USER MOD reduce.3.24.130724 H: found=0, std=0, add=674, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 663 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 Single : A 35 LYS NZ :NH3+ 144:sc= -1.27 (180deg=-4.32!) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 TYR OH : rot 62:sc= -7.72! USER MOD Single : A 53 SER OG : rot 180:sc= -4.98! USER MOD Single : A 56 THR OG1 : rot 180:sc= -1.21 USER MOD Single : A 59 GLN : amide:sc= -3.17 K(o=-3.2,f=-8!) USER MOD Single : A 61 TYR OH : rot 79:sc= 0.0117 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 HIS : no HD1:sc= -0.209 X(o=-0.21,f=-0.39) USER MOD Single : A 81 ASN : amide:sc= -0.13 X(o=-0.13,f=-0.02) USER MOD Single : A 82 ASN : amide:sc= -0.147 X(o=-0.15,f=0) USER MOD Single : A 87 THR OG1 : rot -94:sc= 0.128 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 90 THR OG1 : rot 180:sc= -0.0211 USER MOD Single : A 91 MET CE :methyl -145:sc= -6.13! (180deg=-9.46!) USER MOD Single : A 93 GLN : amide:sc= -6.28! C(o=-6.3!,f=-7.4!) USER MOD Single : A 95 TYR OH : rot 180:sc= -1.52! USER MOD Single : A 96 GLN : amide:sc= -0.433 K(o=-0.43,f=-3.4!) USER MOD Single : A 98 HIS : no HD1:sc= -9.9! C(o=-9.9!,f=-9.3!) USER MOD Single : A 99 HIS : no HE2:sc= -1.4! C(o=-1.4!,f=-5.9!) USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 TYR OH : rot -130:sc= -1.14 USER MOD Single : A 110 SER OG : rot 180:sc= -0.236 USER MOD ----------------------------------------------------------------- ATOM 177 N ARG A 28 3.579 14.447 0.812 1.00 0.00 N ATOM 178 CA ARG A 28 3.627 13.014 1.232 1.00 0.00 C ATOM 179 C ARG A 28 2.296 12.316 0.926 1.00 0.00 C ATOM 180 O ARG A 28 1.342 12.931 0.494 1.00 0.00 O ATOM 181 CB ARG A 28 3.930 13.040 2.743 1.00 0.00 C ATOM 182 CG ARG A 28 2.658 12.807 3.582 1.00 0.00 C ATOM 183 CD ARG A 28 1.647 13.928 3.334 1.00 0.00 C ATOM 184 NE ARG A 28 0.437 13.527 4.101 1.00 0.00 N ATOM 185 CZ ARG A 28 -0.569 14.352 4.216 1.00 0.00 C ATOM 186 NH1 ARG A 28 -1.159 14.814 3.148 1.00 0.00 N ATOM 187 NH2 ARG A 28 -0.982 14.717 5.398 1.00 0.00 N ATOM 0 HA ARG A 28 4.388 12.451 0.692 1.00 0.00 H new ATOM 0 HB2 ARG A 28 4.668 12.273 2.980 1.00 0.00 H new ATOM 0 HB3 ARG A 28 4.371 14.000 3.010 1.00 0.00 H new ATOM 0 HG2 ARG A 28 2.215 11.845 3.324 1.00 0.00 H new ATOM 0 HG3 ARG A 28 2.914 12.767 4.641 1.00 0.00 H new ATOM 0 HD2 ARG A 28 2.031 14.889 3.676 1.00 0.00 H new ATOM 0 HD3 ARG A 28 1.425 14.032 2.272 1.00 0.00 H new ATOM 0 HE ARG A 28 0.393 12.606 4.538 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -0.835 14.531 2.223 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -1.945 15.458 3.238 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -0.519 14.358 6.233 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -1.768 15.361 5.487 1.00 0.00 H new ATOM 199 N VAL A 29 2.233 11.032 1.152 1.00 0.00 N ATOM 200 CA VAL A 29 0.972 10.286 0.884 1.00 0.00 C ATOM 201 C VAL A 29 0.763 9.215 1.956 1.00 0.00 C ATOM 202 O VAL A 29 1.412 8.184 1.942 1.00 0.00 O ATOM 203 CB VAL A 29 1.173 9.642 -0.488 1.00 0.00 C ATOM 204 CG1 VAL A 29 0.112 8.563 -0.706 1.00 0.00 C ATOM 205 CG2 VAL A 29 1.044 10.710 -1.576 1.00 0.00 C ATOM 0 H VAL A 29 3.002 10.467 1.511 1.00 0.00 H new ATOM 0 HA VAL A 29 0.095 10.933 0.901 1.00 0.00 H new ATOM 0 HB VAL A 29 2.164 9.191 -0.536 1.00 0.00 H new ATOM 0 HG11 VAL A 29 0.255 8.104 -1.684 1.00 0.00 H new ATOM 0 HG12 VAL A 29 0.203 7.802 0.069 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -0.880 9.013 -0.658 1.00 0.00 H new ATOM 0 HG21 VAL A 29 1.187 10.252 -2.555 1.00 0.00 H new ATOM 0 HG22 VAL A 29 0.053 11.161 -1.528 1.00 0.00 H new ATOM 0 HG23 VAL A 29 1.800 11.480 -1.422 1.00 0.00 H new ATOM 215 N PRO A 30 -0.139 9.501 2.856 1.00 0.00 N ATOM 216 CA PRO A 30 -0.448 8.556 3.955 1.00 0.00 C ATOM 217 C PRO A 30 -1.321 7.406 3.438 1.00 0.00 C ATOM 218 O PRO A 30 -2.537 7.487 3.428 1.00 0.00 O ATOM 219 CB PRO A 30 -1.218 9.413 4.955 1.00 0.00 C ATOM 220 CG PRO A 30 -1.818 10.520 4.146 1.00 0.00 C ATOM 221 CD PRO A 30 -0.942 10.725 2.935 1.00 0.00 C ATOM 0 HA PRO A 30 0.439 8.095 4.389 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -1.990 8.831 5.459 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -0.557 9.804 5.728 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -2.835 10.267 3.845 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -1.878 11.435 4.735 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -1.537 10.869 2.033 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -0.312 11.608 3.045 1.00 0.00 H new ATOM 229 N VAL A 31 -0.711 6.343 2.995 1.00 0.00 N ATOM 230 CA VAL A 31 -1.494 5.197 2.470 1.00 0.00 C ATOM 231 C VAL A 31 -1.854 4.223 3.599 1.00 0.00 C ATOM 232 O VAL A 31 -1.155 4.117 4.587 1.00 0.00 O ATOM 233 CB VAL A 31 -0.574 4.527 1.440 1.00 0.00 C ATOM 234 CG1 VAL A 31 0.235 5.586 0.683 1.00 0.00 C ATOM 235 CG2 VAL A 31 0.387 3.555 2.127 1.00 0.00 C ATOM 0 H VAL A 31 0.301 6.221 2.975 1.00 0.00 H new ATOM 0 HA VAL A 31 -2.438 5.514 2.027 1.00 0.00 H new ATOM 0 HB VAL A 31 -1.198 3.975 0.738 1.00 0.00 H new ATOM 0 HG11 VAL A 31 0.883 5.097 -0.044 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -0.445 6.263 0.166 1.00 0.00 H new ATOM 0 HG13 VAL A 31 0.843 6.152 1.388 1.00 0.00 H new ATOM 0 HG21 VAL A 31 1.030 3.090 1.380 1.00 0.00 H new ATOM 0 HG22 VAL A 31 1.000 4.097 2.847 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -0.184 2.784 2.644 1.00 0.00 H new ATOM 245 N ILE A 32 -2.929 3.500 3.448 1.00 0.00 N ATOM 246 CA ILE A 32 -3.322 2.519 4.501 1.00 0.00 C ATOM 247 C ILE A 32 -2.951 1.111 4.026 1.00 0.00 C ATOM 248 O ILE A 32 -2.667 0.897 2.864 1.00 0.00 O ATOM 249 CB ILE A 32 -4.843 2.686 4.668 1.00 0.00 C ATOM 250 CG1 ILE A 32 -5.117 3.630 5.843 1.00 0.00 C ATOM 251 CG2 ILE A 32 -5.507 1.333 4.953 1.00 0.00 C ATOM 252 CD1 ILE A 32 -4.631 5.039 5.499 1.00 0.00 C ATOM 0 H ILE A 32 -3.553 3.545 2.642 1.00 0.00 H new ATOM 0 HA ILE A 32 -2.816 2.680 5.453 1.00 0.00 H new ATOM 0 HB ILE A 32 -5.254 3.095 3.745 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -6.184 3.648 6.066 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -4.610 3.269 6.738 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -6.582 1.472 5.068 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -5.316 0.652 4.124 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -5.096 0.912 5.870 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -4.828 5.707 6.338 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -3.560 5.015 5.298 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -5.158 5.400 4.616 1.00 0.00 H new ATOM 264 N VAL A 33 -2.938 0.153 4.908 1.00 0.00 N ATOM 265 CA VAL A 33 -2.566 -1.222 4.484 1.00 0.00 C ATOM 266 C VAL A 33 -3.465 -2.265 5.161 1.00 0.00 C ATOM 267 O VAL A 33 -3.706 -2.226 6.351 1.00 0.00 O ATOM 268 CB VAL A 33 -1.092 -1.358 4.897 1.00 0.00 C ATOM 269 CG1 VAL A 33 -0.819 -2.720 5.549 1.00 0.00 C ATOM 270 CG2 VAL A 33 -0.222 -1.212 3.649 1.00 0.00 C ATOM 0 H VAL A 33 -3.167 0.261 5.896 1.00 0.00 H new ATOM 0 HA VAL A 33 -2.698 -1.391 3.415 1.00 0.00 H new ATOM 0 HB VAL A 33 -0.858 -0.582 5.626 1.00 0.00 H new ATOM 0 HG11 VAL A 33 0.232 -2.785 5.830 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -1.439 -2.828 6.439 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -1.056 -3.516 4.842 1.00 0.00 H new ATOM 0 HG21 VAL A 33 0.828 -1.306 3.925 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -0.480 -1.991 2.932 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -0.393 -0.234 3.199 1.00 0.00 H new ATOM 280 N GLU A 34 -3.951 -3.199 4.394 1.00 0.00 N ATOM 281 CA GLU A 34 -4.829 -4.266 4.950 1.00 0.00 C ATOM 282 C GLU A 34 -4.689 -5.539 4.107 1.00 0.00 C ATOM 283 O GLU A 34 -4.187 -5.511 2.997 1.00 0.00 O ATOM 284 CB GLU A 34 -6.249 -3.707 4.847 1.00 0.00 C ATOM 285 CG GLU A 34 -7.195 -4.559 5.696 1.00 0.00 C ATOM 286 CD GLU A 34 -8.605 -3.967 5.640 1.00 0.00 C ATOM 287 OE1 GLU A 34 -9.203 -4.012 4.579 1.00 0.00 O ATOM 288 OE2 GLU A 34 -9.060 -3.476 6.660 1.00 0.00 O ATOM 0 H GLU A 34 -3.775 -3.270 3.392 1.00 0.00 H new ATOM 0 HA GLU A 34 -4.572 -4.527 5.977 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -6.270 -2.672 5.188 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -6.577 -3.707 3.807 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -7.205 -5.585 5.329 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -6.844 -4.593 6.727 1.00 0.00 H new ATOM 295 N LYS A 35 -5.121 -6.655 4.622 1.00 0.00 N ATOM 296 CA LYS A 35 -5.004 -7.920 3.844 1.00 0.00 C ATOM 297 C LYS A 35 -6.314 -8.230 3.120 1.00 0.00 C ATOM 298 O LYS A 35 -7.371 -7.760 3.491 1.00 0.00 O ATOM 299 CB LYS A 35 -4.704 -9.003 4.877 1.00 0.00 C ATOM 300 CG LYS A 35 -3.433 -9.754 4.477 1.00 0.00 C ATOM 301 CD LYS A 35 -2.249 -8.784 4.458 1.00 0.00 C ATOM 302 CE LYS A 35 -1.992 -8.264 5.874 1.00 0.00 C ATOM 303 NZ LYS A 35 -1.860 -9.488 6.713 1.00 0.00 N ATOM 0 H LYS A 35 -5.548 -6.747 5.544 1.00 0.00 H new ATOM 0 HA LYS A 35 -4.228 -7.854 3.082 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -4.579 -8.555 5.863 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -5.542 -9.697 4.946 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -3.241 -10.565 5.180 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -3.560 -10.208 3.494 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -1.360 -9.286 4.077 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -2.458 -7.952 3.786 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -1.087 -7.658 5.914 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -2.813 -7.635 6.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -1.143 -9.329 7.449 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -2.774 -9.702 7.161 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -1.571 -10.289 6.116 1.00 0.00 H new ATOM 317 N ALA A 36 -6.247 -9.033 2.096 1.00 0.00 N ATOM 318 CA ALA A 36 -7.485 -9.396 1.346 1.00 0.00 C ATOM 319 C ALA A 36 -8.425 -10.180 2.265 1.00 0.00 C ATOM 320 O ALA A 36 -8.150 -10.326 3.440 1.00 0.00 O ATOM 321 CB ALA A 36 -7.000 -10.269 0.186 1.00 0.00 C ATOM 0 H ALA A 36 -5.388 -9.455 1.744 1.00 0.00 H new ATOM 0 HA ALA A 36 -8.037 -8.526 0.988 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -7.853 -10.579 -0.417 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -6.306 -9.700 -0.433 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -6.495 -11.151 0.581 1.00 0.00 H new ATOM 327 N PRO A 37 -9.504 -10.667 1.711 1.00 0.00 N ATOM 328 CA PRO A 37 -10.472 -11.445 2.521 1.00 0.00 C ATOM 329 C PRO A 37 -9.863 -12.796 2.897 1.00 0.00 C ATOM 330 O PRO A 37 -9.714 -13.675 2.071 1.00 0.00 O ATOM 331 CB PRO A 37 -11.672 -11.610 1.592 1.00 0.00 C ATOM 332 CG PRO A 37 -11.112 -11.477 0.213 1.00 0.00 C ATOM 333 CD PRO A 37 -9.926 -10.553 0.308 1.00 0.00 C ATOM 0 HA PRO A 37 -10.746 -10.963 3.459 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -12.150 -12.579 1.732 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -12.429 -10.850 1.786 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -10.813 -12.450 -0.178 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -11.860 -11.075 -0.470 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -9.130 -10.852 -0.375 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -10.196 -9.528 0.054 1.00 0.00 H new ATOM 341 N LYS A 38 -9.501 -12.963 4.140 1.00 0.00 N ATOM 342 CA LYS A 38 -8.890 -14.249 4.574 1.00 0.00 C ATOM 343 C LYS A 38 -7.551 -14.458 3.861 1.00 0.00 C ATOM 344 O LYS A 38 -7.240 -15.542 3.407 1.00 0.00 O ATOM 345 CB LYS A 38 -9.899 -15.319 4.164 1.00 0.00 C ATOM 346 CG LYS A 38 -10.480 -15.975 5.416 1.00 0.00 C ATOM 347 CD LYS A 38 -11.975 -16.228 5.214 1.00 0.00 C ATOM 348 CE LYS A 38 -12.181 -17.106 3.976 1.00 0.00 C ATOM 349 NZ LYS A 38 -13.624 -16.963 3.640 1.00 0.00 N ATOM 0 H LYS A 38 -9.603 -12.262 4.874 1.00 0.00 H new ATOM 0 HA LYS A 38 -8.685 -14.277 5.644 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -10.697 -14.874 3.570 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -9.416 -16.069 3.538 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -9.966 -16.914 5.619 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -10.323 -15.332 6.282 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -12.394 -16.717 6.094 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -12.502 -15.281 5.094 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -11.549 -16.779 3.150 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -11.924 -18.145 4.182 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -13.843 -17.536 2.801 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -14.201 -17.288 4.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -13.837 -15.964 3.442 1.00 0.00 H new ATOM 363 N ALA A 39 -6.756 -13.425 3.758 1.00 0.00 N ATOM 364 CA ALA A 39 -5.438 -13.562 3.076 1.00 0.00 C ATOM 365 C ALA A 39 -4.536 -14.522 3.854 1.00 0.00 C ATOM 366 O ALA A 39 -4.914 -15.049 4.882 1.00 0.00 O ATOM 367 CB ALA A 39 -4.845 -12.153 3.072 1.00 0.00 C ATOM 0 H ALA A 39 -6.964 -12.493 4.117 1.00 0.00 H new ATOM 0 HA ALA A 39 -5.535 -13.966 2.068 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -3.870 -12.170 2.585 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -5.510 -11.480 2.530 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -4.732 -11.803 4.098 1.00 0.00 H new ATOM 373 N ARG A 40 -3.346 -14.757 3.372 1.00 0.00 N ATOM 374 CA ARG A 40 -2.425 -15.686 4.087 1.00 0.00 C ATOM 375 C ARG A 40 -0.967 -15.286 3.843 1.00 0.00 C ATOM 376 O ARG A 40 -0.091 -16.125 3.769 1.00 0.00 O ATOM 377 CB ARG A 40 -2.709 -17.060 3.482 1.00 0.00 C ATOM 378 CG ARG A 40 -2.424 -17.019 1.980 1.00 0.00 C ATOM 379 CD ARG A 40 -1.893 -18.380 1.522 1.00 0.00 C ATOM 380 NE ARG A 40 -3.104 -19.233 1.363 1.00 0.00 N ATOM 381 CZ ARG A 40 -3.201 -20.045 0.346 1.00 0.00 C ATOM 382 NH1 ARG A 40 -2.665 -21.233 0.406 1.00 0.00 N ATOM 383 NH2 ARG A 40 -3.836 -19.669 -0.731 1.00 0.00 N ATOM 0 H ARG A 40 -2.972 -14.347 2.516 1.00 0.00 H new ATOM 0 HA ARG A 40 -2.580 -15.670 5.166 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -2.088 -17.817 3.961 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -3.747 -17.341 3.659 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -3.333 -16.769 1.434 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -1.695 -16.239 1.759 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -1.345 -18.294 0.584 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -1.206 -18.803 2.255 1.00 0.00 H new ATOM 0 HE ARG A 40 -3.857 -19.182 2.049 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -2.170 -21.527 1.248 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -2.741 -21.868 -0.389 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -4.256 -18.741 -0.777 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -3.912 -20.304 -1.526 1.00 0.00 H new ATOM 395 N ILE A 41 -0.695 -14.016 3.716 1.00 0.00 N ATOM 396 CA ILE A 41 0.714 -13.589 3.476 1.00 0.00 C ATOM 397 C ILE A 41 1.471 -13.450 4.804 1.00 0.00 C ATOM 398 O ILE A 41 0.926 -13.671 5.868 1.00 0.00 O ATOM 399 CB ILE A 41 0.648 -12.255 2.699 1.00 0.00 C ATOM 400 CG1 ILE A 41 -0.102 -11.154 3.473 1.00 0.00 C ATOM 401 CG2 ILE A 41 -0.067 -12.489 1.369 1.00 0.00 C ATOM 402 CD1 ILE A 41 0.641 -10.799 4.757 1.00 0.00 C ATOM 0 H ILE A 41 -1.379 -13.262 3.767 1.00 0.00 H new ATOM 0 HA ILE A 41 1.263 -14.330 2.895 1.00 0.00 H new ATOM 0 HB ILE A 41 1.673 -11.916 2.548 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -0.203 -10.267 2.848 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -1.110 -11.492 3.712 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -0.118 -11.552 0.814 1.00 0.00 H new ATOM 0 HG22 ILE A 41 0.483 -13.227 0.785 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -1.076 -12.854 1.558 1.00 0.00 H new ATOM 0 HD11 ILE A 41 0.096 -10.020 5.289 1.00 0.00 H new ATOM 0 HD12 ILE A 41 0.719 -11.684 5.389 1.00 0.00 H new ATOM 0 HD13 ILE A 41 1.640 -10.439 4.512 1.00 0.00 H new ATOM 414 N GLY A 42 2.732 -13.116 4.740 1.00 0.00 N ATOM 415 CA GLY A 42 3.553 -12.991 5.985 1.00 0.00 C ATOM 416 C GLY A 42 2.855 -12.109 7.019 1.00 0.00 C ATOM 417 O GLY A 42 1.722 -11.715 6.862 1.00 0.00 O ATOM 0 H GLY A 42 3.234 -12.923 3.874 1.00 0.00 H new ATOM 0 HA2 GLY A 42 3.731 -13.980 6.407 1.00 0.00 H new ATOM 0 HA3 GLY A 42 4.528 -12.568 5.741 1.00 0.00 H new ATOM 421 N ASP A 43 3.536 -11.806 8.087 1.00 0.00 N ATOM 422 CA ASP A 43 2.929 -10.948 9.145 1.00 0.00 C ATOM 423 C ASP A 43 3.016 -9.474 8.738 1.00 0.00 C ATOM 424 O ASP A 43 3.529 -9.144 7.687 1.00 0.00 O ATOM 425 CB ASP A 43 3.769 -11.208 10.396 1.00 0.00 C ATOM 426 CG ASP A 43 2.846 -11.428 11.596 1.00 0.00 C ATOM 427 OD1 ASP A 43 2.303 -10.454 12.088 1.00 0.00 O ATOM 428 OD2 ASP A 43 2.699 -12.569 12.004 1.00 0.00 O ATOM 0 H ASP A 43 4.490 -12.116 8.275 1.00 0.00 H new ATOM 0 HA ASP A 43 1.875 -11.174 9.308 1.00 0.00 H new ATOM 0 HB2 ASP A 43 4.402 -12.082 10.246 1.00 0.00 H new ATOM 0 HB3 ASP A 43 4.432 -10.363 10.584 1.00 0.00 H new ATOM 433 N LEU A 44 2.515 -8.588 9.555 1.00 0.00 N ATOM 434 CA LEU A 44 2.566 -7.142 9.206 1.00 0.00 C ATOM 435 C LEU A 44 3.013 -6.310 10.415 1.00 0.00 C ATOM 436 O LEU A 44 2.538 -6.494 11.518 1.00 0.00 O ATOM 437 CB LEU A 44 1.130 -6.804 8.799 1.00 0.00 C ATOM 438 CG LEU A 44 0.274 -6.543 10.043 1.00 0.00 C ATOM 439 CD1 LEU A 44 0.329 -5.056 10.398 1.00 0.00 C ATOM 440 CD2 LEU A 44 -1.174 -6.941 9.755 1.00 0.00 C ATOM 0 H LEU A 44 2.073 -8.804 10.449 1.00 0.00 H new ATOM 0 HA LEU A 44 3.281 -6.923 8.412 1.00 0.00 H new ATOM 0 HB2 LEU A 44 1.124 -5.925 8.154 1.00 0.00 H new ATOM 0 HB3 LEU A 44 0.705 -7.625 8.222 1.00 0.00 H new ATOM 0 HG LEU A 44 0.657 -7.131 10.877 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -0.280 -4.870 11.283 1.00 0.00 H new ATOM 0 HD12 LEU A 44 1.361 -4.768 10.601 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -0.055 -4.468 9.564 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -1.785 -6.756 10.639 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -1.554 -6.351 8.921 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -1.216 -8.000 9.500 1.00 0.00 H new ATOM 452 N ASP A 45 3.922 -5.396 10.213 1.00 0.00 N ATOM 453 CA ASP A 45 4.398 -4.552 11.347 1.00 0.00 C ATOM 454 C ASP A 45 3.482 -3.338 11.519 1.00 0.00 C ATOM 455 O ASP A 45 3.210 -2.904 12.621 1.00 0.00 O ATOM 456 CB ASP A 45 5.805 -4.109 10.948 1.00 0.00 C ATOM 457 CG ASP A 45 6.609 -3.767 12.204 1.00 0.00 C ATOM 458 OD1 ASP A 45 5.998 -3.599 13.246 1.00 0.00 O ATOM 459 OD2 ASP A 45 7.822 -3.683 12.103 1.00 0.00 O ATOM 0 H ASP A 45 4.356 -5.197 9.312 1.00 0.00 H new ATOM 0 HA ASP A 45 4.395 -5.091 12.294 1.00 0.00 H new ATOM 0 HB2 ASP A 45 6.303 -4.902 10.390 1.00 0.00 H new ATOM 0 HB3 ASP A 45 5.752 -3.241 10.290 1.00 0.00 H new ATOM 464 N LYS A 46 3.006 -2.787 10.436 1.00 0.00 N ATOM 465 CA LYS A 46 2.108 -1.601 10.531 1.00 0.00 C ATOM 466 C LYS A 46 1.175 -1.554 9.319 1.00 0.00 C ATOM 467 O LYS A 46 1.437 -2.162 8.300 1.00 0.00 O ATOM 468 CB LYS A 46 3.046 -0.393 10.535 1.00 0.00 C ATOM 469 CG LYS A 46 3.871 -0.384 9.247 1.00 0.00 C ATOM 470 CD LYS A 46 5.301 -0.835 9.554 1.00 0.00 C ATOM 471 CE LYS A 46 6.202 0.393 9.712 1.00 0.00 C ATOM 472 NZ LYS A 46 6.912 0.184 11.005 1.00 0.00 N ATOM 0 H LYS A 46 3.201 -3.108 9.487 1.00 0.00 H new ATOM 0 HA LYS A 46 1.477 -1.627 11.419 1.00 0.00 H new ATOM 0 HB2 LYS A 46 2.469 0.528 10.617 1.00 0.00 H new ATOM 0 HB3 LYS A 46 3.706 -0.434 11.402 1.00 0.00 H new ATOM 0 HG2 LYS A 46 3.420 -1.047 8.509 1.00 0.00 H new ATOM 0 HG3 LYS A 46 3.879 0.616 8.814 1.00 0.00 H new ATOM 0 HD2 LYS A 46 5.318 -1.431 10.466 1.00 0.00 H new ATOM 0 HD3 LYS A 46 5.673 -1.471 8.751 1.00 0.00 H new ATOM 0 HE2 LYS A 46 6.906 0.476 8.884 1.00 0.00 H new ATOM 0 HE3 LYS A 46 5.617 1.313 9.727 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 7.550 0.986 11.184 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 6.217 0.116 11.776 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 7.465 -0.695 10.959 1.00 0.00 H new ATOM 486 N LYS A 47 0.086 -0.841 9.418 1.00 0.00 N ATOM 487 CA LYS A 47 -0.858 -0.766 8.265 1.00 0.00 C ATOM 488 C LYS A 47 -0.982 0.677 7.777 1.00 0.00 C ATOM 489 O LYS A 47 -2.050 1.139 7.432 1.00 0.00 O ATOM 490 CB LYS A 47 -2.194 -1.267 8.815 1.00 0.00 C ATOM 491 CG LYS A 47 -2.035 -2.707 9.308 1.00 0.00 C ATOM 492 CD LYS A 47 -1.952 -2.719 10.835 1.00 0.00 C ATOM 493 CE LYS A 47 -2.935 -3.750 11.392 1.00 0.00 C ATOM 494 NZ LYS A 47 -3.042 -3.434 12.843 1.00 0.00 N ATOM 0 H LYS A 47 -0.191 -0.309 10.243 1.00 0.00 H new ATOM 0 HA LYS A 47 -0.521 -1.358 7.414 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -2.526 -0.626 9.632 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -2.959 -1.219 8.040 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -2.878 -3.312 8.975 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -1.136 -3.151 8.881 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -0.937 -2.960 11.153 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -2.183 -1.730 11.230 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -3.905 -3.677 10.899 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -2.573 -4.766 11.235 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -3.700 -4.100 13.296 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -2.105 -3.518 13.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -3.396 -2.463 12.962 1.00 0.00 H new ATOM 508 N LYS A 48 0.110 1.389 7.745 1.00 0.00 N ATOM 509 CA LYS A 48 0.078 2.806 7.279 1.00 0.00 C ATOM 510 C LYS A 48 1.470 3.209 6.793 1.00 0.00 C ATOM 511 O LYS A 48 2.387 3.359 7.575 1.00 0.00 O ATOM 512 CB LYS A 48 -0.297 3.643 8.510 1.00 0.00 C ATOM 513 CG LYS A 48 -1.423 2.969 9.295 1.00 0.00 C ATOM 514 CD LYS A 48 -1.825 3.859 10.472 1.00 0.00 C ATOM 515 CE LYS A 48 -1.358 3.217 11.780 1.00 0.00 C ATOM 516 NZ LYS A 48 -2.430 2.245 12.136 1.00 0.00 N ATOM 0 H LYS A 48 1.030 1.049 8.023 1.00 0.00 H new ATOM 0 HA LYS A 48 -0.628 2.951 6.461 1.00 0.00 H new ATOM 0 HB2 LYS A 48 0.576 3.769 9.151 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -0.610 4.639 8.198 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -2.281 2.796 8.646 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -1.096 1.994 9.657 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -1.381 4.849 10.362 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -2.906 3.994 10.487 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -0.398 2.717 11.654 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -1.227 3.965 12.562 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -2.181 1.764 13.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -3.331 2.750 12.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -2.527 1.541 11.376 1.00 0.00 H new ATOM 530 N TYR A 49 1.648 3.378 5.510 1.00 0.00 N ATOM 531 CA TYR A 49 2.999 3.760 5.011 1.00 0.00 C ATOM 532 C TYR A 49 3.043 5.241 4.645 1.00 0.00 C ATOM 533 O TYR A 49 2.111 5.792 4.094 1.00 0.00 O ATOM 534 CB TYR A 49 3.238 2.911 3.765 1.00 0.00 C ATOM 535 CG TYR A 49 3.413 1.466 4.157 1.00 0.00 C ATOM 536 CD1 TYR A 49 2.327 0.740 4.652 1.00 0.00 C ATOM 537 CD2 TYR A 49 4.665 0.859 4.035 1.00 0.00 C ATOM 538 CE1 TYR A 49 2.490 -0.597 5.028 1.00 0.00 C ATOM 539 CE2 TYR A 49 4.832 -0.480 4.408 1.00 0.00 C ATOM 540 CZ TYR A 49 3.744 -1.208 4.906 1.00 0.00 C ATOM 541 OH TYR A 49 3.908 -2.525 5.279 1.00 0.00 O ATOM 0 H TYR A 49 0.928 3.270 4.796 1.00 0.00 H new ATOM 0 HA TYR A 49 3.761 3.593 5.773 1.00 0.00 H new ATOM 0 HB2 TYR A 49 2.397 3.012 3.078 1.00 0.00 H new ATOM 0 HB3 TYR A 49 4.124 3.264 3.238 1.00 0.00 H new ATOM 0 HD1 TYR A 49 1.360 1.212 4.744 1.00 0.00 H new ATOM 0 HD2 TYR A 49 5.504 1.422 3.653 1.00 0.00 H new ATOM 0 HE1 TYR A 49 1.650 -1.157 5.412 1.00 0.00 H new ATOM 0 HE2 TYR A 49 5.799 -0.951 4.312 1.00 0.00 H new ATOM 0 HH TYR A 49 3.338 -3.096 4.723 1.00 0.00 H new ATOM 551 N LEU A 50 4.139 5.877 4.931 1.00 0.00 N ATOM 552 CA LEU A 50 4.291 7.317 4.588 1.00 0.00 C ATOM 553 C LEU A 50 5.224 7.425 3.385 1.00 0.00 C ATOM 554 O LEU A 50 6.420 7.243 3.498 1.00 0.00 O ATOM 555 CB LEU A 50 4.924 7.961 5.823 1.00 0.00 C ATOM 556 CG LEU A 50 4.449 9.410 5.944 1.00 0.00 C ATOM 557 CD1 LEU A 50 3.050 9.440 6.560 1.00 0.00 C ATOM 558 CD2 LEU A 50 5.417 10.188 6.838 1.00 0.00 C ATOM 0 H LEU A 50 4.946 5.458 5.393 1.00 0.00 H new ATOM 0 HA LEU A 50 3.349 7.803 4.333 1.00 0.00 H new ATOM 0 HB2 LEU A 50 4.651 7.402 6.718 1.00 0.00 H new ATOM 0 HB3 LEU A 50 6.011 7.929 5.746 1.00 0.00 H new ATOM 0 HG LEU A 50 4.418 9.867 4.955 1.00 0.00 H new ATOM 0 HD11 LEU A 50 2.712 10.473 6.646 1.00 0.00 H new ATOM 0 HD12 LEU A 50 2.361 8.884 5.924 1.00 0.00 H new ATOM 0 HD13 LEU A 50 3.078 8.984 7.550 1.00 0.00 H new ATOM 0 HD21 LEU A 50 5.081 11.221 6.926 1.00 0.00 H new ATOM 0 HD22 LEU A 50 5.446 9.731 7.827 1.00 0.00 H new ATOM 0 HD23 LEU A 50 6.414 10.167 6.399 1.00 0.00 H new ATOM 570 N VAL A 51 4.691 7.690 2.229 1.00 0.00 N ATOM 571 CA VAL A 51 5.561 7.771 1.024 1.00 0.00 C ATOM 572 C VAL A 51 5.256 9.037 0.224 1.00 0.00 C ATOM 573 O VAL A 51 4.123 9.460 0.137 1.00 0.00 O ATOM 574 CB VAL A 51 5.211 6.522 0.216 1.00 0.00 C ATOM 575 CG1 VAL A 51 5.381 5.277 1.096 1.00 0.00 C ATOM 576 CG2 VAL A 51 3.758 6.615 -0.257 1.00 0.00 C ATOM 0 H VAL A 51 3.698 7.853 2.065 1.00 0.00 H new ATOM 0 HA VAL A 51 6.620 7.816 1.278 1.00 0.00 H new ATOM 0 HB VAL A 51 5.873 6.450 -0.647 1.00 0.00 H new ATOM 0 HG11 VAL A 51 5.131 4.387 0.519 1.00 0.00 H new ATOM 0 HG12 VAL A 51 6.414 5.211 1.437 1.00 0.00 H new ATOM 0 HG13 VAL A 51 4.718 5.348 1.959 1.00 0.00 H new ATOM 0 HG21 VAL A 51 3.505 5.725 -0.834 1.00 0.00 H new ATOM 0 HG22 VAL A 51 3.098 6.687 0.607 1.00 0.00 H new ATOM 0 HG23 VAL A 51 3.635 7.500 -0.882 1.00 0.00 H new ATOM 586 N PRO A 52 6.289 9.598 -0.341 1.00 0.00 N ATOM 587 CA PRO A 52 6.135 10.831 -1.149 1.00 0.00 C ATOM 588 C PRO A 52 5.333 10.530 -2.419 1.00 0.00 C ATOM 589 O PRO A 52 5.433 9.465 -2.994 1.00 0.00 O ATOM 590 CB PRO A 52 7.576 11.234 -1.464 1.00 0.00 C ATOM 591 CG PRO A 52 8.356 9.965 -1.358 1.00 0.00 C ATOM 592 CD PRO A 52 7.682 9.142 -0.293 1.00 0.00 C ATOM 0 HA PRO A 52 5.591 11.626 -0.639 1.00 0.00 H new ATOM 0 HB2 PRO A 52 7.657 11.667 -2.461 1.00 0.00 H new ATOM 0 HB3 PRO A 52 7.941 11.983 -0.761 1.00 0.00 H new ATOM 0 HG2 PRO A 52 8.367 9.435 -2.310 1.00 0.00 H new ATOM 0 HG3 PRO A 52 9.394 10.168 -1.094 1.00 0.00 H new ATOM 0 HD2 PRO A 52 7.763 8.075 -0.499 1.00 0.00 H new ATOM 0 HD3 PRO A 52 8.127 9.312 0.688 1.00 0.00 H new ATOM 600 N SER A 53 4.517 11.455 -2.840 1.00 0.00 N ATOM 601 CA SER A 53 3.678 11.232 -4.055 1.00 0.00 C ATOM 602 C SER A 53 4.541 11.003 -5.304 1.00 0.00 C ATOM 603 O SER A 53 4.053 10.565 -6.326 1.00 0.00 O ATOM 604 CB SER A 53 2.867 12.520 -4.199 1.00 0.00 C ATOM 605 OG SER A 53 1.644 12.388 -3.487 1.00 0.00 O ATOM 0 H SER A 53 4.393 12.363 -2.393 1.00 0.00 H new ATOM 0 HA SER A 53 3.053 10.345 -3.956 1.00 0.00 H new ATOM 0 HB2 SER A 53 3.436 13.366 -3.814 1.00 0.00 H new ATOM 0 HB3 SER A 53 2.668 12.722 -5.251 1.00 0.00 H new ATOM 0 HG SER A 53 1.123 13.213 -3.576 1.00 0.00 H new ATOM 611 N ASP A 54 5.807 11.303 -5.238 1.00 0.00 N ATOM 612 CA ASP A 54 6.682 11.110 -6.434 1.00 0.00 C ATOM 613 C ASP A 54 7.173 9.661 -6.529 1.00 0.00 C ATOM 614 O ASP A 54 7.670 9.233 -7.552 1.00 0.00 O ATOM 615 CB ASP A 54 7.861 12.059 -6.211 1.00 0.00 C ATOM 616 CG ASP A 54 8.402 12.529 -7.562 1.00 0.00 C ATOM 617 OD1 ASP A 54 8.110 11.880 -8.553 1.00 0.00 O ATOM 618 OD2 ASP A 54 9.101 13.529 -7.583 1.00 0.00 O ATOM 0 H ASP A 54 6.276 11.673 -4.411 1.00 0.00 H new ATOM 0 HA ASP A 54 6.151 11.316 -7.363 1.00 0.00 H new ATOM 0 HB2 ASP A 54 7.544 12.916 -5.616 1.00 0.00 H new ATOM 0 HB3 ASP A 54 8.646 11.554 -5.649 1.00 0.00 H new ATOM 623 N LEU A 55 7.052 8.906 -5.473 1.00 0.00 N ATOM 624 CA LEU A 55 7.528 7.491 -5.510 1.00 0.00 C ATOM 625 C LEU A 55 6.762 6.675 -6.549 1.00 0.00 C ATOM 626 O LEU A 55 5.579 6.858 -6.757 1.00 0.00 O ATOM 627 CB LEU A 55 7.254 6.923 -4.115 1.00 0.00 C ATOM 628 CG LEU A 55 8.558 6.847 -3.323 1.00 0.00 C ATOM 629 CD1 LEU A 55 8.323 6.062 -2.033 1.00 0.00 C ATOM 630 CD2 LEU A 55 9.628 6.135 -4.156 1.00 0.00 C ATOM 0 H LEU A 55 6.645 9.205 -4.587 1.00 0.00 H new ATOM 0 HA LEU A 55 8.583 7.446 -5.780 1.00 0.00 H new ATOM 0 HB2 LEU A 55 6.535 7.553 -3.591 1.00 0.00 H new ATOM 0 HB3 LEU A 55 6.809 5.931 -4.197 1.00 0.00 H new ATOM 0 HG LEU A 55 8.894 7.857 -3.086 1.00 0.00 H new ATOM 0 HD11 LEU A 55 9.252 6.007 -1.466 1.00 0.00 H new ATOM 0 HD12 LEU A 55 7.563 6.564 -1.435 1.00 0.00 H new ATOM 0 HD13 LEU A 55 7.986 5.054 -2.276 1.00 0.00 H new ATOM 0 HD21 LEU A 55 10.557 6.083 -3.588 1.00 0.00 H new ATOM 0 HD22 LEU A 55 9.292 5.126 -4.395 1.00 0.00 H new ATOM 0 HD23 LEU A 55 9.798 6.689 -5.079 1.00 0.00 H new ATOM 642 N THR A 56 7.432 5.756 -7.187 1.00 0.00 N ATOM 643 CA THR A 56 6.756 4.899 -8.199 1.00 0.00 C ATOM 644 C THR A 56 6.208 3.638 -7.522 1.00 0.00 C ATOM 645 O THR A 56 6.562 3.319 -6.400 1.00 0.00 O ATOM 646 CB THR A 56 7.846 4.539 -9.211 1.00 0.00 C ATOM 647 OG1 THR A 56 9.085 4.381 -8.534 1.00 0.00 O ATOM 648 CG2 THR A 56 7.969 5.652 -10.251 1.00 0.00 C ATOM 0 H THR A 56 8.424 5.561 -7.050 1.00 0.00 H new ATOM 0 HA THR A 56 5.915 5.401 -8.678 1.00 0.00 H new ATOM 0 HB THR A 56 7.583 3.607 -9.711 1.00 0.00 H new ATOM 0 HG1 THR A 56 9.784 4.149 -9.181 1.00 0.00 H new ATOM 0 HG21 THR A 56 8.746 5.393 -10.971 1.00 0.00 H new ATOM 0 HG22 THR A 56 7.018 5.771 -10.771 1.00 0.00 H new ATOM 0 HG23 THR A 56 8.231 6.586 -9.755 1.00 0.00 H new ATOM 656 N VAL A 57 5.352 2.917 -8.189 1.00 0.00 N ATOM 657 CA VAL A 57 4.787 1.680 -7.580 1.00 0.00 C ATOM 658 C VAL A 57 5.910 0.689 -7.260 1.00 0.00 C ATOM 659 O VAL A 57 5.788 -0.135 -6.377 1.00 0.00 O ATOM 660 CB VAL A 57 3.853 1.107 -8.647 1.00 0.00 C ATOM 661 CG1 VAL A 57 3.444 -0.314 -8.257 1.00 0.00 C ATOM 662 CG2 VAL A 57 2.605 1.986 -8.754 1.00 0.00 C ATOM 0 H VAL A 57 5.019 3.130 -9.129 1.00 0.00 H new ATOM 0 HA VAL A 57 4.264 1.880 -6.645 1.00 0.00 H new ATOM 0 HB VAL A 57 4.367 1.085 -9.608 1.00 0.00 H new ATOM 0 HG11 VAL A 57 2.778 -0.723 -9.017 1.00 0.00 H new ATOM 0 HG12 VAL A 57 4.333 -0.940 -8.179 1.00 0.00 H new ATOM 0 HG13 VAL A 57 2.929 -0.294 -7.297 1.00 0.00 H new ATOM 0 HG21 VAL A 57 1.938 1.580 -9.514 1.00 0.00 H new ATOM 0 HG22 VAL A 57 2.091 2.006 -7.793 1.00 0.00 H new ATOM 0 HG23 VAL A 57 2.896 2.999 -9.031 1.00 0.00 H new ATOM 672 N GLY A 58 7.000 0.762 -7.975 1.00 0.00 N ATOM 673 CA GLY A 58 8.129 -0.177 -7.715 1.00 0.00 C ATOM 674 C GLY A 58 8.738 0.104 -6.339 1.00 0.00 C ATOM 675 O GLY A 58 9.068 -0.802 -5.600 1.00 0.00 O ATOM 0 H GLY A 58 7.158 1.432 -8.728 1.00 0.00 H new ATOM 0 HA2 GLY A 58 7.774 -1.207 -7.761 1.00 0.00 H new ATOM 0 HA3 GLY A 58 8.890 -0.067 -8.488 1.00 0.00 H new ATOM 679 N GLN A 59 8.892 1.352 -5.986 1.00 0.00 N ATOM 680 CA GLN A 59 9.484 1.683 -4.655 1.00 0.00 C ATOM 681 C GLN A 59 8.530 1.264 -3.533 1.00 0.00 C ATOM 682 O GLN A 59 8.917 0.597 -2.583 1.00 0.00 O ATOM 683 CB GLN A 59 9.662 3.199 -4.667 1.00 0.00 C ATOM 684 CG GLN A 59 10.510 3.602 -5.874 1.00 0.00 C ATOM 685 CD GLN A 59 11.774 4.318 -5.394 1.00 0.00 C ATOM 686 OE1 GLN A 59 11.962 4.516 -4.211 1.00 0.00 O ATOM 687 NE2 GLN A 59 12.655 4.718 -6.270 1.00 0.00 N ATOM 0 H GLN A 59 8.635 2.156 -6.559 1.00 0.00 H new ATOM 0 HA GLN A 59 10.426 1.163 -4.482 1.00 0.00 H new ATOM 0 HB2 GLN A 59 8.690 3.690 -4.712 1.00 0.00 H new ATOM 0 HB3 GLN A 59 10.143 3.527 -3.745 1.00 0.00 H new ATOM 0 HG2 GLN A 59 10.778 2.719 -6.455 1.00 0.00 H new ATOM 0 HG3 GLN A 59 9.937 4.255 -6.532 1.00 0.00 H new ATOM 0 HE21 GLN A 59 12.498 4.552 -7.264 1.00 0.00 H new ATOM 0 HE22 GLN A 59 13.501 5.197 -5.961 1.00 0.00 H new ATOM 696 N PHE A 60 7.283 1.642 -3.627 1.00 0.00 N ATOM 697 CA PHE A 60 6.335 1.248 -2.554 1.00 0.00 C ATOM 698 C PHE A 60 6.260 -0.275 -2.474 1.00 0.00 C ATOM 699 O PHE A 60 6.110 -0.838 -1.416 1.00 0.00 O ATOM 700 CB PHE A 60 4.973 1.829 -2.936 1.00 0.00 C ATOM 701 CG PHE A 60 4.010 1.523 -1.815 1.00 0.00 C ATOM 702 CD1 PHE A 60 4.281 1.987 -0.522 1.00 0.00 C ATOM 703 CD2 PHE A 60 2.868 0.750 -2.055 1.00 0.00 C ATOM 704 CE1 PHE A 60 3.412 1.682 0.530 1.00 0.00 C ATOM 705 CE2 PHE A 60 2.002 0.439 -1.000 1.00 0.00 C ATOM 706 CZ PHE A 60 2.275 0.907 0.293 1.00 0.00 C ATOM 0 H PHE A 60 6.888 2.196 -4.387 1.00 0.00 H new ATOM 0 HA PHE A 60 6.654 1.621 -1.581 1.00 0.00 H new ATOM 0 HB2 PHE A 60 5.047 2.905 -3.093 1.00 0.00 H new ATOM 0 HB3 PHE A 60 4.621 1.394 -3.871 1.00 0.00 H new ATOM 0 HD1 PHE A 60 5.163 2.582 -0.337 1.00 0.00 H new ATOM 0 HD2 PHE A 60 2.655 0.394 -3.052 1.00 0.00 H new ATOM 0 HE1 PHE A 60 3.620 2.046 1.525 1.00 0.00 H new ATOM 0 HE2 PHE A 60 1.123 -0.162 -1.182 1.00 0.00 H new ATOM 0 HZ PHE A 60 1.606 0.668 1.106 1.00 0.00 H new ATOM 716 N TYR A 61 6.379 -0.951 -3.581 1.00 0.00 N ATOM 717 CA TYR A 61 6.327 -2.436 -3.544 1.00 0.00 C ATOM 718 C TYR A 61 7.503 -2.973 -2.732 1.00 0.00 C ATOM 719 O TYR A 61 7.432 -4.029 -2.134 1.00 0.00 O ATOM 720 CB TYR A 61 6.435 -2.869 -5.004 1.00 0.00 C ATOM 721 CG TYR A 61 5.304 -3.810 -5.337 1.00 0.00 C ATOM 722 CD1 TYR A 61 5.321 -5.124 -4.855 1.00 0.00 C ATOM 723 CD2 TYR A 61 4.239 -3.370 -6.131 1.00 0.00 C ATOM 724 CE1 TYR A 61 4.273 -5.998 -5.166 1.00 0.00 C ATOM 725 CE2 TYR A 61 3.191 -4.242 -6.444 1.00 0.00 C ATOM 726 CZ TYR A 61 3.207 -5.556 -5.961 1.00 0.00 C ATOM 727 OH TYR A 61 2.173 -6.417 -6.269 1.00 0.00 O ATOM 0 H TYR A 61 6.509 -0.541 -4.506 1.00 0.00 H new ATOM 0 HA TYR A 61 5.417 -2.814 -3.077 1.00 0.00 H new ATOM 0 HB2 TYR A 61 6.400 -1.996 -5.656 1.00 0.00 H new ATOM 0 HB3 TYR A 61 7.393 -3.359 -5.179 1.00 0.00 H new ATOM 0 HD1 TYR A 61 6.143 -5.464 -4.243 1.00 0.00 H new ATOM 0 HD2 TYR A 61 4.226 -2.356 -6.503 1.00 0.00 H new ATOM 0 HE1 TYR A 61 4.286 -7.012 -4.794 1.00 0.00 H new ATOM 0 HE2 TYR A 61 2.370 -3.902 -7.058 1.00 0.00 H new ATOM 0 HH TYR A 61 1.564 -6.484 -5.504 1.00 0.00 H new ATOM 737 N PHE A 62 8.585 -2.248 -2.699 1.00 0.00 N ATOM 738 CA PHE A 62 9.763 -2.711 -1.921 1.00 0.00 C ATOM 739 C PHE A 62 9.474 -2.628 -0.422 1.00 0.00 C ATOM 740 O PHE A 62 9.644 -3.587 0.304 1.00 0.00 O ATOM 741 CB PHE A 62 10.894 -1.756 -2.303 1.00 0.00 C ATOM 742 CG PHE A 62 12.223 -2.437 -2.075 1.00 0.00 C ATOM 743 CD1 PHE A 62 12.828 -2.386 -0.814 1.00 0.00 C ATOM 744 CD2 PHE A 62 12.848 -3.121 -3.124 1.00 0.00 C ATOM 745 CE1 PHE A 62 14.059 -3.017 -0.602 1.00 0.00 C ATOM 746 CE2 PHE A 62 14.079 -3.754 -2.913 1.00 0.00 C ATOM 747 CZ PHE A 62 14.685 -3.702 -1.651 1.00 0.00 C ATOM 0 H PHE A 62 8.703 -1.355 -3.178 1.00 0.00 H new ATOM 0 HA PHE A 62 10.017 -3.749 -2.138 1.00 0.00 H new ATOM 0 HB2 PHE A 62 10.798 -1.461 -3.348 1.00 0.00 H new ATOM 0 HB3 PHE A 62 10.833 -0.845 -1.708 1.00 0.00 H new ATOM 0 HD1 PHE A 62 12.345 -1.860 -0.004 1.00 0.00 H new ATOM 0 HD2 PHE A 62 12.381 -3.161 -4.097 1.00 0.00 H new ATOM 0 HE1 PHE A 62 14.526 -2.976 0.371 1.00 0.00 H new ATOM 0 HE2 PHE A 62 14.561 -4.282 -3.723 1.00 0.00 H new ATOM 0 HZ PHE A 62 15.634 -4.190 -1.487 1.00 0.00 H new ATOM 757 N LEU A 63 9.060 -1.484 0.060 1.00 0.00 N ATOM 758 CA LEU A 63 8.799 -1.369 1.534 1.00 0.00 C ATOM 759 C LEU A 63 7.723 -2.362 2.018 1.00 0.00 C ATOM 760 O LEU A 63 7.845 -2.906 3.097 1.00 0.00 O ATOM 761 CB LEU A 63 8.390 0.087 1.827 1.00 0.00 C ATOM 762 CG LEU A 63 7.347 0.600 0.834 1.00 0.00 C ATOM 763 CD1 LEU A 63 5.965 0.592 1.489 1.00 0.00 C ATOM 764 CD2 LEU A 63 7.712 2.034 0.437 1.00 0.00 C ATOM 0 H LEU A 63 8.893 -0.639 -0.486 1.00 0.00 H new ATOM 0 HA LEU A 63 9.705 -1.627 2.082 1.00 0.00 H new ATOM 0 HB2 LEU A 63 7.991 0.155 2.839 1.00 0.00 H new ATOM 0 HB3 LEU A 63 9.272 0.726 1.789 1.00 0.00 H new ATOM 0 HG LEU A 63 7.329 -0.041 -0.048 1.00 0.00 H new ATOM 0 HD11 LEU A 63 5.224 0.958 0.779 1.00 0.00 H new ATOM 0 HD12 LEU A 63 5.710 -0.425 1.788 1.00 0.00 H new ATOM 0 HD13 LEU A 63 5.975 1.237 2.368 1.00 0.00 H new ATOM 0 HD21 LEU A 63 6.976 2.414 -0.272 1.00 0.00 H new ATOM 0 HD22 LEU A 63 7.721 2.666 1.325 1.00 0.00 H new ATOM 0 HD23 LEU A 63 8.699 2.044 -0.025 1.00 0.00 H new ATOM 776 N ILE A 64 6.685 -2.637 1.261 1.00 0.00 N ATOM 777 CA ILE A 64 5.679 -3.630 1.780 1.00 0.00 C ATOM 778 C ILE A 64 6.303 -5.023 1.768 1.00 0.00 C ATOM 779 O ILE A 64 6.036 -5.840 2.626 1.00 0.00 O ATOM 780 CB ILE A 64 4.446 -3.633 0.860 1.00 0.00 C ATOM 781 CG1 ILE A 64 4.267 -2.287 0.147 1.00 0.00 C ATOM 782 CG2 ILE A 64 3.206 -3.937 1.711 1.00 0.00 C ATOM 783 CD1 ILE A 64 2.814 -2.133 -0.316 1.00 0.00 C ATOM 0 H ILE A 64 6.492 -2.237 0.343 1.00 0.00 H new ATOM 0 HA ILE A 64 5.385 -3.358 2.794 1.00 0.00 H new ATOM 0 HB ILE A 64 4.584 -4.394 0.092 1.00 0.00 H new ATOM 0 HG12 ILE A 64 4.532 -1.471 0.819 1.00 0.00 H new ATOM 0 HG13 ILE A 64 4.939 -2.226 -0.709 1.00 0.00 H new ATOM 0 HG21 ILE A 64 2.321 -3.943 1.075 1.00 0.00 H new ATOM 0 HG22 ILE A 64 3.320 -4.912 2.184 1.00 0.00 H new ATOM 0 HG23 ILE A 64 3.095 -3.172 2.479 1.00 0.00 H new ATOM 0 HD11 ILE A 64 2.693 -1.175 -0.822 1.00 0.00 H new ATOM 0 HD12 ILE A 64 2.564 -2.941 -1.004 1.00 0.00 H new ATOM 0 HD13 ILE A 64 2.151 -2.174 0.548 1.00 0.00 H new ATOM 795 N ARG A 65 7.124 -5.298 0.789 1.00 0.00 N ATOM 796 CA ARG A 65 7.773 -6.641 0.696 1.00 0.00 C ATOM 797 C ARG A 65 8.137 -7.166 2.088 1.00 0.00 C ATOM 798 O ARG A 65 7.628 -8.175 2.533 1.00 0.00 O ATOM 799 CB ARG A 65 9.037 -6.410 -0.133 1.00 0.00 C ATOM 800 CG ARG A 65 9.193 -7.537 -1.155 1.00 0.00 C ATOM 801 CD ARG A 65 9.897 -7.000 -2.403 1.00 0.00 C ATOM 802 NE ARG A 65 11.347 -7.223 -2.152 1.00 0.00 N ATOM 803 CZ ARG A 65 12.061 -7.898 -3.010 1.00 0.00 C ATOM 804 NH1 ARG A 65 12.072 -7.549 -4.267 1.00 0.00 N ATOM 805 NH2 ARG A 65 12.765 -8.922 -2.612 1.00 0.00 N ATOM 0 H ARG A 65 7.375 -4.647 0.045 1.00 0.00 H new ATOM 0 HA ARG A 65 7.112 -7.382 0.246 1.00 0.00 H new ATOM 0 HB2 ARG A 65 8.979 -5.448 -0.643 1.00 0.00 H new ATOM 0 HB3 ARG A 65 9.910 -6.373 0.519 1.00 0.00 H new ATOM 0 HG2 ARG A 65 9.768 -8.356 -0.724 1.00 0.00 H new ATOM 0 HG3 ARG A 65 8.215 -7.939 -1.421 1.00 0.00 H new ATOM 0 HD2 ARG A 65 9.566 -7.525 -3.299 1.00 0.00 H new ATOM 0 HD3 ARG A 65 9.680 -5.942 -2.554 1.00 0.00 H new ATOM 0 HE ARG A 65 11.782 -6.848 -1.309 1.00 0.00 H new ATOM 0 HH11 ARG A 65 11.522 -6.748 -4.579 1.00 0.00 H new ATOM 0 HH12 ARG A 65 12.630 -8.077 -4.938 1.00 0.00 H new ATOM 0 HH21 ARG A 65 12.757 -9.195 -1.629 1.00 0.00 H new ATOM 0 HH22 ARG A 65 13.323 -9.449 -3.284 1.00 0.00 H new ATOM 817 N LYS A 66 9.014 -6.490 2.779 1.00 0.00 N ATOM 818 CA LYS A 66 9.407 -6.956 4.142 1.00 0.00 C ATOM 819 C LYS A 66 8.204 -6.906 5.084 1.00 0.00 C ATOM 820 O LYS A 66 8.088 -7.694 6.001 1.00 0.00 O ATOM 821 CB LYS A 66 10.487 -5.974 4.598 1.00 0.00 C ATOM 822 CG LYS A 66 11.868 -6.590 4.365 1.00 0.00 C ATOM 823 CD LYS A 66 12.689 -5.670 3.461 1.00 0.00 C ATOM 824 CE LYS A 66 13.969 -5.250 4.186 1.00 0.00 C ATOM 825 NZ LYS A 66 14.657 -4.321 3.248 1.00 0.00 N ATOM 0 H LYS A 66 9.475 -5.637 2.461 1.00 0.00 H new ATOM 0 HA LYS A 66 9.766 -7.985 4.140 1.00 0.00 H new ATOM 0 HB2 LYS A 66 10.397 -5.037 4.048 1.00 0.00 H new ATOM 0 HB3 LYS A 66 10.356 -5.737 5.654 1.00 0.00 H new ATOM 0 HG2 LYS A 66 12.379 -6.734 5.317 1.00 0.00 H new ATOM 0 HG3 LYS A 66 11.767 -7.573 3.906 1.00 0.00 H new ATOM 0 HD2 LYS A 66 12.937 -6.183 2.532 1.00 0.00 H new ATOM 0 HD3 LYS A 66 12.105 -4.790 3.194 1.00 0.00 H new ATOM 0 HE2 LYS A 66 13.743 -4.759 5.133 1.00 0.00 H new ATOM 0 HE3 LYS A 66 14.594 -6.113 4.416 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 15.545 -3.990 3.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 14.866 -4.818 2.358 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 14.042 -3.506 3.053 1.00 0.00 H new ATOM 839 N ARG A 67 7.306 -5.987 4.865 1.00 0.00 N ATOM 840 CA ARG A 67 6.108 -5.891 5.748 1.00 0.00 C ATOM 841 C ARG A 67 5.212 -7.115 5.547 1.00 0.00 C ATOM 842 O ARG A 67 4.371 -7.423 6.367 1.00 0.00 O ATOM 843 CB ARG A 67 5.386 -4.619 5.306 1.00 0.00 C ATOM 844 CG ARG A 67 6.364 -3.442 5.329 1.00 0.00 C ATOM 845 CD ARG A 67 6.243 -2.702 6.664 1.00 0.00 C ATOM 846 NE ARG A 67 6.955 -3.564 7.646 1.00 0.00 N ATOM 847 CZ ARG A 67 8.183 -3.284 7.992 1.00 0.00 C ATOM 848 NH1 ARG A 67 9.153 -3.422 7.130 1.00 0.00 N ATOM 849 NH2 ARG A 67 8.439 -2.866 9.201 1.00 0.00 N ATOM 0 H ARG A 67 7.349 -5.298 4.114 1.00 0.00 H new ATOM 0 HA ARG A 67 6.374 -5.858 6.805 1.00 0.00 H new ATOM 0 HB2 ARG A 67 4.980 -4.749 4.303 1.00 0.00 H new ATOM 0 HB3 ARG A 67 4.543 -4.418 5.967 1.00 0.00 H new ATOM 0 HG2 ARG A 67 7.384 -3.801 5.191 1.00 0.00 H new ATOM 0 HG3 ARG A 67 6.151 -2.762 4.504 1.00 0.00 H new ATOM 0 HD2 ARG A 67 6.694 -1.711 6.609 1.00 0.00 H new ATOM 0 HD3 ARG A 67 5.199 -2.562 6.945 1.00 0.00 H new ATOM 0 HE ARG A 67 6.484 -4.374 8.049 1.00 0.00 H new ATOM 0 HH11 ARG A 67 8.953 -3.749 6.185 1.00 0.00 H new ATOM 0 HH12 ARG A 67 10.112 -3.203 7.401 1.00 0.00 H new ATOM 0 HH21 ARG A 67 7.681 -2.758 9.875 1.00 0.00 H new ATOM 0 HH22 ARG A 67 9.397 -2.647 9.473 1.00 0.00 H new ATOM 861 N ILE A 68 5.393 -7.821 4.464 1.00 0.00 N ATOM 862 CA ILE A 68 4.562 -9.031 4.211 1.00 0.00 C ATOM 863 C ILE A 68 5.387 -10.284 4.506 1.00 0.00 C ATOM 864 O ILE A 68 5.040 -11.379 4.112 1.00 0.00 O ATOM 865 CB ILE A 68 4.204 -8.957 2.728 1.00 0.00 C ATOM 866 CG1 ILE A 68 3.213 -7.813 2.498 1.00 0.00 C ATOM 867 CG2 ILE A 68 3.564 -10.272 2.284 1.00 0.00 C ATOM 868 CD1 ILE A 68 2.800 -7.784 1.027 1.00 0.00 C ATOM 0 H ILE A 68 6.082 -7.611 3.742 1.00 0.00 H new ATOM 0 HA ILE A 68 3.672 -9.074 4.838 1.00 0.00 H new ATOM 0 HB ILE A 68 5.111 -8.781 2.150 1.00 0.00 H new ATOM 0 HG12 ILE A 68 2.335 -7.945 3.131 1.00 0.00 H new ATOM 0 HG13 ILE A 68 3.667 -6.863 2.778 1.00 0.00 H new ATOM 0 HG21 ILE A 68 3.310 -10.214 1.225 1.00 0.00 H new ATOM 0 HG22 ILE A 68 4.265 -11.091 2.445 1.00 0.00 H new ATOM 0 HG23 ILE A 68 2.659 -10.450 2.865 1.00 0.00 H new ATOM 0 HD11 ILE A 68 2.094 -6.970 0.863 1.00 0.00 H new ATOM 0 HD12 ILE A 68 3.682 -7.631 0.405 1.00 0.00 H new ATOM 0 HD13 ILE A 68 2.329 -8.731 0.763 1.00 0.00 H new ATOM 880 N HIS A 69 6.486 -10.121 5.190 1.00 0.00 N ATOM 881 CA HIS A 69 7.352 -11.287 5.515 1.00 0.00 C ATOM 882 C HIS A 69 7.556 -12.155 4.277 1.00 0.00 C ATOM 883 O HIS A 69 7.733 -13.354 4.365 1.00 0.00 O ATOM 884 CB HIS A 69 6.605 -12.057 6.604 1.00 0.00 C ATOM 885 CG HIS A 69 7.508 -12.253 7.791 1.00 0.00 C ATOM 886 ND1 HIS A 69 8.296 -11.231 8.295 1.00 0.00 N ATOM 887 CD2 HIS A 69 7.758 -13.346 8.584 1.00 0.00 C ATOM 888 CE1 HIS A 69 8.976 -11.725 9.346 1.00 0.00 C ATOM 889 NE2 HIS A 69 8.685 -13.009 9.566 1.00 0.00 N ATOM 0 H HIS A 69 6.822 -9.224 5.539 1.00 0.00 H new ATOM 0 HA HIS A 69 8.343 -10.981 5.851 1.00 0.00 H new ATOM 0 HB2 HIS A 69 5.710 -11.511 6.901 1.00 0.00 H new ATOM 0 HB3 HIS A 69 6.276 -13.023 6.221 1.00 0.00 H new ATOM 0 HD2 HIS A 69 7.304 -14.319 8.464 1.00 0.00 H new ATOM 0 HE1 HIS A 69 9.673 -11.152 9.940 1.00 0.00 H new ATOM 0 HE2 HIS A 69 9.061 -13.613 10.297 1.00 0.00 H new ATOM 897 N LEU A 70 7.545 -11.554 3.123 1.00 0.00 N ATOM 898 CA LEU A 70 7.755 -12.340 1.873 1.00 0.00 C ATOM 899 C LEU A 70 9.128 -12.018 1.282 1.00 0.00 C ATOM 900 O LEU A 70 9.685 -10.964 1.520 1.00 0.00 O ATOM 901 CB LEU A 70 6.634 -11.920 0.917 1.00 0.00 C ATOM 902 CG LEU A 70 6.787 -10.445 0.526 1.00 0.00 C ATOM 903 CD1 LEU A 70 7.886 -10.301 -0.529 1.00 0.00 C ATOM 904 CD2 LEU A 70 5.468 -9.938 -0.060 1.00 0.00 C ATOM 0 H LEU A 70 7.400 -10.553 2.988 1.00 0.00 H new ATOM 0 HA LEU A 70 7.728 -13.414 2.056 1.00 0.00 H new ATOM 0 HB2 LEU A 70 6.657 -12.544 0.023 1.00 0.00 H new ATOM 0 HB3 LEU A 70 5.665 -12.078 1.391 1.00 0.00 H new ATOM 0 HG LEU A 70 7.051 -9.865 1.410 1.00 0.00 H new ATOM 0 HD11 LEU A 70 7.991 -9.251 -0.804 1.00 0.00 H new ATOM 0 HD12 LEU A 70 8.830 -10.666 -0.124 1.00 0.00 H new ATOM 0 HD13 LEU A 70 7.621 -10.882 -1.412 1.00 0.00 H new ATOM 0 HD21 LEU A 70 5.573 -8.890 -0.339 1.00 0.00 H new ATOM 0 HD22 LEU A 70 5.213 -10.525 -0.942 1.00 0.00 H new ATOM 0 HD23 LEU A 70 4.677 -10.038 0.684 1.00 0.00 H new ATOM 916 N ARG A 71 9.682 -12.918 0.519 1.00 0.00 N ATOM 917 CA ARG A 71 11.025 -12.659 -0.076 1.00 0.00 C ATOM 918 C ARG A 71 11.328 -13.670 -1.188 1.00 0.00 C ATOM 919 O ARG A 71 10.469 -14.413 -1.620 1.00 0.00 O ATOM 920 CB ARG A 71 12.002 -12.832 1.092 1.00 0.00 C ATOM 921 CG ARG A 71 12.194 -14.323 1.386 1.00 0.00 C ATOM 922 CD ARG A 71 13.310 -14.503 2.417 1.00 0.00 C ATOM 923 NE ARG A 71 12.824 -13.799 3.636 1.00 0.00 N ATOM 924 CZ ARG A 71 12.936 -14.368 4.805 1.00 0.00 C ATOM 925 NH1 ARG A 71 14.117 -14.655 5.281 1.00 0.00 N ATOM 926 NH2 ARG A 71 11.867 -14.648 5.498 1.00 0.00 N ATOM 0 H ARG A 71 9.266 -13.819 0.282 1.00 0.00 H new ATOM 0 HA ARG A 71 11.093 -11.671 -0.531 1.00 0.00 H new ATOM 0 HB2 ARG A 71 12.960 -12.373 0.849 1.00 0.00 H new ATOM 0 HB3 ARG A 71 11.620 -12.323 1.977 1.00 0.00 H new ATOM 0 HG2 ARG A 71 11.265 -14.752 1.762 1.00 0.00 H new ATOM 0 HG3 ARG A 71 12.443 -14.856 0.468 1.00 0.00 H new ATOM 0 HD2 ARG A 71 13.496 -15.558 2.618 1.00 0.00 H new ATOM 0 HD3 ARG A 71 14.248 -14.076 2.062 1.00 0.00 H new ATOM 0 HE ARG A 71 12.404 -12.873 3.557 1.00 0.00 H new ATOM 0 HH11 ARG A 71 14.953 -14.434 4.739 1.00 0.00 H new ATOM 0 HH12 ARG A 71 14.204 -15.100 6.195 1.00 0.00 H new ATOM 0 HH21 ARG A 71 10.944 -14.422 5.126 1.00 0.00 H new ATOM 0 HH22 ARG A 71 11.954 -15.093 6.412 1.00 0.00 H new ATOM 938 N ALA A 72 12.553 -13.708 -1.643 1.00 0.00 N ATOM 939 CA ALA A 72 12.930 -14.674 -2.714 1.00 0.00 C ATOM 940 C ALA A 72 11.917 -14.636 -3.860 1.00 0.00 C ATOM 941 O ALA A 72 12.042 -13.855 -4.783 1.00 0.00 O ATOM 942 CB ALA A 72 12.926 -16.041 -2.029 1.00 0.00 C ATOM 0 H ALA A 72 13.311 -13.108 -1.317 1.00 0.00 H new ATOM 0 HA ALA A 72 13.899 -14.440 -3.155 1.00 0.00 H new ATOM 0 HB1 ALA A 72 13.195 -16.811 -2.752 1.00 0.00 H new ATOM 0 HB2 ALA A 72 13.649 -16.041 -1.213 1.00 0.00 H new ATOM 0 HB3 ALA A 72 11.932 -16.246 -1.633 1.00 0.00 H new ATOM 948 N GLU A 73 10.921 -15.478 -3.823 1.00 0.00 N ATOM 949 CA GLU A 73 9.919 -15.487 -4.925 1.00 0.00 C ATOM 950 C GLU A 73 8.524 -15.836 -4.395 1.00 0.00 C ATOM 951 O GLU A 73 7.807 -16.619 -4.985 1.00 0.00 O ATOM 952 CB GLU A 73 10.423 -16.566 -5.887 1.00 0.00 C ATOM 953 CG GLU A 73 10.033 -17.954 -5.367 1.00 0.00 C ATOM 954 CD GLU A 73 11.016 -18.995 -5.907 1.00 0.00 C ATOM 955 OE1 GLU A 73 12.151 -18.995 -5.461 1.00 0.00 O ATOM 956 OE2 GLU A 73 10.616 -19.775 -6.755 1.00 0.00 O ATOM 0 H GLU A 73 10.758 -16.158 -3.080 1.00 0.00 H new ATOM 0 HA GLU A 73 9.823 -14.513 -5.406 1.00 0.00 H new ATOM 0 HB2 GLU A 73 9.999 -16.408 -6.879 1.00 0.00 H new ATOM 0 HB3 GLU A 73 11.506 -16.498 -5.989 1.00 0.00 H new ATOM 0 HG2 GLU A 73 10.041 -17.961 -4.277 1.00 0.00 H new ATOM 0 HG3 GLU A 73 9.018 -18.200 -5.680 1.00 0.00 H new ATOM 963 N ASP A 74 8.129 -15.258 -3.296 1.00 0.00 N ATOM 964 CA ASP A 74 6.776 -15.560 -2.748 1.00 0.00 C ATOM 965 C ASP A 74 5.704 -15.011 -3.679 1.00 0.00 C ATOM 966 O ASP A 74 5.980 -14.367 -4.671 1.00 0.00 O ATOM 967 CB ASP A 74 6.736 -14.877 -1.372 1.00 0.00 C ATOM 968 CG ASP A 74 5.339 -14.335 -1.050 1.00 0.00 C ATOM 969 OD1 ASP A 74 4.924 -13.393 -1.706 1.00 0.00 O ATOM 970 OD2 ASP A 74 4.708 -14.872 -0.154 1.00 0.00 O ATOM 0 H ASP A 74 8.681 -14.592 -2.755 1.00 0.00 H new ATOM 0 HA ASP A 74 6.588 -16.630 -2.659 1.00 0.00 H new ATOM 0 HB2 ASP A 74 7.037 -15.589 -0.603 1.00 0.00 H new ATOM 0 HB3 ASP A 74 7.458 -14.060 -1.350 1.00 0.00 H new ATOM 975 N ALA A 75 4.485 -15.268 -3.346 1.00 0.00 N ATOM 976 CA ALA A 75 3.353 -14.774 -4.182 1.00 0.00 C ATOM 977 C ALA A 75 2.737 -13.529 -3.545 1.00 0.00 C ATOM 978 O ALA A 75 2.593 -13.441 -2.342 1.00 0.00 O ATOM 979 CB ALA A 75 2.341 -15.919 -4.208 1.00 0.00 C ATOM 0 H ALA A 75 4.211 -15.804 -2.523 1.00 0.00 H new ATOM 0 HA ALA A 75 3.673 -14.496 -5.186 1.00 0.00 H new ATOM 0 HB1 ALA A 75 1.478 -15.628 -4.807 1.00 0.00 H new ATOM 0 HB2 ALA A 75 2.804 -16.804 -4.645 1.00 0.00 H new ATOM 0 HB3 ALA A 75 2.019 -16.143 -3.191 1.00 0.00 H new ATOM 985 N LEU A 76 2.369 -12.564 -4.340 1.00 0.00 N ATOM 986 CA LEU A 76 1.761 -11.328 -3.773 1.00 0.00 C ATOM 987 C LEU A 76 1.062 -10.519 -4.864 1.00 0.00 C ATOM 988 O LEU A 76 1.422 -10.572 -6.024 1.00 0.00 O ATOM 989 CB LEU A 76 2.931 -10.535 -3.196 1.00 0.00 C ATOM 990 CG LEU A 76 2.430 -9.191 -2.668 1.00 0.00 C ATOM 991 CD1 LEU A 76 1.664 -9.409 -1.361 1.00 0.00 C ATOM 992 CD2 LEU A 76 3.625 -8.269 -2.412 1.00 0.00 C ATOM 0 H LEU A 76 2.462 -12.577 -5.356 1.00 0.00 H new ATOM 0 HA LEU A 76 1.008 -11.558 -3.020 1.00 0.00 H new ATOM 0 HB2 LEU A 76 3.404 -11.099 -2.392 1.00 0.00 H new ATOM 0 HB3 LEU A 76 3.689 -10.376 -3.963 1.00 0.00 H new ATOM 0 HG LEU A 76 1.768 -8.734 -3.404 1.00 0.00 H new ATOM 0 HD11 LEU A 76 1.307 -8.451 -0.984 1.00 0.00 H new ATOM 0 HD12 LEU A 76 0.814 -10.067 -1.543 1.00 0.00 H new ATOM 0 HD13 LEU A 76 2.325 -9.865 -0.624 1.00 0.00 H new ATOM 0 HD21 LEU A 76 3.270 -7.310 -2.035 1.00 0.00 H new ATOM 0 HD22 LEU A 76 4.286 -8.726 -1.676 1.00 0.00 H new ATOM 0 HD23 LEU A 76 4.171 -8.114 -3.343 1.00 0.00 H new ATOM 1004 N PHE A 77 0.070 -9.766 -4.490 1.00 0.00 N ATOM 1005 CA PHE A 77 -0.667 -8.936 -5.482 1.00 0.00 C ATOM 1006 C PHE A 77 -1.383 -7.790 -4.764 1.00 0.00 C ATOM 1007 O PHE A 77 -2.208 -8.011 -3.901 1.00 0.00 O ATOM 1008 CB PHE A 77 -1.683 -9.881 -6.116 1.00 0.00 C ATOM 1009 CG PHE A 77 -0.963 -10.946 -6.906 1.00 0.00 C ATOM 1010 CD1 PHE A 77 -0.546 -10.686 -8.217 1.00 0.00 C ATOM 1011 CD2 PHE A 77 -0.710 -12.197 -6.327 1.00 0.00 C ATOM 1012 CE1 PHE A 77 0.123 -11.673 -8.949 1.00 0.00 C ATOM 1013 CE2 PHE A 77 -0.042 -13.184 -7.060 1.00 0.00 C ATOM 1014 CZ PHE A 77 0.374 -12.923 -8.370 1.00 0.00 C ATOM 0 H PHE A 77 -0.266 -9.688 -3.530 1.00 0.00 H new ATOM 0 HA PHE A 77 -0.006 -8.493 -6.227 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -2.298 -10.341 -5.343 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -2.356 -9.323 -6.768 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -0.741 -9.722 -8.664 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -1.030 -12.399 -5.316 1.00 0.00 H new ATOM 0 HE1 PHE A 77 0.446 -11.471 -9.960 1.00 0.00 H new ATOM 0 HE2 PHE A 77 0.153 -14.148 -6.614 1.00 0.00 H new ATOM 0 HZ PHE A 77 0.889 -13.686 -8.935 1.00 0.00 H new ATOM 1024 N PHE A 78 -1.065 -6.570 -5.094 1.00 0.00 N ATOM 1025 CA PHE A 78 -1.721 -5.425 -4.408 1.00 0.00 C ATOM 1026 C PHE A 78 -3.051 -5.056 -5.065 1.00 0.00 C ATOM 1027 O PHE A 78 -3.146 -4.897 -6.265 1.00 0.00 O ATOM 1028 CB PHE A 78 -0.737 -4.275 -4.558 1.00 0.00 C ATOM 1029 CG PHE A 78 0.558 -4.606 -3.860 1.00 0.00 C ATOM 1030 CD1 PHE A 78 0.641 -5.687 -2.973 1.00 0.00 C ATOM 1031 CD2 PHE A 78 1.675 -3.811 -4.093 1.00 0.00 C ATOM 1032 CE1 PHE A 78 1.848 -5.965 -2.319 1.00 0.00 C ATOM 1033 CE2 PHE A 78 2.882 -4.088 -3.446 1.00 0.00 C ATOM 1034 CZ PHE A 78 2.971 -5.163 -2.556 1.00 0.00 C ATOM 0 H PHE A 78 -0.381 -6.317 -5.807 1.00 0.00 H new ATOM 0 HA PHE A 78 -1.950 -5.664 -3.369 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -0.550 -4.081 -5.614 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -1.163 -3.364 -4.137 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -0.226 -6.306 -2.793 1.00 0.00 H new ATOM 0 HD2 PHE A 78 1.609 -2.977 -4.776 1.00 0.00 H new ATOM 0 HE1 PHE A 78 1.912 -6.797 -1.633 1.00 0.00 H new ATOM 0 HE2 PHE A 78 3.748 -3.471 -3.634 1.00 0.00 H new ATOM 0 HZ PHE A 78 3.903 -5.374 -2.053 1.00 0.00 H new ATOM 1044 N PHE A 79 -4.069 -4.885 -4.270 1.00 0.00 N ATOM 1045 CA PHE A 79 -5.393 -4.486 -4.813 1.00 0.00 C ATOM 1046 C PHE A 79 -5.804 -3.156 -4.185 1.00 0.00 C ATOM 1047 O PHE A 79 -5.926 -3.036 -2.981 1.00 0.00 O ATOM 1048 CB PHE A 79 -6.358 -5.583 -4.388 1.00 0.00 C ATOM 1049 CG PHE A 79 -5.845 -6.927 -4.850 1.00 0.00 C ATOM 1050 CD1 PHE A 79 -6.208 -7.416 -6.111 1.00 0.00 C ATOM 1051 CD2 PHE A 79 -5.011 -7.687 -4.019 1.00 0.00 C ATOM 1052 CE1 PHE A 79 -5.737 -8.661 -6.542 1.00 0.00 C ATOM 1053 CE2 PHE A 79 -4.542 -8.933 -4.450 1.00 0.00 C ATOM 1054 CZ PHE A 79 -4.904 -9.421 -5.711 1.00 0.00 C ATOM 0 H PHE A 79 -4.038 -5.006 -3.258 1.00 0.00 H new ATOM 0 HA PHE A 79 -5.381 -4.364 -5.896 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -6.471 -5.580 -3.304 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -7.345 -5.395 -4.812 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -6.852 -6.832 -6.751 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -4.730 -7.311 -3.046 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -6.016 -9.036 -7.516 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -3.900 -9.519 -3.809 1.00 0.00 H new ATOM 0 HZ PHE A 79 -4.541 -10.383 -6.043 1.00 0.00 H new ATOM 1064 N VAL A 80 -6.009 -2.160 -4.987 1.00 0.00 N ATOM 1065 CA VAL A 80 -6.406 -0.830 -4.438 1.00 0.00 C ATOM 1066 C VAL A 80 -7.755 -0.408 -5.024 1.00 0.00 C ATOM 1067 O VAL A 80 -7.935 -0.369 -6.225 1.00 0.00 O ATOM 1068 CB VAL A 80 -5.300 0.141 -4.867 1.00 0.00 C ATOM 1069 CG1 VAL A 80 -5.284 1.337 -3.915 1.00 0.00 C ATOM 1070 CG2 VAL A 80 -3.937 -0.558 -4.811 1.00 0.00 C ATOM 0 H VAL A 80 -5.921 -2.202 -6.002 1.00 0.00 H new ATOM 0 HA VAL A 80 -6.517 -0.849 -3.354 1.00 0.00 H new ATOM 0 HB VAL A 80 -5.493 0.474 -5.887 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -4.499 2.031 -4.216 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -6.249 1.843 -3.950 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -5.093 0.991 -2.899 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -3.158 0.140 -5.117 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -3.743 -0.895 -3.793 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -3.940 -1.416 -5.483 1.00 0.00 H new ATOM 1080 N ASN A 81 -8.704 -0.090 -4.188 1.00 0.00 N ATOM 1081 CA ASN A 81 -10.042 0.326 -4.703 1.00 0.00 C ATOM 1082 C ASN A 81 -10.520 -0.650 -5.785 1.00 0.00 C ATOM 1083 O ASN A 81 -10.984 -0.250 -6.834 1.00 0.00 O ATOM 1084 CB ASN A 81 -9.824 1.718 -5.297 1.00 0.00 C ATOM 1085 CG ASN A 81 -10.682 2.734 -4.540 1.00 0.00 C ATOM 1086 OD1 ASN A 81 -11.355 3.547 -5.141 1.00 0.00 O ATOM 1087 ND2 ASN A 81 -10.687 2.721 -3.234 1.00 0.00 N ATOM 0 H ASN A 81 -8.613 -0.100 -3.172 1.00 0.00 H new ATOM 0 HA ASN A 81 -10.801 0.331 -3.921 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -8.771 1.993 -5.230 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -10.087 1.719 -6.355 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -11.256 3.393 -2.719 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -10.122 2.038 -2.729 1.00 0.00 H new ATOM 1094 N ASN A 82 -10.410 -1.928 -5.535 1.00 0.00 N ATOM 1095 CA ASN A 82 -10.859 -2.935 -6.543 1.00 0.00 C ATOM 1096 C ASN A 82 -10.114 -2.738 -7.868 1.00 0.00 C ATOM 1097 O ASN A 82 -10.673 -2.904 -8.935 1.00 0.00 O ATOM 1098 CB ASN A 82 -12.356 -2.678 -6.726 1.00 0.00 C ATOM 1099 CG ASN A 82 -13.082 -2.894 -5.396 1.00 0.00 C ATOM 1100 OD1 ASN A 82 -13.888 -2.081 -4.991 1.00 0.00 O ATOM 1101 ND2 ASN A 82 -12.827 -3.964 -4.693 1.00 0.00 N ATOM 0 H ASN A 82 -10.028 -2.320 -4.674 1.00 0.00 H new ATOM 0 HA ASN A 82 -10.657 -3.956 -6.218 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -12.520 -1.660 -7.080 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -12.760 -3.348 -7.485 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -13.305 -4.116 -3.805 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -12.150 -4.648 -5.032 1.00 0.00 H new ATOM 1108 N VAL A 83 -8.857 -2.389 -7.811 1.00 0.00 N ATOM 1109 CA VAL A 83 -8.080 -2.185 -9.071 1.00 0.00 C ATOM 1110 C VAL A 83 -6.700 -2.840 -8.952 1.00 0.00 C ATOM 1111 O VAL A 83 -6.272 -3.212 -7.877 1.00 0.00 O ATOM 1112 CB VAL A 83 -7.942 -0.667 -9.227 1.00 0.00 C ATOM 1113 CG1 VAL A 83 -7.642 -0.326 -10.688 1.00 0.00 C ATOM 1114 CG2 VAL A 83 -9.247 0.020 -8.809 1.00 0.00 C ATOM 0 H VAL A 83 -8.334 -2.236 -6.949 1.00 0.00 H new ATOM 0 HA VAL A 83 -8.575 -2.634 -9.932 1.00 0.00 H new ATOM 0 HB VAL A 83 -7.127 -0.318 -8.593 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -7.544 0.754 -10.797 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -6.712 -0.807 -10.990 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -8.456 -0.682 -11.319 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -9.143 1.099 -8.922 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -10.063 -0.334 -9.440 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -9.465 -0.216 -7.767 1.00 0.00 H new ATOM 1124 N ILE A 84 -5.997 -2.967 -10.049 1.00 0.00 N ATOM 1125 CA ILE A 84 -4.642 -3.595 -10.019 1.00 0.00 C ATOM 1126 C ILE A 84 -3.816 -3.088 -11.204 1.00 0.00 C ATOM 1127 O ILE A 84 -3.539 -3.823 -12.130 1.00 0.00 O ATOM 1128 CB ILE A 84 -4.867 -5.104 -10.193 1.00 0.00 C ATOM 1129 CG1 ILE A 84 -6.140 -5.570 -9.471 1.00 0.00 C ATOM 1130 CG2 ILE A 84 -3.665 -5.859 -9.625 1.00 0.00 C ATOM 1131 CD1 ILE A 84 -7.372 -5.220 -10.310 1.00 0.00 C ATOM 0 H ILE A 84 -6.307 -2.660 -10.971 1.00 0.00 H new ATOM 0 HA ILE A 84 -4.117 -3.359 -9.093 1.00 0.00 H new ATOM 0 HB ILE A 84 -4.983 -5.311 -11.257 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -6.099 -6.646 -9.301 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -6.208 -5.095 -8.493 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -3.819 -6.931 -9.746 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -2.762 -5.560 -10.158 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -3.556 -5.625 -8.566 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -8.271 -5.553 -9.792 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -7.417 -4.141 -10.458 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -7.306 -5.716 -11.278 1.00 0.00 H new ATOM 1143 N PRO A 85 -3.452 -1.837 -11.131 1.00 0.00 N ATOM 1144 CA PRO A 85 -2.651 -1.211 -12.212 1.00 0.00 C ATOM 1145 C PRO A 85 -1.200 -1.702 -12.166 1.00 0.00 C ATOM 1146 O PRO A 85 -0.757 -2.251 -11.177 1.00 0.00 O ATOM 1147 CB PRO A 85 -2.729 0.279 -11.895 1.00 0.00 C ATOM 1148 CG PRO A 85 -2.995 0.351 -10.425 1.00 0.00 C ATOM 1149 CD PRO A 85 -3.753 -0.896 -10.049 1.00 0.00 C ATOM 0 HA PRO A 85 -3.018 -1.453 -13.209 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -1.799 0.786 -12.153 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -3.524 0.762 -12.464 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -2.061 0.416 -9.867 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -3.574 1.242 -10.182 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -3.430 -1.283 -9.083 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -4.823 -0.704 -9.974 1.00 0.00 H new ATOM 1157 N PRO A 86 -0.512 -1.480 -13.252 1.00 0.00 N ATOM 1158 CA PRO A 86 0.910 -1.894 -13.359 1.00 0.00 C ATOM 1159 C PRO A 86 1.802 -0.979 -12.519 1.00 0.00 C ATOM 1160 O PRO A 86 1.333 -0.075 -11.855 1.00 0.00 O ATOM 1161 CB PRO A 86 1.215 -1.735 -14.847 1.00 0.00 C ATOM 1162 CG PRO A 86 0.237 -0.715 -15.339 1.00 0.00 C ATOM 1163 CD PRO A 86 -0.992 -0.825 -14.473 1.00 0.00 C ATOM 0 HA PRO A 86 1.090 -2.906 -12.995 1.00 0.00 H new ATOM 0 HB2 PRO A 86 2.242 -1.405 -15.006 1.00 0.00 H new ATOM 0 HB3 PRO A 86 1.098 -2.681 -15.377 1.00 0.00 H new ATOM 0 HG2 PRO A 86 0.662 0.287 -15.279 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -0.012 -0.893 -16.385 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -1.417 0.155 -14.259 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -1.771 -1.411 -14.960 1.00 0.00 H new ATOM 1171 N THR A 87 3.085 -1.209 -12.540 1.00 0.00 N ATOM 1172 CA THR A 87 4.011 -0.352 -11.740 1.00 0.00 C ATOM 1173 C THR A 87 4.422 0.887 -12.535 1.00 0.00 C ATOM 1174 O THR A 87 5.416 1.523 -12.251 1.00 0.00 O ATOM 1175 CB THR A 87 5.234 -1.224 -11.457 1.00 0.00 C ATOM 1176 OG1 THR A 87 5.412 -2.157 -12.514 1.00 0.00 O ATOM 1177 CG2 THR A 87 5.042 -1.972 -10.137 1.00 0.00 C ATOM 0 H THR A 87 3.534 -1.952 -13.075 1.00 0.00 H new ATOM 0 HA THR A 87 3.538 -0.001 -10.823 1.00 0.00 H new ATOM 0 HB THR A 87 6.117 -0.589 -11.384 1.00 0.00 H new ATOM 0 HG1 THR A 87 4.972 -3.002 -12.282 1.00 0.00 H new ATOM 0 HG21 THR A 87 5.916 -2.592 -9.940 1.00 0.00 H new ATOM 0 HG22 THR A 87 4.916 -1.254 -9.327 1.00 0.00 H new ATOM 0 HG23 THR A 87 4.156 -2.604 -10.202 1.00 0.00 H new ATOM 1185 N SER A 88 3.656 1.233 -13.523 1.00 0.00 N ATOM 1186 CA SER A 88 3.983 2.434 -14.346 1.00 0.00 C ATOM 1187 C SER A 88 3.287 3.664 -13.760 1.00 0.00 C ATOM 1188 O SER A 88 2.788 4.510 -14.474 1.00 0.00 O ATOM 1189 CB SER A 88 3.442 2.121 -15.740 1.00 0.00 C ATOM 1190 OG SER A 88 4.278 1.154 -16.361 1.00 0.00 O ATOM 0 H SER A 88 2.810 0.736 -13.802 1.00 0.00 H new ATOM 0 HA SER A 88 5.052 2.648 -14.369 1.00 0.00 H new ATOM 0 HB2 SER A 88 2.421 1.745 -15.671 1.00 0.00 H new ATOM 0 HB3 SER A 88 3.407 3.029 -16.342 1.00 0.00 H new ATOM 0 HG SER A 88 3.933 0.949 -17.255 1.00 0.00 H new ATOM 1196 N ALA A 89 3.248 3.759 -12.462 1.00 0.00 N ATOM 1197 CA ALA A 89 2.581 4.925 -11.812 1.00 0.00 C ATOM 1198 C ALA A 89 3.313 5.304 -10.530 1.00 0.00 C ATOM 1199 O ALA A 89 4.376 4.798 -10.231 1.00 0.00 O ATOM 1200 CB ALA A 89 1.166 4.442 -11.495 1.00 0.00 C ATOM 0 H ALA A 89 3.650 3.078 -11.818 1.00 0.00 H new ATOM 0 HA ALA A 89 2.580 5.809 -12.450 1.00 0.00 H new ATOM 0 HB1 ALA A 89 0.607 5.244 -11.013 1.00 0.00 H new ATOM 0 HB2 ALA A 89 0.664 4.154 -12.419 1.00 0.00 H new ATOM 0 HB3 ALA A 89 1.216 3.582 -10.827 1.00 0.00 H new ATOM 1206 N THR A 90 2.750 6.198 -9.778 1.00 0.00 N ATOM 1207 CA THR A 90 3.403 6.628 -8.509 1.00 0.00 C ATOM 1208 C THR A 90 2.353 6.796 -7.407 1.00 0.00 C ATOM 1209 O THR A 90 1.247 7.237 -7.647 1.00 0.00 O ATOM 1210 CB THR A 90 4.059 7.971 -8.834 1.00 0.00 C ATOM 1211 OG1 THR A 90 3.055 8.918 -9.170 1.00 0.00 O ATOM 1212 CG2 THR A 90 5.018 7.799 -10.012 1.00 0.00 C ATOM 0 H THR A 90 1.862 6.655 -9.984 1.00 0.00 H new ATOM 0 HA THR A 90 4.128 5.898 -8.150 1.00 0.00 H new ATOM 0 HB THR A 90 4.615 8.325 -7.966 1.00 0.00 H new ATOM 0 HG1 THR A 90 3.474 9.779 -9.377 1.00 0.00 H new ATOM 0 HG21 THR A 90 5.485 8.756 -10.243 1.00 0.00 H new ATOM 0 HG22 THR A 90 5.788 7.073 -9.751 1.00 0.00 H new ATOM 0 HG23 THR A 90 4.465 7.445 -10.882 1.00 0.00 H new ATOM 1220 N MET A 91 2.691 6.443 -6.198 1.00 0.00 N ATOM 1221 CA MET A 91 1.708 6.577 -5.084 1.00 0.00 C ATOM 1222 C MET A 91 1.034 7.951 -5.149 1.00 0.00 C ATOM 1223 O MET A 91 -0.170 8.074 -5.029 1.00 0.00 O ATOM 1224 CB MET A 91 2.528 6.447 -3.793 1.00 0.00 C ATOM 1225 CG MET A 91 3.024 5.004 -3.611 1.00 0.00 C ATOM 1226 SD MET A 91 1.635 3.850 -3.731 1.00 0.00 S ATOM 1227 CE MET A 91 1.248 3.774 -1.966 1.00 0.00 C ATOM 0 H MET A 91 3.602 6.069 -5.933 1.00 0.00 H new ATOM 0 HA MET A 91 0.922 5.823 -5.138 1.00 0.00 H new ATOM 0 HB2 MET A 91 3.378 7.128 -3.826 1.00 0.00 H new ATOM 0 HB3 MET A 91 1.919 6.739 -2.938 1.00 0.00 H new ATOM 0 HG2 MET A 91 3.769 4.769 -4.371 1.00 0.00 H new ATOM 0 HG3 MET A 91 3.512 4.898 -2.642 1.00 0.00 H new ATOM 0 HE1 MET A 91 0.913 2.769 -1.710 1.00 0.00 H new ATOM 0 HE2 MET A 91 2.139 4.018 -1.387 1.00 0.00 H new ATOM 0 HE3 MET A 91 0.458 4.489 -1.736 1.00 0.00 H new ATOM 1237 N GLY A 92 1.808 8.984 -5.330 1.00 0.00 N ATOM 1238 CA GLY A 92 1.225 10.355 -5.394 1.00 0.00 C ATOM 1239 C GLY A 92 0.025 10.386 -6.338 1.00 0.00 C ATOM 1240 O GLY A 92 -1.022 10.906 -6.007 1.00 0.00 O ATOM 0 H GLY A 92 2.821 8.939 -5.437 1.00 0.00 H new ATOM 0 HA2 GLY A 92 0.919 10.672 -4.397 1.00 0.00 H new ATOM 0 HA3 GLY A 92 1.981 11.062 -5.735 1.00 0.00 H new ATOM 1244 N GLN A 93 0.167 9.851 -7.515 1.00 0.00 N ATOM 1245 CA GLN A 93 -0.971 9.873 -8.478 1.00 0.00 C ATOM 1246 C GLN A 93 -2.139 9.044 -7.934 1.00 0.00 C ATOM 1247 O GLN A 93 -3.291 9.339 -8.184 1.00 0.00 O ATOM 1248 CB GLN A 93 -0.407 9.286 -9.787 1.00 0.00 C ATOM 1249 CG GLN A 93 -0.729 7.790 -9.903 1.00 0.00 C ATOM 1250 CD GLN A 93 -0.262 7.272 -11.265 1.00 0.00 C ATOM 1251 OE1 GLN A 93 -0.762 6.278 -11.753 1.00 0.00 O ATOM 1252 NE2 GLN A 93 0.683 7.906 -11.903 1.00 0.00 N ATOM 0 H GLN A 93 1.017 9.400 -7.854 1.00 0.00 H new ATOM 0 HA GLN A 93 -1.364 10.877 -8.641 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -0.827 9.819 -10.640 1.00 0.00 H new ATOM 0 HB3 GLN A 93 0.673 9.433 -9.820 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -0.236 7.238 -9.103 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -1.801 7.628 -9.788 1.00 0.00 H new ATOM 0 HE21 GLN A 93 1.103 8.741 -11.494 1.00 0.00 H new ATOM 0 HE22 GLN A 93 1.002 7.567 -12.811 1.00 0.00 H new ATOM 1261 N LEU A 94 -1.854 8.011 -7.191 1.00 0.00 N ATOM 1262 CA LEU A 94 -2.954 7.177 -6.635 1.00 0.00 C ATOM 1263 C LEU A 94 -3.732 7.964 -5.582 1.00 0.00 C ATOM 1264 O LEU A 94 -4.863 7.660 -5.275 1.00 0.00 O ATOM 1265 CB LEU A 94 -2.258 5.959 -6.023 1.00 0.00 C ATOM 1266 CG LEU A 94 -2.135 6.098 -4.501 1.00 0.00 C ATOM 1267 CD1 LEU A 94 -3.437 5.640 -3.846 1.00 0.00 C ATOM 1268 CD2 LEU A 94 -0.984 5.226 -4.004 1.00 0.00 C ATOM 0 H LEU A 94 -0.911 7.710 -6.946 1.00 0.00 H new ATOM 0 HA LEU A 94 -3.679 6.881 -7.393 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -2.820 5.056 -6.264 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -1.267 5.845 -6.462 1.00 0.00 H new ATOM 0 HG LEU A 94 -1.941 7.139 -4.243 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -3.354 5.737 -2.764 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -4.261 6.258 -4.203 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -3.627 4.598 -4.103 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -0.895 5.323 -2.922 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -1.180 4.185 -4.260 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -0.055 5.547 -4.475 1.00 0.00 H new ATOM 1280 N TYR A 95 -3.132 8.962 -5.012 1.00 0.00 N ATOM 1281 CA TYR A 95 -3.851 9.738 -3.972 1.00 0.00 C ATOM 1282 C TYR A 95 -5.243 10.128 -4.482 1.00 0.00 C ATOM 1283 O TYR A 95 -6.242 9.824 -3.866 1.00 0.00 O ATOM 1284 CB TYR A 95 -2.984 10.975 -3.726 1.00 0.00 C ATOM 1285 CG TYR A 95 -3.014 11.314 -2.258 1.00 0.00 C ATOM 1286 CD1 TYR A 95 -2.730 10.326 -1.311 1.00 0.00 C ATOM 1287 CD2 TYR A 95 -3.330 12.613 -1.843 1.00 0.00 C ATOM 1288 CE1 TYR A 95 -2.761 10.634 0.054 1.00 0.00 C ATOM 1289 CE2 TYR A 95 -3.361 12.923 -0.478 1.00 0.00 C ATOM 1290 CZ TYR A 95 -3.077 11.933 0.471 1.00 0.00 C ATOM 1291 OH TYR A 95 -3.110 12.238 1.816 1.00 0.00 O ATOM 0 H TYR A 95 -2.183 9.274 -5.217 1.00 0.00 H new ATOM 0 HA TYR A 95 -4.002 9.170 -3.054 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -1.960 10.786 -4.047 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -3.353 11.816 -4.314 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -2.486 9.324 -1.633 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -3.550 13.376 -2.575 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -2.541 9.870 0.785 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -3.604 13.925 -0.157 1.00 0.00 H new ATOM 0 HH TYR A 95 -3.345 13.182 1.932 1.00 0.00 H new ATOM 1301 N GLN A 96 -5.320 10.786 -5.606 1.00 0.00 N ATOM 1302 CA GLN A 96 -6.655 11.181 -6.149 1.00 0.00 C ATOM 1303 C GLN A 96 -7.438 9.958 -6.653 1.00 0.00 C ATOM 1304 O GLN A 96 -8.628 10.028 -6.882 1.00 0.00 O ATOM 1305 CB GLN A 96 -6.343 12.126 -7.310 1.00 0.00 C ATOM 1306 CG GLN A 96 -7.533 13.059 -7.542 1.00 0.00 C ATOM 1307 CD GLN A 96 -8.305 12.604 -8.783 1.00 0.00 C ATOM 1308 OE1 GLN A 96 -7.931 11.644 -9.427 1.00 0.00 O ATOM 1309 NE2 GLN A 96 -9.374 13.257 -9.147 1.00 0.00 N ATOM 0 H GLN A 96 -4.520 11.068 -6.172 1.00 0.00 H new ATOM 0 HA GLN A 96 -7.276 11.648 -5.385 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -5.448 12.708 -7.089 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -6.135 11.553 -8.214 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -8.188 13.053 -6.671 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -7.185 14.084 -7.673 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -9.688 14.063 -8.606 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -9.896 12.962 -9.972 1.00 0.00 H new ATOM 1318 N GLU A 97 -6.773 8.854 -6.868 1.00 0.00 N ATOM 1319 CA GLU A 97 -7.477 7.647 -7.405 1.00 0.00 C ATOM 1320 C GLU A 97 -8.094 6.772 -6.300 1.00 0.00 C ATOM 1321 O GLU A 97 -9.295 6.591 -6.247 1.00 0.00 O ATOM 1322 CB GLU A 97 -6.393 6.869 -8.149 1.00 0.00 C ATOM 1323 CG GLU A 97 -6.324 7.350 -9.600 1.00 0.00 C ATOM 1324 CD GLU A 97 -5.350 8.524 -9.704 1.00 0.00 C ATOM 1325 OE1 GLU A 97 -5.612 9.542 -9.086 1.00 0.00 O ATOM 1326 OE2 GLU A 97 -4.357 8.385 -10.401 1.00 0.00 O ATOM 0 H GLU A 97 -5.775 8.733 -6.696 1.00 0.00 H new ATOM 0 HA GLU A 97 -8.314 7.939 -8.039 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -5.429 7.011 -7.661 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -6.611 5.801 -8.119 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -6.000 6.536 -10.249 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -7.314 7.654 -9.941 1.00 0.00 H new ATOM 1333 N HIS A 98 -7.290 6.186 -5.451 1.00 0.00 N ATOM 1334 CA HIS A 98 -7.840 5.284 -4.405 1.00 0.00 C ATOM 1335 C HIS A 98 -7.993 5.993 -3.054 1.00 0.00 C ATOM 1336 O HIS A 98 -7.785 5.407 -2.006 1.00 0.00 O ATOM 1337 CB HIS A 98 -6.796 4.182 -4.312 1.00 0.00 C ATOM 1338 CG HIS A 98 -6.657 3.517 -5.650 1.00 0.00 C ATOM 1339 ND1 HIS A 98 -7.714 3.409 -6.539 1.00 0.00 N ATOM 1340 CD2 HIS A 98 -5.587 2.923 -6.263 1.00 0.00 C ATOM 1341 CE1 HIS A 98 -7.259 2.768 -7.632 1.00 0.00 C ATOM 1342 NE2 HIS A 98 -5.967 2.449 -7.515 1.00 0.00 N ATOM 0 H HIS A 98 -6.276 6.296 -5.440 1.00 0.00 H new ATOM 0 HA HIS A 98 -8.838 4.924 -4.654 1.00 0.00 H new ATOM 0 HB2 HIS A 98 -5.838 4.598 -3.998 1.00 0.00 H new ATOM 0 HB3 HIS A 98 -7.088 3.451 -3.558 1.00 0.00 H new ATOM 0 HD2 HIS A 98 -4.598 2.835 -5.839 1.00 0.00 H new ATOM 0 HE1 HIS A 98 -7.864 2.540 -8.497 1.00 0.00 H new ATOM 0 HE2 HIS A 98 -5.384 1.963 -8.197 1.00 0.00 H new ATOM 1350 N HIS A 99 -8.375 7.240 -3.071 1.00 0.00 N ATOM 1351 CA HIS A 99 -8.569 7.975 -1.784 1.00 0.00 C ATOM 1352 C HIS A 99 -9.834 7.460 -1.079 1.00 0.00 C ATOM 1353 O HIS A 99 -10.613 6.722 -1.647 1.00 0.00 O ATOM 1354 CB HIS A 99 -8.719 9.456 -2.167 1.00 0.00 C ATOM 1355 CG HIS A 99 -9.687 9.624 -3.313 1.00 0.00 C ATOM 1356 ND1 HIS A 99 -10.486 8.592 -3.785 1.00 0.00 N ATOM 1357 CD2 HIS A 99 -9.998 10.716 -4.087 1.00 0.00 C ATOM 1358 CE1 HIS A 99 -11.230 9.081 -4.792 1.00 0.00 C ATOM 1359 NE2 HIS A 99 -10.972 10.371 -5.019 1.00 0.00 N ATOM 0 H HIS A 99 -8.561 7.782 -3.915 1.00 0.00 H new ATOM 0 HA HIS A 99 -7.735 7.831 -1.097 1.00 0.00 H new ATOM 0 HB2 HIS A 99 -9.068 10.024 -1.305 1.00 0.00 H new ATOM 0 HB3 HIS A 99 -7.747 9.864 -2.445 1.00 0.00 H new ATOM 0 HD1 HIS A 99 -10.505 7.635 -3.432 1.00 0.00 H new ATOM 0 HD2 HIS A 99 -9.553 11.695 -3.987 1.00 0.00 H new ATOM 0 HE1 HIS A 99 -11.950 8.500 -5.350 1.00 0.00 H new ATOM 1429 N PHE A 104 -6.211 10.485 2.831 1.00 0.00 N ATOM 1430 CA PHE A 104 -5.828 9.101 3.228 1.00 0.00 C ATOM 1431 C PHE A 104 -6.250 8.105 2.137 1.00 0.00 C ATOM 1432 O PHE A 104 -7.380 8.116 1.688 1.00 0.00 O ATOM 1433 CB PHE A 104 -6.609 8.835 4.517 1.00 0.00 C ATOM 1434 CG PHE A 104 -5.654 8.718 5.679 1.00 0.00 C ATOM 1435 CD1 PHE A 104 -4.541 7.875 5.589 1.00 0.00 C ATOM 1436 CD2 PHE A 104 -5.885 9.450 6.850 1.00 0.00 C ATOM 1437 CE1 PHE A 104 -3.659 7.764 6.671 1.00 0.00 C ATOM 1438 CE2 PHE A 104 -5.003 9.339 7.931 1.00 0.00 C ATOM 1439 CZ PHE A 104 -3.889 8.496 7.841 1.00 0.00 C ATOM 0 HA PHE A 104 -4.752 8.991 3.367 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -7.318 9.643 4.697 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -7.190 7.918 4.418 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -4.362 7.310 4.686 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -6.744 10.101 6.919 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -2.800 7.113 6.602 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -5.182 9.903 8.834 1.00 0.00 H new ATOM 0 HZ PHE A 104 -3.207 8.411 8.674 1.00 0.00 H new ATOM 1449 N LEU A 105 -5.365 7.242 1.707 1.00 0.00 N ATOM 1450 CA LEU A 105 -5.749 6.256 0.650 1.00 0.00 C ATOM 1451 C LEU A 105 -5.759 4.839 1.243 1.00 0.00 C ATOM 1452 O LEU A 105 -5.270 4.618 2.331 1.00 0.00 O ATOM 1453 CB LEU A 105 -4.684 6.425 -0.454 1.00 0.00 C ATOM 1454 CG LEU A 105 -3.627 5.316 -0.381 1.00 0.00 C ATOM 1455 CD1 LEU A 105 -4.054 4.148 -1.271 1.00 0.00 C ATOM 1456 CD2 LEU A 105 -2.283 5.864 -0.867 1.00 0.00 C ATOM 0 H LEU A 105 -4.402 7.177 2.038 1.00 0.00 H new ATOM 0 HA LEU A 105 -6.749 6.419 0.249 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -5.165 6.409 -1.432 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -4.202 7.397 -0.352 1.00 0.00 H new ATOM 0 HG LEU A 105 -3.529 4.971 0.648 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -3.304 3.359 -1.220 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -5.013 3.760 -0.927 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -4.150 4.492 -2.301 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -1.530 5.078 -0.816 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -2.381 6.207 -1.897 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -1.980 6.698 -0.234 1.00 0.00 H new ATOM 1468 N TYR A 106 -6.321 3.882 0.551 1.00 0.00 N ATOM 1469 CA TYR A 106 -6.356 2.495 1.113 1.00 0.00 C ATOM 1470 C TYR A 106 -5.723 1.480 0.148 1.00 0.00 C ATOM 1471 O TYR A 106 -6.040 1.445 -1.024 1.00 0.00 O ATOM 1472 CB TYR A 106 -7.844 2.190 1.298 1.00 0.00 C ATOM 1473 CG TYR A 106 -8.196 2.250 2.765 1.00 0.00 C ATOM 1474 CD1 TYR A 106 -7.861 3.380 3.521 1.00 0.00 C ATOM 1475 CD2 TYR A 106 -8.860 1.175 3.369 1.00 0.00 C ATOM 1476 CE1 TYR A 106 -8.191 3.435 4.882 1.00 0.00 C ATOM 1477 CE2 TYR A 106 -9.189 1.229 4.729 1.00 0.00 C ATOM 1478 CZ TYR A 106 -8.854 2.359 5.485 1.00 0.00 C ATOM 1479 OH TYR A 106 -9.177 2.411 6.826 1.00 0.00 O ATOM 0 H TYR A 106 -6.752 3.996 -0.366 1.00 0.00 H new ATOM 0 HA TYR A 106 -5.790 2.425 2.042 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -8.445 2.908 0.740 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -8.075 1.203 0.898 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -7.349 4.209 3.055 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -9.118 0.304 2.785 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -7.934 4.307 5.465 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -9.701 0.400 5.195 1.00 0.00 H new ATOM 0 HH TYR A 106 -9.635 1.584 7.085 1.00 0.00 H new ATOM 1489 N ILE A 107 -4.842 0.641 0.639 1.00 0.00 N ATOM 1490 CA ILE A 107 -4.205 -0.383 -0.245 1.00 0.00 C ATOM 1491 C ILE A 107 -4.107 -1.724 0.488 1.00 0.00 C ATOM 1492 O ILE A 107 -3.860 -1.771 1.676 1.00 0.00 O ATOM 1493 CB ILE A 107 -2.806 0.147 -0.547 1.00 0.00 C ATOM 1494 CG1 ILE A 107 -2.897 1.615 -0.967 1.00 0.00 C ATOM 1495 CG2 ILE A 107 -2.187 -0.675 -1.679 1.00 0.00 C ATOM 1496 CD1 ILE A 107 -1.570 2.055 -1.587 1.00 0.00 C ATOM 0 H ILE A 107 -4.538 0.622 1.612 1.00 0.00 H new ATOM 0 HA ILE A 107 -4.783 -0.546 -1.154 1.00 0.00 H new ATOM 0 HB ILE A 107 -2.183 0.065 0.344 1.00 0.00 H new ATOM 0 HG12 ILE A 107 -3.707 1.749 -1.684 1.00 0.00 H new ATOM 0 HG13 ILE A 107 -3.130 2.237 -0.103 1.00 0.00 H new ATOM 0 HG21 ILE A 107 -1.187 -0.299 -1.897 1.00 0.00 H new ATOM 0 HG22 ILE A 107 -2.123 -1.720 -1.377 1.00 0.00 H new ATOM 0 HG23 ILE A 107 -2.808 -0.592 -2.571 1.00 0.00 H new ATOM 0 HD11 ILE A 107 -1.637 3.101 -1.886 1.00 0.00 H new ATOM 0 HD12 ILE A 107 -0.770 1.937 -0.856 1.00 0.00 H new ATOM 0 HD13 ILE A 107 -1.356 1.441 -2.462 1.00 0.00 H new ATOM 1508 N ALA A 108 -4.289 -2.814 -0.208 1.00 0.00 N ATOM 1509 CA ALA A 108 -4.195 -4.143 0.462 1.00 0.00 C ATOM 1510 C ALA A 108 -3.406 -5.118 -0.408 1.00 0.00 C ATOM 1511 O ALA A 108 -3.018 -4.800 -1.512 1.00 0.00 O ATOM 1512 CB ALA A 108 -5.640 -4.613 0.620 1.00 0.00 C ATOM 0 H ALA A 108 -4.498 -2.842 -1.206 1.00 0.00 H new ATOM 0 HA ALA A 108 -3.680 -4.085 1.421 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -5.654 -5.588 1.107 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -6.192 -3.896 1.228 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -6.107 -4.691 -0.362 1.00 0.00 H new ATOM 1518 N TYR A 109 -3.167 -6.305 0.074 1.00 0.00 N ATOM 1519 CA TYR A 109 -2.410 -7.292 -0.750 1.00 0.00 C ATOM 1520 C TYR A 109 -2.842 -8.718 -0.420 1.00 0.00 C ATOM 1521 O TYR A 109 -3.476 -8.977 0.585 1.00 0.00 O ATOM 1522 CB TYR A 109 -0.925 -7.096 -0.422 1.00 0.00 C ATOM 1523 CG TYR A 109 -0.734 -6.767 1.039 1.00 0.00 C ATOM 1524 CD1 TYR A 109 -1.069 -5.498 1.517 1.00 0.00 C ATOM 1525 CD2 TYR A 109 -0.207 -7.727 1.911 1.00 0.00 C ATOM 1526 CE1 TYR A 109 -0.879 -5.187 2.865 1.00 0.00 C ATOM 1527 CE2 TYR A 109 -0.017 -7.416 3.262 1.00 0.00 C ATOM 1528 CZ TYR A 109 -0.354 -6.145 3.739 1.00 0.00 C ATOM 1529 OH TYR A 109 -0.167 -5.836 5.071 1.00 0.00 O ATOM 0 H TYR A 109 -3.459 -6.634 0.994 1.00 0.00 H new ATOM 0 HA TYR A 109 -2.602 -7.135 -1.811 1.00 0.00 H new ATOM 0 HB2 TYR A 109 -0.371 -8.001 -0.670 1.00 0.00 H new ATOM 0 HB3 TYR A 109 -0.516 -6.294 -1.036 1.00 0.00 H new ATOM 0 HD1 TYR A 109 -1.475 -4.757 0.844 1.00 0.00 H new ATOM 0 HD2 TYR A 109 0.053 -8.708 1.541 1.00 0.00 H new ATOM 0 HE1 TYR A 109 -1.138 -4.205 3.233 1.00 0.00 H new ATOM 0 HE2 TYR A 109 0.389 -8.156 3.935 1.00 0.00 H new ATOM 0 HH TYR A 109 0.742 -6.083 5.340 1.00 0.00 H new ATOM 1539 N SER A 110 -2.502 -9.642 -1.271 1.00 0.00 N ATOM 1540 CA SER A 110 -2.883 -11.062 -1.033 1.00 0.00 C ATOM 1541 C SER A 110 -1.871 -11.993 -1.703 1.00 0.00 C ATOM 1542 O SER A 110 -0.905 -11.552 -2.291 1.00 0.00 O ATOM 1543 CB SER A 110 -4.260 -11.214 -1.675 1.00 0.00 C ATOM 1544 OG SER A 110 -4.990 -12.221 -0.988 1.00 0.00 O ATOM 0 H SER A 110 -1.973 -9.475 -2.127 1.00 0.00 H new ATOM 0 HA SER A 110 -2.899 -11.317 0.027 1.00 0.00 H new ATOM 0 HB2 SER A 110 -4.799 -10.267 -1.636 1.00 0.00 H new ATOM 0 HB3 SER A 110 -4.156 -11.478 -2.727 1.00 0.00 H new ATOM 0 HG SER A 110 -5.875 -12.320 -1.397 1.00 0.00 H new ATOM 1550 N ASP A 111 -2.085 -13.278 -1.619 1.00 0.00 N ATOM 1551 CA ASP A 111 -1.132 -14.234 -2.255 1.00 0.00 C ATOM 1552 C ASP A 111 -1.626 -14.624 -3.650 1.00 0.00 C ATOM 1553 O ASP A 111 -0.898 -15.189 -4.442 1.00 0.00 O ATOM 1554 CB ASP A 111 -1.114 -15.453 -1.333 1.00 0.00 C ATOM 1555 CG ASP A 111 -2.513 -16.068 -1.269 1.00 0.00 C ATOM 1556 OD1 ASP A 111 -3.408 -15.520 -1.892 1.00 0.00 O ATOM 1557 OD2 ASP A 111 -2.666 -17.077 -0.599 1.00 0.00 O ATOM 0 H ASP A 111 -2.876 -13.707 -1.139 1.00 0.00 H new ATOM 0 HA ASP A 111 -0.138 -13.803 -2.378 1.00 0.00 H new ATOM 0 HB2 ASP A 111 -0.399 -16.189 -1.700 1.00 0.00 H new ATOM 0 HB3 ASP A 111 -0.788 -15.162 -0.335 1.00 0.00 H new