 -8.216 1.00 0.00 H new ATOM 0 HH22 ARG A 64 7.536 -8.159 -8.968 1.00 0.00 H new ATOM 971 N ALA A 65 6.290 0.554 -6.052 1.00 0.00 N ATOM 972 CA ALA A 65 5.356 1.669 -6.145 1.00 0.00 C ATOM 973 C ALA A 65 4.367 1.463 -7.287 1.00 0.00 C ATOM 974 O ALA A 65 4.750 1.077 -8.392 1.00 0.00 O ATOM 975 CB ALA A 65 6.112 2.977 -6.329 1.00 0.00 C ATOM 0 H ALA A 65 6.523 0.123 -6.947 1.00 0.00 H new ATOM 0 HA ALA A 65 4.791 1.716 -5.214 1.00 0.00 H new ATOM 0 HB1 ALA A 65 5.402 3.801 -6.397 1.00 0.00 H new ATOM 0 HB2 ALA A 65 6.774 3.138 -5.478 1.00 0.00 H new ATOM 0 HB3 ALA A 65 6.702 2.930 -7.244 1.00 0.00 H new ATOM 981 N LEU A 66 3.093 1.721 -7.013 1.00 0.00 N ATOM 982 CA LEU A 66 2.047 1.563 -8.018 1.00 0.00 C ATOM 983 C LEU A 66 0.938 2.590 -7.816 1.00 0.00 C ATOM 984 O LEU A 66 0.312 2.641 -6.759 1.00 0.00 O ATOM 985 CB LEU A 66 1.466 0.149 -7.960 1.00 0.00 C ATOM 986 CG LEU A 66 0.457 -0.208 -9.052 1.00 0.00 C ATOM 987 CD1 LEU A 66 1.106 -0.127 -10.425 1.00 0.00 C ATOM 988 CD2 LEU A 66 -0.119 -1.596 -8.813 1.00 0.00 C ATOM 0 H LEU A 66 2.759 2.040 -6.104 1.00 0.00 H new ATOM 0 HA LEU A 66 2.493 1.726 -8.999 1.00 0.00 H new ATOM 0 HB2 LEU A 66 2.290 -0.563 -8.008 1.00 0.00 H new ATOM 0 HB3 LEU A 66 0.985 0.015 -6.991 1.00 0.00 H new ATOM 0 HG LEU A 66 -0.360 0.513 -9.016 1.00 0.00 H new ATOM 0 HD11 LEU A 66 0.373 -0.384 -11.190 1.00 0.00 H new ATOM 0 HD12 LEU A 66 1.469 0.886 -10.597 1.00 0.00 H new ATOM 0 HD13 LEU A 66 1.942 -0.825 -10.474 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -0.835 -1.833 -9.600 1.00 0.00 H new ATOM 0 HD22 LEU A 66 0.686 -2.331 -8.822 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -0.621 -1.620 -7.846 1.00 0.00 H new ATOM 1000 N ASN A 67 0.698 3.404 -8.839 1.00 0.00 N ATOM 1001 CA ASN A 67 -0.337 4.429 -8.774 1.00 0.00 C ATOM 1002 C ASN A 67 -1.264 4.343 -9.984 1.00 0.00 C ATOM 1003 O ASN A 67 -0.916 4.785 -11.079 1.00 0.00 O ATOM 1004 CB ASN A 67 0.296 5.819 -8.700 1.00 0.00 C ATOM 1005 CG ASN A 67 0.872 6.264 -10.031 1.00 0.00 C ATOM 1006 OD1 ASN A 67 0.406 7.235 -10.628 1.00 0.00 O ATOM 1007 ND2 ASN A 67 1.890 5.554 -10.501 1.00 0.00 N ATOM 0 H ASN A 67 1.206 3.374 -9.723 1.00 0.00 H new ATOM 0 HA ASN A 67 -0.927 4.258 -7.873 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -0.453 6.540 -8.372 1.00 0.00 H new ATOM 0 HB3 ASN A 67 1.085 5.816 -7.948 1.00 0.00 H new ATOM 0 HD21 ASN A 67 2.319 5.805 -11.392 1.00 0.00 H new ATOM 0 HD22 ASN A 67 2.243 4.757 -9.972 1.00 0.00 H new ATOM 1014 N THR A 68 -2.446 3.772 -9.777 1.00 0.00 N ATOM 1015 CA THR A 68 -3.423 3.628 -10.850 1.00 0.00 C ATOM 1016 C THR A 68 -4.786 3.222 -10.301 1.00 0.00 C ATOM 1017 O THR A 68 -4.963 2.105 -9.813 1.00 0.00 O ATOM 1018 CB THR A 68 -2.968 2.584 -11.887 1.00 0.00 C ATOM 1019 OG1 THR A 68 -1.823 3.067 -12.599 1.00 0.00 O ATOM 1020 CG2 THR A 68 -4.088 2.273 -12.869 1.00 0.00 C ATOM 0 H THR A 68 -2.750 3.402 -8.877 1.00 0.00 H new ATOM 0 HA THR A 68 -3.505 4.600 -11.336 1.00 0.00 H new ATOM 0 HB THR A 68 -2.706 1.668 -11.357 1.00 0.00 H new ATOM 0 HG1 THR A 68 -1.650 3.998 -12.347 1.00 0.00 H new ATOM 0 HG21 THR A 68 -3.743 1.533 -13.592 1.00 0.00 H new ATOM 0 HG22 THR A 68 -4.948 1.878 -12.327 1.00 0.00 H new ATOM 0 HG23 THR A 68 -4.377 3.185 -13.392 1.00 0.00 H new ATOM 1028 N THR A 69 -5.748 4.135 -10.385 1.00 0.00 N ATOM 1029 CA THR A 69 -7.096 3.872 -9.896 1.00 0.00 C ATOM 1030 C THR A 69 -8.138 4.594 -10.743 1.00 0.00 C ATOM 1031 O THR A 69 -7.985 5.773 -11.060 1.00 0.00 O ATOM 1032 CB THR A 69 -7.256 4.306 -8.427 1.00 0.00 C ATOM 1033 OG1 THR A 69 -6.425 5.441 -8.158 1.00 0.00 O ATOM 1034 CG2 THR A 69 -6.890 3.169 -7.484 1.00 0.00 C ATOM 0 H THR A 69 -5.619 5.063 -10.787 1.00 0.00 H new ATOM 0 HA THR A 69 -7.254 2.796 -9.968 1.00 0.00 H new ATOM 0 HB THR A 69 -8.300 4.573 -8.262 1.00 0.00 H new ATOM 0 HG1 THR A 69 -6.279 5.518 -7.192 1.00 0.00 H new ATOM 0 HG21 THR A 69 -7.011 3.499 -6.452 1.00 0.00 H new ATOM 0 HG22 THR A 69 -7.543 2.317 -7.671 1.00 0.00 H new ATOM 0 HG23 THR A 69 -5.854 2.876 -7.652 1.00 0.00 H new ATOM 1042 N GLN A 70 -9.198 3.878 -11.105 1.00 0.00 N ATOM 1043 CA GLN A 70 -10.266 4.452 -11.916 1.00 0.00 C ATOM 1044 C GLN A 70 -10.703 5.804 -11.362 1.00 0.00 C ATOM 1045 O GLN A 70 -10.470 6.130 -10.198 1.00 0.00 O ATOM 1046 CB GLN A 70 -11.461 3.499 -11.970 1.00 0.00 C ATOM 1047 CG GLN A 70 -11.404 2.516 -13.129 1.00 0.00 C ATOM 1048 CD GLN A 70 -12.775 2.021 -13.543 1.00 0.00 C ATOM 1049 OE1 GLN A 70 -13.573 2.770 -14.108 1.00 0.00 O ATOM 1050 NE2 GLN A 70 -13.057 0.754 -13.265 1.00 0.00 N ATOM 0 H GLN A 70 -9.340 2.901 -10.850 1.00 0.00 H new ATOM 0 HA GLN A 70 -9.883 4.601 -12.925 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -11.513 2.942 -11.034 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -12.378 4.083 -12.045 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -10.922 2.994 -13.982 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -10.784 1.665 -12.848 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -12.366 0.169 -12.796 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -13.965 0.366 -13.521 1.00 0.00 H new ATOM 1059 N PRO A 71 -11.352 6.611 -12.214 1.00 0.00 N ATOM 1060 CA PRO A 71 -11.836 7.941 -11.832 1.00 0.00 C ATOM 1061 C PRO A 71 -13.003 7.874 -10.854 1.00 0.00 C ATOM 1062 O PRO A 71 -14.165 7.915 -11.255 1.00 0.00 O ATOM 1063 CB PRO A 71 -12.287 8.550 -13.162 1.00 0.00 C ATOM 1064 CG PRO A 71 -12.615 7.379 -14.023 1.00 0.00 C ATOM 1065 CD PRO A 71 -11.664 6.287 -13.617 1.00 0.00 C ATOM 0 HA PRO A 71 -11.069 8.522 -11.320 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -13.153 9.197 -13.027 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -11.500 9.159 -13.606 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -13.650 7.068 -13.881 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -12.498 7.626 -15.078 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -12.120 5.301 -13.710 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -10.768 6.283 -14.237 1.00 0.00 H new ATOM 1073 N GLY A 72 -12.685 7.772 -9.566 1.00 0.00 N ATOM 1074 CA GLY A 72 -13.719 7.702 -8.550 1.00 0.00 C ATOM 1075 C GLY A 72 -13.565 6.493 -7.649 1.00 0.00 C ATOM 1076 O GLY A 72 -13.976 6.518 -6.489 1.00 0.00 O ATOM 0 H GLY A 72 -11.730 7.737 -9.209 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -13.691 8.608 -7.945 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -14.696 7.670 -9.032 1.00 0.00 H new ATOM 1080 N SER A 73 -12.972 5.430 -8.184 1.00 0.00 N ATOM 1081 CA SER A 73 -12.769 4.203 -7.421 1.00 0.00 C ATOM 1082 C SER A 73 -11.405 4.207 -6.738 1.00 0.00 C ATOM 1083 O SER A 73 -10.385 4.496 -7.364 1.00 0.00 O ATOM 1084 CB SER A 73 -12.891 2.983 -8.336 1.00 0.00 C ATOM 1085 OG SER A 73 -14.249 2.653 -8.569 1.00 0.00 O ATOM 0 H SER A 73 -12.624 5.393 -9.142 1.00 0.00 H new ATOM 0 HA SER A 73 -13.540 4.150 -6.652 1.00 0.00 H new ATOM 0 HB2 SER A 73 -12.395 3.186 -9.285 1.00 0.00 H new ATOM 0 HB3 SER A 73 -12.380 2.133 -7.884 1.00 0.00 H new ATOM 0 HG SER A 73 -14.299 1.871 -9.158 1.00 0.00 H new ATOM 1091 N LEU A 74 -11.395 3.884 -5.449 1.00 0.00 N ATOM 1092 CA LEU A 74 -10.157 3.850 -4.679 1.00 0.00 C ATOM 1093 C LEU A 74 -9.699 2.413 -4.448 1.00 0.00 C ATOM 1094 O LEU A 74 -9.127 2.095 -3.406 1.00 0.00 O ATOM 1095 CB LEU A 74 -10.349 4.558 -3.337 1.00 0.00 C ATOM 1096 CG LEU A 74 -10.752 6.031 -3.407 1.00 0.00 C ATOM 1097 CD1 LEU A 74 -12.253 6.164 -3.617 1.00 0.00 C ATOM 1098 CD2 LEU A 74 -10.322 6.763 -2.143 1.00 0.00 C ATOM 0 H LEU A 74 -12.230 3.642 -4.916 1.00 0.00 H new ATOM 0 HA LEU A 74 -9.388 4.370 -5.250 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -11.110 4.020 -2.771 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -9.419 4.483 -2.773 1.00 0.00 H new ATOM 0 HG LEU A 74 -10.244 6.487 -4.257 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -12.522 7.219 -3.664 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -12.535 5.676 -4.550 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -12.780 5.692 -2.787 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -10.617 7.810 -2.211 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -10.801 6.306 -1.277 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -9.239 6.697 -2.035 1.00 0.00 H new ATOM 1110 N GLN A 75 -9.953 1.552 -5.427 1.00 0.00 N ATOM 1111 CA GLN A 75 -9.566 0.150 -5.331 1.00 0.00 C ATOM 1112 C GLN A 75 -8.409 -0.162 -6.275 1.00 0.00 C ATOM 1113 O GLN A 75 -8.453 0.172 -7.460 1.00 0.00 O ATOM 1114 CB GLN A 75 -10.758 -0.754 -5.651 1.00 0.00 C ATOM 1115 CG GLN A 75 -11.934 -0.567 -4.706 1.00 0.00 C ATOM 1116 CD GLN A 75 -13.097 -1.482 -5.034 1.00 0.00 C ATOM 1117 OE1 GLN A 75 -14.036 -1.087 -5.727 1.00 0.00 O ATOM 1118 NE2 GLN A 75 -13.042 -2.712 -4.537 1.00 0.00 N ATOM 0 H GLN A 75 -10.425 1.801 -6.296 1.00 0.00 H new ATOM 0 HA GLN A 75 -9.239 -0.040 -4.309 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -11.088 -0.559 -6.671 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -10.435 -1.794 -5.614 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -11.607 -0.754 -3.683 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -12.269 0.469 -4.749 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -12.245 -2.997 -3.968 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -13.797 -3.372 -4.724 1.00 0.00 H new ATOM 1127 N LEU A 76 -7.374 -0.802 -5.743 1.00 0.00 N ATOM 1128 CA LEU A 76 -6.204 -1.158 -6.538 1.00 0.00 C ATOM 1129 C LEU A 76 -5.717 -2.562 -6.191 1.00 0.00 C ATOM 1130 O LEU A 76 -5.489 -2.881 -5.024 1.00 0.00 O ATOM 1131 CB LEU A 76 -5.080 -0.145 -6.310 1.00 0.00 C ATOM 1132 CG LEU A 76 -3.730 -0.488 -6.940 1.00 0.00 C ATOM 1133 CD1 LEU A 76 -3.823 -0.450 -8.457 1.00 0.00 C ATOM 1134 CD2 LEU A 76 -2.653 0.467 -6.445 1.00 0.00 C ATOM 0 H LEU A 76 -7.321 -1.085 -4.765 1.00 0.00 H new ATOM 0 HA LEU A 76 -6.491 -1.142 -7.589 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -5.404 0.821 -6.697 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -4.937 -0.026 -5.236 1.00 0.00 H new ATOM 0 HG LEU A 76 -3.457 -1.500 -6.639 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -2.852 -0.697 -8.887 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -4.564 -1.174 -8.794 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -4.119 0.549 -8.778 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -1.699 0.208 -6.904 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -2.920 1.489 -6.715 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -2.568 0.389 -5.361 1.00 0.00 H new ATOM 1146 N THR A 77 -5.557 -3.396 -7.213 1.00 0.00 N ATOM 1147 CA THR A 77 -5.096 -4.765 -7.018 1.00 0.00 C ATOM 1148 C THR A 77 -3.589 -4.873 -7.226 1.00 0.00 C ATOM 1149 O THR A 77 -3.043 -4.316 -8.178 1.00 0.00 O ATOM 1150 CB THR A 77 -5.806 -5.740 -7.976 1.00 0.00 C ATOM 1151 OG1 THR A 77 -7.211 -5.466 -8.000 1.00 0.00 O ATOM 1152 CG2 THR A 77 -5.572 -7.182 -7.552 1.00 0.00 C ATOM 0 H THR A 77 -5.740 -3.147 -8.185 1.00 0.00 H new ATOM 0 HA THR A 77 -5.339 -5.036 -5.991 1.00 0.00 H new ATOM 0 HB THR A 77 -5.392 -5.600 -8.975 1.00 0.00 H new ATOM 0 HG1 THR A 77 -7.513 -5.389 -8.929 1.00 0.00 H new ATOM 0 HG21 THR A 77 -6.083 -7.852 -8.243 1.00 0.00 H new ATOM 0 HG22 THR A 77 -4.503 -7.396 -7.563 1.00 0.00 H new ATOM 0 HG23 THR A 77 -5.962 -7.333 -6.545 1.00 0.00 H new ATOM 1160 N VAL A 78 -2.923 -5.593 -6.330 1.00 0.00 N ATOM 1161 CA VAL A 78 -1.479 -5.776 -6.417 1.00 0.00 C ATOM 1162 C VAL A 78 -1.120 -7.249 -6.576 1.00 0.00 C ATOM 1163 O VAL A 78 -1.483 -8.080 -5.745 1.00 0.00 O ATOM 1164 CB VAL A 78 -0.766 -5.217 -5.171 1.00 0.00 C ATOM 1165 CG1 VAL A 78 0.739 -5.186 -5.385 1.00 0.00 C ATOM 1166 CG2 VAL A 78 -1.294 -3.830 -4.833 1.00 0.00 C ATOM 0 H VAL A 78 -3.360 -6.059 -5.535 1.00 0.00 H new ATOM 0 HA VAL A 78 -1.143 -5.226 -7.296 1.00 0.00 H new ATOM 0 HB VAL A 78 -0.975 -5.876 -4.328 1.00 0.00 H new ATOM 0 HG11 VAL A 78 1.225 -4.788 -4.494 1.00 0.00 H new ATOM 0 HG12 VAL A 78 1.100 -6.197 -5.575 1.00 0.00 H new ATOM 0 HG13 VAL A 78 0.972 -4.551 -6.240 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -0.780 -3.450 -3.950 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -1.117 -3.159 -5.673 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -2.364 -3.887 -4.633 1.00 0.00 H new ATOM 1176 N GLY A 79 -0.403 -7.565 -7.650 1.00 0.00 N ATOM 1177 CA GLY A 79 -0.005 -8.938 -7.899 1.00 0.00 C ATOM 1178 C GLY A 79 1.483 -9.154 -7.712 1.00 0.00 C ATOM 1179 O GLY A 79 2.158 -8.350 -7.071 1.00 0.00 O ATOM 0 H GLY A 79 -0.091 -6.894 -8.352 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -0.552 -9.599 -7.227 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -0.284 -9.215 -8.916 1.00 0.00 H new ATOM 1183 N ASN A 80 1.997 -10.244 -8.274 1.00 0.00 N ATOM 1184 CA ASN A 80 3.415 -10.565 -8.164 1.00 0.00 C ATOM 1185 C ASN A 80 3.809 -10.796 -6.708 1.00 0.00 C ATOM 1186 O ASN A 80 4.768 -10.202 -6.212 1.00 0.00 O ATOM 1187 CB ASN A 80 4.261 -9.439 -8.761 1.00 0.00 C ATOM 1188 CG ASN A 80 4.517 -9.630 -10.243 1.00 0.00 C ATOM 1189 OD1 ASN A 80 5.007 -10.676 -10.670 1.00 0.00 O ATOM 1190 ND2 ASN A 80 4.185 -8.618 -11.036 1.00 0.00 N ATOM 0 H ASN A 80 1.452 -10.919 -8.810 1.00 0.00 H new ATOM 0 HA ASN A 80 3.599 -11.483 -8.721 1.00 0.00 H new ATOM 0 HB2 ASN A 80 3.756 -8.486 -8.602 1.00 0.00 H new ATOM 0 HB3 ASN A 80 5.214 -9.386 -8.235 1.00 0.00 H new ATOM 0 HD21 ASN A 80 4.333 -8.689 -12.043 1.00 0.00 H new ATOM 0 HD22 ASN A 80 3.782 -7.770 -10.638 1.00 0.00 H new ATOM 1197 N LEU A 81 3.065 -11.663 -6.030 1.00 0.00 N ATOM 1198 CA LEU A 81 3.337 -11.974 -4.631 1.00 0.00 C ATOM 1199 C LEU A 81 3.529 -13.474 -4.434 1.00 0.00 C ATOM 1200 O LEU A 81 3.111 -14.279 -5.266 1.00 0.00 O ATOM 1201 CB LEU A 81 2.194 -11.474 -3.746 1.00 0.00 C ATOM 1202 CG LEU A 81 1.781 -10.015 -3.942 1.00 0.00 C ATOM 1203 CD1 LEU A 81 0.394 -9.770 -3.368 1.00 0.00 C ATOM 1204 CD2 LEU A 81 2.798 -9.082 -3.300 1.00 0.00 C ATOM 0 H LEU A 81 2.269 -12.163 -6.426 1.00 0.00 H new ATOM 0 HA LEU A 81 4.259 -11.468 -4.344 1.00 0.00 H new ATOM 0 HB2 LEU A 81 1.322 -12.104 -3.923 1.00 0.00 H new ATOM 0 HB3 LEU A 81 2.481 -11.612 -2.704 1.00 0.00 H new ATOM 0 HG LEU A 81 1.751 -9.807 -5.012 1.00 0.00 H new ATOM 0 HD11 LEU A 81 0.118 -8.726 -3.517 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -0.328 -10.412 -3.873 1.00 0.00 H new ATOM 0 HD13 LEU A 81 0.396 -9.996 -2.302 1.00 0.00 H new ATOM 0 HD21 LEU A 81 2.488 -8.048 -3.449 1.00 0.00 H new ATOM 0 HD22 LEU A 81 2.861 -9.292 -2.232 1.00 0.00 H new ATOM 0 HD23 LEU A 81 3.775 -9.238 -3.758 1.00 0.00 H new ATOM 1216 N LYS A 82 4.164 -13.843 -3.327 1.00 0.00 N ATOM 1217 CA LYS A 82 4.410 -15.247 -3.017 1.00 0.00 C ATOM 1218 C LYS A 82 3.574 -15.695 -1.823 1.00 0.00 C ATOM 1219 O LYS A 82 3.378 -14.955 -0.859 1.00 0.00 O ATOM 1220 CB LYS A 82 5.895 -15.474 -2.728 1.00 0.00 C ATOM 1221 CG LYS A 82 6.218 -16.891 -2.285 1.00 0.00 C ATOM 1222 CD LYS A 82 7.473 -16.935 -1.429 1.00 0.00 C ATOM 1223 CE LYS A 82 7.558 -18.227 -0.631 1.00 0.00 C ATOM 1224 NZ LYS A 82 8.197 -19.321 -1.414 1.00 0.00 N ATOM 0 H LYS A 82 4.518 -13.189 -2.629 1.00 0.00 H new ATOM 0 HA LYS A 82 4.120 -15.841 -3.884 1.00 0.00 H new ATOM 0 HB2 LYS A 82 6.471 -15.242 -3.624 1.00 0.00 H new ATOM 0 HB3 LYS A 82 6.217 -14.778 -1.953 1.00 0.00 H new ATOM 0 HG2 LYS A 82 5.378 -17.298 -1.722 1.00 0.00 H new ATOM 0 HG3 LYS A 82 6.352 -17.526 -3.161 1.00 0.00 H new ATOM 0 HD2 LYS A 82 8.353 -16.841 -2.066 1.00 0.00 H new ATOM 0 HD3 LYS A 82 7.480 -16.084 -0.748 1.00 0.00 H new ATOM 0 HE2 LYS A 82 8.128 -18.053 0.282 1.00 0.00 H new ATOM 0 HE3 LYS A 82 6.557 -18.534 -0.329 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 8.236 -20.185 -0.836 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 7.640 -19.504 -2.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 9.162 -19.039 -1.681 1.00 0.00 H new ATOM 1238 N PRO A 83 3.069 -16.936 -1.885 1.00 0.00 N ATOM 1239 CA PRO A 83 2.248 -17.511 -0.815 1.00 0.00 C ATOM 1240 C PRO A 83 3.055 -17.797 0.446 1.00 0.00 C ATOM 1241 O PRO A 83 4.248 -18.092 0.376 1.00 0.00 O ATOM 1242 CB PRO A 83 1.731 -18.816 -1.427 1.00 0.00 C ATOM 1243 CG PRO A 83 2.743 -19.176 -2.459 1.00 0.00 C ATOM 1244 CD PRO A 83 3.262 -17.874 -3.003 1.00 0.00 C ATOM 0 HA PRO A 83 1.458 -16.830 -0.498 1.00 0.00 H new ATOM 0 HB2 PRO A 83 1.639 -19.598 -0.673 1.00 0.00 H new ATOM 0 HB3 PRO A 83 0.744 -18.682 -1.870 1.00 0.00 H new ATOM 0 HG2 PRO A 83 3.550 -19.767 -2.025 1.00 0.00 H new ATOM 0 HG3 PRO A 83 2.296 -19.779 -3.250 1.00 0.00 H new ATOM 0 HD2 PRO A 83 4.311 -17.948 -3.289 1.00 0.00 H new ATOM 0 HD3 PRO A 83 2.711 -17.561 -3.890 1.00 0.00 H new ATOM 1252 N GLU A 84 2.398 -17.707 1.598 1.00 0.00 N ATOM 1253 CA GLU A 84 3.057 -17.956 2.874 1.00 0.00 C ATOM 1254 C GLU A 84 4.160 -16.932 3.126 1.00 0.00 C ATOM 1255 O GLU A 84 5.312 -17.292 3.365 1.00 0.00 O ATOM 1256 CB GLU A 84 3.642 -19.370 2.904 1.00 0.00 C ATOM 1257 CG GLU A 84 2.606 -20.462 2.695 1.00 0.00 C ATOM 1258 CD GLU A 84 3.223 -21.776 2.258 1.00 0.00 C ATOM 1259 OE1 GLU A 84 3.612 -22.571 3.139 1.00 0.00 O ATOM 1260 OE2 GLU A 84 3.319 -22.009 1.035 1.00 0.00 O ATOM 0 H GLU A 84 1.410 -17.464 1.674 1.00 0.00 H new ATOM 0 HA GLU A 84 2.311 -17.862 3.663 1.00 0.00 H new ATOM 0 HB2 GLU A 84 4.407 -19.454 2.132 1.00 0.00 H new ATOM 0 HB3 GLU A 84 4.137 -19.529 3.862 1.00 0.00 H new ATOM 0 HG2 GLU A 84 2.053 -20.615 3.622 1.00 0.00 H new ATOM 0 HG3 GLU A 84 1.886 -20.136 1.944 1.00 0.00 H new ATOM 1267 N ALA A 85 3.797 -15.655 3.071 1.00 0.00 N ATOM 1268 CA ALA A 85 4.754 -14.579 3.294 1.00 0.00 C ATOM 1269 C ALA A 85 4.055 -13.316 3.785 1.00 0.00 C ATOM 1270 O ALA A 85 3.006 -12.935 3.267 1.00 0.00 O ATOM 1271 CB ALA A 85 5.533 -14.292 2.019 1.00 0.00 C ATOM 0 H ALA A 85 2.847 -15.340 2.874 1.00 0.00 H new ATOM 0 HA ALA A 85 5.451 -14.901 4.067 1.00 0.00 H new ATOM 0 HB1 ALA A 85 6.244 -13.486 2.201 1.00 0.00 H new ATOM 0 HB2 ALA A 85 6.071 -15.189 1.712 1.00 0.00 H new ATOM 0 HB3 ALA A 85 4.842 -13.995 1.230 1.00 0.00 H new ATOM 1277 N MET A 86 4.643 -12.671 4.787 1.00 0.00 N ATOM 1278 CA MET A 86 4.076 -11.450 5.347 1.00 0.00 C ATOM 1279 C MET A 86 4.483 -10.233 4.523 1.00 0.00 C ATOM 1280 O MET A 86 5.663 -10.038 4.228 1.00 0.00 O ATOM 1281 CB MET A 86 4.527 -11.271 6.798 1.00 0.00 C ATOM 1282 CG MET A 86 3.536 -10.495 7.651 1.00 0.00 C ATOM 1283 SD MET A 86 2.197 -11.529 8.275 1.00 0.00 S ATOM 1284 CE MET A 86 0.770 -10.553 7.808 1.00 0.00 C ATOM 0 H MET A 86 5.512 -12.973 5.228 1.00 0.00 H new ATOM 0 HA MET A 86 2.990 -11.539 5.320 1.00 0.00 H new ATOM 0 HB2 MET A 86 4.687 -12.253 7.244 1.00 0.00 H new ATOM 0 HB3 MET A 86 5.487 -10.755 6.811 1.00 0.00 H new ATOM 0 HG2 MET A 86 4.062 -10.043 8.492 1.00 0.00 H new ATOM 0 HG3 MET A 86 3.116 -9.680 7.062 1.00 0.00 H new ATOM 0 HE1 MET A 86 -0.090 -11.208 7.672 1.00 0.00 H new ATOM 0 HE2 MET A 86 0.553 -9.827 8.592 1.00 0.00 H new ATOM 0 HE3 MET A 86 0.977 -10.029 6.875 1.00 0.00 H new ATOM 1294 N TYR A 87 3.501 -9.418 4.153 1.00 0.00 N ATOM 1295 CA TYR A 87 3.758 -8.222 3.360 1.00 0.00 C ATOM 1296 C TYR A 87 3.140 -6.991 4.015 1.00 0.00 C ATOM 1297 O TYR A 87 2.253 -7.102 4.863 1.00 0.00 O ATOM 1298 CB TYR A 87 3.203 -8.394 1.945 1.00 0.00 C ATOM 1299 CG TYR A 87 4.002 -9.354 1.093 1.00 0.00 C ATOM 1300 CD1 TYR A 87 5.095 -8.915 0.356 1.00 0.00 C ATOM 1301 CD2 TYR A 87 3.665 -10.700 1.026 1.00 0.00 C ATOM 1302 CE1 TYR A 87 5.827 -9.788 -0.424 1.00 0.00 C ATOM 1303 CE2 TYR A 87 4.393 -11.581 0.250 1.00 0.00 C ATOM 1304 CZ TYR A 87 5.473 -11.120 -0.474 1.00 0.00 C ATOM 1305 OH TYR A 87 6.201 -11.993 -1.249 1.00 0.00 O ATOM 0 H TYR A 87 2.520 -9.564 4.390 1.00 0.00 H new ATOM 0 HA TYR A 87 4.837 -8.078 3.305 1.00 0.00 H new ATOM 0 HB2 TYR A 87 2.174 -8.748 2.008 1.00 0.00 H new ATOM 0 HB3 TYR A 87 3.176 -7.421 1.454 1.00 0.00 H new ATOM 0 HD1 TYR A 87 5.377 -7.873 0.394 1.00 0.00 H new ATOM 0 HD2 TYR A 87 2.819 -11.064 1.590 1.00 0.00 H new ATOM 0 HE1 TYR A 87 6.673 -9.430 -0.992 1.00 0.00 H new ATOM 0 HE2 TYR A 87 4.118 -12.625 0.210 1.00 0.00 H new ATOM 0 HH TYR A 87 6.173 -12.887 -0.849 1.00 0.00 H new ATOM 1315 N THR A 88 3.614 -5.815 3.616 1.00 0.00 N ATOM 1316 CA THR A 88 3.110 -4.562 4.163 1.00 0.00 C ATOM 1317 C THR A 88 2.638 -3.628 3.055 1.00 0.00 C ATOM 1318 O THR A 88 3.337 -3.424 2.062 1.00 0.00 O ATOM 1319 CB THR A 88 4.183 -3.843 5.002 1.00 0.00 C ATOM 1320 OG1 THR A 88 4.833 -4.777 5.872 1.00 0.00 O ATOM 1321 CG2 THR A 88 3.567 -2.721 5.824 1.00 0.00 C ATOM 0 H THR A 88 4.347 -5.704 2.915 1.00 0.00 H new ATOM 0 HA THR A 88 2.266 -4.815 4.805 1.00 0.00 H new ATOM 0 HB THR A 88 4.916 -3.412 4.320 1.00 0.00 H new ATOM 0 HG1 THR A 88 5.515 -4.312 6.400 1.00 0.00 H new ATOM 0 HG21 THR A 88 4.345 -2.228 6.408 1.00 0.00 H new ATOM 0 HG22 THR A 88 3.100 -1.996 5.158 1.00 0.00 H new ATOM 0 HG23 THR A 88 2.815 -3.133 6.496 1.00 0.00 H new ATOM 1329 N PHE A 89 1.449 -3.062 3.230 1.00 0.00 N ATOM 1330 CA PHE A 89 0.883 -2.149 2.243 1.00 0.00 C ATOM 1331 C PHE A 89 0.511 -0.816 2.886 1.00 0.00 C ATOM 1332 O PHE A 89 0.212 -0.752 4.078 1.00 0.00 O ATOM 1333 CB PHE A 89 -0.350 -2.774 1.588 1.00 0.00 C ATOM 1334 CG PHE A 89 -0.061 -4.063 0.873 1.00 0.00 C ATOM 1335 CD1 PHE A 89 0.017 -5.256 1.574 1.00 0.00 C ATOM 1336 CD2 PHE A 89 0.132 -4.082 -0.499 1.00 0.00 C ATOM 1337 CE1 PHE A 89 0.284 -6.444 0.919 1.00 0.00 C ATOM 1338 CE2 PHE A 89 0.399 -5.267 -1.159 1.00 0.00 C ATOM 1339 CZ PHE A 89 0.474 -6.449 -0.450 1.00 0.00 C ATOM 0 H PHE A 89 0.858 -3.219 4.046 1.00 0.00 H new ATOM 0 HA PHE A 89 1.638 -1.965 1.479 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -1.106 -2.954 2.353 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -0.775 -2.063 0.880 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -0.132 -5.258 2.644 1.00 0.00 H new ATOM 0 HD2 PHE A 89 0.073 -3.161 -1.059 1.00 0.00 H new ATOM 0 HE1 PHE A 89 0.344 -7.367 1.476 1.00 0.00 H new ATOM 0 HE2 PHE A 89 0.549 -5.268 -2.229 1.00 0.00 H new ATOM 0 HZ PHE A 89 0.681 -7.376 -0.964 1.00 0.00 H new ATOM 1349 N ARG A 90 0.533 0.245 2.087 1.00 0.00 N ATOM 1350 CA ARG A 90 0.200 1.577 2.577 1.00 0.00 C ATOM 1351 C ARG A 90 -0.345 2.451 1.450 1.00 0.00 C ATOM 1352 O ARG A 90 0.258 2.551 0.382 1.00 0.00 O ATOM 1353 CB ARG A 90 1.432 2.238 3.199 1.00 0.00 C ATOM 1354 CG ARG A 90 2.411 2.787 2.174 1.00 0.00 C ATOM 1355 CD ARG A 90 3.698 3.261 2.832 1.00 0.00 C ATOM 1356 NE ARG A 90 4.535 2.145 3.263 1.00 0.00 N ATOM 1357 CZ ARG A 90 5.635 2.291 3.994 1.00 0.00 C ATOM 1358 NH1 ARG A 90 6.027 3.499 4.373 1.00 0.00 N ATOM 1359 NH2 ARG A 90 6.344 1.226 4.347 1.00 0.00 N ATOM 0 H ARG A 90 0.778 0.208 1.098 1.00 0.00 H new ATOM 0 HA ARG A 90 -0.572 1.473 3.339 1.00 0.00 H new ATOM 0 HB2 ARG A 90 1.108 3.049 3.851 1.00 0.00 H new ATOM 0 HB3 ARG A 90 1.946 1.510 3.827 1.00 0.00 H new ATOM 0 HG2 ARG A 90 2.640 2.016 1.438 1.00 0.00 H new ATOM 0 HG3 ARG A 90 1.950 3.615 1.636 1.00 0.00 H new ATOM 0 HD2 ARG A 90 4.255 3.883 2.132 1.00 0.00 H new ATOM 0 HD3 ARG A 90 3.457 3.886 3.692 1.00 0.00 H new ATOM 0 HE ARG A 90 4.260 1.202 2.988 1.00 0.00 H new ATOM 0 HH11 ARG A 90 5.484 4.319 4.104 1.00 0.00 H new ATOM 0 HH12 ARG A 90 6.872 3.608 4.934 1.00 0.00 H new ATOM 0 HH21 ARG A 90 6.045 0.295 4.057 1.00 0.00 H new ATOM 0 HH22 ARG A 90 7.188 1.339 4.908 1.00 0.00 H new ATOM 1373 N VAL A 91 -1.489 3.081 1.697 1.00 0.00 N ATOM 1374 CA VAL A 91 -2.115 3.946 0.705 1.00 0.00 C ATOM 1375 C VAL A 91 -1.845 5.415 1.008 1.00 0.00 C ATOM 1376 O VAL A 91 -1.773 5.818 2.170 1.00 0.00 O ATOM 1377 CB VAL A 91 -3.637 3.717 0.641 1.00 0.00 C ATOM 1378 CG1 VAL A 91 -4.273 4.642 -0.386 1.00 0.00 C ATOM 1379 CG2 VAL A 91 -3.943 2.262 0.322 1.00 0.00 C ATOM 0 H VAL A 91 -2.001 3.008 2.576 1.00 0.00 H new ATOM 0 HA VAL A 91 -1.676 3.691 -0.260 1.00 0.00 H new ATOM 0 HB VAL A 91 -4.064 3.949 1.617 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -5.348 4.466 -0.417 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -4.083 5.679 -0.109 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -3.844 4.445 -1.368 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -5.023 2.118 0.281 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -3.505 2.001 -0.641 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -3.521 1.623 1.098 1.00 0.00 H new ATOM 1389 N VAL A 92 -1.696 6.214 -0.044 1.00 0.00 N ATOM 1390 CA VAL A 92 -1.436 7.640 0.109 1.00 0.00 C ATOM 1391 C VAL A 92 -2.195 8.453 -0.933 1.00 0.00 C ATOM 1392 O VAL A 92 -2.397 8.002 -2.061 1.00 0.00 O ATOM 1393 CB VAL A 92 0.068 7.952 -0.009 1.00 0.00 C ATOM 1394 CG1 VAL A 92 0.346 9.395 0.383 1.00 0.00 C ATOM 1395 CG2 VAL A 92 0.879 6.992 0.848 1.00 0.00 C ATOM 0 H VAL A 92 -1.751 5.897 -1.012 1.00 0.00 H new ATOM 0 HA VAL A 92 -1.781 7.919 1.105 1.00 0.00 H new ATOM 0 HB VAL A 92 0.369 7.819 -1.048 1.00 0.00 H new ATOM 0 HG11 VAL A 92 1.413 9.597 0.294 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -0.207 10.064 -0.277 1.00 0.00 H new ATOM 0 HG13 VAL A 92 0.031 9.559 1.413 1.00 0.00 H new ATOM 0 HG21 VAL A 92 1.939 7.226 0.753 1.00 0.00 H new ATOM 0 HG22 VAL A 92 0.577 7.092 1.891 1.00 0.00 H new ATOM 0 HG23 VAL A 92 0.702 5.969 0.515 1.00 0.00 H new ATOM 1405 N ALA A 93 -2.615 9.654 -0.549 1.00 0.00 N ATOM 1406 CA ALA A 93 -3.350 10.531 -1.451 1.00 0.00 C ATOM 1407 C ALA A 93 -2.429 11.574 -2.076 1.00 0.00 C ATOM 1408 O ALA A 93 -1.766 12.333 -1.369 1.00 0.00 O ATOM 1409 CB ALA A 93 -4.494 11.210 -0.712 1.00 0.00 C ATOM 0 H ALA A 93 -2.458 10.042 0.381 1.00 0.00 H new ATOM 0 HA ALA A 93 -3.762 9.921 -2.254 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -5.034 11.862 -1.398 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -5.174 10.453 -0.320 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -4.095 11.801 0.112 1.00 0.00 H new ATOM 1415 N TYR A 94 -2.391 11.604 -3.403 1.00 0.00 N ATOM 1416 CA TYR A 94 -1.548 12.551 -4.123 1.00 0.00 C ATOM 1417 C TYR A 94 -2.395 13.517 -4.947 1.00 0.00 C ATOM 1418 O TYR A 94 -2.890 13.168 -6.017 1.00 0.00 O ATOM 1419 CB TYR A 94 -0.571 11.807 -5.034 1.00 0.00 C ATOM 1420 CG TYR A 94 0.684 11.346 -4.328 1.00 0.00 C ATOM 1421 CD1 TYR A 94 1.722 12.231 -4.064 1.00 0.00 C ATOM 1422 CD2 TYR A 94 0.831 10.025 -3.923 1.00 0.00 C ATOM 1423 CE1 TYR A 94 2.870 11.814 -3.420 1.00 0.00 C ATOM 1424 CE2 TYR A 94 1.976 9.599 -3.277 1.00 0.00 C ATOM 1425 CZ TYR A 94 2.993 10.497 -3.028 1.00 0.00 C ATOM 1426 OH TYR A 94 4.135 10.078 -2.385 1.00 0.00 O ATOM 0 H TYR A 94 -2.934 10.983 -4.003 1.00 0.00 H new ATOM 0 HA TYR A 94 -0.983 13.126 -3.389 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -1.075 10.941 -5.463 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -0.293 12.458 -5.863 1.00 0.00 H new ATOM 0 HD1 TYR A 94 1.629 13.263 -4.368 1.00 0.00 H new ATOM 0 HD2 TYR A 94 0.037 9.319 -4.116 1.00 0.00 H new ATOM 0 HE1 TYR A 94 3.668 12.515 -3.224 1.00 0.00 H new ATOM 0 HE2 TYR A 94 2.074 8.569 -2.969 1.00 0.00 H new ATOM 0 HH TYR A 94 4.061 9.123 -2.176 1.00 0.00 H new ATOM 1436 N ASN A 95 -2.556 14.734 -4.438 1.00 0.00 N ATOM 1437 CA ASN A 95 -3.342 15.752 -5.126 1.00 0.00 C ATOM 1438 C ASN A 95 -2.450 16.888 -5.618 1.00 0.00 C ATOM 1439 O ASN A 95 -1.269 16.954 -5.278 1.00 0.00 O ATOM 1440 CB ASN A 95 -4.424 16.305 -4.196 1.00 0.00 C ATOM 1441 CG ASN A 95 -3.854 17.204 -3.116 1.00 0.00 C ATOM 1442 OD1 ASN A 95 -2.673 17.116 -2.779 1.00 0.00 O ATOM 1443 ND2 ASN A 95 -4.693 18.075 -2.568 1.00 0.00 N ATOM 0 H ASN A 95 -2.153 15.039 -3.552 1.00 0.00 H new ATOM 0 HA ASN A 95 -3.817 15.287 -5.990 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -5.153 16.864 -4.783 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -4.958 15.476 -3.731 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -4.367 18.706 -1.836 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -5.664 18.113 -2.879 1.00 0.00 H new ATOM 1450 N GLU A 96 -3.024 17.779 -6.421 1.00 0.00 N ATOM 1451 CA GLU A 96 -2.280 18.911 -6.960 1.00 0.00 C ATOM 1452 C GLU A 96 -1.260 19.424 -5.947 1.00 0.00 C ATOM 1453 O GLU A 96 -0.066 19.498 -6.236 1.00 0.00 O ATOM 1454 CB GLU A 96 -3.238 20.039 -7.352 1.00 0.00 C ATOM 1455 CG GLU A 96 -4.095 19.715 -8.563 1.00 0.00 C ATOM 1456 CD GLU A 96 -4.578 20.958 -9.285 1.00 0.00 C ATOM 1457 OE1 GLU A 96 -3.749 21.625 -9.940 1.00 0.00 O ATOM 1458 OE2 GLU A 96 -5.786 21.265 -9.195 1.00 0.00 O ATOM 0 H GLU A 96 -4.001 17.739 -6.712 1.00 0.00 H new ATOM 0 HA GLU A 96 -1.746 18.572 -7.848 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -3.888 20.262 -6.506 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -2.660 20.940 -7.557 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -3.522 19.097 -9.254 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -4.956 19.125 -8.247 1.00 0.00 H new ATOM 1465 N TRP A 97 -1.740 19.778 -4.761 1.00 0.00 N ATOM 1466 CA TRP A 97 -0.871 20.285 -3.705 1.00 0.00 C ATOM 1467 C TRP A 97 0.283 19.324 -3.442 1.00 0.00 C ATOM 1468 O TRP A 97 1.448 19.675 -3.621 1.00 0.00 O ATOM 1469 CB TRP A 97 -1.671 20.505 -2.420 1.00 0.00 C ATOM 1470 CG TRP A 97 -2.511 21.745 -2.448 1.00 0.00 C ATOM 1471 CD1 TRP A 97 -3.848 21.836 -2.181 1.00 0.00 C ATOM 1472 CD2 TRP A 97 -2.072 23.071 -2.762 1.00 0.00 C ATOM 1473 NE1 TRP A 97 -4.266 23.138 -2.311 1.00 0.00 N ATOM 1474 CE2 TRP A 97 -3.195 23.916 -2.666 1.00 0.00 C ATOM 1475 CE3 TRP A 97 -0.839 23.627 -3.114 1.00 0.00 C ATOM 1476 CZ2 TRP A 97 -3.120 25.285 -2.910 1.00 0.00 C ATOM 1477 CZ3 TRP A 97 -0.766 24.986 -3.356 1.00 0.00 C ATOM 1478 CH2 TRP A 97 -1.900 25.802 -3.252 1.00 0.00 C ATOM 0 H TRP A 97 -2.726 19.724 -4.506 1.00 0.00 H new ATOM 0 HA TRP A 97 -0.457 21.238 -4.035 1.00 0.00 H new ATOM 0 HB2 TRP A 97 -2.315 19.642 -2.249 1.00 0.00 H new ATOM 0 HB3 TRP A 97 -0.982 20.560 -1.577 1.00 0.00 H new ATOM 0 HD1 TRP A 97 -4.483 21.006 -1.908 1.00 0.00 H new ATOM 0 HE1 TRP A 97 -5.219 23.472 -2.167 1.00 0.00 H new ATOM 0 HE3 TRP A 97 0.041 23.006 -3.195 1.00 0.00 H new ATOM 0 HZ2 TRP A 97 -3.993 25.916 -2.832 1.00 0.00 H new ATOM 0 HZ3 TRP A 97 0.181 25.426 -3.630 1.00 0.00 H new ATOM 0 HH2 TRP A 97 -1.810 26.861 -3.446 1.00 0.00 H new ATOM 1489 N GLY A 98 -0.049 18.109 -3.017 1.00 0.00 N ATOM 1490 CA GLY A 98 0.972 17.116 -2.736 1.00 0.00 C ATOM 1491 C GLY A 98 0.465 15.997 -1.848 1.00 0.00 C ATOM 1492 O GLY A 98 -0.738 15.842 -1.635 1.00 0.00 O ATOM 0 H GLY A 98 -1.007 17.794 -2.862 1.00 0.00 H new ATOM 0 HA2 GLY A 98 1.333 16.695 -3.674 1.00 0.00 H new ATOM 0 HA3 GLY A 98 1.822 17.600 -2.255 1.00 0.00 H new ATOM 1496 N PRO A 99 1.396 15.192 -1.315 1.00 0.00 N ATOM 1497 CA PRO A 99 1.060 14.067 -0.437 1.00 0.00 C ATOM 1498 C PRO A 99 0.538 14.526 0.920 1.00 0.00 C ATOM 1499 O PRO A 99 1.248 15.186 1.678 1.00 0.00 O ATOM 1500 CB PRO A 99 2.393 13.332 -0.277 1.00 0.00 C ATOM 1501 CG PRO A 99 3.431 14.374 -0.512 1.00 0.00 C ATOM 1502 CD PRO A 99 2.847 15.318 -1.526 1.00 0.00 C ATOM 0 HA PRO A 99 0.264 13.449 -0.853 1.00 0.00 H new ATOM 0 HB2 PRO A 99 2.488 12.896 0.718 1.00 0.00 H new ATOM 0 HB3 PRO A 99 2.483 12.515 -0.993 1.00 0.00 H new ATOM 0 HG2 PRO A 99 3.676 14.897 0.413 1.00 0.00 H new ATOM 0 HG3 PRO A 99 4.355 13.928 -0.880 1.00 0.00 H new ATOM 0 HD2 PRO A 99 3.189 16.341 -1.366 1.00 0.00 H new ATOM 0 HD3 PRO A 99 3.131 15.042 -2.542 1.00 0.00 H new ATOM 1510 N GLY A 100 -0.708 14.172 1.221 1.00 0.00 N ATOM 1511 CA GLY A 100 -1.303 14.557 2.488 1.00 0.00 C ATOM 1512 C GLY A 100 -0.960 13.592 3.606 1.00 0.00 C ATOM 1513 O GLY A 100 0.172 13.119 3.700 1.00 0.00 O ATOM 0 H GLY A 100 -1.316 13.626 0.610 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -0.962 15.557 2.757 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -2.386 14.609 2.377 1.00 0.00 H new ATOM 1517 N GLU A 101 -1.939 13.302 4.456 1.00 0.00 N ATOM 1518 CA GLU A 101 -1.733 12.390 5.575 1.00 0.00 C ATOM 1519 C GLU A 101 -1.679 10.943 5.094 1.00 0.00 C ATOM 1520 O GLU A 101 -2.587 10.470 4.410 1.00 0.00 O ATOM 1521 CB GLU A 101 -2.850 12.554 6.608 1.00 0.00 C ATOM 1522 CG GLU A 101 -2.638 13.724 7.553 1.00 0.00 C ATOM 1523 CD GLU A 101 -3.936 14.243 8.140 1.00 0.00 C ATOM 1524 OE1 GLU A 101 -4.992 14.055 7.501 1.00 0.00 O ATOM 1525 OE2 GLU A 101 -3.896 14.836 9.238 1.00 0.00 O ATOM 0 H GLU A 101 -2.882 13.685 4.392 1.00 0.00 H new ATOM 0 HA GLU A 101 -0.779 12.636 6.040 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -3.798 12.686 6.087 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -2.931 11.637 7.191 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -1.975 13.417 8.362 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -2.137 14.531 7.019 1.00 0.00 H new ATOM 1532 N SER A 102 -0.607 10.245 5.456 1.00 0.00 N ATOM 1533 CA SER A 102 -0.432 8.853 5.059 1.00 0.00 C ATOM 1534 C SER A 102 -1.192 7.920 5.996 1.00 0.00 C ATOM 1535 O SER A 102 -1.264 8.157 7.202 1.00 0.00 O ATOM 1536 CB SER A 102 1.054 8.486 5.050 1.00 0.00 C ATOM 1537 OG SER A 102 1.602 8.548 6.356 1.00 0.00 O ATOM 0 H SER A 102 0.153 10.621 6.023 1.00 0.00 H new ATOM 0 HA SER A 102 -0.835 8.735 4.053 1.00 0.00 H new ATOM 0 HB2 SER A 102 1.181 7.482 4.646 1.00 0.00 H new ATOM 0 HB3 SER A 102 1.596 9.165 4.392 1.00 0.00 H new ATOM 0 HG SER A 102 2.552 8.308 6.324 1.00 0.00 H new ATOM 1543 N SER A 103 -1.757 6.857 5.433 1.00 0.00 N ATOM 1544 CA SER A 103 -2.515 5.889 6.217 1.00 0.00 C ATOM 1545 C SER A 103 -1.581 4.971 6.999 1.00 0.00 C ATOM 1546 O SER A 103 -0.373 4.950 6.761 1.00 0.00 O ATOM 1547 CB SER A 103 -3.418 5.057 5.304 1.00 0.00 C ATOM 1548 OG SER A 103 -2.676 4.059 4.625 1.00 0.00 O ATOM 0 H SER A 103 -1.704 6.644 4.437 1.00 0.00 H new ATOM 0 HA SER A 103 -3.134 6.439 6.926 1.00 0.00 H new ATOM 0 HB2 SER A 103 -4.206 4.590 5.895 1.00 0.00 H new ATOM 0 HB3 SER A 103 -3.906 5.708 4.579 1.00 0.00 H new ATOM 0 HG SER A 103 -2.211 4.460 3.861 1.00 0.00 H new ATOM 1554 N GLN A 104 -2.149 4.215 7.933 1.00 0.00 N ATOM 1555 CA GLN A 104 -1.366 3.296 8.751 1.00 0.00 C ATOM 1556 C GLN A 104 -0.996 2.045 7.962 1.00 0.00 C ATOM 1557 O GLN A 104 -1.799 1.498 7.206 1.00 0.00 O ATOM 1558 CB GLN A 104 -2.147 2.908 10.008 1.00 0.00 C ATOM 1559 CG GLN A 104 -2.240 4.025 11.036 1.00 0.00 C ATOM 1560 CD GLN A 104 -2.531 3.510 12.432 1.00 0.00 C ATOM 1561 OE1 GLN A 104 -1.645 2.990 13.111 1.00 0.00 O ATOM 1562 NE2 GLN A 104 -3.777 3.653 12.868 1.00 0.00 N ATOM 0 H GLN A 104 -3.147 4.221 8.142 1.00 0.00 H new ATOM 0 HA GLN A 104 -0.447 3.803 9.044 1.00 0.00 H new ATOM 0 HB2 GLN A 104 -3.154 2.605 9.721 1.00 0.00 H new ATOM 0 HB3 GLN A 104 -1.672 2.041 10.468 1.00 0.00 H new ATOM 0 HG2 GLN A 104 -1.304 4.583 11.046 1.00 0.00 H new ATOM 0 HG3 GLN A 104 -3.023 4.722 10.739 1.00 0.00 H new ATOM 0 HE21 GLN A 104 -4.479 4.090 12.271 1.00 0.00 H new ATOM 0 HE22 GLN A 104 -4.032 3.326 13.800 1.00 0.00 H new ATOM 1571 N PRO A 105 0.250 1.580 8.140 1.00 0.00 N ATOM 1572 CA PRO A 105 0.755 0.388 7.452 1.00 0.00 C ATOM 1573 C PRO A 105 0.099 -0.894 7.956 1.00 0.00 C ATOM 1574 O PRO A 105 0.179 -1.218 9.142 1.00 0.00 O ATOM 1575 CB PRO A 105 2.248 0.391 7.787 1.00 0.00 C ATOM 1576 CG PRO A 105 2.347 1.143 9.070 1.00 0.00 C ATOM 1577 CD PRO A 105 1.260 2.182 9.026 1.00 0.00 C ATOM 0 HA PRO A 105 0.544 0.414 6.383 1.00 0.00 H new ATOM 0 HB2 PRO A 105 2.632 -0.624 7.892 1.00 0.00 H new ATOM 0 HB3 PRO A 105 2.829 0.872 7.000 1.00 0.00 H new ATOM 0 HG2 PRO A 105 2.217 0.478 9.923 1.00 0.00 H new ATOM 0 HG3 PRO A 105 3.327 1.608 9.175 1.00 0.00 H new ATOM 0 HD2 PRO A 105 0.856 2.383 10.018 1.00 0.00 H new ATOM 0 HD3 PRO A 105 1.626 3.130 8.633 1.00 0.00 H new ATOM 1585 N ILE A 106 -0.548 -1.618 7.049 1.00 0.00 N ATOM 1586 CA ILE A 106 -1.215 -2.864 7.403 1.00 0.00 C ATOM 1587 C ILE A 106 -0.367 -4.071 7.016 1.00 0.00 C ATOM 1588 O ILE A 106 0.431 -4.009 6.080 1.00 0.00 O ATOM 1589 CB ILE A 106 -2.592 -2.978 6.722 1.00 0.00 C ATOM 1590 CG1 ILE A 106 -2.424 -3.183 5.215 1.00 0.00 C ATOM 1591 CG2 ILE A 106 -3.427 -1.738 7.004 1.00 0.00 C ATOM 1592 CD1 ILE A 106 -3.671 -3.702 4.533 1.00 0.00 C ATOM 0 H ILE A 106 -0.624 -1.363 6.064 1.00 0.00 H new ATOM 0 HA ILE A 106 -1.353 -2.852 8.484 1.00 0.00 H new ATOM 0 HB ILE A 106 -3.113 -3.843 7.132 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -2.137 -2.236 4.758 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -1.606 -3.882 5.041 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -4.397 -1.834 6.516 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -3.571 -1.633 8.079 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -2.913 -0.858 6.619 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -3.479 -3.823 3.467 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -3.948 -4.664 4.964 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -4.486 -2.993 4.676 1.00 0.00 H new ATOM 1604 N LYS A 107 -0.547 -5.171 7.740 1.00 0.00 N ATOM 1605 CA LYS A 107 0.199 -6.394 7.472 1.00 0.00 C ATOM 1606 C LYS A 107 -0.742 -7.530 7.082 1.00 0.00 C ATOM 1607 O LYS A 107 -1.537 -7.999 7.897 1.00 0.00 O ATOM 1608 CB LYS A 107 1.019 -6.796 8.699 1.00 0.00 C ATOM 1609 CG LYS A 107 2.115 -5.804 9.049 1.00 0.00 C ATOM 1610 CD LYS A 107 3.240 -6.468 9.827 1.00 0.00 C ATOM 1611 CE LYS A 107 4.308 -7.022 8.897 1.00 0.00 C ATOM 1612 NZ LYS A 107 5.506 -7.491 9.647 1.00 0.00 N ATOM 0 H LYS A 107 -1.204 -5.240 8.517 1.00 0.00 H new ATOM 0 HA LYS A 107 0.875 -6.202 6.639 1.00 0.00 H new ATOM 0 HB2 LYS A 107 0.351 -6.903 9.553 1.00 0.00 H new ATOM 0 HB3 LYS A 107 1.468 -7.773 8.521 1.00 0.00 H new ATOM 0 HG2 LYS A 107 2.514 -5.363 8.135 1.00 0.00 H new ATOM 0 HG3 LYS A 107 1.695 -4.989 9.639 1.00 0.00 H new ATOM 0 HD2 LYS A 107 3.689 -5.745 10.509 1.00 0.00 H new ATOM 0 HD3 LYS A 107 2.835 -7.274 10.439 1.00 0.00 H new ATOM 0 HE2 LYS A 107 3.894 -7.849 8.320 1.00 0.00 H new ATOM 0 HE3 LYS A 107 4.604 -6.252 8.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 6.211 -7.861 8.978 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 5.916 -6.696 10.178 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 5.228 -8.243 10.309 1.00 0.00 H new ATOM 1626 N VAL A 108 -0.646 -7.970 5.831 1.00 0.00 N ATOM 1627 CA VAL A 108 -1.487 -9.053 5.335 1.00 0.00 C ATOM 1628 C VAL A 108 -0.644 -10.240 4.884 1.00 0.00 C ATOM 1629 O VAL A 108 0.291 -10.088 4.097 1.00 0.00 O ATOM 1630 CB VAL A 108 -2.367 -8.586 4.161 1.00 0.00 C ATOM 1631 CG1 VAL A 108 -3.271 -9.715 3.690 1.00 0.00 C ATOM 1632 CG2 VAL A 108 -3.186 -7.368 4.560 1.00 0.00 C ATOM 0 H VAL A 108 0.006 -7.593 5.143 1.00 0.00 H new ATOM 0 HA VAL A 108 -2.129 -9.360 6.161 1.00 0.00 H new ATOM 0 HB VAL A 108 -1.717 -8.303 3.333 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -3.886 -9.367 2.860 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -2.661 -10.557 3.362 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -3.915 -10.032 4.510 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -3.802 -7.052 3.718 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -3.828 -7.622 5.404 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -2.516 -6.556 4.844 1.00 0.00 H new ATOM 1642 N ALA A 109 -0.981 -11.423 5.387 1.00 0.00 N ATOM 1643 CA ALA A 109 -0.257 -12.638 5.033 1.00 0.00 C ATOM 1644 C ALA A 109 -0.887 -13.321 3.824 1.00 0.00 C ATOM 1645 O ALA A 109 -2.064 -13.682 3.845 1.00 0.00 O ATOM 1646 CB ALA A 109 -0.215 -13.592 6.218 1.00 0.00 C ATOM 0 H ALA A 109 -1.751 -11.566 6.041 1.00 0.00 H new ATOM 0 HA ALA A 109 0.763 -12.359 4.769 1.00 0.00 H new ATOM 0 HB1 ALA A 109 0.329 -14.495 5.939 1.00 0.00 H new ATOM 0 HB2 ALA A 109 0.288 -13.110 7.056 1.00 0.00 H new ATOM 0 HB3 ALA A 109 -1.232 -13.856 6.509 1.00 0.00 H new ATOM 1652 N THR A 110 -0.096 -13.495 2.769 1.00 0.00 N ATOM 1653 CA THR A 110 -0.577 -14.132 1.550 1.00 0.00 C ATOM 1654 C THR A 110 -1.294 -15.441 1.861 1.00 0.00 C ATOM 1655 O THR A 110 -1.244 -15.934 2.987 1.00 0.00 O ATOM 1656 CB THR A 110 0.577 -14.412 0.570 1.00 0.00 C ATOM 1657 OG1 THR A 110 1.785 -14.669 1.295 1.00 0.00 O ATOM 1658 CG2 THR A 110 0.785 -13.235 -0.372 1.00 0.00 C ATOM 0 H THR A 110 0.881 -13.203 2.735 1.00 0.00 H new ATOM 0 HA THR A 110 -1.278 -13.438 1.085 1.00 0.00 H new ATOM 0 HB THR A 110 0.316 -15.289 -0.022 1.00 0.00 H new ATOM 0 HG1 THR A 110 2.541 -14.698 0.672 1.00 0.00 H new ATOM 0 HG21 THR A 110 1.605 -13.456 -1.055 1.00 0.00 H new ATOM 0 HG22 THR A 110 -0.126 -13.061 -0.944 1.00 0.00 H new ATOM 0 HG23 THR A 110 1.025 -12.343 0.207 1.00 0.00 H new ATOM 1666 N GLN A 111 -1.960 -15.999 0.855 1.00 0.00 N ATOM 1667 CA GLN A 111 -2.687 -17.252 1.022 1.00 0.00 C ATOM 1668 C GLN A 111 -1.770 -18.448 0.792 1.00 0.00 C ATOM 1669 O GLN A 111 -0.857 -18.412 -0.034 1.00 0.00 O ATOM 1670 CB GLN A 111 -3.873 -17.310 0.057 1.00 0.00 C ATOM 1671 CG GLN A 111 -4.783 -16.096 0.137 1.00 0.00 C ATOM 1672 CD GLN A 111 -6.082 -16.289 -0.621 1.00 0.00 C ATOM 1673 OE1 GLN A 111 -7.180 -15.810 -0.047 1.00 0.00 O flip ATOM 1674 NE2 GLN A 111 -6.099 -16.861 -1.711 1.00 0.00 N flip ATOM 0 H GLN A 111 -2.011 -15.603 -0.084 1.00 0.00 H new ATOM 0 HA GLN A 111 -3.058 -17.294 2.046 1.00 0.00 H new ATOM 0 HB2 GLN A 111 -3.497 -17.405 -0.962 1.00 0.00 H new ATOM 0 HB3 GLN A 111 -4.457 -18.206 0.266 1.00 0.00 H new ATOM 0 HG2 GLN A 111 -5.005 -15.882 1.182 1.00 0.00 H new ATOM 0 HG3 GLN A 111 -4.259 -15.227 -0.262 1.00 0.00 H new ATOM 0 HE21 GLN A 111 -5.232 -17.214 -2.116 1.00 0.00 H new ATOM 0 HE22 GLN A 111 -6.981 -16.982 -2.210 1.00 0.00 H new ATOM 1683 N PRO A 112 -2.016 -19.535 1.539 1.00 0.00 N ATOM 1684 CA PRO A 112 -1.222 -20.763 1.435 1.00 0.00 C ATOM 1685 C PRO A 112 -1.458 -21.495 0.118 1.00 0.00 C ATOM 1686 O PRO A 112 -0.980 -22.612 -0.075 1.00 0.00 O ATOM 1687 CB PRO A 112 -1.718 -21.607 2.612 1.00 0.00 C ATOM 1688 CG PRO A 112 -3.100 -21.114 2.875 1.00 0.00 C ATOM 1689 CD PRO A 112 -3.087 -19.648 2.543 1.00 0.00 C ATOM 0 HA PRO A 112 -0.151 -20.560 1.460 1.00 0.00 H new ATOM 0 HB2 PRO A 112 -1.716 -22.669 2.366 1.00 0.00 H new ATOM 0 HB3 PRO A 112 -1.080 -21.481 3.486 1.00 0.00 H new ATOM 0 HG2 PRO A 112 -3.827 -21.646 2.262 1.00 0.00 H new ATOM 0 HG3 PRO A 112 -3.381 -21.276 3.916 1.00 0.00 H new ATOM 0 HD2 PRO A 112 -4.047 -19.317 2.146 1.00 0.00 H new ATOM 0 HD3 PRO A 112 -2.879 -19.039 3.423 1.00 0.00 H new