USER MOD reduce.3.24.130724 H: found=0, std=0, add=753, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 755 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 105 GLN :FLIP amide:sc= -1.39 F(o=-1.2,f=-0.44) USER MOD Set 1.2: A 107 GLN : amide:sc= 0.952 K(o=-0.44,f=-7.5!) USER MOD Set 2.1: A 85 TYR OH : rot 71:sc= 1.07 USER MOD Set 2.2: A 93 GLN : amide:sc= 1.26 X(o=2.3,f=1.9) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ -172:sc=-0.00307 (180deg=-0.159) USER MOD Single : A 25 LYS NZ :NH3+ 140:sc= -1.15 (180deg=-3.88!) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 CYS SG : rot 50:sc= -0.912 USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=-0.46) USER MOD Single : A 37 HIS : no HD1:sc= -0.0777 X(o=-0.078,f=0) USER MOD Single : A 45 THR OG1 : rot -120:sc= 0.369 USER MOD Single : A 46 LYS NZ :NH3+ -159:sc= -0.146 (180deg=-0.616) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 TYR OH : rot 30:sc= 1.23 USER MOD Single : A 53 GLN :FLIP amide:sc= -0.748 F(o=-3.2!,f=-0.75) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 MET CE :methyl -166:sc= -0.578 (180deg=-1.12) USER MOD Single : A 63 SER OG : rot 180:sc= 0.016 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 ASN :FLIP amide:sc= -0.0867 F(o=-1.5!,f=-0.087) USER MOD Single : A 74 TYR OH : rot 80:sc= 1.25 USER MOD Single : A 80 THR OG1 : rot 45:sc= 0.0733 USER MOD Single : A 84 TYR OH : rot 180:sc= -0.122 USER MOD Single : A 86 THR OG1 : rot -160:sc= 0 USER MOD Single : A 87 SER OG : rot -38:sc= 0.385 USER MOD Single : A 89 SER OG : rot 91:sc= -0.479 USER MOD Single : A 90 THR OG1 : rot -93:sc= 0.437 USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 TYR OH : rot 60:sc= 1.24 USER MOD Single : A 100 GLN : amide:sc= 0 K(o=0,f=-0.78) USER MOD Single : A 102 SER OG : rot -23:sc= 0.0856 USER MOD Single : A 108 GLN : amide:sc= -0.126 K(o=-0.13,f=-4.2!) USER MOD Single : A 110 THR OG1 : rot -39:sc= 1.19 USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 185 N PHE A 13 -5.483 -10.537 12.219 1.00 0.00 N ATOM 186 CA PHE A 13 -6.213 -9.737 11.251 1.00 0.00 C ATOM 187 C PHE A 13 -5.607 -9.905 9.864 1.00 0.00 C ATOM 188 O PHE A 13 -4.385 -9.955 9.713 1.00 0.00 O ATOM 189 CB PHE A 13 -6.186 -8.255 11.645 1.00 0.00 C ATOM 190 CG PHE A 13 -6.605 -7.983 13.066 1.00 0.00 C ATOM 191 CD1 PHE A 13 -7.944 -7.938 13.416 1.00 0.00 C ATOM 192 CD2 PHE A 13 -5.654 -7.768 14.052 1.00 0.00 C ATOM 193 CE1 PHE A 13 -8.327 -7.687 14.721 1.00 0.00 C ATOM 194 CE2 PHE A 13 -6.031 -7.516 15.357 1.00 0.00 C ATOM 195 CZ PHE A 13 -7.369 -7.477 15.693 1.00 0.00 C ATOM 0 HA PHE A 13 -7.247 -10.081 11.237 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -5.177 -7.870 11.496 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -6.841 -7.701 10.973 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -8.699 -8.101 12.661 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -4.605 -7.798 13.796 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -9.375 -7.655 14.980 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -5.279 -7.350 16.114 1.00 0.00 H new ATOM 0 HZ PHE A 13 -7.666 -7.283 16.713 1.00 0.00 H new ATOM 205 N SER A 14 -6.462 -10.004 8.863 1.00 0.00 N ATOM 206 CA SER A 14 -6.015 -10.110 7.487 1.00 0.00 C ATOM 207 C SER A 14 -6.548 -8.937 6.674 1.00 0.00 C ATOM 208 O SER A 14 -7.748 -8.640 6.704 1.00 0.00 O ATOM 209 CB SER A 14 -6.479 -11.438 6.882 1.00 0.00 C ATOM 210 OG SER A 14 -6.118 -11.538 5.515 1.00 0.00 O ATOM 0 H SER A 14 -7.475 -10.013 8.979 1.00 0.00 H new ATOM 0 HA SER A 14 -4.926 -10.083 7.465 1.00 0.00 H new ATOM 0 HB2 SER A 14 -6.039 -12.266 7.438 1.00 0.00 H new ATOM 0 HB3 SER A 14 -7.561 -11.527 6.982 1.00 0.00 H new ATOM 0 HG SER A 14 -6.426 -12.397 5.157 1.00 0.00 H new ATOM 216 N ILE A 15 -5.653 -8.256 5.977 1.00 0.00 N ATOM 217 CA ILE A 15 -6.031 -7.115 5.160 1.00 0.00 C ATOM 218 C ILE A 15 -6.324 -7.545 3.730 1.00 0.00 C ATOM 219 O ILE A 15 -5.462 -8.098 3.046 1.00 0.00 O ATOM 220 CB ILE A 15 -4.929 -6.035 5.144 1.00 0.00 C ATOM 221 CG1 ILE A 15 -4.616 -5.580 6.570 1.00 0.00 C ATOM 222 CG2 ILE A 15 -5.360 -4.846 4.290 1.00 0.00 C ATOM 223 CD1 ILE A 15 -3.562 -4.499 6.651 1.00 0.00 C ATOM 0 H ILE A 15 -4.657 -8.475 5.961 1.00 0.00 H new ATOM 0 HA ILE A 15 -6.931 -6.692 5.607 1.00 0.00 H new ATOM 0 HB ILE A 15 -4.027 -6.464 4.708 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -5.533 -5.216 7.034 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -4.285 -6.441 7.151 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -4.571 -4.094 4.289 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -5.544 -5.179 3.269 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -6.273 -4.415 4.701 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -3.396 -4.230 7.694 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -2.631 -4.865 6.218 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -3.898 -3.621 6.099 1.00 0.00 H new ATOM 235 N GLU A 16 -7.544 -7.297 3.286 1.00 0.00 N ATOM 236 CA GLU A 16 -7.924 -7.579 1.915 1.00 0.00 C ATOM 237 C GLU A 16 -7.754 -6.323 1.073 1.00 0.00 C ATOM 238 O GLU A 16 -8.027 -5.217 1.538 1.00 0.00 O ATOM 239 CB GLU A 16 -9.367 -8.087 1.843 1.00 0.00 C ATOM 240 CG GLU A 16 -9.792 -8.506 0.446 1.00 0.00 C ATOM 241 CD GLU A 16 -8.893 -9.581 -0.138 1.00 0.00 C ATOM 242 OE1 GLU A 16 -7.773 -9.251 -0.579 1.00 0.00 O ATOM 243 OE2 GLU A 16 -9.302 -10.760 -0.160 1.00 0.00 O ATOM 0 H GLU A 16 -8.289 -6.900 3.858 1.00 0.00 H new ATOM 0 HA GLU A 16 -7.276 -8.363 1.522 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -9.479 -8.935 2.518 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -10.038 -7.305 2.199 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -10.818 -8.872 0.477 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -9.784 -7.635 -0.209 1.00 0.00 H new ATOM 250 N THR A 17 -7.296 -6.494 -0.154 1.00 0.00 N ATOM 251 CA THR A 17 -7.006 -5.365 -1.015 1.00 0.00 C ATOM 252 C THR A 17 -7.744 -5.478 -2.343 1.00 0.00 C ATOM 253 O THR A 17 -7.884 -6.570 -2.899 1.00 0.00 O ATOM 254 CB THR A 17 -5.494 -5.249 -1.283 1.00 0.00 C ATOM 255 OG1 THR A 17 -4.967 -6.523 -1.680 1.00 0.00 O ATOM 256 CG2 THR A 17 -4.755 -4.747 -0.050 1.00 0.00 C ATOM 0 H THR A 17 -7.117 -7.405 -0.576 1.00 0.00 H new ATOM 0 HA THR A 17 -7.348 -4.470 -0.495 1.00 0.00 H new ATOM 0 HB THR A 17 -5.347 -4.528 -2.087 1.00 0.00 H new ATOM 0 HG1 THR A 17 -4.005 -6.441 -1.850 1.00 0.00 H new ATOM 0 HG21 THR A 17 -3.690 -4.675 -0.269 1.00 0.00 H new ATOM 0 HG22 THR A 17 -5.136 -3.764 0.227 1.00 0.00 H new ATOM 0 HG23 THR A 17 -4.910 -5.442 0.775 1.00 0.00 H new ATOM 264 N MET A 18 -8.224 -4.348 -2.837 1.00 0.00 N ATOM 265 CA MET A 18 -8.857 -4.294 -4.144 1.00 0.00 C ATOM 266 C MET A 18 -7.792 -4.303 -5.231 1.00 0.00 C ATOM 267 O MET A 18 -6.825 -3.544 -5.165 1.00 0.00 O ATOM 268 CB MET A 18 -9.747 -3.048 -4.270 1.00 0.00 C ATOM 269 CG MET A 18 -11.075 -3.157 -3.527 1.00 0.00 C ATOM 270 SD MET A 18 -10.882 -3.301 -1.737 1.00 0.00 S ATOM 271 CE MET A 18 -12.583 -3.530 -1.236 1.00 0.00 C ATOM 0 H MET A 18 -8.187 -3.453 -2.350 1.00 0.00 H new ATOM 0 HA MET A 18 -9.493 -5.172 -4.262 1.00 0.00 H new ATOM 0 HB2 MET A 18 -9.201 -2.184 -3.892 1.00 0.00 H new ATOM 0 HB3 MET A 18 -9.947 -2.862 -5.325 1.00 0.00 H new ATOM 0 HG2 MET A 18 -11.682 -2.279 -3.751 1.00 0.00 H new ATOM 0 HG3 MET A 18 -11.621 -4.025 -3.898 1.00 0.00 H new ATOM 0 HE1 MET A 18 -12.632 -3.635 -0.152 1.00 0.00 H new ATOM 0 HE2 MET A 18 -13.172 -2.666 -1.544 1.00 0.00 H new ATOM 0 HE3 MET A 18 -12.983 -4.428 -1.706 1.00 0.00 H new ATOM 281 N PRO A 19 -7.952 -5.180 -6.234 1.00 0.00 N ATOM 282 CA PRO A 19 -6.959 -5.376 -7.296 1.00 0.00 C ATOM 283 C PRO A 19 -6.675 -4.103 -8.083 1.00 0.00 C ATOM 284 O PRO A 19 -7.572 -3.291 -8.326 1.00 0.00 O ATOM 285 CB PRO A 19 -7.603 -6.430 -8.205 1.00 0.00 C ATOM 286 CG PRO A 19 -8.611 -7.109 -7.348 1.00 0.00 C ATOM 287 CD PRO A 19 -9.120 -6.058 -6.410 1.00 0.00 C ATOM 0 HA PRO A 19 -5.994 -5.675 -6.887 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -8.070 -5.969 -9.075 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -6.861 -7.136 -8.578 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -9.421 -7.523 -7.949 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -8.164 -7.939 -6.801 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -9.970 -5.520 -6.829 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -9.449 -6.487 -5.463 1.00 0.00 H new ATOM 295 N VAL A 20 -5.421 -3.944 -8.477 1.00 0.00 N ATOM 296 CA VAL A 20 -4.999 -2.798 -9.264 1.00 0.00 C ATOM 297 C VAL A 20 -5.262 -3.044 -10.748 1.00 0.00 C ATOM 298 O VAL A 20 -5.349 -4.194 -11.189 1.00 0.00 O ATOM 299 CB VAL A 20 -3.496 -2.493 -9.059 1.00 0.00 C ATOM 300 CG1 VAL A 20 -3.213 -2.106 -7.615 1.00 0.00 C ATOM 301 CG2 VAL A 20 -2.641 -3.686 -9.469 1.00 0.00 C ATOM 0 H VAL A 20 -4.672 -4.602 -8.261 1.00 0.00 H new ATOM 0 HA VAL A 20 -5.579 -1.940 -8.925 1.00 0.00 H new ATOM 0 HB VAL A 20 -3.235 -1.648 -9.696 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -2.150 -1.896 -7.496 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -3.789 -1.217 -7.357 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -3.497 -2.927 -6.956 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -1.588 -3.449 -9.316 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -2.909 -4.551 -8.863 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -2.813 -3.912 -10.521 1.00 0.00 H new ATOM 311 N PRO A 21 -5.417 -1.970 -11.532 1.00 0.00 N ATOM 312 CA PRO A 21 -5.575 -2.074 -12.982 1.00 0.00 C ATOM 313 C PRO A 21 -4.287 -2.543 -13.647 1.00 0.00 C ATOM 314 O PRO A 21 -3.191 -2.290 -13.146 1.00 0.00 O ATOM 315 CB PRO A 21 -5.912 -0.644 -13.411 1.00 0.00 C ATOM 316 CG PRO A 21 -5.335 0.220 -12.341 1.00 0.00 C ATOM 317 CD PRO A 21 -5.452 -0.570 -11.068 1.00 0.00 C ATOM 0 HA PRO A 21 -6.337 -2.799 -13.268 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -5.480 -0.411 -14.384 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -6.989 -0.500 -13.498 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -4.295 0.465 -12.555 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -5.876 1.164 -12.267 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -4.632 -0.353 -10.383 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -6.378 -0.345 -10.539 1.00 0.00 H new ATOM 325 N LYS A 22 -4.415 -3.220 -14.776 1.00 0.00 N ATOM 326 CA LYS A 22 -3.252 -3.735 -15.488 1.00 0.00 C ATOM 327 C LYS A 22 -2.737 -2.689 -16.472 1.00 0.00 C ATOM 328 O LYS A 22 -1.878 -2.975 -17.308 1.00 0.00 O ATOM 329 CB LYS A 22 -3.608 -5.028 -16.230 1.00 0.00 C ATOM 330 CG LYS A 22 -4.239 -6.099 -15.351 1.00 0.00 C ATOM 331 CD LYS A 22 -3.295 -6.570 -14.255 1.00 0.00 C ATOM 332 CE LYS A 22 -3.940 -7.659 -13.410 1.00 0.00 C ATOM 333 NZ LYS A 22 -3.039 -8.150 -12.334 1.00 0.00 N ATOM 0 H LYS A 22 -5.310 -3.427 -15.220 1.00 0.00 H new ATOM 0 HA LYS A 22 -2.468 -3.956 -14.763 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -4.294 -4.790 -17.043 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -2.704 -5.433 -16.685 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -5.150 -5.706 -14.900 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -4.530 -6.949 -15.968 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -2.375 -6.948 -14.700 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -3.020 -5.728 -13.620 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -4.857 -7.274 -12.964 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -4.223 -8.493 -14.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -3.523 -8.890 -11.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -2.174 -8.543 -12.758 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -2.789 -7.361 -11.704 1.00 0.00 H new ATOM 347 N LYS A 23 -3.274 -1.479 -16.366 1.00 0.00 N ATOM 348 CA LYS A 23 -2.896 -0.380 -17.243 1.00 0.00 C ATOM 349 C LYS A 23 -2.704 0.893 -16.429 1.00 0.00 C ATOM 350 O LYS A 23 -3.667 1.439 -15.884 1.00 0.00 O ATOM 351 CB LYS A 23 -3.976 -0.152 -18.309 1.00 0.00 C ATOM 352 CG LYS A 23 -4.375 -1.413 -19.061 1.00 0.00 C ATOM 353 CD LYS A 23 -5.398 -1.123 -20.145 1.00 0.00 C ATOM 354 CE LYS A 23 -5.936 -2.408 -20.752 1.00 0.00 C ATOM 355 NZ LYS A 23 -4.850 -3.289 -21.252 1.00 0.00 N ATOM 0 H LYS A 23 -3.981 -1.234 -15.672 1.00 0.00 H new ATOM 0 HA LYS A 23 -1.959 -0.637 -17.738 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -4.860 0.270 -17.832 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -3.616 0.588 -19.024 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -3.490 -1.865 -19.508 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -4.785 -2.140 -18.360 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -6.221 -0.543 -19.726 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -4.942 -0.513 -20.925 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -6.521 -2.944 -20.005 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -6.612 -2.165 -21.572 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -5.263 -4.086 -21.777 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -4.225 -2.747 -21.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -4.300 -3.652 -20.448 1.00 0.00 H new ATOM 369 N LEU A 24 -1.469 1.362 -16.336 1.00 0.00 N ATOM 370 CA LEU A 24 -1.168 2.568 -15.581 1.00 0.00 C ATOM 371 C LEU A 24 -0.255 3.498 -16.366 1.00 0.00 C ATOM 372 O LEU A 24 0.768 3.080 -16.912 1.00 0.00 O ATOM 373 CB LEU A 24 -0.534 2.223 -14.233 1.00 0.00 C ATOM 374 CG LEU A 24 -1.515 1.754 -13.158 1.00 0.00 C ATOM 375 CD1 LEU A 24 -0.773 1.374 -11.887 1.00 0.00 C ATOM 376 CD2 LEU A 24 -2.535 2.844 -12.872 1.00 0.00 C ATOM 0 H LEU A 24 -0.658 0.925 -16.775 1.00 0.00 H new ATOM 0 HA LEU A 24 -2.110 3.086 -15.402 1.00 0.00 H new ATOM 0 HB2 LEU A 24 0.212 1.443 -14.388 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -0.005 3.101 -13.862 1.00 0.00 H new ATOM 0 HG LEU A 24 -2.038 0.871 -13.525 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -1.488 1.043 -11.134 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -0.072 0.567 -12.102 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -0.226 2.239 -11.513 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -3.229 2.500 -12.105 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -2.022 3.740 -12.522 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -3.086 3.075 -13.784 1.00 0.00 H new ATOM 388 N LYS A 25 -0.646 4.760 -16.415 1.00 0.00 N ATOM 389 CA LYS A 25 0.109 5.783 -17.121 1.00 0.00 C ATOM 390 C LYS A 25 1.082 6.469 -16.166 1.00 0.00 C ATOM 391 O LYS A 25 0.850 6.499 -14.958 1.00 0.00 O ATOM 392 CB LYS A 25 -0.857 6.817 -17.704 1.00 0.00 C ATOM 393 CG LYS A 25 -0.200 7.858 -18.597 1.00 0.00 C ATOM 394 CD LYS A 25 -1.152 8.999 -18.939 1.00 0.00 C ATOM 395 CE LYS A 25 -2.276 8.580 -19.885 1.00 0.00 C ATOM 396 NZ LYS A 25 -3.280 7.684 -19.248 1.00 0.00 N ATOM 0 H LYS A 25 -1.495 5.105 -15.967 1.00 0.00 H new ATOM 0 HA LYS A 25 0.675 5.317 -17.927 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -1.624 6.297 -18.277 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -1.363 7.327 -16.884 1.00 0.00 H new ATOM 0 HG2 LYS A 25 0.682 8.259 -18.098 1.00 0.00 H new ATOM 0 HG3 LYS A 25 0.142 7.383 -19.517 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -1.587 9.390 -18.019 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -0.586 9.812 -19.394 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -2.780 9.472 -20.257 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -1.845 8.074 -20.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -4.234 7.948 -19.568 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -3.086 6.698 -19.517 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -3.223 7.778 -18.214 1.00 0.00 H new ATOM 410 N VAL A 26 2.169 7.007 -16.701 1.00 0.00 N ATOM 411 CA VAL A 26 3.096 7.787 -15.895 1.00 0.00 C ATOM 412 C VAL A 26 2.429 9.089 -15.465 1.00 0.00 C ATOM 413 O VAL A 26 1.938 9.853 -16.298 1.00 0.00 O ATOM 414 CB VAL A 26 4.402 8.100 -16.659 1.00 0.00 C ATOM 415 CG1 VAL A 26 5.375 8.868 -15.774 1.00 0.00 C ATOM 416 CG2 VAL A 26 5.041 6.819 -17.171 1.00 0.00 C ATOM 0 H VAL A 26 2.429 6.918 -17.683 1.00 0.00 H new ATOM 0 HA VAL A 26 3.358 7.193 -15.020 1.00 0.00 H new ATOM 0 HB VAL A 26 4.154 8.727 -17.515 1.00 0.00 H new ATOM 0 HG11 VAL A 26 6.287 9.077 -16.333 1.00 0.00 H new ATOM 0 HG12 VAL A 26 4.918 9.807 -15.460 1.00 0.00 H new ATOM 0 HG13 VAL A 26 5.617 8.270 -14.895 1.00 0.00 H new ATOM 0 HG21 VAL A 26 5.960 7.059 -17.706 1.00 0.00 H new ATOM 0 HG22 VAL A 26 5.272 6.166 -16.329 1.00 0.00 H new ATOM 0 HG23 VAL A 26 4.350 6.312 -17.845 1.00 0.00 H new ATOM 426 N GLY A 27 2.387 9.320 -14.161 1.00 0.00 N ATOM 427 CA GLY A 27 1.729 10.497 -13.629 1.00 0.00 C ATOM 428 C GLY A 27 0.297 10.206 -13.228 1.00 0.00 C ATOM 429 O GLY A 27 -0.410 11.079 -12.720 1.00 0.00 O ATOM 0 H GLY A 27 2.800 8.709 -13.457 1.00 0.00 H new ATOM 0 HA2 GLY A 27 2.282 10.863 -12.764 1.00 0.00 H new ATOM 0 HA3 GLY A 27 1.744 11.291 -14.376 1.00 0.00 H new ATOM 433 N GLU A 28 -0.127 8.969 -13.452 1.00 0.00 N ATOM 434 CA GLU A 28 -1.488 8.553 -13.155 1.00 0.00 C ATOM 435 C GLU A 28 -1.550 7.931 -11.763 1.00 0.00 C ATOM 436 O GLU A 28 -0.545 7.428 -11.258 1.00 0.00 O ATOM 437 CB GLU A 28 -1.956 7.553 -14.213 1.00 0.00 C ATOM 438 CG GLU A 28 -3.454 7.315 -14.234 1.00 0.00 C ATOM 439 CD GLU A 28 -3.869 6.455 -15.407 1.00 0.00 C ATOM 440 OE1 GLU A 28 -4.107 7.015 -16.500 1.00 0.00 O ATOM 441 OE2 GLU A 28 -3.943 5.220 -15.249 1.00 0.00 O ATOM 0 H GLU A 28 0.460 8.231 -13.842 1.00 0.00 H new ATOM 0 HA GLU A 28 -2.148 9.421 -13.173 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -1.644 7.909 -15.195 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -1.452 6.601 -14.044 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -3.759 6.834 -13.305 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -3.974 8.272 -14.283 1.00 0.00 H new ATOM 448 N THR A 29 -2.718 7.975 -11.144 1.00 0.00 N ATOM 449 CA THR A 29 -2.884 7.453 -9.800 1.00 0.00 C ATOM 450 C THR A 29 -3.799 6.229 -9.788 1.00 0.00 C ATOM 451 O THR A 29 -4.768 6.153 -10.546 1.00 0.00 O ATOM 452 CB THR A 29 -3.461 8.537 -8.867 1.00 0.00 C ATOM 453 OG1 THR A 29 -2.634 9.711 -8.922 1.00 0.00 O ATOM 454 CG2 THR A 29 -3.550 8.044 -7.429 1.00 0.00 C ATOM 0 H THR A 29 -3.566 8.368 -11.553 1.00 0.00 H new ATOM 0 HA THR A 29 -1.900 7.153 -9.441 1.00 0.00 H new ATOM 0 HB THR A 29 -4.469 8.774 -9.208 1.00 0.00 H new ATOM 0 HG1 THR A 29 -3.003 10.399 -8.330 1.00 0.00 H new ATOM 0 HG21 THR A 29 -3.961 8.833 -6.799 1.00 0.00 H new ATOM 0 HG22 THR A 29 -4.198 7.169 -7.384 1.00 0.00 H new ATOM 0 HG23 THR A 29 -2.555 7.777 -7.074 1.00 0.00 H new ATOM 462 N ALA A 30 -3.463 5.264 -8.947 1.00 0.00 N ATOM 463 CA ALA A 30 -4.291 4.086 -8.748 1.00 0.00 C ATOM 464 C ALA A 30 -4.604 3.916 -7.270 1.00 0.00 C ATOM 465 O ALA A 30 -3.692 3.780 -6.450 1.00 0.00 O ATOM 466 CB ALA A 30 -3.595 2.846 -9.289 1.00 0.00 C ATOM 0 H ALA A 30 -2.612 5.275 -8.385 1.00 0.00 H new ATOM 0 HA ALA A 30 -5.225 4.218 -9.294 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -4.230 1.974 -9.131 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -3.408 2.970 -10.356 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -2.648 2.704 -8.768 1.00 0.00 H new ATOM 472 N GLU A 31 -5.884 3.952 -6.924 1.00 0.00 N ATOM 473 CA GLU A 31 -6.294 3.802 -5.537 1.00 0.00 C ATOM 474 C GLU A 31 -6.340 2.329 -5.134 1.00 0.00 C ATOM 475 O GLU A 31 -7.247 1.584 -5.503 1.00 0.00 O ATOM 476 CB GLU A 31 -7.650 4.478 -5.276 1.00 0.00 C ATOM 477 CG GLU A 31 -8.791 3.957 -6.138 1.00 0.00 C ATOM 478 CD GLU A 31 -10.144 4.464 -5.685 1.00 0.00 C ATOM 479 OE1 GLU A 31 -10.686 3.925 -4.693 1.00 0.00 O ATOM 480 OE2 GLU A 31 -10.676 5.397 -6.322 1.00 0.00 O ATOM 0 H GLU A 31 -6.652 4.083 -7.582 1.00 0.00 H new ATOM 0 HA GLU A 31 -5.547 4.301 -4.920 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -7.913 4.343 -4.227 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -7.545 5.550 -5.443 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -8.624 4.255 -7.173 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -8.790 2.867 -6.115 1.00 0.00 H new ATOM 487 N ILE A 32 -5.336 1.908 -4.389 1.00 0.00 N ATOM 488 CA ILE A 32 -5.304 0.565 -3.851 1.00 0.00 C ATOM 489 C ILE A 32 -6.104 0.523 -2.556 1.00 0.00 C ATOM 490 O ILE A 32 -5.625 0.941 -1.501 1.00 0.00 O ATOM 491 CB ILE A 32 -3.855 0.101 -3.578 1.00 0.00 C ATOM 492 CG1 ILE A 32 -2.986 0.302 -4.827 1.00 0.00 C ATOM 493 CG2 ILE A 32 -3.838 -1.359 -3.139 1.00 0.00 C ATOM 494 CD1 ILE A 32 -1.524 -0.038 -4.618 1.00 0.00 C ATOM 0 H ILE A 32 -4.529 2.481 -4.143 1.00 0.00 H new ATOM 0 HA ILE A 32 -5.742 -0.109 -4.587 1.00 0.00 H new ATOM 0 HB ILE A 32 -3.441 0.706 -2.771 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -3.380 -0.314 -5.635 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -3.065 1.340 -5.150 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -2.811 -1.670 -2.951 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -4.424 -1.472 -2.227 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -4.267 -1.980 -3.925 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -0.975 0.129 -5.545 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -1.112 0.596 -3.833 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -1.432 -1.084 -4.326 1.00 0.00 H new ATOM 506 N ARG A 33 -7.334 0.052 -2.642 1.00 0.00 N ATOM 507 CA ARG A 33 -8.193 -0.012 -1.476 1.00 0.00 C ATOM 508 C ARG A 33 -7.787 -1.170 -0.589 1.00 0.00 C ATOM 509 O ARG A 33 -7.550 -2.278 -1.068 1.00 0.00 O ATOM 510 CB ARG A 33 -9.658 -0.146 -1.879 1.00 0.00 C ATOM 511 CG ARG A 33 -10.204 1.077 -2.588 1.00 0.00 C ATOM 512 CD ARG A 33 -11.647 0.874 -3.007 1.00 0.00 C ATOM 513 NE ARG A 33 -12.552 0.739 -1.864 1.00 0.00 N ATOM 514 CZ ARG A 33 -13.820 1.155 -1.869 1.00 0.00 C ATOM 515 NH1 ARG A 33 -14.322 1.759 -2.939 1.00 0.00 N ATOM 516 NH2 ARG A 33 -14.586 0.968 -0.801 1.00 0.00 N ATOM 0 H ARG A 33 -7.759 -0.290 -3.504 1.00 0.00 H new ATOM 0 HA ARG A 33 -8.078 0.919 -0.920 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -9.770 -1.013 -2.529 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -10.256 -0.337 -0.988 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -10.133 1.943 -1.930 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -9.595 1.293 -3.466 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -11.965 1.717 -3.620 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -11.719 -0.018 -3.630 1.00 0.00 H new ATOM 0 HE ARG A 33 -12.193 0.302 -1.015 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -13.738 1.907 -3.762 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -15.292 2.075 -2.938 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -14.206 0.506 0.025 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -15.555 1.287 -0.806 1.00 0.00 H new ATOM 530 N CYS A 34 -7.695 -0.900 0.697 1.00 0.00 N ATOM 531 CA CYS A 34 -7.256 -1.896 1.656 1.00 0.00 C ATOM 532 C CYS A 34 -8.229 -1.953 2.827 1.00 0.00 C ATOM 533 O CYS A 34 -8.550 -0.925 3.430 1.00 0.00 O ATOM 534 CB CYS A 34 -5.850 -1.561 2.156 1.00 0.00 C ATOM 535 SG CYS A 34 -4.639 -1.274 0.838 1.00 0.00 S ATOM 0 H CYS A 34 -7.920 0.007 1.105 1.00 0.00 H new ATOM 0 HA CYS A 34 -7.231 -2.871 1.168 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -5.903 -0.672 2.785 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -5.497 -2.377 2.786 1.00 0.00 H new ATOM 0 HG CYS A 34 -5.124 -0.426 -0.020 1.00 0.00 H new ATOM 541 N GLN A 35 -8.708 -3.145 3.132 1.00 0.00 N ATOM 542 CA GLN A 35 -9.643 -3.327 4.226 1.00 0.00 C ATOM 543 C GLN A 35 -9.144 -4.407 5.175 1.00 0.00 C ATOM 544 O GLN A 35 -9.080 -5.587 4.820 1.00 0.00 O ATOM 545 CB GLN A 35 -11.016 -3.706 3.677 1.00 0.00 C ATOM 546 CG GLN A 35 -12.108 -3.752 4.732 1.00 0.00 C ATOM 547 CD GLN A 35 -13.424 -4.268 4.188 1.00 0.00 C ATOM 548 OE1 GLN A 35 -13.729 -4.112 3.005 1.00 0.00 O ATOM 549 NE2 GLN A 35 -14.213 -4.883 5.051 1.00 0.00 N ATOM 0 H GLN A 35 -8.464 -4.003 2.636 1.00 0.00 H new ATOM 0 HA GLN A 35 -9.725 -2.390 4.778 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -11.299 -2.989 2.906 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -10.948 -4.682 3.196 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -11.785 -4.389 5.556 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -12.255 -2.752 5.141 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -13.921 -4.990 6.022 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -15.114 -5.250 4.746 1.00 0.00 H new ATOM 558 N LEU A 36 -8.788 -4.000 6.380 1.00 0.00 N ATOM 559 CA LEU A 36 -8.342 -4.934 7.400 1.00 0.00 C ATOM 560 C LEU A 36 -9.545 -5.625 8.028 1.00 0.00 C ATOM 561 O LEU A 36 -10.470 -4.965 8.503 1.00 0.00 O ATOM 562 CB LEU A 36 -7.508 -4.196 8.462 1.00 0.00 C ATOM 563 CG LEU A 36 -7.022 -5.043 9.646 1.00 0.00 C ATOM 564 CD1 LEU A 36 -5.664 -4.554 10.117 1.00 0.00 C ATOM 565 CD2 LEU A 36 -8.017 -4.983 10.800 1.00 0.00 C ATOM 0 H LEU A 36 -8.799 -3.025 6.678 1.00 0.00 H new ATOM 0 HA LEU A 36 -7.710 -5.696 6.944 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -6.638 -3.759 7.972 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -8.102 -3.370 8.852 1.00 0.00 H new ATOM 0 HG LEU A 36 -6.937 -6.077 9.311 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -5.330 -5.162 10.957 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -4.945 -4.635 9.302 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -5.741 -3.513 10.431 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -7.651 -5.591 11.628 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -8.129 -3.950 11.130 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -8.982 -5.365 10.468 1.00 0.00 H new ATOM 577 N HIS A 37 -9.546 -6.951 8.001 1.00 0.00 N ATOM 578 CA HIS A 37 -10.612 -7.718 8.629 1.00 0.00 C ATOM 579 C HIS A 37 -10.434 -7.713 10.137 1.00 0.00 C ATOM 580 O HIS A 37 -9.470 -8.262 10.666 1.00 0.00 O ATOM 581 CB HIS A 37 -10.662 -9.147 8.077 1.00 0.00 C ATOM 582 CG HIS A 37 -11.196 -9.216 6.678 1.00 0.00 C ATOM 583 ND1 HIS A 37 -10.537 -9.836 5.637 1.00 0.00 N ATOM 584 CD2 HIS A 37 -12.343 -8.725 6.150 1.00 0.00 C ATOM 585 CE1 HIS A 37 -11.254 -9.719 4.534 1.00 0.00 C ATOM 586 NE2 HIS A 37 -12.354 -9.050 4.818 1.00 0.00 N ATOM 0 H HIS A 37 -8.824 -7.515 7.553 1.00 0.00 H new ATOM 0 HA HIS A 37 -11.567 -7.248 8.393 1.00 0.00 H new ATOM 0 HB2 HIS A 37 -9.660 -9.574 8.099 1.00 0.00 H new ATOM 0 HB3 HIS A 37 -11.284 -9.761 8.728 1.00 0.00 H new ATOM 0 HD2 HIS A 37 -13.108 -8.178 6.681 1.00 0.00 H new ATOM 0 HE1 HIS A 37 -10.984 -10.106 3.563 1.00 0.00 H new ATOM 0 HE2 HIS A 37 -13.092 -8.813 4.155 1.00 0.00 H new ATOM 595 N ARG A 38 -11.369 -7.069 10.813 1.00 0.00 N ATOM 596 CA ARG A 38 -11.265 -6.817 12.242 1.00 0.00 C ATOM 597 C ARG A 38 -12.108 -7.824 13.022 1.00 0.00 C ATOM 598 O ARG A 38 -13.329 -7.873 12.857 1.00 0.00 O ATOM 599 CB ARG A 38 -11.751 -5.392 12.516 1.00 0.00 C ATOM 600 CG ARG A 38 -11.263 -4.800 13.823 1.00 0.00 C ATOM 601 CD ARG A 38 -11.858 -3.420 14.049 1.00 0.00 C ATOM 602 NE ARG A 38 -13.283 -3.487 14.363 1.00 0.00 N ATOM 603 CZ ARG A 38 -14.112 -2.440 14.323 1.00 0.00 C ATOM 604 NH1 ARG A 38 -13.689 -1.263 13.870 1.00 0.00 N ATOM 605 NH2 ARG A 38 -15.372 -2.573 14.731 1.00 0.00 N ATOM 0 H ARG A 38 -12.222 -6.706 10.388 1.00 0.00 H new ATOM 0 HA ARG A 38 -10.229 -6.926 12.564 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -11.428 -4.748 11.698 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -12.841 -5.387 12.515 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -11.535 -5.457 14.649 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -10.175 -4.734 13.813 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -11.329 -2.926 14.864 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -11.711 -2.811 13.157 1.00 0.00 H new ATOM 0 HE ARG A 38 -13.670 -4.392 14.630 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -12.726 -1.156 13.550 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -14.327 -0.468 13.842 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -15.705 -3.474 15.074 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -16.005 -1.774 14.701 1.00 0.00 H new ATOM 712 N THR A 45 -5.104 -1.848 18.369 1.00 0.00 N ATOM 713 CA THR A 45 -3.680 -1.947 18.094 1.00 0.00 C ATOM 714 C THR A 45 -3.297 -1.076 16.892 1.00 0.00 C ATOM 715 O THR A 45 -4.127 -0.798 16.023 1.00 0.00 O ATOM 716 CB THR A 45 -3.276 -3.421 17.840 1.00 0.00 C ATOM 717 OG1 THR A 45 -1.920 -3.506 17.388 1.00 0.00 O ATOM 718 CG2 THR A 45 -4.197 -4.075 16.819 1.00 0.00 C ATOM 0 HA THR A 45 -3.140 -1.584 18.968 1.00 0.00 H new ATOM 0 HB THR A 45 -3.370 -3.953 18.787 1.00 0.00 H new ATOM 0 HG1 THR A 45 -1.897 -3.918 16.499 1.00 0.00 H new ATOM 0 HG21 THR A 45 -3.889 -5.109 16.661 1.00 0.00 H new ATOM 0 HG22 THR A 45 -5.222 -4.054 17.188 1.00 0.00 H new ATOM 0 HG23 THR A 45 -4.139 -3.531 15.876 1.00 0.00 H new ATOM 726 N LYS A 46 -2.039 -0.642 16.857 1.00 0.00 N ATOM 727 CA LYS A 46 -1.555 0.230 15.792 1.00 0.00 C ATOM 728 C LYS A 46 -1.065 -0.578 14.598 1.00 0.00 C ATOM 729 O LYS A 46 -0.283 -1.518 14.751 1.00 0.00 O ATOM 730 CB LYS A 46 -0.417 1.131 16.284 1.00 0.00 C ATOM 731 CG LYS A 46 -0.862 2.322 17.118 1.00 0.00 C ATOM 732 CD LYS A 46 -1.313 1.916 18.510 1.00 0.00 C ATOM 733 CE LYS A 46 -1.604 3.135 19.371 1.00 0.00 C ATOM 734 NZ LYS A 46 -0.415 4.021 19.493 1.00 0.00 N ATOM 0 H LYS A 46 -1.336 -0.881 17.556 1.00 0.00 H new ATOM 0 HA LYS A 46 -2.397 0.851 15.485 1.00 0.00 H new ATOM 0 HB2 LYS A 46 0.274 0.530 16.875 1.00 0.00 H new ATOM 0 HB3 LYS A 46 0.137 1.497 15.420 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -0.040 3.034 17.198 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -1.679 2.834 16.609 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -2.207 1.296 18.439 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -0.541 1.309 18.983 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -2.433 3.696 18.939 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -1.920 2.812 20.363 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -0.516 4.623 20.335 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 0.443 3.440 19.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -0.340 4.620 18.646 1.00 0.00 H new ATOM 748 N TYR A 47 -1.522 -0.196 13.414 1.00 0.00 N ATOM 749 CA TYR A 47 -1.093 -0.834 12.180 1.00 0.00 C ATOM 750 C TYR A 47 -0.082 0.065 11.471 1.00 0.00 C ATOM 751 O TYR A 47 -0.325 1.259 11.294 1.00 0.00 O ATOM 752 CB TYR A 47 -2.294 -1.093 11.262 1.00 0.00 C ATOM 753 CG TYR A 47 -3.533 -1.578 11.982 1.00 0.00 C ATOM 754 CD1 TYR A 47 -3.537 -2.775 12.689 1.00 0.00 C ATOM 755 CD2 TYR A 47 -4.705 -0.832 11.949 1.00 0.00 C ATOM 756 CE1 TYR A 47 -4.673 -3.210 13.344 1.00 0.00 C ATOM 757 CE2 TYR A 47 -5.843 -1.262 12.601 1.00 0.00 C ATOM 758 CZ TYR A 47 -5.822 -2.450 13.296 1.00 0.00 C ATOM 759 OH TYR A 47 -6.958 -2.879 13.942 1.00 0.00 O ATOM 0 H TYR A 47 -2.195 0.559 13.283 1.00 0.00 H new ATOM 0 HA TYR A 47 -0.629 -1.791 12.419 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -2.534 -0.173 10.729 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -2.011 -1.832 10.512 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -2.639 -3.374 12.727 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -4.726 0.100 11.404 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -4.661 -4.141 13.891 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -6.745 -0.669 12.566 1.00 0.00 H new ATOM 0 HH TYR A 47 -7.676 -2.226 13.809 1.00 0.00 H new ATOM 769 N PHE A 48 1.049 -0.499 11.079 1.00 0.00 N ATOM 770 CA PHE A 48 2.107 0.270 10.431 1.00 0.00 C ATOM 771 C PHE A 48 2.402 -0.262 9.032 1.00 0.00 C ATOM 772 O PHE A 48 2.283 -1.461 8.772 1.00 0.00 O ATOM 773 CB PHE A 48 3.388 0.235 11.269 1.00 0.00 C ATOM 774 CG PHE A 48 3.241 0.841 12.638 1.00 0.00 C ATOM 775 CD1 PHE A 48 3.265 2.217 12.809 1.00 0.00 C ATOM 776 CD2 PHE A 48 3.083 0.033 13.755 1.00 0.00 C ATOM 777 CE1 PHE A 48 3.134 2.776 14.066 1.00 0.00 C ATOM 778 CE2 PHE A 48 2.954 0.589 15.013 1.00 0.00 C ATOM 779 CZ PHE A 48 2.980 1.960 15.169 1.00 0.00 C ATOM 0 H PHE A 48 1.261 -1.490 11.197 1.00 0.00 H new ATOM 0 HA PHE A 48 1.757 1.299 10.346 1.00 0.00 H new ATOM 0 HB2 PHE A 48 3.713 -0.800 11.374 1.00 0.00 H new ATOM 0 HB3 PHE A 48 4.176 0.763 10.732 1.00 0.00 H new ATOM 0 HD1 PHE A 48 3.388 2.859 11.950 1.00 0.00 H new ATOM 0 HD2 PHE A 48 3.061 -1.041 13.640 1.00 0.00 H new ATOM 0 HE1 PHE A 48 3.152 3.849 14.185 1.00 0.00 H new ATOM 0 HE2 PHE A 48 2.833 -0.050 15.875 1.00 0.00 H new ATOM 0 HZ PHE A 48 2.880 2.394 16.153 1.00 0.00 H new ATOM 789 N ILE A 49 2.798 0.638 8.143 1.00 0.00 N ATOM 790 CA ILE A 49 3.133 0.280 6.774 1.00 0.00 C ATOM 791 C ILE A 49 4.577 0.671 6.452 1.00 0.00 C ATOM 792 O ILE A 49 5.051 1.737 6.854 1.00 0.00 O ATOM 793 CB ILE A 49 2.172 0.957 5.763 1.00 0.00 C ATOM 794 CG1 ILE A 49 2.539 0.572 4.325 1.00 0.00 C ATOM 795 CG2 ILE A 49 2.183 2.471 5.934 1.00 0.00 C ATOM 796 CD1 ILE A 49 1.623 1.172 3.276 1.00 0.00 C ATOM 0 H ILE A 49 2.895 1.632 8.350 1.00 0.00 H new ATOM 0 HA ILE A 49 3.025 -0.801 6.683 1.00 0.00 H new ATOM 0 HB ILE A 49 1.162 0.600 5.965 1.00 0.00 H new ATOM 0 HG12 ILE A 49 3.562 0.889 4.124 1.00 0.00 H new ATOM 0 HG13 ILE A 49 2.518 -0.514 4.233 1.00 0.00 H new ATOM 0 HG21 ILE A 49 1.501 2.923 5.214 1.00 0.00 H new ATOM 0 HG22 ILE A 49 1.864 2.725 6.945 1.00 0.00 H new ATOM 0 HG23 ILE A 49 3.191 2.849 5.766 1.00 0.00 H new ATOM 0 HD11 ILE A 49 1.947 0.854 2.285 1.00 0.00 H new ATOM 0 HD12 ILE A 49 0.601 0.835 3.449 1.00 0.00 H new ATOM 0 HD13 ILE A 49 1.662 2.260 3.338 1.00 0.00 H new ATOM 808 N ARG A 50 5.273 -0.214 5.757 1.00 0.00 N ATOM 809 CA ARG A 50 6.639 0.037 5.316 1.00 0.00 C ATOM 810 C ARG A 50 6.939 -0.810 4.090 1.00 0.00 C ATOM 811 O ARG A 50 6.989 -2.033 4.181 1.00 0.00 O ATOM 812 CB ARG A 50 7.637 -0.291 6.436 1.00 0.00 C ATOM 813 CG ARG A 50 9.093 -0.149 6.019 1.00 0.00 C ATOM 814 CD ARG A 50 10.038 -0.403 7.181 1.00 0.00 C ATOM 815 NE ARG A 50 9.974 -1.782 7.669 1.00 0.00 N ATOM 816 CZ ARG A 50 10.790 -2.273 8.602 1.00 0.00 C ATOM 817 NH1 ARG A 50 11.742 -1.509 9.121 1.00 0.00 N ATOM 818 NH2 ARG A 50 10.650 -3.524 9.020 1.00 0.00 N ATOM 0 H ARG A 50 4.909 -1.126 5.482 1.00 0.00 H new ATOM 0 HA ARG A 50 6.740 1.093 5.064 1.00 0.00 H new ATOM 0 HB2 ARG A 50 7.446 0.366 7.285 1.00 0.00 H new ATOM 0 HB3 ARG A 50 7.464 -1.312 6.777 1.00 0.00 H new ATOM 0 HG2 ARG A 50 9.311 -0.850 5.213 1.00 0.00 H new ATOM 0 HG3 ARG A 50 9.262 0.853 5.625 1.00 0.00 H new ATOM 0 HD2 ARG A 50 11.058 -0.179 6.870 1.00 0.00 H new ATOM 0 HD3 ARG A 50 9.796 0.279 7.997 1.00 0.00 H new ATOM 0 HE ARG A 50 9.266 -2.401 7.273 1.00 0.00 H new ATOM 0 HH11 ARG A 50 11.850 -0.545 8.806 1.00 0.00 H new ATOM 0 HH12 ARG A 50 12.366 -1.886 9.835 1.00 0.00 H new ATOM 0 HH21 ARG A 50 9.916 -4.114 8.627 1.00 0.00 H new ATOM 0 HH22 ARG A 50 11.276 -3.896 9.734 1.00 0.00 H new ATOM 832 N TYR A 51 7.127 -0.176 2.943 1.00 0.00 N ATOM 833 CA TYR A 51 7.367 -0.926 1.717 1.00 0.00 C ATOM 834 C TYR A 51 8.801 -0.751 1.233 1.00 0.00 C ATOM 835 O TYR A 51 9.499 0.182 1.642 1.00 0.00 O ATOM 836 CB TYR A 51 6.375 -0.519 0.617 1.00 0.00 C ATOM 837 CG TYR A 51 6.619 0.841 -0.009 1.00 0.00 C ATOM 838 CD1 TYR A 51 6.075 1.993 0.543 1.00 0.00 C ATOM 839 CD2 TYR A 51 7.376 0.964 -1.168 1.00 0.00 C ATOM 840 CE1 TYR A 51 6.277 3.228 -0.046 1.00 0.00 C ATOM 841 CE2 TYR A 51 7.587 2.195 -1.758 1.00 0.00 C ATOM 842 CZ TYR A 51 7.035 3.322 -1.194 1.00 0.00 C ATOM 843 OH TYR A 51 7.232 4.547 -1.785 1.00 0.00 O ATOM 0 H TYR A 51 7.119 0.838 2.834 1.00 0.00 H new ATOM 0 HA TYR A 51 7.213 -1.981 1.944 1.00 0.00 H new ATOM 0 HB2 TYR A 51 6.402 -1.273 -0.170 1.00 0.00 H new ATOM 0 HB3 TYR A 51 5.369 -0.532 1.036 1.00 0.00 H new ATOM 0 HD1 TYR A 51 5.486 1.924 1.445 1.00 0.00 H new ATOM 0 HD2 TYR A 51 7.807 0.081 -1.616 1.00 0.00 H new ATOM 0 HE1 TYR A 51 5.843 4.115 0.391 1.00 0.00 H new ATOM 0 HE2 TYR A 51 8.182 2.272 -2.656 1.00 0.00 H new ATOM 0 HH TYR A 51 7.219 5.247 -1.099 1.00 0.00 H new ATOM 853 N PHE A 52 9.231 -1.662 0.375 1.00 0.00 N ATOM 854 CA PHE A 52 10.537 -1.577 -0.255 1.00 0.00 C ATOM 855 C PHE A 52 10.384 -1.767 -1.758 1.00 0.00 C ATOM 856 O PHE A 52 9.641 -2.641 -2.209 1.00 0.00 O ATOM 857 CB PHE A 52 11.493 -2.624 0.323 1.00 0.00 C ATOM 858 CG PHE A 52 12.882 -2.555 -0.257 1.00 0.00 C ATOM 859 CD1 PHE A 52 13.778 -1.587 0.174 1.00 0.00 C ATOM 860 CD2 PHE A 52 13.288 -3.448 -1.237 1.00 0.00 C ATOM 861 CE1 PHE A 52 15.052 -1.517 -0.357 1.00 0.00 C ATOM 862 CE2 PHE A 52 14.560 -3.381 -1.773 1.00 0.00 C ATOM 863 CZ PHE A 52 15.443 -2.414 -1.334 1.00 0.00 C ATOM 0 H PHE A 52 8.686 -2.478 0.097 1.00 0.00 H new ATOM 0 HA PHE A 52 10.963 -0.594 -0.056 1.00 0.00 H new ATOM 0 HB2 PHE A 52 11.552 -2.493 1.404 1.00 0.00 H new ATOM 0 HB3 PHE A 52 11.082 -3.618 0.144 1.00 0.00 H new ATOM 0 HD1 PHE A 52 13.476 -0.880 0.933 1.00 0.00 H new ATOM 0 HD2 PHE A 52 12.602 -4.205 -1.586 1.00 0.00 H new ATOM 0 HE1 PHE A 52 15.742 -0.762 -0.009 1.00 0.00 H new ATOM 0 HE2 PHE A 52 14.863 -4.084 -2.535 1.00 0.00 H new ATOM 0 HZ PHE A 52 16.437 -2.359 -1.753 1.00 0.00 H new ATOM 873 N GLN A 53 11.076 -0.943 -2.524 1.00 0.00 N ATOM 874 CA GLN A 53 10.985 -0.995 -3.973 1.00 0.00 C ATOM 875 C GLN A 53 12.372 -1.173 -4.584 1.00 0.00 C ATOM 876 O GLN A 53 13.220 -0.288 -4.473 1.00 0.00 O ATOM 877 CB GLN A 53 10.333 0.290 -4.499 1.00 0.00 C ATOM 878 CG GLN A 53 10.006 0.264 -5.986 1.00 0.00 C ATOM 879 CD GLN A 53 9.383 1.564 -6.464 1.00 0.00 C ATOM 880 OE1 GLN A 53 9.585 1.892 -7.729 1.00 0.00 O flip ATOM 881 NE2 GLN A 53 8.721 2.266 -5.700 1.00 0.00 N flip ATOM 0 H GLN A 53 11.709 -0.228 -2.166 1.00 0.00 H new ATOM 0 HA GLN A 53 10.369 -1.848 -4.259 1.00 0.00 H new ATOM 0 HB2 GLN A 53 9.415 0.473 -3.940 1.00 0.00 H new ATOM 0 HB3 GLN A 53 10.999 1.129 -4.300 1.00 0.00 H new ATOM 0 HG2 GLN A 53 10.917 0.071 -6.552 1.00 0.00 H new ATOM 0 HG3 GLN A 53 9.323 -0.560 -6.191 1.00 0.00 H new ATOM 0 HE21 GLN A 53 8.588 1.979 -4.730 1.00 0.00 H new ATOM 0 HE22 GLN A 53 8.306 3.135 -6.036 1.00 0.00 H new ATOM 890 N PRO A 54 12.634 -2.344 -5.186 1.00 0.00 N ATOM 891 CA PRO A 54 13.878 -2.590 -5.924 1.00 0.00 C ATOM 892 C PRO A 54 14.017 -1.645 -7.114 1.00 0.00 C ATOM 893 O PRO A 54 15.125 -1.269 -7.500 1.00 0.00 O ATOM 894 CB PRO A 54 13.742 -4.041 -6.405 1.00 0.00 C ATOM 895 CG PRO A 54 12.703 -4.646 -5.524 1.00 0.00 C ATOM 896 CD PRO A 54 11.765 -3.529 -5.162 1.00 0.00 C ATOM 0 HA PRO A 54 14.761 -2.424 -5.307 1.00 0.00 H new ATOM 0 HB2 PRO A 54 13.444 -4.083 -7.453 1.00 0.00 H new ATOM 0 HB3 PRO A 54 14.689 -4.574 -6.322 1.00 0.00 H new ATOM 0 HG2 PRO A 54 12.174 -5.448 -6.039 1.00 0.00 H new ATOM 0 HG3 PRO A 54 13.153 -5.082 -4.632 1.00 0.00 H new ATOM 0 HD2 PRO A 54 10.946 -3.443 -5.876 1.00 0.00 H new ATOM 0 HD3 PRO A 54 11.317 -3.681 -4.180 1.00 0.00 H new ATOM 904 N ASP A 55 12.876 -1.272 -7.691 1.00 0.00 N ATOM 905 CA ASP A 55 12.841 -0.291 -8.772 1.00 0.00 C ATOM 906 C ASP A 55 13.140 1.103 -8.213 1.00 0.00 C ATOM 907 O ASP A 55 12.998 1.334 -7.011 1.00 0.00 O ATOM 908 CB ASP A 55 11.474 -0.316 -9.466 1.00 0.00 C ATOM 909 CG ASP A 55 11.383 0.664 -10.621 1.00 0.00 C ATOM 910 OD1 ASP A 55 11.744 0.291 -11.754 1.00 0.00 O ATOM 911 OD2 ASP A 55 10.962 1.812 -10.390 1.00 0.00 O ATOM 0 H ASP A 55 11.961 -1.636 -7.426 1.00 0.00 H new ATOM 0 HA ASP A 55 13.602 -0.542 -9.511 1.00 0.00 H new ATOM 0 HB2 ASP A 55 11.277 -1.323 -9.833 1.00 0.00 H new ATOM 0 HB3 ASP A 55 10.697 -0.085 -8.737 1.00 0.00 H new ATOM 916 N GLY A 56 13.536 2.033 -9.071 1.00 0.00 N ATOM 917 CA GLY A 56 13.987 3.325 -8.592 1.00 0.00 C ATOM 918 C GLY A 56 13.052 4.473 -8.929 1.00 0.00 C ATOM 919 O GLY A 56 13.400 5.635 -8.710 1.00 0.00 O ATOM 0 H GLY A 56 13.553 1.918 -10.084 1.00 0.00 H new ATOM 0 HA2 GLY A 56 14.110 3.277 -7.510 1.00 0.00 H new ATOM 0 HA3 GLY A 56 14.969 3.535 -9.015 1.00 0.00 H new ATOM 923 N ALA A 57 11.873 4.179 -9.460 1.00 0.00 N ATOM 924 CA ALA A 57 10.938 5.237 -9.822 1.00 0.00 C ATOM 925 C ALA A 57 9.491 4.858 -9.517 1.00 0.00 C ATOM 926 O ALA A 57 8.872 4.079 -10.242 1.00 0.00 O ATOM 927 CB ALA A 57 11.094 5.598 -11.286 1.00 0.00 C ATOM 0 H ALA A 57 11.544 3.232 -9.648 1.00 0.00 H new ATOM 0 HA ALA A 57 11.178 6.107 -9.210 1.00 0.00 H new ATOM 0 HB1 ALA A 57 10.390 6.389 -11.543 1.00 0.00 H new ATOM 0 HB2 ALA A 57 12.111 5.944 -11.469 1.00 0.00 H new ATOM 0 HB3 ALA A 57 10.893 4.720 -11.901 1.00 0.00 H new ATOM 933 N GLY A 58 8.960 5.434 -8.446 1.00 0.00 N ATOM 934 CA GLY A 58 7.590 5.183 -8.049 1.00 0.00 C ATOM 935 C GLY A 58 7.220 5.991 -6.823 1.00 0.00 C ATOM 936 O GLY A 58 8.096 6.385 -6.053 1.00 0.00 O ATOM 0 H GLY A 58 9.464 6.080 -7.838 1.00 0.00 H new ATOM 0 HA2 GLY A 58 6.919 5.434 -8.870 1.00 0.00 H new ATOM 0 HA3 GLY A 58 7.457 4.121 -7.842 1.00 0.00 H new ATOM 940 N THR A 59 5.939 6.274 -6.639 1.00 0.00 N ATOM 941 CA THR A 59 5.501 7.014 -5.467 1.00 0.00 C ATOM 942 C THR A 59 4.193 6.461 -4.915 1.00 0.00 C ATOM 943 O THR A 59 3.150 6.556 -5.554 1.00 0.00 O ATOM 944 CB THR A 59 5.336 8.514 -5.791 1.00 0.00 C ATOM 945 OG1 THR A 59 6.603 9.068 -6.165 1.00 0.00 O ATOM 946 CG2 THR A 59 4.777 9.284 -4.601 1.00 0.00 C ATOM 0 H THR A 59 5.192 6.005 -7.279 1.00 0.00 H new ATOM 0 HA THR A 59 6.273 6.898 -4.707 1.00 0.00 H new ATOM 0 HB THR A 59 4.630 8.604 -6.616 1.00 0.00 H new ATOM 0 HG1 THR A 59 6.496 10.020 -6.372 1.00 0.00 H new ATOM 0 HG21 THR A 59 4.674 10.337 -4.865 1.00 0.00 H new ATOM 0 HG22 THR A 59 3.801 8.880 -4.332 1.00 0.00 H new ATOM 0 HG23 THR A 59 5.456 9.187 -3.754 1.00 0.00 H new ATOM 954 N LEU A 60 4.255 5.875 -3.731 1.00 0.00 N ATOM 955 CA LEU A 60 3.062 5.381 -3.065 1.00 0.00 C ATOM 956 C LEU A 60 2.587 6.402 -2.034 1.00 0.00 C ATOM 957 O LEU A 60 3.360 6.844 -1.188 1.00 0.00 O ATOM 958 CB LEU A 60 3.347 4.034 -2.393 1.00 0.00 C ATOM 959 CG LEU A 60 2.144 3.374 -1.713 1.00 0.00 C ATOM 960 CD1 LEU A 60 1.065 3.045 -2.736 1.00 0.00 C ATOM 961 CD2 LEU A 60 2.580 2.119 -0.972 1.00 0.00 C ATOM 0 H LEU A 60 5.120 5.730 -3.211 1.00 0.00 H new ATOM 0 HA LEU A 60 2.276 5.235 -3.806 1.00 0.00 H new ATOM 0 HB2 LEU A 60 3.740 3.348 -3.143 1.00 0.00 H new ATOM 0 HB3 LEU A 60 4.131 4.176 -1.649 1.00 0.00 H new ATOM 0 HG LEU A 60 1.726 4.075 -0.990 1.00 0.00 H new ATOM 0 HD11 LEU A 60 0.218 2.577 -2.234 1.00 0.00 H new ATOM 0 HD12 LEU A 60 0.735 3.962 -3.225 1.00 0.00 H new ATOM 0 HD13 LEU A 60 1.468 2.361 -3.483 1.00 0.00 H new ATOM 0 HD21 LEU A 60 1.715 1.660 -0.493 1.00 0.00 H new ATOM 0 HD22 LEU A 60 3.021 1.415 -1.677 1.00 0.00 H new ATOM 0 HD23 LEU A 60 3.317 2.382 -0.214 1.00 0.00 H new ATOM 973 N LYS A 61 1.327 6.796 -2.124 1.00 0.00 N ATOM 974 CA LYS A 61 0.774 7.777 -1.203 1.00 0.00 C ATOM 975 C LYS A 61 -0.340 7.163 -0.373 1.00 0.00 C ATOM 976 O LYS A 61 -0.988 6.208 -0.791 1.00 0.00 O ATOM 977 CB LYS A 61 0.244 8.994 -1.969 1.00 0.00 C ATOM 978 CG LYS A 61 1.308 9.709 -2.790 1.00 0.00 C ATOM 979 CD LYS A 61 0.744 10.919 -3.513 1.00 0.00 C ATOM 980 CE LYS A 61 1.826 11.653 -4.289 1.00 0.00 C ATOM 981 NZ LYS A 61 1.320 12.896 -4.924 1.00 0.00 N ATOM 0 H LYS A 61 0.669 6.453 -2.824 1.00 0.00 H new ATOM 0 HA LYS A 61 1.571 8.101 -0.534 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -0.560 8.674 -2.632 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -0.190 9.699 -1.259 1.00 0.00 H new ATOM 0 HG2 LYS A 61 2.122 10.023 -2.136 1.00 0.00 H new ATOM 0 HG3 LYS A 61 1.732 9.016 -3.517 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -0.045 10.602 -4.196 1.00 0.00 H new ATOM 0 HD3 LYS A 61 0.288 11.597 -2.791 1.00 0.00 H new ATOM 0 HE2 LYS A 61 2.648 11.900 -3.617 1.00 0.00 H new ATOM 0 HE3 LYS A 61 2.230 10.994 -5.057 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 2.093 13.361 -5.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 0.553 12.660 -5.586 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 0.959 13.538 -4.190 1.00 0.00 H new ATOM 995 N MET A 62 -0.550 7.710 0.810 1.00 0.00 N ATOM 996 CA MET A 62 -1.625 7.261 1.679 1.00 0.00 C ATOM 997 C MET A 62 -2.900 8.037 1.350 1.00 0.00 C ATOM 998 O MET A 62 -2.831 9.101 0.738 1.00 0.00 O ATOM 999 CB MET A 62 -1.234 7.476 3.146 1.00 0.00 C ATOM 1000 CG MET A 62 -2.185 6.830 4.145 1.00 0.00 C ATOM 1001 SD MET A 62 -1.789 7.248 5.853 1.00 0.00 S ATOM 1002 CE MET A 62 -0.126 6.594 5.993 1.00 0.00 C ATOM 0 H MET A 62 0.012 8.470 1.194 1.00 0.00 H new ATOM 0 HA MET A 62 -1.803 6.198 1.519 1.00 0.00 H new ATOM 0 HB2 MET A 62 -0.232 7.078 3.306 1.00 0.00 H new ATOM 0 HB3 MET A 62 -1.188 8.547 3.345 1.00 0.00 H new ATOM 0 HG2 MET A 62 -3.205 7.145 3.925 1.00 0.00 H new ATOM 0 HG3 MET A 62 -2.153 5.747 4.023 1.00 0.00 H new ATOM 0 HE1 MET A 62 0.160 6.550 7.044 1.00 0.00 H new ATOM 0 HE2 MET A 62 -0.092 5.592 5.565 1.00 0.00 H new ATOM 0 HE3 MET A 62 0.566 7.242 5.455 1.00 0.00 H new ATOM 1012 N SER A 63 -4.049 7.497 1.746 1.00 0.00 N ATOM 1013 CA SER A 63 -5.340 8.160 1.559 1.00 0.00 C ATOM 1014 C SER A 63 -5.329 9.620 2.027 1.00 0.00 C ATOM 1015 O SER A 63 -5.986 10.476 1.435 1.00 0.00 O ATOM 1016 CB SER A 63 -6.414 7.375 2.310 1.00 0.00 C ATOM 1017 OG SER A 63 -5.924 6.921 3.564 1.00 0.00 O ATOM 0 H SER A 63 -4.114 6.589 2.205 1.00 0.00 H new ATOM 0 HA SER A 63 -5.555 8.177 0.491 1.00 0.00 H new ATOM 0 HB2 SER A 63 -7.290 8.005 2.463 1.00 0.00 H new ATOM 0 HB3 SER A 63 -6.735 6.523 1.710 1.00 0.00 H new ATOM 0 HG SER A 63 -6.628 6.422 4.029 1.00 0.00 H new ATOM 1023 N ASP A 64 -4.566 9.897 3.078 1.00 0.00 N ATOM 1024 CA ASP A 64 -4.480 11.244 3.638 1.00 0.00 C ATOM 1025 C ASP A 64 -3.711 12.188 2.713 1.00 0.00 C ATOM 1026 O ASP A 64 -3.901 13.403 2.751 1.00 0.00 O ATOM 1027 CB ASP A 64 -3.810 11.198 5.015 1.00 0.00 C ATOM 1028 CG ASP A 64 -3.680 12.569 5.648 1.00 0.00 C ATOM 1029 OD1 ASP A 64 -4.717 13.216 5.892 1.00 0.00 O ATOM 1030 OD2 ASP A 64 -2.540 12.995 5.921 1.00 0.00 O ATOM 0 H ASP A 64 -3.995 9.205 3.563 1.00 0.00 H new ATOM 0 HA ASP A 64 -5.495 11.629 3.741 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -4.388 10.551 5.675 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -2.820 10.752 4.918 1.00 0.00 H new ATOM 1035 N GLY A 65 -2.866 11.620 1.864 1.00 0.00 N ATOM 1036 CA GLY A 65 -2.029 12.426 0.996 1.00 0.00 C ATOM 1037 C GLY A 65 -0.564 12.303 1.356 1.00 0.00 C ATOM 1038 O GLY A 65 0.304 12.838 0.669 1.00 0.00 O ATOM 0 H GLY A 65 -2.744 10.613 1.760 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -2.176 12.118 -0.039 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -2.334 13.470 1.064 1.00 0.00 H new ATOM 1042 N THR A 66 -0.299 11.605 2.450 1.00 0.00 N ATOM 1043 CA THR A 66 1.059 11.374 2.914 1.00 0.00 C ATOM 1044 C THR A 66 1.848 10.536 1.910 1.00 0.00 C ATOM 1045 O THR A 66 1.460 9.410 1.595 1.00 0.00 O ATOM 1046 CB THR A 66 1.046 10.646 4.271 1.00 0.00 C ATOM 1047 OG1 THR A 66 0.155 11.314 5.173 1.00 0.00 O ATOM 1048 CG2 THR A 66 2.442 10.590 4.876 1.00 0.00 C ATOM 0 H THR A 66 -1.018 11.184 3.039 1.00 0.00 H new ATOM 0 HA THR A 66 1.539 12.346 3.022 1.00 0.00 H new ATOM 0 HB THR A 66 0.702 9.625 4.106 1.00 0.00 H new ATOM 0 HG1 THR A 66 0.149 10.846 6.034 1.00 0.00 H new ATOM 0 HG21 THR A 66 2.403 10.071 5.834 1.00 0.00 H new ATOM 0 HG22 THR A 66 3.110 10.056 4.200 1.00 0.00 H new ATOM 0 HG23 THR A 66 2.814 11.603 5.028 1.00 0.00 H new ATOM 1056 N VAL A 67 2.938 11.093 1.401 1.00 0.00 N ATOM 1057 CA VAL A 67 3.824 10.356 0.514 1.00 0.00 C ATOM 1058 C VAL A 67 4.682 9.400 1.329 1.00 0.00 C ATOM 1059 O VAL A 67 5.340 9.805 2.287 1.00 0.00 O ATOM 1060 CB VAL A 67 4.726 11.300 -0.312 1.00 0.00 C ATOM 1061 CG1 VAL A 67 5.703 10.512 -1.175 1.00 0.00 C ATOM 1062 CG2 VAL A 67 3.879 12.225 -1.171 1.00 0.00 C ATOM 0 H VAL A 67 3.229 12.053 1.588 1.00 0.00 H new ATOM 0 HA VAL A 67 3.206 9.795 -0.187 1.00 0.00 H new ATOM 0 HB VAL A 67 5.308 11.905 0.383 1.00 0.00 H new ATOM 0 HG11 VAL A 67 6.324 11.203 -1.745 1.00 0.00 H new ATOM 0 HG12 VAL A 67 6.337 9.896 -0.537 1.00 0.00 H new ATOM 0 HG13 VAL A 67 5.148 9.873 -1.862 1.00 0.00 H new ATOM 0 HG21 VAL A 67 4.529 12.884 -1.747 1.00 0.00 H new ATOM 0 HG22 VAL A 67 3.269 11.632 -1.852 1.00 0.00 H new ATOM 0 HG23 VAL A 67 3.231 12.824 -0.531 1.00 0.00 H new ATOM 1072 N LEU A 68 4.651 8.131 0.964 1.00 0.00 N ATOM 1073 CA LEU A 68 5.357 7.108 1.715 1.00 0.00 C ATOM 1074 C LEU A 68 6.730 6.842 1.103 1.00 0.00 C ATOM 1075 O LEU A 68 6.844 6.575 -0.094 1.00 0.00 O ATOM 1076 CB LEU A 68 4.528 5.819 1.737 1.00 0.00 C ATOM 1077 CG LEU A 68 3.052 5.997 2.119 1.00 0.00 C ATOM 1078 CD1 LEU A 68 2.323 4.665 2.069 1.00 0.00 C ATOM 1079 CD2 LEU A 68 2.923 6.617 3.502 1.00 0.00 C ATOM 0 H LEU A 68 4.143 7.783 0.150 1.00 0.00 H new ATOM 0 HA LEU A 68 5.501 7.459 2.737 1.00 0.00 H new ATOM 0 HB2 LEU A 68 4.578 5.357 0.751 1.00 0.00 H new ATOM 0 HB3 LEU A 68 4.987 5.123 2.439 1.00 0.00 H new ATOM 0 HG LEU A 68 2.594 6.672 1.396 1.00 0.00 H new ATOM 0 HD11 LEU A 68 1.278 4.812 2.343 1.00 0.00 H new ATOM 0 HD12 LEU A 68 2.380 4.257 1.060 1.00 0.00 H new ATOM 0 HD13 LEU A 68 2.787 3.970 2.768 1.00 0.00 H new ATOM 0 HD21 LEU A 68 1.868 6.734 3.751 1.00 0.00 H new ATOM 0 HD22 LEU A 68 3.400 5.969 4.237 1.00 0.00 H new ATOM 0 HD23 LEU A 68 3.408 7.593 3.510 1.00 0.00 H new ATOM 1091 N LEU A 69 7.769 6.928 1.919 1.00 0.00 N ATOM 1092 CA LEU A 69 9.118 6.637 1.469 1.00 0.00 C ATOM 1093 C LEU A 69 9.473 5.186 1.774 1.00 0.00 C ATOM 1094 O LEU A 69 9.021 4.629 2.777 1.00 0.00 O ATOM 1095 CB LEU A 69 10.124 7.576 2.144 1.00 0.00 C ATOM 1096 CG LEU A 69 9.925 9.065 1.856 1.00 0.00 C ATOM 1097 CD1 LEU A 69 10.927 9.897 2.641 1.00 0.00 C ATOM 1098 CD2 LEU A 69 10.053 9.340 0.366 1.00 0.00 C ATOM 0 H LEU A 69 7.701 7.198 2.900 1.00 0.00 H new ATOM 0 HA LEU A 69 9.164 6.794 0.391 1.00 0.00 H new ATOM 0 HB2 LEU A 69 10.073 7.422 3.222 1.00 0.00 H new ATOM 0 HB3 LEU A 69 11.128 7.293 1.828 1.00 0.00 H new ATOM 0 HG LEU A 69 8.921 9.347 2.173 1.00 0.00 H new ATOM 0 HD11 LEU A 69 10.771 10.954 2.424 1.00 0.00 H new ATOM 0 HD12 LEU A 69 10.789 9.721 3.708 1.00 0.00 H new ATOM 0 HD13 LEU A 69 11.940 9.613 2.354 1.00 0.00 H new ATOM 0 HD21 LEU A 69 9.909 10.404 0.179 1.00 0.00 H new ATOM 0 HD22 LEU A 69 11.045 9.043 0.025 1.00 0.00 H new ATOM 0 HD23 LEU A 69 9.297 8.771 -0.175 1.00 0.00 H new ATOM 1110 N PRO A 70 10.272 4.549 0.907 1.00 0.00 N ATOM 1111 CA PRO A 70 10.715 3.171 1.117 1.00 0.00 C ATOM 1112 C PRO A 70 11.569 3.034 2.374 1.00 0.00 C ATOM 1113 O PRO A 70 12.370 3.918 2.688 1.00 0.00 O ATOM 1114 CB PRO A 70 11.545 2.857 -0.133 1.00 0.00 C ATOM 1115 CG PRO A 70 11.927 4.183 -0.693 1.00 0.00 C ATOM 1116 CD PRO A 70 10.804 5.115 -0.346 1.00 0.00 C ATOM 0 HA PRO A 70 9.876 2.490 1.259 1.00 0.00 H new ATOM 0 HB2 PRO A 70 12.427 2.267 0.118 1.00 0.00 H new ATOM 0 HB3 PRO A 70 10.968 2.277 -0.853 1.00 0.00 H new ATOM 0 HG2 PRO A 70 12.868 4.530 -0.267 1.00 0.00 H new ATOM 0 HG3 PRO A 70 12.067 4.125 -1.772 1.00 0.00 H new ATOM 0 HD2 PRO A 70 11.157 6.137 -0.208 1.00 0.00 H new ATOM 0 HD3 PRO A 70 10.046 5.142 -1.129 1.00 0.00 H new ATOM 1124 N ASN A 71 11.364 1.932 3.097 1.00 0.00 N ATOM 1125 CA ASN A 71 12.136 1.606 4.308 1.00 0.00 C ATOM 1126 C ASN A 71 11.749 2.476 5.504 1.00 0.00 C ATOM 1127 O ASN A 71 12.220 2.244 6.620 1.00 0.00 O ATOM 1128 CB ASN A 71 13.647 1.708 4.058 1.00 0.00 C ATOM 1129 CG ASN A 71 14.180 0.589 3.183 1.00 0.00 C ATOM 1130 OD1 ASN A 71 13.621 -0.601 3.325 1.00 0.00 O flip ATOM 1131 ND2 ASN A 71 15.099 0.790 2.390 1.00 0.00 N flip ATOM 0 H ASN A 71 10.657 1.235 2.863 1.00 0.00 H new ATOM 0 HA ASN A 71 11.887 0.573 4.552 1.00 0.00 H new ATOM 0 HB2 ASN A 71 13.868 2.666 3.588 1.00 0.00 H new ATOM 0 HB3 ASN A 71 14.170 1.694 5.014 1.00 0.00 H new ATOM 0 HD21 ASN A 71 15.506 1.721 2.307 1.00 0.00 H new ATOM 0 HD22 ASN A 71 15.453 0.025 1.816 1.00 0.00 H new ATOM 1138 N ASP A 72 10.890 3.459 5.288 1.00 0.00 N ATOM 1139 CA ASP A 72 10.412 4.296 6.382 1.00 0.00 C ATOM 1140 C ASP A 72 9.101 3.729 6.915 1.00 0.00 C ATOM 1141 O ASP A 72 8.404 3.004 6.205 1.00 0.00 O ATOM 1142 CB ASP A 72 10.236 5.748 5.923 1.00 0.00 C ATOM 1143 CG ASP A 72 9.989 6.698 7.082 1.00 0.00 C ATOM 1144 OD1 ASP A 72 10.345 6.352 8.227 1.00 0.00 O ATOM 1145 OD2 ASP A 72 9.469 7.809 6.850 1.00 0.00 O ATOM 0 H ASP A 72 10.510 3.698 4.372 1.00 0.00 H new ATOM 0 HA ASP A 72 11.152 4.295 7.183 1.00 0.00 H new ATOM 0 HB2 ASP A 72 11.127 6.065 5.381 1.00 0.00 H new ATOM 0 HB3 ASP A 72 9.401 5.806 5.225 1.00 0.00 H new ATOM 1150 N LEU A 73 8.769 4.048 8.155 1.00 0.00 N ATOM 1151 CA LEU A 73 7.610 3.455 8.808 1.00 0.00 C ATOM 1152 C LEU A 73 6.519 4.493 9.031 1.00 0.00 C ATOM 1153 O LEU A 73 6.755 5.546 9.627 1.00 0.00 O ATOM 1154 CB LEU A 73 8.012 2.831 10.143 1.00 0.00 C ATOM 1155 CG LEU A 73 6.935 1.966 10.802 1.00 0.00 C ATOM 1156 CD1 LEU A 73 6.633 0.752 9.937 1.00 0.00 C ATOM 1157 CD2 LEU A 73 7.370 1.537 12.195 1.00 0.00 C ATOM 0 H LEU A 73 9.284 4.714 8.731 1.00 0.00 H new ATOM 0 HA LEU A 73 7.218 2.676 8.153 1.00 0.00 H new ATOM 0 HB2 LEU A 73 8.902 2.222 9.989 1.00 0.00 H new ATOM 0 HB3 LEU A 73 8.288 3.629 10.832 1.00 0.00 H new ATOM 0 HG LEU A 73 6.025 2.558 10.898 1.00 0.00 H new ATOM 0 HD11 LEU A 73 5.865 0.145 10.417 1.00 0.00 H new ATOM 0 HD12 LEU A 73 6.278 1.080 8.960 1.00 0.00 H new ATOM 0 HD13 LEU A 73 7.539 0.159 9.813 1.00 0.00 H new ATOM 0 HD21 LEU A 73 6.591 0.923 12.647 1.00 0.00 H new ATOM 0 HD22 LEU A 73 8.292 0.960 12.127 1.00 0.00 H new ATOM 0 HD23 LEU A 73 7.539 2.420 12.811 1.00 0.00 H new ATOM 1169 N TYR A 74 5.324 4.185 8.548 1.00 0.00 N ATOM 1170 CA TYR A 74 4.181 5.078 8.693 1.00 0.00 C ATOM 1171 C TYR A 74 3.015 4.342 9.338 1.00 0.00 C ATOM 1172 O TYR A 74 2.832 3.149 9.110 1.00 0.00 O ATOM 1173 CB TYR A 74 3.749 5.618 7.328 1.00 0.00 C ATOM 1174 CG TYR A 74 4.854 6.316 6.578 1.00 0.00 C ATOM 1175 CD1 TYR A 74 5.150 7.650 6.824 1.00 0.00 C ATOM 1176 CD2 TYR A 74 5.601 5.637 5.625 1.00 0.00 C ATOM 1177 CE1 TYR A 74 6.165 8.288 6.141 1.00 0.00 C ATOM 1178 CE2 TYR A 74 6.618 6.267 4.941 1.00 0.00 C ATOM 1179 CZ TYR A 74 6.893 7.591 5.200 1.00 0.00 C ATOM 1180 OH TYR A 74 7.913 8.217 4.527 1.00 0.00 O ATOM 0 H TYR A 74 5.119 3.319 8.050 1.00 0.00 H new ATOM 0 HA TYR A 74 4.477 5.912 9.330 1.00 0.00 H new ATOM 0 HB2 TYR A 74 3.375 4.793 6.722 1.00 0.00 H new ATOM 0 HB3 TYR A 74 2.921 6.313 7.467 1.00 0.00 H new ATOM 0 HD1 TYR A 74 4.578 8.196 7.560 1.00 0.00 H new ATOM 0 HD2 TYR A 74 5.382 4.600 5.417 1.00 0.00 H new ATOM 0 HE1 TYR A 74 6.388 9.326 6.342 1.00 0.00 H new ATOM 0 HE2 TYR A 74 7.196 5.726 4.206 1.00 0.00 H new ATOM 0 HH TYR A 74 8.711 8.245 5.095 1.00 0.00 H new ATOM 1190 N PRO A 75 2.225 5.029 10.170 1.00 0.00 N ATOM 1191 CA PRO A 75 1.028 4.457 10.777 1.00 0.00 C ATOM 1192 C PRO A 75 -0.174 4.504 9.832 1.00 0.00 C ATOM 1193 O PRO A 75 -0.355 5.468 9.087 1.00 0.00 O ATOM 1194 CB PRO A 75 0.776 5.352 12.002 1.00 0.00 C ATOM 1195 CG PRO A 75 1.877 6.371 12.009 1.00 0.00 C ATOM 1196 CD PRO A 75 2.437 6.404 10.618 1.00 0.00 C ATOM 0 HA PRO A 75 1.163 3.404 11.026 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -0.200 5.834 11.938 1.00 0.00 H new ATOM 0 HB3 PRO A 75 0.783 4.765 12.921 1.00 0.00 H new ATOM 0 HG2 PRO A 75 1.497 7.351 12.297 1.00 0.00 H new ATOM 0 HG3 PRO A 75 2.648 6.104 12.731 1.00 0.00 H new ATOM 0 HD2 PRO A 75 1.916 7.123 9.986 1.00 0.00 H new ATOM 0 HD3 PRO A 75 3.492 6.677 10.610 1.00 0.00 H new ATOM 1204 N LEU A 76 -0.987 3.458 9.863 1.00 0.00 N ATOM 1205 CA LEU A 76 -2.188 3.397 9.040 1.00 0.00 C ATOM 1206 C LEU A 76 -3.337 4.129 9.727 1.00 0.00 C ATOM 1207 O LEU A 76 -3.469 4.075 10.948 1.00 0.00 O ATOM 1208 CB LEU A 76 -2.571 1.938 8.759 1.00 0.00 C ATOM 1209 CG LEU A 76 -1.549 1.148 7.938 1.00 0.00 C ATOM 1210 CD1 LEU A 76 -1.995 -0.297 7.782 1.00 0.00 C ATOM 1211 CD2 LEU A 76 -1.351 1.796 6.575 1.00 0.00 C ATOM 0 H LEU A 76 -0.837 2.638 10.450 1.00 0.00 H new ATOM 0 HA LEU A 76 -1.984 3.888 8.088 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -2.723 1.428 9.710 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -3.526 1.923 8.234 1.00 0.00 H new ATOM 0 HG LEU A 76 -0.596 1.158 8.467 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -1.257 -0.844 7.196 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -2.090 -0.757 8.766 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -2.958 -0.328 7.272 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -0.622 1.223 6.002 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -2.300 1.814 6.039 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -0.989 2.816 6.706 1.00 0.00 H new ATOM 1223 N PRO A 77 -4.181 4.824 8.949 1.00 0.00 N ATOM 1224 CA PRO A 77 -5.268 5.650 9.493 1.00 0.00 C ATOM 1225 C PRO A 77 -6.424 4.832 10.072 1.00 0.00 C ATOM 1226 O PRO A 77 -7.334 5.385 10.693 1.00 0.00 O ATOM 1227 CB PRO A 77 -5.739 6.451 8.278 1.00 0.00 C ATOM 1228 CG PRO A 77 -5.408 5.590 7.109 1.00 0.00 C ATOM 1229 CD PRO A 77 -4.142 4.864 7.475 1.00 0.00 C ATOM 0 HA PRO A 77 -4.924 6.259 10.329 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -6.808 6.656 8.329 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -5.232 7.414 8.217 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -6.215 4.887 6.901 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -5.268 6.190 6.210 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -4.116 3.862 7.047 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -3.259 5.389 7.111 1.00 0.00 H new ATOM 1237 N GLY A 78 -6.390 3.523 9.862 1.00 0.00 N ATOM 1238 CA GLY A 78 -7.432 2.662 10.381 1.00 0.00 C ATOM 1239 C GLY A 78 -7.528 1.363 9.612 1.00 0.00 C ATOM 1240 O GLY A 78 -6.686 1.081 8.758 1.00 0.00 O ATOM 0 H GLY A 78 -5.657 3.042 9.340 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -7.236 2.448 11.432 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -8.389 3.182 10.335 1.00 0.00 H new ATOM 1244 N GLU A 79 -8.550 0.571 9.924 1.00 0.00 N ATOM 1245 CA GLU A 79 -8.773 -0.709 9.256 1.00 0.00 C ATOM 1246 C GLU A 79 -9.135 -0.507 7.787 1.00 0.00 C ATOM 1247 O GLU A 79 -8.706 -1.270 6.919 1.00 0.00 O ATOM 1248 CB GLU A 79 -9.893 -1.506 9.942 1.00 0.00 C ATOM 1249 CG GLU A 79 -9.726 -1.674 11.446 1.00 0.00 C ATOM 1250 CD GLU A 79 -10.277 -0.500 12.232 1.00 0.00 C ATOM 1251 OE1 GLU A 79 -11.472 -0.531 12.589 1.00 0.00 O ATOM 1252 OE2 GLU A 79 -9.523 0.456 12.493 1.00 0.00 O ATOM 0 H GLU A 79 -9.241 0.795 10.640 1.00 0.00 H new ATOM 0 HA GLU A 79 -7.841 -1.270 9.323 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -10.844 -1.010 9.749 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -9.950 -2.493 9.484 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -10.230 -2.587 11.763 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -8.668 -1.797 11.678 1.00 0.00 H new ATOM 1259 N THR A 80 -9.929 0.517 7.515 1.00 0.00 N ATOM 1260 CA THR A 80 -10.387 0.798 6.165 1.00 0.00 C ATOM 1261 C THR A 80 -9.682 2.024 5.597 1.00 0.00 C ATOM 1262 O THR A 80 -9.819 3.132 6.121 1.00 0.00 O ATOM 1263 CB THR A 80 -11.912 1.015 6.138 1.00 0.00 C ATOM 1264 OG1 THR A 80 -12.303 1.868 7.226 1.00 0.00 O ATOM 1265 CG2 THR A 80 -12.652 -0.314 6.230 1.00 0.00 C ATOM 0 H THR A 80 -10.271 1.172 8.218 1.00 0.00 H new ATOM 0 HA THR A 80 -10.143 -0.066 5.546 1.00 0.00 H new ATOM 0 HB THR A 80 -12.175 1.490 5.193 1.00 0.00 H new ATOM 0 HG1 THR A 80 -11.684 2.625 7.287 1.00 0.00 H new ATOM 0 HG21 THR A 80 -13.727 -0.134 6.209 1.00 0.00 H new ATOM 0 HG22 THR A 80 -12.373 -0.945 5.386 1.00 0.00 H new ATOM 0 HG23 THR A 80 -12.386 -0.815 7.161 1.00 0.00 H new ATOM 1273 N PHE A 81 -8.914 1.822 4.536 1.00 0.00 N ATOM 1274 CA PHE A 81 -8.191 2.916 3.907 1.00 0.00 C ATOM 1275 C PHE A 81 -7.902 2.612 2.441 1.00 0.00 C ATOM 1276 O PHE A 81 -8.370 1.611 1.893 1.00 0.00 O ATOM 1277 CB PHE A 81 -6.883 3.204 4.660 1.00 0.00 C ATOM 1278 CG PHE A 81 -5.913 2.053 4.693 1.00 0.00 C ATOM 1279 CD1 PHE A 81 -6.091 1.006 5.583 1.00 0.00 C ATOM 1280 CD2 PHE A 81 -4.819 2.026 3.842 1.00 0.00 C ATOM 1281 CE1 PHE A 81 -5.197 -0.046 5.624 1.00 0.00 C ATOM 1282 CE2 PHE A 81 -3.922 0.977 3.877 1.00 0.00 C ATOM 1283 CZ PHE A 81 -4.113 -0.061 4.769 1.00 0.00 C ATOM 0 H PHE A 81 -8.776 0.913 4.094 1.00 0.00 H new ATOM 0 HA PHE A 81 -8.822 3.803 3.952 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -6.394 4.061 4.197 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -7.124 3.489 5.684 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -6.939 1.013 6.252 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -4.667 2.835 3.143 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -5.346 -0.855 6.324 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -3.073 0.968 3.209 1.00 0.00 H new ATOM 0 HZ PHE A 81 -3.414 -0.884 4.797 1.00 0.00 H new ATOM 1293 N ARG A 82 -7.144 3.494 1.811 1.00 0.00 N ATOM 1294 CA ARG A 82 -6.748 3.333 0.422 1.00 0.00 C ATOM 1295 C ARG A 82 -5.370 3.941 0.201 1.00 0.00 C ATOM 1296 O ARG A 82 -5.014 4.944 0.824 1.00 0.00 O ATOM 1297 CB ARG A 82 -7.773 3.978 -0.521 1.00 0.00 C ATOM 1298 CG ARG A 82 -8.391 5.255 0.027 1.00 0.00 C ATOM 1299 CD ARG A 82 -9.106 6.063 -1.047 1.00 0.00 C ATOM 1300 NE ARG A 82 -10.049 5.272 -1.841 1.00 0.00 N ATOM 1301 CZ ARG A 82 -11.372 5.310 -1.683 1.00 0.00 C ATOM 1302 NH1 ARG A 82 -11.905 5.963 -0.658 1.00 0.00 N ATOM 1303 NH2 ARG A 82 -12.155 4.683 -2.550 1.00 0.00 N ATOM 0 H ARG A 82 -6.786 4.343 2.249 1.00 0.00 H new ATOM 0 HA ARG A 82 -6.708 2.267 0.197 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -7.289 4.199 -1.473 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -8.567 3.260 -0.726 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -9.097 5.003 0.818 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -7.611 5.868 0.479 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -9.642 6.886 -0.575 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -8.364 6.505 -1.712 1.00 0.00 H new ATOM 0 HE ARG A 82 -9.670 4.654 -2.559 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -11.302 6.439 0.013 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -12.918 5.989 -0.541 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -11.744 4.175 -3.333 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -13.168 4.709 -2.434 1.00 0.00 H new ATOM 1317 N LEU A 83 -4.595 3.320 -0.665 1.00 0.00 N ATOM 1318 CA LEU A 83 -3.269 3.813 -0.994 1.00 0.00 C ATOM 1319 C LEU A 83 -3.246 4.335 -2.419 1.00 0.00 C ATOM 1320 O LEU A 83 -3.507 3.596 -3.363 1.00 0.00 O ATOM 1321 CB LEU A 83 -2.231 2.703 -0.827 1.00 0.00 C ATOM 1322 CG LEU A 83 -2.096 2.151 0.591 1.00 0.00 C ATOM 1323 CD1 LEU A 83 -1.113 0.992 0.616 1.00 0.00 C ATOM 1324 CD2 LEU A 83 -1.656 3.245 1.554 1.00 0.00 C ATOM 0 H LEU A 83 -4.861 2.467 -1.157 1.00 0.00 H new ATOM 0 HA LEU A 83 -3.022 4.628 -0.313 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -2.488 1.882 -1.497 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -1.261 3.083 -1.146 1.00 0.00 H new ATOM 0 HG LEU A 83 -3.071 1.786 0.912 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -1.027 0.609 1.633 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -1.469 0.199 -0.041 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -0.137 1.336 0.274 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -1.566 2.831 2.558 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -0.692 3.642 1.237 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -2.395 4.046 1.557 1.00 0.00 H new ATOM 1336 N TYR A 84 -2.938 5.608 -2.575 1.00 0.00 N ATOM 1337 CA TYR A 84 -2.889 6.217 -3.890 1.00 0.00 C ATOM 1338 C TYR A 84 -1.514 6.033 -4.501 1.00 0.00 C ATOM 1339 O TYR A 84 -0.581 6.773 -4.190 1.00 0.00 O ATOM 1340 CB TYR A 84 -3.215 7.710 -3.816 1.00 0.00 C ATOM 1341 CG TYR A 84 -4.619 8.018 -3.355 1.00 0.00 C ATOM 1342 CD1 TYR A 84 -5.709 7.796 -4.188 1.00 0.00 C ATOM 1343 CD2 TYR A 84 -4.852 8.543 -2.094 1.00 0.00 C ATOM 1344 CE1 TYR A 84 -6.991 8.088 -3.774 1.00 0.00 C ATOM 1345 CE2 TYR A 84 -6.132 8.838 -1.672 1.00 0.00 C ATOM 1346 CZ TYR A 84 -7.197 8.608 -2.515 1.00 0.00 C ATOM 1347 OH TYR A 84 -8.472 8.894 -2.098 1.00 0.00 O ATOM 0 H TYR A 84 -2.718 6.241 -1.806 1.00 0.00 H new ATOM 0 HA TYR A 84 -3.635 5.726 -4.514 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -2.509 8.191 -3.139 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -3.063 8.152 -4.801 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -5.549 7.388 -5.175 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -4.019 8.724 -1.431 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -7.828 7.910 -4.432 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -6.298 9.247 -0.686 1.00 0.00 H new ATOM 0 HH TYR A 84 -8.445 9.253 -1.186 1.00 0.00 H new ATOM 1357 N TYR A 85 -1.370 5.030 -5.348 1.00 0.00 N ATOM 1358 CA TYR A 85 -0.110 4.833 -6.024 1.00 0.00 C ATOM 1359 C TYR A 85 0.002 5.771 -7.214 1.00 0.00 C ATOM 1360 O TYR A 85 -0.859 5.792 -8.092 1.00 0.00 O ATOM 1361 CB TYR A 85 0.087 3.384 -6.483 1.00 0.00 C ATOM 1362 CG TYR A 85 1.352 3.223 -7.294 1.00 0.00 C ATOM 1363 CD1 TYR A 85 2.604 3.352 -6.698 1.00 0.00 C ATOM 1364 CD2 TYR A 85 1.295 2.997 -8.661 1.00 0.00 C ATOM 1365 CE1 TYR A 85 3.760 3.265 -7.448 1.00 0.00 C ATOM 1366 CE2 TYR A 85 2.446 2.894 -9.412 1.00 0.00 C ATOM 1367 CZ TYR A 85 3.675 3.036 -8.804 1.00 0.00 C ATOM 1368 OH TYR A 85 4.820 2.976 -9.561 1.00 0.00 O ATOM 0 H TYR A 85 -2.097 4.353 -5.578 1.00 0.00 H new ATOM 0 HA TYR A 85 0.677 5.058 -5.304 1.00 0.00 H new ATOM 0 HB2 TYR A 85 0.126 2.729 -5.613 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -0.770 3.071 -7.079 1.00 0.00 H new ATOM 0 HD1 TYR A 85 2.672 3.523 -5.634 1.00 0.00 H new ATOM 0 HD2 TYR A 85 0.334 2.900 -9.144 1.00 0.00 H new ATOM 0 HE1 TYR A 85 4.725 3.376 -6.975 1.00 0.00 H new ATOM 0 HE2 TYR A 85 2.385 2.703 -10.473 1.00 0.00 H new ATOM 0 HH TYR A 85 5.309 2.153 -9.350 1.00 0.00 H new ATOM 1378 N THR A 86 1.059 6.558 -7.220 1.00 0.00 N ATOM 1379 CA THR A 86 1.364 7.428 -8.335 1.00 0.00 C ATOM 1380 C THR A 86 2.419 6.764 -9.214 1.00 0.00 C ATOM 1381 O THR A 86 3.577 6.596 -8.805 1.00 0.00 O ATOM 1382 CB THR A 86 1.858 8.799 -7.842 1.00 0.00 C ATOM 1383 OG1 THR A 86 0.948 9.304 -6.853 1.00 0.00 O ATOM 1384 CG2 THR A 86 1.957 9.786 -8.996 1.00 0.00 C ATOM 0 H THR A 86 1.729 6.612 -6.453 1.00 0.00 H new ATOM 0 HA THR A 86 0.457 7.592 -8.917 1.00 0.00 H new ATOM 0 HB THR A 86 2.850 8.677 -7.407 1.00 0.00 H new ATOM 0 HG1 THR A 86 1.062 10.274 -6.768 1.00 0.00 H new ATOM 0 HG21 THR A 86 2.308 10.748 -8.623 1.00 0.00 H new ATOM 0 HG22 THR A 86 2.658 9.407 -9.740 1.00 0.00 H new ATOM 0 HG23 THR A 86 0.975 9.911 -9.453 1.00 0.00 H new ATOM 1392 N SER A 87 1.998 6.350 -10.400 1.00 0.00 N ATOM 1393 CA SER A 87 2.858 5.611 -11.307 1.00 0.00 C ATOM 1394 C SER A 87 3.913 6.517 -11.926 1.00 0.00 C ATOM 1395 O SER A 87 3.596 7.390 -12.731 1.00 0.00 O ATOM 1396 CB SER A 87 2.015 4.968 -12.409 1.00 0.00 C ATOM 1397 OG SER A 87 0.894 4.295 -11.863 1.00 0.00 O ATOM 0 H SER A 87 1.057 6.516 -10.757 1.00 0.00 H new ATOM 0 HA SER A 87 3.369 4.835 -10.737 1.00 0.00 H new ATOM 0 HB2 SER A 87 1.679 5.734 -13.108 1.00 0.00 H new ATOM 0 HB3 SER A 87 2.626 4.265 -12.975 1.00 0.00 H new ATOM 0 HG SER A 87 1.150 3.861 -11.023 1.00 0.00 H new ATOM 1403 N ALA A 88 5.162 6.324 -11.536 1.00 0.00 N ATOM 1404 CA ALA A 88 6.261 7.064 -12.134 1.00 0.00 C ATOM 1405 C ALA A 88 6.857 6.278 -13.289 1.00 0.00 C ATOM 1406 O ALA A 88 7.573 6.827 -14.129 1.00 0.00 O ATOM 1407 CB ALA A 88 7.323 7.379 -11.095 1.00 0.00 C ATOM 0 H ALA A 88 5.440 5.663 -10.810 1.00 0.00 H new ATOM 0 HA ALA A 88 5.875 8.007 -12.520 1.00 0.00 H new ATOM 0 HB1 ALA A 88 8.137 7.933 -11.563 1.00 0.00 H new ATOM 0 HB2 ALA A 88 6.885 7.981 -10.298 1.00 0.00 H new ATOM 0 HB3 ALA A 88 7.710 6.450 -10.677 1.00 0.00 H new ATOM 1413 N SER A 89 6.546 4.991 -13.330 1.00 0.00 N ATOM 1414 CA SER A 89 7.040 4.115 -14.376 1.00 0.00 C ATOM 1415 C SER A 89 5.929 3.198 -14.879 1.00 0.00 C ATOM 1416 O SER A 89 5.080 2.755 -14.105 1.00 0.00 O ATOM 1417 CB SER A 89 8.198 3.269 -13.844 1.00 0.00 C ATOM 1418 OG SER A 89 9.181 4.079 -13.222 1.00 0.00 O ATOM 0 H SER A 89 5.949 4.529 -12.644 1.00 0.00 H new ATOM 0 HA SER A 89 7.389 4.732 -15.204 1.00 0.00 H new ATOM 0 HB2 SER A 89 7.820 2.538 -13.129 1.00 0.00 H new ATOM 0 HB3 SER A 89 8.649 2.709 -14.663 1.00 0.00 H new ATOM 0 HG SER A 89 8.978 4.164 -12.267 1.00 0.00 H new ATOM 1424 N THR A 90 5.931 2.937 -16.175 1.00 0.00 N ATOM 1425 CA THR A 90 5.048 1.949 -16.761 1.00 0.00 C ATOM 1426 C THR A 90 5.866 0.697 -17.109 1.00 0.00 C ATOM 1427 O THR A 90 5.336 -0.315 -17.571 1.00 0.00 O ATOM 1428 CB THR A 90 4.332 2.522 -18.010 1.00 0.00 C ATOM 1429 OG1 THR A 90 3.626 3.721 -17.651 1.00 0.00 O ATOM 1430 CG2 THR A 90 3.341 1.532 -18.599 1.00 0.00 C ATOM 0 H THR A 90 6.542 3.402 -16.846 1.00 0.00 H new ATOM 0 HA THR A 90 4.272 1.679 -16.044 1.00 0.00 H new ATOM 0 HB THR A 90 5.096 2.731 -18.759 1.00 0.00 H new ATOM 0 HG1 THR A 90 2.701 3.498 -17.415 1.00 0.00 H new ATOM 0 HG21 THR A 90 2.861 1.973 -19.473 1.00 0.00 H new ATOM 0 HG22 THR A 90 3.866 0.623 -18.894 1.00 0.00 H new ATOM 0 HG23 THR A 90 2.584 1.288 -17.854 1.00 0.00 H new ATOM 1438 N ASP A 91 7.173 0.783 -16.855 1.00 0.00 N ATOM 1439 CA ASP A 91 8.082 -0.347 -17.041 1.00 0.00 C ATOM 1440 C ASP A 91 7.798 -1.419 -16.001 1.00 0.00 C ATOM 1441 O ASP A 91 6.957 -1.226 -15.119 1.00 0.00 O ATOM 1442 CB ASP A 91 9.540 0.102 -16.912 1.00 0.00 C ATOM 1443 CG ASP A 91 9.928 1.148 -17.933 1.00 0.00 C ATOM 1444 OD1 ASP A 91 9.768 2.350 -17.644 1.00 0.00 O ATOM 1445 OD2 ASP A 91 10.406 0.777 -19.025 1.00 0.00 O ATOM 0 H ASP A 91 7.628 1.631 -16.517 1.00 0.00 H new ATOM 0 HA ASP A 91 7.921 -0.750 -18.041 1.00 0.00 H new ATOM 0 HB2 ASP A 91 9.705 0.501 -15.911 1.00 0.00 H new ATOM 0 HB3 ASP A 91 10.192 -0.764 -17.021 1.00 0.00 H new ATOM 1450 N GLN A 92 8.500 -2.543 -16.084 1.00 0.00 N ATOM 1451 CA GLN A 92 8.270 -3.623 -15.142 1.00 0.00 C ATOM 1452 C GLN A 92 8.876 -3.285 -13.792 1.00 0.00 C ATOM 1453 O GLN A 92 10.089 -3.380 -13.589 1.00 0.00 O ATOM 1454 CB GLN A 92 8.825 -4.948 -15.662 1.00 0.00 C ATOM 1455 CG GLN A 92 8.456 -6.131 -14.782 1.00 0.00 C ATOM 1456 CD GLN A 92 8.828 -7.463 -15.395 1.00 0.00 C ATOM 1457 OE1 GLN A 92 9.921 -7.983 -15.173 1.00 0.00 O ATOM 1458 NE2 GLN A 92 7.914 -8.027 -16.171 1.00 0.00 N ATOM 0 H GLN A 92 9.221 -2.726 -16.782 1.00 0.00 H new ATOM 0 HA GLN A 92 7.193 -3.739 -15.025 1.00 0.00 H new ATOM 0 HB2 GLN A 92 8.451 -5.122 -16.671 1.00 0.00 H new ATOM 0 HB3 GLN A 92 9.911 -4.879 -15.732 1.00 0.00 H new ATOM 0 HG2 GLN A 92 8.955 -6.029 -13.818 1.00 0.00 H new ATOM 0 HG3 GLN A 92 7.383 -6.113 -14.590 1.00 0.00 H new ATOM 0 HE21 GLN A 92 7.020 -7.561 -16.328 1.00 0.00 H new ATOM 0 HE22 GLN A 92 8.104 -8.927 -16.611 1.00 0.00 H new ATOM 1467 N GLN A 93 8.020 -2.887 -12.879 1.00 0.00 N ATOM 1468 CA GLN A 93 8.438 -2.513 -11.544 1.00 0.00 C ATOM 1469 C GLN A 93 7.824 -3.447 -10.521 1.00 0.00 C ATOM 1470 O GLN A 93 6.721 -3.953 -10.715 1.00 0.00 O ATOM 1471 CB GLN A 93 8.027 -1.075 -11.245 1.00 0.00 C ATOM 1472 CG GLN A 93 6.555 -0.803 -11.500 1.00 0.00 C ATOM 1473 CD GLN A 93 6.107 0.528 -10.946 1.00 0.00 C ATOM 1474 OE1 GLN A 93 6.626 1.002 -9.936 1.00 0.00 O ATOM 1475 NE2 GLN A 93 5.145 1.150 -11.608 1.00 0.00 N ATOM 0 H GLN A 93 7.015 -2.813 -13.039 1.00 0.00 H new ATOM 0 HA GLN A 93 9.524 -2.590 -11.487 1.00 0.00 H new ATOM 0 HB2 GLN A 93 8.256 -0.849 -10.204 1.00 0.00 H new ATOM 0 HB3 GLN A 93 8.625 -0.399 -11.857 1.00 0.00 H new ATOM 0 HG2 GLN A 93 6.365 -0.828 -12.573 1.00 0.00 H new ATOM 0 HG3 GLN A 93 5.959 -1.598 -11.052 1.00 0.00 H new ATOM 0 HE21 GLN A 93 4.741 0.723 -12.441 1.00 0.00 H new ATOM 0 HE22 GLN A 93 4.808 2.057 -11.285 1.00 0.00 H new ATOM 1484 N THR A 94 8.543 -3.671 -9.441 1.00 0.00 N ATOM 1485 CA THR A 94 8.084 -4.549 -8.385 1.00 0.00 C ATOM 1486 C THR A 94 8.087 -3.810 -7.056 1.00 0.00 C ATOM 1487 O THR A 94 9.135 -3.344 -6.611 1.00 0.00 O ATOM 1488 CB THR A 94 8.992 -5.789 -8.281 1.00 0.00 C ATOM 1489 OG1 THR A 94 9.118 -6.411 -9.568 1.00 0.00 O ATOM 1490 CG2 THR A 94 8.434 -6.794 -7.285 1.00 0.00 C ATOM 0 H THR A 94 9.457 -3.252 -9.271 1.00 0.00 H new ATOM 0 HA THR A 94 7.070 -4.870 -8.622 1.00 0.00 H new ATOM 0 HB THR A 94 9.972 -5.463 -7.932 1.00 0.00 H new ATOM 0 HG1 THR A 94 9.698 -7.198 -9.496 1.00 0.00 H new ATOM 0 HG21 THR A 94 9.095 -7.659 -7.232 1.00 0.00 H new ATOM 0 HG22 THR A 94 8.363 -6.330 -6.301 1.00 0.00 H new ATOM 0 HG23 THR A 94 7.443 -7.114 -7.607 1.00 0.00 H new ATOM 1498 N VAL A 95 6.925 -3.675 -6.431 1.00 0.00 N ATOM 1499 CA VAL A 95 6.852 -3.009 -5.142 1.00 0.00 C ATOM 1500 C VAL A 95 6.356 -3.979 -4.082 1.00 0.00 C ATOM 1501 O VAL A 95 5.291 -4.577 -4.227 1.00 0.00 O ATOM 1502 CB VAL A 95 5.926 -1.775 -5.184 1.00 0.00 C ATOM 1503 CG1 VAL A 95 5.951 -1.030 -3.858 1.00 0.00 C ATOM 1504 CG2 VAL A 95 6.310 -0.845 -6.324 1.00 0.00 C ATOM 0 H VAL A 95 6.033 -4.013 -6.791 1.00 0.00 H new ATOM 0 HA VAL A 95 7.857 -2.668 -4.893 1.00 0.00 H new ATOM 0 HB VAL A 95 4.910 -2.128 -5.358 1.00 0.00 H new ATOM 0 HG11 VAL A 95 5.290 -0.165 -3.914 1.00 0.00 H new ATOM 0 HG12 VAL A 95 5.613 -1.693 -3.062 1.00 0.00 H new ATOM 0 HG13 VAL A 95 6.967 -0.697 -3.647 1.00 0.00 H new ATOM 0 HG21 VAL A 95 5.642 0.016 -6.331 1.00 0.00 H new ATOM 0 HG22 VAL A 95 7.337 -0.507 -6.187 1.00 0.00 H new ATOM 0 HG23 VAL A 95 6.226 -1.377 -7.272 1.00 0.00 H new ATOM 1514 N ASP A 96 7.140 -4.145 -3.029 1.00 0.00 N ATOM 1515 CA ASP A 96 6.793 -5.066 -1.959 1.00 0.00 C ATOM 1516 C ASP A 96 6.422 -4.280 -0.710 1.00 0.00 C ATOM 1517 O ASP A 96 7.272 -3.623 -0.103 1.00 0.00 O ATOM 1518 CB ASP A 96 7.971 -6.001 -1.674 1.00 0.00 C ATOM 1519 CG ASP A 96 7.582 -7.206 -0.841 1.00 0.00 C ATOM 1520 OD1 ASP A 96 6.375 -7.497 -0.733 1.00 0.00 O ATOM 1521 OD2 ASP A 96 8.493 -7.892 -0.323 1.00 0.00 O ATOM 0 H ASP A 96 8.023 -3.653 -2.892 1.00 0.00 H new ATOM 0 HA ASP A 96 5.937 -5.669 -2.262 1.00 0.00 H new ATOM 0 HB2 ASP A 96 8.395 -6.341 -2.619 1.00 0.00 H new ATOM 0 HB3 ASP A 96 8.752 -5.445 -1.156 1.00 0.00 H new ATOM 1526 N VAL A 97 5.152 -4.327 -0.345 1.00 0.00 N ATOM 1527 CA VAL A 97 4.645 -3.533 0.766 1.00 0.00 C ATOM 1528 C VAL A 97 4.444 -4.395 2.006 1.00 0.00 C ATOM 1529 O VAL A 97 3.700 -5.375 1.976 1.00 0.00 O ATOM 1530 CB VAL A 97 3.309 -2.843 0.409 1.00 0.00 C ATOM 1531 CG1 VAL A 97 2.849 -1.945 1.547 1.00 0.00 C ATOM 1532 CG2 VAL A 97 3.441 -2.049 -0.882 1.00 0.00 C ATOM 0 H VAL A 97 4.449 -4.908 -0.802 1.00 0.00 H new ATOM 0 HA VAL A 97 5.392 -2.767 0.973 1.00 0.00 H new ATOM 0 HB VAL A 97 2.556 -3.616 0.257 1.00 0.00 H new ATOM 0 HG11 VAL A 97 1.907 -1.468 1.276 1.00 0.00 H new ATOM 0 HG12 VAL A 97 2.708 -2.542 2.448 1.00 0.00 H new ATOM 0 HG13 VAL A 97 3.602 -1.180 1.734 1.00 0.00 H new ATOM 0 HG21 VAL A 97 2.489 -1.572 -1.114 1.00 0.00 H new ATOM 0 HG22 VAL A 97 4.210 -1.286 -0.763 1.00 0.00 H new ATOM 0 HG23 VAL A 97 3.719 -2.720 -1.695 1.00 0.00 H new ATOM 1542 N TYR A 98 5.103 -4.024 3.093 1.00 0.00 N ATOM 1543 CA TYR A 98 4.980 -4.764 4.337 1.00 0.00 C ATOM 1544 C TYR A 98 4.031 -4.051 5.287 1.00 0.00 C ATOM 1545 O TYR A 98 4.205 -2.867 5.587 1.00 0.00 O ATOM 1546 CB TYR A 98 6.347 -4.932 5.005 1.00 0.00 C ATOM 1547 CG TYR A 98 7.376 -5.579 4.111 1.00 0.00 C ATOM 1548 CD1 TYR A 98 7.400 -6.952 3.933 1.00 0.00 C ATOM 1549 CD2 TYR A 98 8.320 -4.811 3.440 1.00 0.00 C ATOM 1550 CE1 TYR A 98 8.333 -7.546 3.107 1.00 0.00 C ATOM 1551 CE2 TYR A 98 9.257 -5.397 2.613 1.00 0.00 C ATOM 1552 CZ TYR A 98 9.259 -6.765 2.452 1.00 0.00 C ATOM 1553 OH TYR A 98 10.181 -7.356 1.623 1.00 0.00 O ATOM 0 H TYR A 98 5.726 -3.218 3.138 1.00 0.00 H new ATOM 0 HA TYR A 98 4.579 -5.750 4.104 1.00 0.00 H new ATOM 0 HB2 TYR A 98 6.712 -3.954 5.318 1.00 0.00 H new ATOM 0 HB3 TYR A 98 6.231 -5.533 5.907 1.00 0.00 H new ATOM 0 HD1 TYR A 98 6.678 -7.568 4.448 1.00 0.00 H new ATOM 0 HD2 TYR A 98 8.321 -3.739 3.568 1.00 0.00 H new ATOM 0 HE1 TYR A 98 8.337 -8.618 2.975 1.00 0.00 H new ATOM 0 HE2 TYR A 98 9.983 -4.787 2.096 1.00 0.00 H new ATOM 0 HH TYR A 98 9.716 -7.826 0.900 1.00 0.00 H new ATOM 1563 N PHE A 99 3.023 -4.773 5.741 1.00 0.00 N ATOM 1564 CA PHE A 99 2.114 -4.271 6.758 1.00 0.00 C ATOM 1565 C PHE A 99 2.358 -5.015 8.058 1.00 0.00 C ATOM 1566 O PHE A 99 2.225 -6.236 8.112 1.00 0.00 O ATOM 1567 CB PHE A 99 0.652 -4.459 6.335 1.00 0.00 C ATOM 1568 CG PHE A 99 0.227 -3.620 5.163 1.00 0.00 C ATOM 1569 CD1 PHE A 99 -0.079 -2.279 5.330 1.00 0.00 C ATOM 1570 CD2 PHE A 99 0.114 -4.175 3.898 1.00 0.00 C ATOM 1571 CE1 PHE A 99 -0.488 -1.507 4.259 1.00 0.00 C ATOM 1572 CE2 PHE A 99 -0.292 -3.407 2.823 1.00 0.00 C ATOM 1573 CZ PHE A 99 -0.594 -2.072 3.003 1.00 0.00 C ATOM 0 H PHE A 99 2.811 -5.717 5.419 1.00 0.00 H new ATOM 0 HA PHE A 99 2.300 -3.205 6.890 1.00 0.00 H new ATOM 0 HB2 PHE A 99 0.490 -5.509 6.091 1.00 0.00 H new ATOM 0 HB3 PHE A 99 0.009 -4.226 7.184 1.00 0.00 H new ATOM 0 HD1 PHE A 99 0.003 -1.831 6.309 1.00 0.00 H new ATOM 0 HD2 PHE A 99 0.346 -5.219 3.751 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -0.724 -0.463 4.404 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -0.373 -3.851 1.842 1.00 0.00 H new ATOM 0 HZ PHE A 99 -0.912 -1.471 2.164 1.00 0.00 H new ATOM 1583 N GLN A 100 2.732 -4.288 9.097 1.00 0.00 N ATOM 1584 CA GLN A 100 2.994 -4.898 10.388 1.00 0.00 C ATOM 1585 C GLN A 100 2.278 -4.128 11.486 1.00 0.00 C ATOM 1586 O GLN A 100 2.184 -2.905 11.431 1.00 0.00 O ATOM 1587 CB GLN A 100 4.498 -4.954 10.677 1.00 0.00 C ATOM 1588 CG GLN A 100 5.160 -3.589 10.768 1.00 0.00 C ATOM 1589 CD GLN A 100 6.627 -3.678 11.143 1.00 0.00 C ATOM 1590 OE1 GLN A 100 7.048 -4.599 11.842 1.00 0.00 O ATOM 1591 NE2 GLN A 100 7.418 -2.719 10.683 1.00 0.00 N ATOM 0 H GLN A 100 2.861 -3.276 9.071 1.00 0.00 H new ATOM 0 HA GLN A 100 2.615 -5.920 10.363 1.00 0.00 H new ATOM 0 HB2 GLN A 100 4.658 -5.488 11.614 1.00 0.00 H new ATOM 0 HB3 GLN A 100 4.987 -5.532 9.893 1.00 0.00 H new ATOM 0 HG2 GLN A 100 5.064 -3.078 9.810 1.00 0.00 H new ATOM 0 HG3 GLN A 100 4.636 -2.983 11.507 1.00 0.00 H new ATOM 0 HE21 GLN A 100 7.031 -1.972 10.106 1.00 0.00 H new ATOM 0 HE22 GLN A 100 8.413 -2.728 10.906 1.00 0.00 H new ATOM 1600 N ASP A 101 1.776 -4.838 12.474 1.00 0.00 N ATOM 1601 CA ASP A 101 1.036 -4.207 13.554 1.00 0.00 C ATOM 1602 C ASP A 101 1.508 -4.740 14.909 1.00 0.00 C ATOM 1603 O ASP A 101 2.286 -5.696 14.966 1.00 0.00 O ATOM 1604 CB ASP A 101 -0.467 -4.439 13.357 1.00 0.00 C ATOM 1605 CG ASP A 101 -1.030 -5.480 14.295 1.00 0.00 C ATOM 1606 OD1 ASP A 101 -0.773 -6.682 14.088 1.00 0.00 O ATOM 1607 OD2 ASP A 101 -1.699 -5.086 15.268 1.00 0.00 O ATOM 0 H ASP A 101 1.865 -5.851 12.555 1.00 0.00 H new ATOM 0 HA ASP A 101 1.223 -3.133 13.538 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -0.997 -3.498 13.506 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -0.650 -4.748 12.328 1.00 0.00 H new ATOM 1612 N SER A 102 1.026 -4.130 15.990 1.00 0.00 N ATOM 1613 CA SER A 102 1.488 -4.461 17.337 1.00 0.00 C ATOM 1614 C SER A 102 0.901 -5.793 17.829 1.00 0.00 C ATOM 1615 O SER A 102 1.351 -6.342 18.836 1.00 0.00 O ATOM 1616 CB SER A 102 1.133 -3.329 18.307 1.00 0.00 C ATOM 1617 OG SER A 102 1.788 -3.491 19.557 1.00 0.00 O ATOM 0 H SER A 102 0.313 -3.401 15.959 1.00 0.00 H new ATOM 0 HA SER A 102 2.571 -4.575 17.300 1.00 0.00 H new ATOM 0 HB2 SER A 102 1.414 -2.371 17.869 1.00 0.00 H new ATOM 0 HB3 SER A 102 0.054 -3.305 18.461 1.00 0.00 H new ATOM 0 HG SER A 102 2.017 -4.435 19.686 1.00 0.00 H new ATOM 1623 N PHE A 103 -0.084 -6.316 17.111 1.00 0.00 N ATOM 1624 CA PHE A 103 -0.685 -7.602 17.447 1.00 0.00 C ATOM 1625 C PHE A 103 0.221 -8.734 16.977 1.00 0.00 C ATOM 1626 O PHE A 103 0.195 -9.838 17.522 1.00 0.00 O ATOM 1627 CB PHE A 103 -2.078 -7.715 16.798 1.00 0.00 C ATOM 1628 CG PHE A 103 -2.703 -9.083 16.867 1.00 0.00 C ATOM 1629 CD1 PHE A 103 -3.452 -9.463 17.965 1.00 0.00 C ATOM 1630 CD2 PHE A 103 -2.546 -9.985 15.826 1.00 0.00 C ATOM 1631 CE1 PHE A 103 -4.029 -10.715 18.030 1.00 0.00 C ATOM 1632 CE2 PHE A 103 -3.120 -11.237 15.884 1.00 0.00 C ATOM 1633 CZ PHE A 103 -3.862 -11.605 16.989 1.00 0.00 C ATOM 0 H PHE A 103 -0.486 -5.868 16.288 1.00 0.00 H new ATOM 0 HA PHE A 103 -0.800 -7.676 18.528 1.00 0.00 H new ATOM 0 HB2 PHE A 103 -2.746 -7.002 17.281 1.00 0.00 H new ATOM 0 HB3 PHE A 103 -2.000 -7.420 15.752 1.00 0.00 H new ATOM 0 HD1 PHE A 103 -3.587 -8.771 18.783 1.00 0.00 H new ATOM 0 HD2 PHE A 103 -1.967 -9.703 14.959 1.00 0.00 H new ATOM 0 HE1 PHE A 103 -4.611 -10.998 18.895 1.00 0.00 H new ATOM 0 HE2 PHE A 103 -2.989 -11.930 15.066 1.00 0.00 H new ATOM 0 HZ PHE A 103 -4.310 -12.586 17.038 1.00 0.00 H new ATOM 1643 N GLY A 104 1.044 -8.441 15.981 1.00 0.00 N ATOM 1644 CA GLY A 104 1.945 -9.439 15.452 1.00 0.00 C ATOM 1645 C GLY A 104 1.658 -9.748 14.001 1.00 0.00 C ATOM 1646 O GLY A 104 2.242 -10.666 13.426 1.00 0.00 O ATOM 0 H GLY A 104 1.103 -7.528 15.530 1.00 0.00 H new ATOM 0 HA2 GLY A 104 2.973 -9.089 15.552 1.00 0.00 H new ATOM 0 HA3 GLY A 104 1.861 -10.352 16.041 1.00 0.00 H new ATOM 1650 N GLN A 105 0.751 -8.983 13.407 1.00 0.00 N ATOM 1651 CA GLN A 105 0.418 -9.148 12.002 1.00 0.00 C ATOM 1652 C GLN A 105 1.570 -8.675 11.129 1.00 0.00 C ATOM 1653 O GLN A 105 2.162 -7.624 11.389 1.00 0.00 O ATOM 1654 CB GLN A 105 -0.841 -8.352 11.663 1.00 0.00 C ATOM 1655 CG GLN A 105 -1.237 -8.406 10.198 1.00 0.00 C ATOM 1656 CD GLN A 105 -2.267 -7.354 9.835 1.00 0.00 C ATOM 1657 OE1 GLN A 105 -3.080 -6.958 10.802 1.00 0.00 O flip ATOM 1658 NE2 GLN A 105 -2.319 -6.887 8.701 1.00 0.00 N flip ATOM 0 H GLN A 105 0.233 -8.242 13.879 1.00 0.00 H new ATOM 0 HA GLN A 105 0.236 -10.206 11.811 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -1.668 -8.728 12.265 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -0.687 -7.311 11.948 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -0.350 -8.269 9.580 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -1.636 -9.394 9.969 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -1.675 -7.218 7.983 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -3.006 -6.167 8.477 1.00 0.00 H new ATOM 1667 N LEU A 106 1.900 -9.463 10.119 1.00 0.00 N ATOM 1668 CA LEU A 106 2.859 -9.053 9.115 1.00 0.00 C ATOM 1669 C LEU A 106 2.461 -9.638 7.771 1.00 0.00 C ATOM 1670 O LEU A 106 2.471 -10.852 7.583 1.00 0.00 O ATOM 1671 CB LEU A 106 4.275 -9.498 9.498 1.00 0.00 C ATOM 1672 CG LEU A 106 5.376 -9.120 8.502 1.00 0.00 C ATOM 1673 CD1 LEU A 106 5.420 -7.613 8.296 1.00 0.00 C ATOM 1674 CD2 LEU A 106 6.725 -9.624 8.990 1.00 0.00 C ATOM 0 H LEU A 106 1.513 -10.396 9.975 1.00 0.00 H new ATOM 0 HA LEU A 106 2.860 -7.965 9.049 1.00 0.00 H new ATOM 0 HB2 LEU A 106 4.523 -9.067 10.468 1.00 0.00 H new ATOM 0 HB3 LEU A 106 4.276 -10.581 9.621 1.00 0.00 H new ATOM 0 HG LEU A 106 5.150 -9.592 7.546 1.00 0.00 H new ATOM 0 HD11 LEU A 106 6.209 -7.366 7.585 1.00 0.00 H new ATOM 0 HD12 LEU A 106 4.461 -7.271 7.907 1.00 0.00 H new ATOM 0 HD13 LEU A 106 5.622 -7.121 9.248 1.00 0.00 H new ATOM 0 HD21 LEU A 106 7.498 -9.348 8.272 1.00 0.00 H new ATOM 0 HD22 LEU A 106 6.952 -9.177 9.958 1.00 0.00 H new ATOM 0 HD23 LEU A 106 6.694 -10.709 9.090 1.00 0.00 H new ATOM 1686 N GLN A 107 2.104 -8.768 6.845 1.00 0.00 N ATOM 1687 CA GLN A 107 1.717 -9.192 5.511 1.00 0.00 C ATOM 1688 C GLN A 107 2.531 -8.452 4.469 1.00 0.00 C ATOM 1689 O GLN A 107 2.636 -7.227 4.507 1.00 0.00 O ATOM 1690 CB GLN A 107 0.221 -8.958 5.263 1.00 0.00 C ATOM 1691 CG GLN A 107 -0.690 -9.829 6.115 1.00 0.00 C ATOM 1692 CD GLN A 107 -2.138 -9.759 5.675 1.00 0.00 C ATOM 1693 OE1 GLN A 107 -2.910 -8.928 6.148 1.00 0.00 O ATOM 1694 NE2 GLN A 107 -2.514 -10.636 4.761 1.00 0.00 N ATOM 0 H GLN A 107 2.074 -7.759 6.992 1.00 0.00 H new ATOM 0 HA GLN A 107 1.913 -10.261 5.432 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -0.010 -7.910 5.457 1.00 0.00 H new ATOM 0 HB3 GLN A 107 0.004 -9.143 4.211 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -0.348 -10.863 6.066 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -0.615 -9.517 7.157 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -1.842 -11.310 4.394 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -3.476 -10.639 4.423 1.00 0.00 H new ATOM 1703 N GLN A 108 3.120 -9.200 3.553 1.00 0.00 N ATOM 1704 CA GLN A 108 3.883 -8.616 2.470 1.00 0.00 C ATOM 1705 C GLN A 108 3.105 -8.726 1.166 1.00 0.00 C ATOM 1706 O GLN A 108 2.833 -9.825 0.673 1.00 0.00 O ATOM 1707 CB GLN A 108 5.273 -9.266 2.334 1.00 0.00 C ATOM 1708 CG GLN A 108 5.273 -10.772 2.071 1.00 0.00 C ATOM 1709 CD GLN A 108 4.836 -11.597 3.269 1.00 0.00 C ATOM 1710 OE1 GLN A 108 3.652 -11.895 3.436 1.00 0.00 O ATOM 1711 NE2 GLN A 108 5.787 -11.976 4.107 1.00 0.00 N ATOM 0 H GLN A 108 3.083 -10.219 3.540 1.00 0.00 H new ATOM 0 HA GLN A 108 4.042 -7.563 2.701 1.00 0.00 H new ATOM 0 HB2 GLN A 108 5.807 -8.773 1.522 1.00 0.00 H new ATOM 0 HB3 GLN A 108 5.835 -9.075 3.248 1.00 0.00 H new ATOM 0 HG2 GLN A 108 4.611 -10.986 1.232 1.00 0.00 H new ATOM 0 HG3 GLN A 108 6.275 -11.081 1.774 1.00 0.00 H new ATOM 0 HE21 GLN A 108 6.756 -11.709 3.933 1.00 0.00 H new ATOM 0 HE22 GLN A 108 5.551 -12.536 4.927 1.00 0.00 H new ATOM 1720 N LEU A 109 2.704 -7.585 0.637 1.00 0.00 N ATOM 1721 CA LEU A 109 1.989 -7.549 -0.623 1.00 0.00 C ATOM 1722 C LEU A 109 2.928 -7.085 -1.721 1.00 0.00 C ATOM 1723 O LEU A 109 3.320 -5.918 -1.764 1.00 0.00 O ATOM 1724 CB LEU A 109 0.775 -6.617 -0.539 1.00 0.00 C ATOM 1725 CG LEU A 109 -0.208 -6.908 0.600 1.00 0.00 C ATOM 1726 CD1 LEU A 109 -1.387 -5.953 0.533 1.00 0.00 C ATOM 1727 CD2 LEU A 109 -0.694 -8.352 0.555 1.00 0.00 C ATOM 0 H LEU A 109 2.862 -6.671 1.061 1.00 0.00 H new ATOM 0 HA LEU A 109 1.628 -8.552 -0.849 1.00 0.00 H new ATOM 0 HB2 LEU A 109 1.133 -5.593 -0.433 1.00 0.00 H new ATOM 0 HB3 LEU A 109 0.234 -6.669 -1.484 1.00 0.00 H new ATOM 0 HG LEU A 109 0.316 -6.759 1.544 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -2.078 -6.170 1.348 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -1.030 -4.927 0.624 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -1.900 -6.075 -0.421 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -1.390 -8.527 1.375 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -1.198 -8.537 -0.394 1.00 0.00 H new ATOM 0 HD23 LEU A 109 0.158 -9.026 0.651 1.00 0.00 H new ATOM 1739 N THR A 110 3.291 -8.000 -2.599 1.00 0.00 N ATOM 1740 CA THR A 110 4.226 -7.702 -3.662 1.00 0.00 C ATOM 1741 C THR A 110 3.486 -7.534 -4.981 1.00 0.00 C ATOM 1742 O THR A 110 2.901 -8.489 -5.496 1.00 0.00 O ATOM 1743 CB THR A 110 5.264 -8.830 -3.804 1.00 0.00 C ATOM 1744 OG1 THR A 110 5.654 -9.303 -2.505 1.00 0.00 O ATOM 1745 CG2 THR A 110 6.490 -8.346 -4.561 1.00 0.00 C ATOM 0 H THR A 110 2.949 -8.961 -2.595 1.00 0.00 H new ATOM 0 HA THR A 110 4.740 -6.774 -3.411 1.00 0.00 H new ATOM 0 HB THR A 110 4.808 -9.645 -4.367 1.00 0.00 H new ATOM 0 HG1 THR A 110 5.730 -8.544 -1.890 1.00 0.00 H new ATOM 0 HG21 THR A 110 7.209 -9.161 -4.648 1.00 0.00 H new ATOM 0 HG22 THR A 110 6.195 -8.014 -5.556 1.00 0.00 H new ATOM 0 HG23 THR A 110 6.946 -7.516 -4.022 1.00 0.00 H new ATOM 1753 N PHE A 111 3.494 -6.328 -5.522 1.00 0.00 N ATOM 1754 CA PHE A 111 2.811 -6.073 -6.775 1.00 0.00 C ATOM 1755 C PHE A 111 3.784 -5.585 -7.836 1.00 0.00 C ATOM 1756 O PHE A 111 4.573 -4.666 -7.608 1.00 0.00 O ATOM 1757 CB PHE A 111 1.639 -5.098 -6.590 1.00 0.00 C ATOM 1758 CG PHE A 111 1.989 -3.725 -6.081 1.00 0.00 C ATOM 1759 CD1 PHE A 111 2.194 -3.502 -4.729 1.00 0.00 C ATOM 1760 CD2 PHE A 111 2.072 -2.650 -6.951 1.00 0.00 C ATOM 1761 CE1 PHE A 111 2.477 -2.233 -4.257 1.00 0.00 C ATOM 1762 CE2 PHE A 111 2.360 -1.382 -6.484 1.00 0.00 C ATOM 1763 CZ PHE A 111 2.562 -1.173 -5.136 1.00 0.00 C ATOM 0 H PHE A 111 3.962 -5.517 -5.116 1.00 0.00 H new ATOM 0 HA PHE A 111 2.390 -7.017 -7.122 1.00 0.00 H new ATOM 0 HB2 PHE A 111 1.130 -4.989 -7.548 1.00 0.00 H new ATOM 0 HB3 PHE A 111 0.925 -5.548 -5.899 1.00 0.00 H new ATOM 0 HD1 PHE A 111 2.132 -4.328 -4.036 1.00 0.00 H new ATOM 0 HD2 PHE A 111 1.910 -2.805 -8.007 1.00 0.00 H new ATOM 0 HE1 PHE A 111 2.631 -2.072 -3.200 1.00 0.00 H new ATOM 0 HE2 PHE A 111 2.427 -0.554 -7.175 1.00 0.00 H new ATOM 0 HZ PHE A 111 2.786 -0.182 -4.769 1.00 0.00 H new ATOM 1773 N SER A 112 3.737 -6.238 -8.983 1.00 0.00 N ATOM 1774 CA SER A 112 4.607 -5.913 -10.096 1.00 0.00 C ATOM 1775 C SER A 112 3.787 -5.574 -11.336 1.00 0.00 C ATOM 1776 O SER A 112 2.751 -6.193 -11.593 1.00 0.00 O ATOM 1777 CB SER A 112 5.550 -7.087 -10.370 1.00 0.00 C ATOM 1778 OG SER A 112 4.850 -8.325 -10.357 1.00 0.00 O ATOM 0 H SER A 112 3.094 -7.008 -9.168 1.00 0.00 H new ATOM 0 HA SER A 112 5.202 -5.036 -9.840 1.00 0.00 H new ATOM 0 HB2 SER A 112 6.033 -6.950 -11.337 1.00 0.00 H new ATOM 0 HB3 SER A 112 6.340 -7.105 -9.619 1.00 0.00 H new ATOM 0 HG SER A 112 5.476 -9.057 -10.536 1.00 0.00 H new ATOM 1784 N PHE A 113 4.242 -4.584 -12.086 1.00 0.00 N ATOM 1785 CA PHE A 113 3.538 -4.144 -13.280 1.00 0.00 C ATOM 1786 C PHE A 113 4.348 -4.452 -14.530 1.00 0.00 C ATOM 1787 O PHE A 113 5.539 -4.749 -14.445 1.00 0.00 O ATOM 1788 CB PHE A 113 3.249 -2.640 -13.221 1.00 0.00 C ATOM 1789 CG PHE A 113 2.325 -2.234 -12.110 1.00 0.00 C ATOM 1790 CD1 PHE A 113 0.974 -2.536 -12.170 1.00 0.00 C ATOM 1791 CD2 PHE A 113 2.806 -1.542 -11.010 1.00 0.00 C ATOM 1792 CE1 PHE A 113 0.121 -2.156 -11.151 1.00 0.00 C ATOM 1793 CE2 PHE A 113 1.958 -1.159 -9.990 1.00 0.00 C ATOM 1794 CZ PHE A 113 0.613 -1.468 -10.060 1.00 0.00 C ATOM 0 H PHE A 113 5.099 -4.068 -11.888 1.00 0.00 H new ATOM 0 HA PHE A 113 2.594 -4.687 -13.323 1.00 0.00 H new ATOM 0 HB2 PHE A 113 4.192 -2.104 -13.108 1.00 0.00 H new ATOM 0 HB3 PHE A 113 2.816 -2.327 -14.171 1.00 0.00 H new ATOM 0 HD1 PHE A 113 0.584 -3.074 -13.021 1.00 0.00 H new ATOM 0 HD2 PHE A 113 3.857 -1.299 -10.950 1.00 0.00 H new ATOM 0 HE1 PHE A 113 -0.930 -2.397 -11.208 1.00 0.00 H new ATOM 0 HE2 PHE A 113 2.345 -0.619 -9.139 1.00 0.00 H new ATOM 0 HZ PHE A 113 -0.052 -1.172 -9.262 1.00 0.00 H new