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 Set 1.1: A 81 ASN : amide:sc= -0.658 K(o=-13,f=-18!) USER MOD Set 1.2: A 98 HIS : no HD1:sc= -12.1! C(o=-13!,f=-14!) USER MOD Single : A 35 LYS NZ :NH3+ 154:sc= -1.57 (180deg=-4.75!) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 174:sc= -1.91! (180deg=-2.02!) 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 30:sc= -6.26! USER MOD Single : A 53 SER OG : rot 180:sc= -3.56! USER MOD Single : A 56 THR OG1 : rot 180:sc= -1.49! USER MOD Single : A 59 GLN : amide:sc= -4.52! C(o=-4.5!,f=-6.3!) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 HIS : no HD1:sc= -0.263 X(o=-0.26,f=-0.38) USER MOD Single : A 82 ASN : amide:sc= -0.0393 X(o=-0.039,f=0) USER MOD Single : A 87 THR OG1 : rot 180:sc= 0.122 USER MOD Single : A 88 SER OG : rot -60:sc= 0.176 USER MOD Single : A 90 THR OG1 : rot 114:sc= 0.0156 USER MOD Single : A 91 MET CE :methyl -155:sc= -3! (180deg=-5.49!) USER MOD Single : A 93 GLN : amide:sc= -9.87! C(o=-9.9!,f=-9.6!) USER MOD Single : A 95 TYR OH : rot 180:sc= -1.69! USER MOD Single : A 96 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 99 HIS : no HD1:sc= -4.34 K(o=-4.3,f=-2.9) USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 TYR OH : rot 50:sc= -4.02! USER MOD Single : A 110 SER OG : rot -170:sc= -0.994 USER MOD ----------------------------------------------------------------- ATOM 177 N ARG A 28 3.654 14.544 1.059 1.00 0.00 N ATOM 178 CA ARG A 28 3.707 13.062 1.213 1.00 0.00 C ATOM 179 C ARG A 28 2.330 12.446 0.953 1.00 0.00 C ATOM 180 O ARG A 28 1.429 13.097 0.463 1.00 0.00 O ATOM 181 CB ARG A 28 4.127 12.832 2.664 1.00 0.00 C ATOM 182 CG ARG A 28 5.652 12.735 2.745 1.00 0.00 C ATOM 183 CD ARG A 28 6.282 13.904 1.984 1.00 0.00 C ATOM 184 NE ARG A 28 7.744 13.623 1.992 1.00 0.00 N ATOM 185 CZ ARG A 28 8.596 14.603 2.126 1.00 0.00 C ATOM 186 NH1 ARG A 28 8.631 15.561 1.240 1.00 0.00 N ATOM 187 NH2 ARG A 28 9.411 14.624 3.144 1.00 0.00 N ATOM 0 HA ARG A 28 4.397 12.601 0.506 1.00 0.00 H new ATOM 0 HB2 ARG A 28 3.770 13.649 3.291 1.00 0.00 H new ATOM 0 HB3 ARG A 28 3.673 11.917 3.044 1.00 0.00 H new ATOM 0 HG2 ARG A 28 5.973 12.751 3.787 1.00 0.00 H new ATOM 0 HG3 ARG A 28 5.989 11.789 2.322 1.00 0.00 H new ATOM 0 HD2 ARG A 28 5.897 13.966 0.966 1.00 0.00 H new ATOM 0 HD3 ARG A 28 6.060 14.855 2.467 1.00 0.00 H new ATOM 0 HE ARG A 28 8.080 12.665 1.893 1.00 0.00 H new ATOM 0 HH11 ARG A 28 7.993 15.543 0.444 1.00 0.00 H new ATOM 0 HH12 ARG A 28 9.296 16.327 1.343 1.00 0.00 H new ATOM 0 HH21 ARG A 28 9.383 13.875 3.835 1.00 0.00 H new ATOM 0 HH22 ARG A 28 10.077 15.390 3.249 1.00 0.00 H new ATOM 199 N VAL A 29 2.163 11.194 1.281 1.00 0.00 N ATOM 200 CA VAL A 29 0.846 10.531 1.059 1.00 0.00 C ATOM 201 C VAL A 29 0.582 9.508 2.168 1.00 0.00 C ATOM 202 O VAL A 29 1.237 8.481 2.236 1.00 0.00 O ATOM 203 CB VAL A 29 0.971 9.834 -0.300 1.00 0.00 C ATOM 204 CG1 VAL A 29 -0.137 8.789 -0.444 1.00 0.00 C ATOM 205 CG2 VAL A 29 0.837 10.868 -1.421 1.00 0.00 C ATOM 0 H VAL A 29 2.883 10.601 1.694 1.00 0.00 H new ATOM 0 HA VAL A 29 0.018 11.240 1.074 1.00 0.00 H new ATOM 0 HB VAL A 29 1.944 9.347 -0.366 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -0.047 8.294 -1.411 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -0.046 8.050 0.352 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -1.109 9.278 -0.376 1.00 0.00 H new ATOM 0 HG21 VAL A 29 0.926 10.371 -2.387 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -0.135 11.355 -1.352 1.00 0.00 H new ATOM 0 HG23 VAL A 29 1.625 11.615 -1.323 1.00 0.00 H new ATOM 215 N PRO A 30 -0.378 9.825 3.001 1.00 0.00 N ATOM 216 CA PRO A 30 -0.748 8.925 4.120 1.00 0.00 C ATOM 217 C PRO A 30 -1.504 7.708 3.583 1.00 0.00 C ATOM 218 O PRO A 30 -2.718 7.706 3.483 1.00 0.00 O ATOM 219 CB PRO A 30 -1.656 9.789 4.991 1.00 0.00 C ATOM 220 CG PRO A 30 -2.219 10.816 4.061 1.00 0.00 C ATOM 221 CD PRO A 30 -1.196 11.041 2.978 1.00 0.00 C ATOM 0 HA PRO A 30 0.112 8.538 4.668 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -2.447 9.194 5.448 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -1.098 10.255 5.803 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -3.162 10.474 3.635 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -2.427 11.744 4.593 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -1.669 11.185 2.007 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -0.596 11.929 3.175 1.00 0.00 H new ATOM 229 N VAL A 31 -0.792 6.683 3.210 1.00 0.00 N ATOM 230 CA VAL A 31 -1.455 5.478 2.655 1.00 0.00 C ATOM 231 C VAL A 31 -1.849 4.495 3.764 1.00 0.00 C ATOM 232 O VAL A 31 -1.146 4.317 4.738 1.00 0.00 O ATOM 233 CB VAL A 31 -0.414 4.851 1.715 1.00 0.00 C ATOM 234 CG1 VAL A 31 0.369 5.948 0.990 1.00 0.00 C ATOM 235 CG2 VAL A 31 0.564 3.967 2.500 1.00 0.00 C ATOM 0 H VAL A 31 0.225 6.630 3.267 1.00 0.00 H new ATOM 0 HA VAL A 31 -2.380 5.730 2.137 1.00 0.00 H new ATOM 0 HB VAL A 31 -0.942 4.236 0.987 1.00 0.00 H new ATOM 0 HG11 VAL A 31 1.104 5.492 0.326 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -0.318 6.559 0.405 1.00 0.00 H new ATOM 0 HG13 VAL A 31 0.880 6.575 1.721 1.00 0.00 H new ATOM 0 HG21 VAL A 31 1.292 3.533 1.815 1.00 0.00 H new ATOM 0 HG22 VAL A 31 1.082 4.570 3.246 1.00 0.00 H new ATOM 0 HG23 VAL A 31 0.014 3.169 2.998 1.00 0.00 H new ATOM 245 N ILE A 32 -2.964 3.840 3.600 1.00 0.00 N ATOM 246 CA ILE A 32 -3.411 2.841 4.611 1.00 0.00 C ATOM 247 C ILE A 32 -3.260 1.449 3.999 1.00 0.00 C ATOM 248 O ILE A 32 -3.591 1.237 2.849 1.00 0.00 O ATOM 249 CB ILE A 32 -4.880 3.163 4.877 1.00 0.00 C ATOM 250 CG1 ILE A 32 -4.975 4.426 5.738 1.00 0.00 C ATOM 251 CG2 ILE A 32 -5.536 1.993 5.611 1.00 0.00 C ATOM 252 CD1 ILE A 32 -4.370 4.153 7.117 1.00 0.00 C ATOM 0 H ILE A 32 -3.590 3.955 2.803 1.00 0.00 H new ATOM 0 HA ILE A 32 -2.835 2.871 5.536 1.00 0.00 H new ATOM 0 HB ILE A 32 -5.394 3.328 3.930 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -4.448 5.248 5.255 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -6.016 4.731 5.840 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -6.584 2.224 5.800 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -5.467 1.094 4.998 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -5.025 1.825 6.559 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -4.438 5.053 7.729 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -4.917 3.343 7.600 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -3.324 3.869 7.005 1.00 0.00 H new ATOM 264 N VAL A 33 -2.740 0.503 4.727 1.00 0.00 N ATOM 265 CA VAL A 33 -2.556 -0.845 4.123 1.00 0.00 C ATOM 266 C VAL A 33 -3.329 -1.931 4.885 1.00 0.00 C ATOM 267 O VAL A 33 -3.390 -1.946 6.098 1.00 0.00 O ATOM 268 CB VAL A 33 -1.037 -1.085 4.161 1.00 0.00 C ATOM 269 CG1 VAL A 33 -0.657 -2.054 5.287 1.00 0.00 C ATOM 270 CG2 VAL A 33 -0.597 -1.667 2.816 1.00 0.00 C ATOM 0 H VAL A 33 -2.439 0.600 5.697 1.00 0.00 H new ATOM 0 HA VAL A 33 -2.951 -0.891 3.108 1.00 0.00 H new ATOM 0 HB VAL A 33 -0.536 -0.136 4.349 1.00 0.00 H new ATOM 0 HG11 VAL A 33 0.423 -2.204 5.289 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -0.967 -1.638 6.245 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -1.156 -3.010 5.128 1.00 0.00 H new ATOM 0 HG21 VAL A 33 0.479 -1.842 2.830 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -1.116 -2.609 2.640 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -0.840 -0.965 2.019 1.00 0.00 H new ATOM 280 N GLU A 34 -3.898 -2.850 4.154 1.00 0.00 N ATOM 281 CA GLU A 34 -4.657 -3.970 4.775 1.00 0.00 C ATOM 282 C GLU A 34 -4.468 -5.237 3.927 1.00 0.00 C ATOM 283 O GLU A 34 -3.895 -5.196 2.853 1.00 0.00 O ATOM 284 CB GLU A 34 -6.118 -3.521 4.759 1.00 0.00 C ATOM 285 CG GLU A 34 -6.977 -4.555 5.489 1.00 0.00 C ATOM 286 CD GLU A 34 -6.381 -4.832 6.869 1.00 0.00 C ATOM 287 OE1 GLU A 34 -6.095 -3.875 7.572 1.00 0.00 O ATOM 288 OE2 GLU A 34 -6.219 -5.995 7.202 1.00 0.00 O ATOM 0 H GLU A 34 -3.868 -2.871 3.135 1.00 0.00 H new ATOM 0 HA GLU A 34 -4.323 -4.199 5.787 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -6.216 -2.547 5.239 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -6.463 -3.406 3.731 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -7.999 -4.189 5.590 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -7.025 -5.477 4.910 1.00 0.00 H new ATOM 295 N LYS A 35 -4.936 -6.362 4.392 1.00 0.00 N ATOM 296 CA LYS A 35 -4.764 -7.612 3.596 1.00 0.00 C ATOM 297 C LYS A 35 -6.024 -7.918 2.787 1.00 0.00 C ATOM 298 O LYS A 35 -7.097 -7.425 3.071 1.00 0.00 O ATOM 299 CB LYS A 35 -4.516 -8.718 4.621 1.00 0.00 C ATOM 300 CG LYS A 35 -3.327 -9.569 4.172 1.00 0.00 C ATOM 301 CD LYS A 35 -2.053 -8.725 4.216 1.00 0.00 C ATOM 302 CE LYS A 35 -1.707 -8.403 5.672 1.00 0.00 C ATOM 303 NZ LYS A 35 -1.832 -9.700 6.394 1.00 0.00 N ATOM 0 H LYS A 35 -5.426 -6.471 5.280 1.00 0.00 H new ATOM 0 HA LYS A 35 -3.944 -7.521 2.884 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -4.317 -8.283 5.601 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -5.405 -9.340 4.723 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -3.223 -10.439 4.821 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -3.494 -9.943 3.162 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -1.230 -9.264 3.746 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -2.194 -7.803 3.652 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -0.698 -7.999 5.758 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -2.386 -7.656 6.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -1.221 -9.689 7.236 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -2.820 -9.841 6.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -1.542 -10.476 5.766 1.00 0.00 H new ATOM 317 N ALA A 36 -5.896 -8.742 1.786 1.00 0.00 N ATOM 318 CA ALA A 36 -7.079 -9.105 0.954 1.00 0.00 C ATOM 319 C ALA A 36 -8.087 -9.878 1.809 1.00 0.00 C ATOM 320 O ALA A 36 -7.907 -10.003 3.004 1.00 0.00 O ATOM 321 CB ALA A 36 -6.518 -9.989 -0.163 1.00 0.00 C ATOM 0 H ALA A 36 -5.020 -9.182 1.506 1.00 0.00 H new ATOM 0 HA ALA A 36 -7.599 -8.235 0.553 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -7.328 -10.300 -0.822 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -5.780 -9.427 -0.735 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -6.046 -10.870 0.272 1.00 0.00 H new ATOM 327 N PRO A 37 -9.114 -10.381 1.177 1.00 0.00 N ATOM 328 CA PRO A 37 -10.141 -11.152 1.915 1.00 0.00 C ATOM 329 C PRO A 37 -9.577 -12.518 2.315 1.00 0.00 C ATOM 330 O PRO A 37 -9.315 -13.361 1.480 1.00 0.00 O ATOM 331 CB PRO A 37 -11.279 -11.295 0.909 1.00 0.00 C ATOM 332 CG PRO A 37 -10.629 -11.168 -0.432 1.00 0.00 C ATOM 333 CD PRO A 37 -9.419 -10.288 -0.258 1.00 0.00 C ATOM 0 HA PRO A 37 -10.466 -10.673 2.838 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -11.781 -12.257 1.015 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -12.035 -10.523 1.056 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -10.341 -12.147 -0.814 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -11.320 -10.734 -1.155 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -8.583 -10.634 -0.867 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -9.627 -9.260 -0.556 1.00 0.00 H new ATOM 341 N LYS A 38 -9.382 -12.740 3.587 1.00 0.00 N ATOM 342 CA LYS A 38 -8.831 -14.047 4.039 1.00 0.00 C ATOM 343 C LYS A 38 -7.453 -14.285 3.412 1.00 0.00 C ATOM 344 O LYS A 38 -7.145 -15.371 2.961 1.00 0.00 O ATOM 345 CB LYS A 38 -9.838 -15.080 3.545 1.00 0.00 C ATOM 346 CG LYS A 38 -10.715 -15.532 4.713 1.00 0.00 C ATOM 347 CD LYS A 38 -12.121 -14.952 4.547 1.00 0.00 C ATOM 348 CE LYS A 38 -12.031 -13.429 4.428 1.00 0.00 C ATOM 349 NZ LYS A 38 -13.398 -12.936 4.752 1.00 0.00 N ATOM 0 H LYS A 38 -9.581 -12.072 4.332 1.00 0.00 H new ATOM 0 HA LYS A 38 -8.694 -14.094 5.119 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -10.456 -14.653 2.755 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -9.317 -15.935 3.115 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -10.760 -16.620 4.748 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -10.282 -15.201 5.657 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -12.596 -15.370 3.660 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -12.742 -15.225 5.400 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -11.291 -13.022 5.117 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -11.731 -13.129 3.424 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -13.416 -11.898 4.692 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -14.080 -13.334 4.075 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -13.654 -13.231 5.716 1.00 0.00 H new ATOM 363 N ALA A 39 -6.623 -13.277 3.381 1.00 0.00 N ATOM 364 CA ALA A 39 -5.264 -13.445 2.784 1.00 0.00 C ATOM 365 C ALA A 39 -4.433 -14.415 3.628 1.00 0.00 C ATOM 366 O ALA A 39 -4.889 -14.925 4.632 1.00 0.00 O ATOM 367 CB ALA A 39 -4.647 -12.047 2.810 1.00 0.00 C ATOM 0 H ALA A 39 -6.826 -12.345 3.743 1.00 0.00 H new ATOM 0 HA ALA A 39 -5.302 -13.855 1.775 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -3.643 -12.084 2.387 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -5.263 -11.366 2.223 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -4.594 -11.692 3.839 1.00 0.00 H new ATOM 373 N ARG A 40 -3.218 -14.678 3.228 1.00 0.00 N ATOM 374 CA ARG A 40 -2.368 -15.619 4.013 1.00 0.00 C ATOM 375 C ARG A 40 -0.885 -15.259 3.872 1.00 0.00 C ATOM 376 O ARG A 40 -0.030 -16.123 3.865 1.00 0.00 O ATOM 377 CB ARG A 40 -2.643 -16.996 3.408 1.00 0.00 C ATOM 378 CG ARG A 40 -2.064 -17.057 1.993 1.00 0.00 C ATOM 379 CD ARG A 40 -3.117 -17.616 1.034 1.00 0.00 C ATOM 380 NE ARG A 40 -2.456 -18.773 0.368 1.00 0.00 N ATOM 381 CZ ARG A 40 -2.072 -19.801 1.074 1.00 0.00 C ATOM 382 NH1 ARG A 40 -2.748 -20.155 2.133 1.00 0.00 N ATOM 383 NH2 ARG A 40 -1.012 -20.475 0.721 1.00 0.00 N ATOM 0 H ARG A 40 -2.779 -14.284 2.396 1.00 0.00 H new ATOM 0 HA ARG A 40 -2.597 -15.583 5.078 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -2.197 -17.773 4.029 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -3.716 -17.186 3.382 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -1.756 -16.062 1.672 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -1.174 -17.686 1.980 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -4.013 -17.928 1.570 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -3.426 -16.866 0.306 1.00 0.00 H new ATOM 0 HE ARG A 40 -2.303 -18.762 -0.640 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -3.577 -19.628 2.409 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -2.448 -20.959 2.685 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -0.484 -20.198 -0.107 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -0.712 -21.279 1.273 1.00 0.00 H new ATOM 395 N ILE A 41 -0.567 -13.996 3.762 1.00 0.00 N ATOM 396 CA ILE A 41 0.868 -13.613 3.626 1.00 0.00 C ATOM 397 C ILE A 41 1.520 -13.478 5.010 1.00 0.00 C ATOM 398 O ILE A 41 0.884 -13.663 6.028 1.00 0.00 O ATOM 399 CB ILE A 41 0.904 -12.292 2.829 1.00 0.00 C ATOM 400 CG1 ILE A 41 0.129 -11.162 3.530 1.00 0.00 C ATOM 401 CG2 ILE A 41 0.285 -12.526 1.451 1.00 0.00 C ATOM 402 CD1 ILE A 41 0.834 -10.760 4.818 1.00 0.00 C ATOM 0 H ILE A 41 -1.231 -13.221 3.760 1.00 0.00 H new ATOM 0 HA ILE A 41 1.439 -14.376 3.097 1.00 0.00 H new ATOM 0 HB ILE A 41 1.947 -11.984 2.750 1.00 0.00 H new ATOM 0 HG12 ILE A 41 0.049 -10.301 2.867 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -0.887 -11.490 3.750 1.00 0.00 H new ATOM 0 HG21 ILE A 41 0.306 -11.598 0.880 1.00 0.00 H new ATOM 0 HG22 ILE A 41 0.854 -13.290 0.922 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -0.747 -12.857 1.567 1.00 0.00 H new ATOM 0 HD11 ILE A 41 0.276 -9.960 5.304 1.00 0.00 H new ATOM 0 HD12 ILE A 41 0.891 -11.620 5.485 1.00 0.00 H new ATOM 0 HD13 ILE A 41 1.841 -10.412 4.588 1.00 0.00 H new ATOM 414 N GLY A 42 2.796 -13.194 5.049 1.00 0.00 N ATOM 415 CA GLY A 42 3.512 -13.087 6.361 1.00 0.00 C ATOM 416 C GLY A 42 2.789 -12.133 7.311 1.00 0.00 C ATOM 417 O GLY A 42 1.716 -11.644 7.031 1.00 0.00 O ATOM 0 H GLY A 42 3.377 -13.031 4.227 1.00 0.00 H new ATOM 0 HA2 GLY A 42 3.586 -14.073 6.819 1.00 0.00 H new ATOM 0 HA3 GLY A 42 4.530 -12.736 6.195 1.00 0.00 H new ATOM 421 N ASP A 43 3.378 -11.873 8.444 1.00 0.00 N ATOM 422 CA ASP A 43 2.741 -10.954 9.433 1.00 0.00 C ATOM 423 C ASP A 43 3.020 -9.496 9.053 1.00 0.00 C ATOM 424 O ASP A 43 3.605 -9.216 8.026 1.00 0.00 O ATOM 425 CB ASP A 43 3.397 -11.298 10.770 1.00 0.00 C ATOM 426 CG ASP A 43 2.324 -11.392 11.856 1.00 0.00 C ATOM 427 OD1 ASP A 43 1.437 -12.217 11.714 1.00 0.00 O ATOM 428 OD2 ASP A 43 2.407 -10.637 12.811 1.00 0.00 O ATOM 0 H ASP A 43 4.278 -12.258 8.731 1.00 0.00 H new ATOM 0 HA ASP A 43 1.658 -11.070 9.470 1.00 0.00 H new ATOM 0 HB2 ASP A 43 3.933 -12.244 10.691 1.00 0.00 H new ATOM 0 HB3 ASP A 43 4.131 -10.536 11.034 1.00 0.00 H new ATOM 433 N LEU A 44 2.600 -8.565 9.868 1.00 0.00 N ATOM 434 CA LEU A 44 2.839 -7.127 9.541 1.00 0.00 C ATOM 435 C LEU A 44 3.217 -6.340 10.798 1.00 0.00 C ATOM 436 O LEU A 44 2.599 -6.473 11.836 1.00 0.00 O ATOM 437 CB LEU A 44 1.506 -6.618 8.997 1.00 0.00 C ATOM 438 CG LEU A 44 1.585 -6.460 7.479 1.00 0.00 C ATOM 439 CD1 LEU A 44 2.767 -5.560 7.114 1.00 0.00 C ATOM 440 CD2 LEU A 44 1.769 -7.832 6.831 1.00 0.00 C ATOM 0 H LEU A 44 2.104 -8.736 10.743 1.00 0.00 H new ATOM 0 HA LEU A 44 3.656 -7.007 8.830 1.00 0.00 H new ATOM 0 HB2 LEU A 44 0.708 -7.314 9.257 1.00 0.00 H new ATOM 0 HB3 LEU A 44 1.257 -5.662 9.458 1.00 0.00 H new ATOM 0 HG LEU A 44 0.662 -6.007 7.116 1.00 0.00 H new ATOM 0 HD11 LEU A 44 2.820 -5.450 6.031 1.00 0.00 H new ATOM 0 HD12 LEU A 44 2.633 -4.580 7.572 1.00 0.00 H new ATOM 0 HD13 LEU A 44 3.691 -6.008 7.479 1.00 0.00 H new ATOM 0 HD21 LEU A 44 1.825 -7.718 5.748 1.00 0.00 H new ATOM 0 HD22 LEU A 44 2.690 -8.286 7.197 1.00 0.00 H new ATOM 0 HD23 LEU A 44 0.923 -8.471 7.085 1.00 0.00 H new ATOM 452 N ASP A 45 4.215 -5.506 10.706 1.00 0.00 N ATOM 453 CA ASP A 45 4.618 -4.692 11.889 1.00 0.00 C ATOM 454 C ASP A 45 3.782 -3.410 11.936 1.00 0.00 C ATOM 455 O ASP A 45 3.548 -2.845 12.986 1.00 0.00 O ATOM 456 CB ASP A 45 6.097 -4.366 11.667 1.00 0.00 C ATOM 457 CG ASP A 45 6.287 -3.755 10.277 1.00 0.00 C ATOM 458 OD1 ASP A 45 5.611 -2.784 9.979 1.00 0.00 O ATOM 459 OD2 ASP A 45 7.106 -4.268 9.533 1.00 0.00 O ATOM 0 H ASP A 45 4.769 -5.352 9.864 1.00 0.00 H new ATOM 0 HA ASP A 45 4.462 -5.216 12.832 1.00 0.00 H new ATOM 0 HB2 ASP A 45 6.445 -3.671 12.431 1.00 0.00 H new ATOM 0 HB3 ASP A 45 6.697 -5.271 11.762 1.00 0.00 H new ATOM 464 N LYS A 46 3.328 -2.953 10.800 1.00 0.00 N ATOM 465 CA LYS A 46 2.502 -1.712 10.760 1.00 0.00 C ATOM 466 C LYS A 46 1.575 -1.743 9.539 1.00 0.00 C ATOM 467 O LYS A 46 1.853 -2.407 8.560 1.00 0.00 O ATOM 468 CB LYS A 46 3.509 -0.569 10.643 1.00 0.00 C ATOM 469 CG LYS A 46 4.097 -0.264 12.023 1.00 0.00 C ATOM 470 CD LYS A 46 5.528 -0.803 12.101 1.00 0.00 C ATOM 471 CE LYS A 46 6.068 -0.614 13.520 1.00 0.00 C ATOM 472 NZ LYS A 46 6.657 -1.933 13.885 1.00 0.00 N ATOM 0 H LYS A 46 3.495 -3.389 9.893 1.00 0.00 H new ATOM 0 HA LYS A 46 1.869 -1.604 11.641 1.00 0.00 H new ATOM 0 HB2 LYS A 46 4.304 -0.840 9.949 1.00 0.00 H new ATOM 0 HB3 LYS A 46 3.022 0.319 10.239 1.00 0.00 H new ATOM 0 HG2 LYS A 46 4.092 0.811 12.202 1.00 0.00 H new ATOM 0 HG3 LYS A 46 3.483 -0.719 12.800 1.00 0.00 H new ATOM 0 HD2 LYS A 46 5.545 -1.859 11.832 1.00 0.00 H new ATOM 0 HD3 LYS A 46 6.164 -0.281 11.386 1.00 0.00 H new ATOM 0 HE2 LYS A 46 6.817 0.177 13.555 1.00 0.00 H new ATOM 0 HE3 LYS A 46 5.274 -0.331 14.211 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 7.138 -1.856 14.804 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 5.902 -2.645 13.948 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 7.343 -2.220 13.158 1.00 0.00 H new ATOM 486 N LYS A 47 0.479 -1.033 9.582 1.00 0.00 N ATOM 487 CA LYS A 47 -0.449 -1.034 8.413 1.00 0.00 C ATOM 488 C LYS A 47 -0.690 0.398 7.934 1.00 0.00 C ATOM 489 O LYS A 47 -1.800 0.784 7.627 1.00 0.00 O ATOM 490 CB LYS A 47 -1.748 -1.664 8.925 1.00 0.00 C ATOM 491 CG LYS A 47 -2.428 -0.725 9.925 1.00 0.00 C ATOM 492 CD LYS A 47 -1.826 -0.933 11.315 1.00 0.00 C ATOM 493 CE LYS A 47 -2.950 -1.085 12.341 1.00 0.00 C ATOM 494 NZ LYS A 47 -2.274 -1.028 13.668 1.00 0.00 N ATOM 0 H LYS A 47 0.187 -0.456 10.371 1.00 0.00 H new ATOM 0 HA LYS A 47 -0.045 -1.588 7.566 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -2.418 -1.865 8.089 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -1.535 -2.622 9.400 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -2.298 0.311 9.613 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -3.500 -0.918 9.949 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -1.193 -1.820 11.320 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -1.191 -0.087 11.578 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -3.687 -0.288 12.239 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -3.480 -2.028 12.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -2.983 -1.126 14.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -1.583 -1.802 13.739 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -1.784 -0.116 13.769 1.00 0.00 H new ATOM 508 N LYS A 48 0.344 1.184 7.868 1.00 0.00 N ATOM 509 CA LYS A 48 0.188 2.592 7.406 1.00 0.00 C ATOM 510 C LYS A 48 1.537 3.134 6.934 1.00 0.00 C ATOM 511 O LYS A 48 2.430 3.368 7.725 1.00 0.00 O ATOM 512 CB LYS A 48 -0.299 3.360 8.634 1.00 0.00 C ATOM 513 CG LYS A 48 0.582 3.011 9.835 1.00 0.00 C ATOM 514 CD LYS A 48 0.844 4.272 10.661 1.00 0.00 C ATOM 515 CE LYS A 48 2.350 4.436 10.877 1.00 0.00 C ATOM 516 NZ LYS A 48 2.473 5.352 12.046 1.00 0.00 N ATOM 0 H LYS A 48 1.296 0.913 8.115 1.00 0.00 H new ATOM 0 HA LYS A 48 -0.506 2.683 6.570 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -0.264 4.433 8.443 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -1.338 3.108 8.846 1.00 0.00 H new ATOM 0 HG2 LYS A 48 0.093 2.256 10.450 1.00 0.00 H new ATOM 0 HG3 LYS A 48 1.525 2.584 9.495 1.00 0.00 H new ATOM 0 HD2 LYS A 48 0.442 5.146 10.148 1.00 0.00 H new ATOM 0 HD3 LYS A 48 0.333 4.203 11.622 1.00 0.00 H new ATOM 0 HE2 LYS A 48 2.827 3.476 11.075 1.00 0.00 H new ATOM 0 HE3 LYS A 48 2.832 4.855 9.994 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 3.479 5.513 12.256 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 2.015 6.260 11.826 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 2.011 4.923 12.873 1.00 0.00 H new ATOM 530 N TYR A 49 1.702 3.332 5.655 1.00 0.00 N ATOM 531 CA TYR A 49 3.007 3.853 5.158 1.00 0.00 C ATOM 532 C TYR A 49 2.883 5.315 4.738 1.00 0.00 C ATOM 533 O TYR A 49 1.906 5.730 4.147 1.00 0.00 O ATOM 534 CB TYR A 49 3.360 2.996 3.943 1.00 0.00 C ATOM 535 CG TYR A 49 3.655 1.582 4.377 1.00 0.00 C ATOM 536 CD1 TYR A 49 2.619 0.754 4.818 1.00 0.00 C ATOM 537 CD2 TYR A 49 4.968 1.101 4.337 1.00 0.00 C ATOM 538 CE1 TYR A 49 2.894 -0.557 5.222 1.00 0.00 C ATOM 539 CE2 TYR A 49 5.245 -0.211 4.740 1.00 0.00 C ATOM 540 CZ TYR A 49 4.207 -1.040 5.184 1.00 0.00 C ATOM 541 OH TYR A 49 4.477 -2.332 5.583 1.00 0.00 O ATOM 0 H TYR A 49 0.997 3.158 4.938 1.00 0.00 H new ATOM 0 HA TYR A 49 3.771 3.803 5.934 1.00 0.00 H new ATOM 0 HB2 TYR A 49 2.534 3.002 3.231 1.00 0.00 H new ATOM 0 HB3 TYR A 49 4.226 3.416 3.431 1.00 0.00 H new ATOM 0 HD1 TYR A 49 1.606 1.126 4.847 1.00 0.00 H new ATOM 0 HD2 TYR A 49 5.768 1.741 3.995 1.00 0.00 H new ATOM 0 HE1 TYR A 49 2.093 -1.196 5.563 1.00 0.00 H new ATOM 0 HE2 TYR A 49 6.258 -0.583 4.709 1.00 0.00 H new ATOM 0 HH TYR A 49 3.698 -2.899 5.405 1.00 0.00 H new ATOM 551 N LEU A 50 3.890 6.086 5.016 1.00 0.00 N ATOM 552 CA LEU A 50 3.880 7.518 4.614 1.00 0.00 C ATOM 553 C LEU A 50 4.853 7.686 3.451 1.00 0.00 C ATOM 554 O LEU A 50 6.042 7.841 3.643 1.00 0.00 O ATOM 555 CB LEU A 50 4.362 8.286 5.846 1.00 0.00 C ATOM 556 CG LEU A 50 3.190 9.047 6.467 1.00 0.00 C ATOM 557 CD1 LEU A 50 2.114 8.056 6.912 1.00 0.00 C ATOM 558 CD2 LEU A 50 3.685 9.840 7.678 1.00 0.00 C ATOM 0 H LEU A 50 4.730 5.784 5.510 1.00 0.00 H new ATOM 0 HA LEU A 50 2.901 7.876 4.294 1.00 0.00 H new ATOM 0 HB2 LEU A 50 4.787 7.595 6.574 1.00 0.00 H new ATOM 0 HB3 LEU A 50 5.153 8.982 5.567 1.00 0.00 H new ATOM 0 HG LEU A 50 2.769 9.731 5.730 1.00 0.00 H new ATOM 0 HD11 LEU A 50 1.279 8.600 7.354 1.00 0.00 H new ATOM 0 HD12 LEU A 50 1.762 7.490 6.050 1.00 0.00 H new ATOM 0 HD13 LEU A 50 2.533 7.371 7.649 1.00 0.00 H new ATOM 0 HD21 LEU A 50 2.851 10.383 8.123 1.00 0.00 H new ATOM 0 HD22 LEU A 50 4.105 9.155 8.414 1.00 0.00 H new ATOM 0 HD23 LEU A 50 4.451 10.547 7.361 1.00 0.00 H new ATOM 570 N VAL A 51 4.368 7.616 2.245 1.00 0.00 N ATOM 571 CA VAL A 51 5.286 7.728 1.078 1.00 0.00 C ATOM 572 C VAL A 51 5.025 9.009 0.287 1.00 0.00 C ATOM 573 O VAL A 51 3.924 9.520 0.269 1.00 0.00 O ATOM 574 CB VAL A 51 4.975 6.498 0.228 1.00 0.00 C ATOM 575 CG1 VAL A 51 5.283 5.230 1.033 1.00 0.00 C ATOM 576 CG2 VAL A 51 3.494 6.510 -0.156 1.00 0.00 C ATOM 0 H VAL A 51 3.382 7.487 2.016 1.00 0.00 H new ATOM 0 HA VAL A 51 6.331 7.773 1.384 1.00 0.00 H new ATOM 0 HB VAL A 51 5.587 6.513 -0.674 1.00 0.00 H new ATOM 0 HG11 VAL A 51 5.061 4.352 0.427 1.00 0.00 H new ATOM 0 HG12 VAL A 51 6.337 5.223 1.311 1.00 0.00 H new ATOM 0 HG13 VAL A 51 4.670 5.213 1.934 1.00 0.00 H new ATOM 0 HG21 VAL A 51 3.268 5.633 -0.763 1.00 0.00 H new ATOM 0 HG22 VAL A 51 2.884 6.493 0.747 1.00 0.00 H new ATOM 0 HG23 VAL A 51 3.273 7.412 -0.726 1.00 0.00 H new ATOM 586 N PRO A 52 6.062 9.473 -0.355 1.00 0.00 N ATOM 587 CA PRO A 52 5.967 10.702 -1.178 1.00 0.00 C ATOM 588 C PRO A 52 5.132 10.418 -2.434 1.00 0.00 C ATOM 589 O PRO A 52 5.152 9.327 -2.969 1.00 0.00 O ATOM 590 CB PRO A 52 7.424 11.012 -1.522 1.00 0.00 C ATOM 591 CG PRO A 52 8.130 9.700 -1.424 1.00 0.00 C ATOM 592 CD PRO A 52 7.411 8.899 -0.372 1.00 0.00 C ATOM 0 HA PRO A 52 5.480 11.538 -0.675 1.00 0.00 H new ATOM 0 HB2 PRO A 52 7.512 11.434 -2.523 1.00 0.00 H new ATOM 0 HB3 PRO A 52 7.847 11.741 -0.830 1.00 0.00 H new ATOM 0 HG2 PRO A 52 8.116 9.181 -2.382 1.00 0.00 H new ATOM 0 HG3 PRO A 52 9.176 9.843 -1.154 1.00 0.00 H new ATOM 0 HD2 PRO A 52 7.391 7.838 -0.621 1.00 0.00 H new ATOM 0 HD3 PRO A 52 7.896 8.989 0.600 1.00 0.00 H new ATOM 600 N SER A 53 4.382 11.382 -2.888 1.00 0.00 N ATOM 601 CA SER A 53 3.522 11.166 -4.088 1.00 0.00 C ATOM 602 C SER A 53 4.364 10.858 -5.334 1.00 0.00 C ATOM 603 O SER A 53 3.846 10.454 -6.355 1.00 0.00 O ATOM 604 CB SER A 53 2.770 12.484 -4.266 1.00 0.00 C ATOM 605 OG SER A 53 1.548 12.428 -3.540 1.00 0.00 O ATOM 0 H SER A 53 4.326 12.315 -2.479 1.00 0.00 H new ATOM 0 HA SER A 53 2.854 10.315 -3.957 1.00 0.00 H new ATOM 0 HB2 SER A 53 3.380 13.315 -3.911 1.00 0.00 H new ATOM 0 HB3 SER A 53 2.571 12.663 -5.323 1.00 0.00 H new ATOM 0 HG SER A 53 1.063 13.272 -3.650 1.00 0.00 H new ATOM 611 N ASP A 54 5.649 11.053 -5.265 1.00 0.00 N ATOM 612 CA ASP A 54 6.511 10.780 -6.453 1.00 0.00 C ATOM 613 C ASP A 54 6.920 9.302 -6.511 1.00 0.00 C ATOM 614 O ASP A 54 7.408 8.830 -7.518 1.00 0.00 O ATOM 615 CB ASP A 54 7.742 11.665 -6.258 1.00 0.00 C ATOM 616 CG ASP A 54 8.582 11.660 -7.537 1.00 0.00 C ATOM 617 OD1 ASP A 54 8.074 12.093 -8.558 1.00 0.00 O ATOM 618 OD2 ASP A 54 9.719 11.223 -7.474 1.00 0.00 O ATOM 0 H ASP A 54 6.143 11.390 -4.439 1.00 0.00 H new ATOM 0 HA ASP A 54 5.990 10.992 -7.386 1.00 0.00 H new ATOM 0 HB2 ASP A 54 7.437 12.683 -6.015 1.00 0.00 H new ATOM 0 HB3 ASP A 54 8.335 11.301 -5.419 1.00 0.00 H new ATOM 623 N LEU A 55 6.744 8.572 -5.442 1.00 0.00 N ATOM 624 CA LEU A 55 7.148 7.133 -5.457 1.00 0.00 C ATOM 625 C LEU A 55 6.356 6.344 -6.495 1.00 0.00 C ATOM 626 O LEU A 55 5.176 6.551 -6.687 1.00 0.00 O ATOM 627 CB LEU A 55 6.826 6.589 -4.063 1.00 0.00 C ATOM 628 CG LEU A 55 8.112 6.425 -3.255 1.00 0.00 C ATOM 629 CD1 LEU A 55 7.830 5.566 -2.021 1.00 0.00 C ATOM 630 CD2 LEU A 55 9.181 5.731 -4.102 1.00 0.00 C ATOM 0 H LEU A 55 6.342 8.905 -4.566 1.00 0.00 H new ATOM 0 HA LEU A 55 8.204 7.038 -5.711 1.00 0.00 H new ATOM 0 HB2 LEU A 55 6.147 7.268 -3.547 1.00 0.00 H new ATOM 0 HB3 LEU A 55 6.315 5.630 -4.147 1.00 0.00 H new ATOM 0 HG LEU A 55 8.468 7.411 -2.956 1.00 0.00 H new ATOM 0 HD11 LEU A 55 8.746 5.448 -1.443 1.00 0.00 H new ATOM 0 HD12 LEU A 55 7.073 6.051 -1.405 1.00 0.00 H new ATOM 0 HD13 LEU A 55 7.470 4.586 -2.334 1.00 0.00 H new ATOM 0 HD21 LEU A 55 10.093 5.619 -3.516 1.00 0.00 H new ATOM 0 HD22 LEU A 55 8.822 4.748 -4.406 1.00 0.00 H new ATOM 0 HD23 LEU A 55 9.390 6.331 -4.988 1.00 0.00 H new ATOM 642 N THR A 56 7.004 5.419 -7.144 1.00 0.00 N ATOM 643 CA THR A 56 6.304 4.578 -8.154 1.00 0.00 C ATOM 644 C THR A 56 5.749 3.317 -7.484 1.00 0.00 C ATOM 645 O THR A 56 6.155 2.948 -6.395 1.00 0.00 O ATOM 646 CB THR A 56 7.379 4.212 -9.180 1.00 0.00 C ATOM 647 OG1 THR A 56 8.612 3.991 -8.510 1.00 0.00 O ATOM 648 CG2 THR A 56 7.539 5.353 -10.186 1.00 0.00 C ATOM 0 H THR A 56 7.994 5.208 -7.018 1.00 0.00 H new ATOM 0 HA THR A 56 5.463 5.095 -8.616 1.00 0.00 H new ATOM 0 HB THR A 56 7.084 3.306 -9.709 1.00 0.00 H new ATOM 0 HG1 THR A 56 9.302 3.755 -9.164 1.00 0.00 H new ATOM 0 HG21 THR A 56 8.305 5.090 -10.916 1.00 0.00 H new ATOM 0 HG22 THR A 56 6.592 5.521 -10.699 1.00 0.00 H new ATOM 0 HG23 THR A 56 7.834 6.262 -9.662 1.00 0.00 H new ATOM 656 N VAL A 57 4.828 2.649 -8.121 1.00 0.00 N ATOM 657 CA VAL A 57 4.260 1.412 -7.515 1.00 0.00 C ATOM 658 C VAL A 57 5.376 0.397 -7.256 1.00 0.00 C ATOM 659 O VAL A 57 5.270 -0.450 -6.392 1.00 0.00 O ATOM 660 CB VAL A 57 3.273 0.879 -8.554 1.00 0.00 C ATOM 661 CG1 VAL A 57 2.661 -0.431 -8.053 1.00 0.00 C ATOM 662 CG2 VAL A 57 2.162 1.907 -8.774 1.00 0.00 C ATOM 0 H VAL A 57 4.445 2.904 -9.031 1.00 0.00 H new ATOM 0 HA VAL A 57 3.775 1.602 -6.558 1.00 0.00 H new ATOM 0 HB VAL A 57 3.796 0.700 -9.493 1.00 0.00 H new ATOM 0 HG11 VAL A 57 1.957 -0.811 -8.794 1.00 0.00 H new ATOM 0 HG12 VAL A 57 3.451 -1.164 -7.894 1.00 0.00 H new ATOM 0 HG13 VAL A 57 2.138 -0.252 -7.114 1.00 0.00 H new ATOM 0 HG21 VAL A 57 1.457 1.528 -9.515 1.00 0.00 H new ATOM 0 HG22 VAL A 57 1.640 2.085 -7.834 1.00 0.00 H new ATOM 0 HG23 VAL A 57 2.596 2.841 -9.130 1.00 0.00 H new ATOM 672 N GLY A 58 6.446 0.477 -8.001 1.00 0.00 N ATOM 673 CA GLY A 58 7.571 -0.481 -7.798 1.00 0.00 C ATOM 674 C GLY A 58 8.213 -0.240 -6.429 1.00 0.00 C ATOM 675 O GLY A 58 8.573 -1.166 -5.731 1.00 0.00 O ATOM 0 H GLY A 58 6.590 1.164 -8.741 1.00 0.00 H new ATOM 0 HA2 GLY A 58 7.205 -1.506 -7.864 1.00 0.00 H new ATOM 0 HA3 GLY A 58 8.314 -0.357 -8.586 1.00 0.00 H new ATOM 679 N GLN A 59 8.359 0.998 -6.038 1.00 0.00 N ATOM 680 CA GLN A 59 8.978 1.290 -4.711 1.00 0.00 C ATOM 681 C GLN A 59 8.052 0.819 -3.591 1.00 0.00 C ATOM 682 O GLN A 59 8.471 0.143 -2.666 1.00 0.00 O ATOM 683 CB GLN A 59 9.142 2.807 -4.673 1.00 0.00 C ATOM 684 CG GLN A 59 10.020 3.245 -5.843 1.00 0.00 C ATOM 685 CD GLN A 59 11.203 4.062 -5.321 1.00 0.00 C ATOM 686 OE1 GLN A 59 11.305 5.242 -5.587 1.00 0.00 O ATOM 687 NE2 GLN A 59 12.108 3.478 -4.584 1.00 0.00 N ATOM 0 H GLN A 59 8.078 1.817 -6.577 1.00 0.00 H new ATOM 0 HA GLN A 59 9.931 0.779 -4.575 1.00 0.00 H new ATOM 0 HB2 GLN A 59 8.168 3.292 -4.732 1.00 0.00 H new ATOM 0 HB3 GLN A 59 9.593 3.113 -3.729 1.00 0.00 H new ATOM 0 HG2 GLN A 59 10.380 2.372 -6.387 1.00 0.00 H new ATOM 0 HG3 GLN A 59 9.436 3.840 -6.546 1.00 0.00 H new ATOM 0 HE21 GLN A 59 12.022 2.486 -4.361 1.00 0.00 H new ATOM 0 HE22 GLN A 59 12.901 4.013 -4.231 1.00 0.00 H new ATOM 696 N PHE A 60 6.793 1.154 -3.663 1.00 0.00 N ATOM 697 CA PHE A 60 5.863 0.698 -2.593 1.00 0.00 C ATOM 698 C PHE A 60 5.854 -0.832 -2.557 1.00 0.00 C ATOM 699 O PHE A 60 5.723 -1.441 -1.516 1.00 0.00 O ATOM 700 CB PHE A 60 4.482 1.243 -2.965 1.00 0.00 C ATOM 701 CG PHE A 60 3.614 1.210 -1.731 1.00 0.00 C ATOM 702 CD1 PHE A 60 4.081 1.778 -0.540 1.00 0.00 C ATOM 703 CD2 PHE A 60 2.360 0.590 -1.764 1.00 0.00 C ATOM 704 CE1 PHE A 60 3.297 1.731 0.616 1.00 0.00 C ATOM 705 CE2 PHE A 60 1.577 0.538 -0.605 1.00 0.00 C ATOM 706 CZ PHE A 60 2.047 1.109 0.584 1.00 0.00 C ATOM 0 H PHE A 60 6.373 1.715 -4.404 1.00 0.00 H new ATOM 0 HA PHE A 60 6.161 1.053 -1.607 1.00 0.00 H new ATOM 0 HB2 PHE A 60 4.565 2.262 -3.344 1.00 0.00 H new ATOM 0 HB3 PHE A 60 4.037 0.642 -3.759 1.00 0.00 H new ATOM 0 HD1 PHE A 60 5.050 2.254 -0.514 1.00 0.00 H new ATOM 0 HD2 PHE A 60 1.997 0.152 -2.682 1.00 0.00 H new ATOM 0 HE1 PHE A 60 3.657 2.175 1.532 1.00 0.00 H new ATOM 0 HE2 PHE A 60 0.610 0.057 -0.628 1.00 0.00 H new ATOM 0 HZ PHE A 60 1.442 1.068 1.478 1.00 0.00 H new ATOM 716 N TYR A 61 6.027 -1.451 -3.690 1.00 0.00 N ATOM 717 CA TYR A 61 6.063 -2.939 -3.747 1.00 0.00 C ATOM 718 C TYR A 61 7.134 -3.477 -2.790 1.00 0.00 C ATOM 719 O TYR A 61 6.978 -4.519 -2.180 1.00 0.00 O ATOM 720 CB TYR A 61 6.461 -3.231 -5.194 1.00 0.00 C ATOM 721 CG TYR A 61 5.502 -4.215 -5.814 1.00 0.00 C ATOM 722 CD1 TYR A 61 5.637 -5.581 -5.554 1.00 0.00 C ATOM 723 CD2 TYR A 61 4.486 -3.761 -6.660 1.00 0.00 C ATOM 724 CE1 TYR A 61 4.754 -6.497 -6.138 1.00 0.00 C ATOM 725 CE2 TYR A 61 3.601 -4.674 -7.245 1.00 0.00 C ATOM 726 CZ TYR A 61 3.735 -6.043 -6.984 1.00 0.00 C ATOM 727 OH TYR A 61 2.865 -6.946 -7.562 1.00 0.00 O ATOM 0 H TYR A 61 6.146 -0.985 -4.589 1.00 0.00 H new ATOM 0 HA TYR A 61 5.119 -3.401 -3.460 1.00 0.00 H new ATOM 0 HB2 TYR A 61 6.466 -2.306 -5.770 1.00 0.00 H new ATOM 0 HB3 TYR A 61 7.474 -3.632 -5.225 1.00 0.00 H new ATOM 0 HD1 TYR A 61 6.424 -5.931 -4.902 1.00 0.00 H new ATOM 0 HD2 TYR A 61 4.384 -2.705 -6.862 1.00 0.00 H new ATOM 0 HE1 TYR A 61 4.859 -7.553 -5.936 1.00 0.00 H new ATOM 0 HE2 TYR A 61 2.815 -4.323 -7.897 1.00 0.00 H new ATOM 0 HH TYR A 61 2.218 -6.466 -8.119 1.00 0.00 H new ATOM 737 N PHE A 62 8.233 -2.780 -2.678 1.00 0.00 N ATOM 738 CA PHE A 62 9.342 -3.251 -1.798 1.00 0.00 C ATOM 739 C PHE A 62 9.082 -2.964 -0.313 1.00 0.00 C ATOM 740 O PHE A 62 9.249 -3.831 0.521 1.00 0.00 O ATOM 741 CB PHE A 62 10.571 -2.480 -2.276 1.00 0.00 C ATOM 742 CG PHE A 62 11.771 -3.395 -2.268 1.00 0.00 C ATOM 743 CD1 PHE A 62 12.063 -4.174 -3.392 1.00 0.00 C ATOM 744 CD2 PHE A 62 12.590 -3.466 -1.135 1.00 0.00 C ATOM 745 CE1 PHE A 62 13.175 -5.025 -3.386 1.00 0.00 C ATOM 746 CE2 PHE A 62 13.702 -4.316 -1.127 1.00 0.00 C ATOM 747 CZ PHE A 62 13.994 -5.096 -2.253 1.00 0.00 C ATOM 0 H PHE A 62 8.411 -1.900 -3.161 1.00 0.00 H new ATOM 0 HA PHE A 62 9.458 -4.333 -1.868 1.00 0.00 H new ATOM 0 HB2 PHE A 62 10.402 -2.092 -3.281 1.00 0.00 H new ATOM 0 HB3 PHE A 62 10.750 -1.622 -1.629 1.00 0.00 H new ATOM 0 HD1 PHE A 62 11.430 -4.119 -4.266 1.00 0.00 H new ATOM 0 HD2 PHE A 62 12.364 -2.865 -0.267 1.00 0.00 H new ATOM 0 HE1 PHE A 62 13.401 -5.626 -4.255 1.00 0.00 H new ATOM 0 HE2 PHE A 62 14.334 -4.370 -0.253 1.00 0.00 H new ATOM 0 HZ PHE A 62 14.851 -5.753 -2.247 1.00 0.00 H new ATOM 757 N LEU A 63 8.725 -1.759 0.045 1.00 0.00 N ATOM 758 CA LEU A 63 8.529 -1.478 1.505 1.00 0.00 C ATOM 759 C LEU A 63 7.465 -2.394 2.129 1.00 0.00 C ATOM 760 O LEU A 63 7.656 -2.882 3.225 1.00 0.00 O ATOM 761 CB LEU A 63 8.166 0.007 1.663 1.00 0.00 C ATOM 762 CG LEU A 63 7.104 0.452 0.660 1.00 0.00 C ATOM 763 CD1 LEU A 63 5.762 0.613 1.381 1.00 0.00 C ATOM 764 CD2 LEU A 63 7.534 1.804 0.077 1.00 0.00 C ATOM 0 H LEU A 63 8.563 -0.975 -0.587 1.00 0.00 H new ATOM 0 HA LEU A 63 9.453 -1.690 2.043 1.00 0.00 H new ATOM 0 HB2 LEU A 63 7.804 0.185 2.676 1.00 0.00 H new ATOM 0 HB3 LEU A 63 9.062 0.614 1.534 1.00 0.00 H new ATOM 0 HG LEU A 63 6.998 -0.287 -0.134 1.00 0.00 H new ATOM 0 HD11 LEU A 63 5.002 0.931 0.668 1.00 0.00 H new ATOM 0 HD12 LEU A 63 5.470 -0.340 1.823 1.00 0.00 H new ATOM 0 HD13 LEU A 63 5.859 1.363 2.166 1.00 0.00 H new ATOM 0 HD21 LEU A 63 6.790 2.143 -0.643 1.00 0.00 H new ATOM 0 HD22 LEU A 63 7.621 2.536 0.880 1.00 0.00 H new ATOM 0 HD23 LEU A 63 8.498 1.696 -0.421 1.00 0.00 H new ATOM 776 N ILE A 64 6.370 -2.679 1.469 1.00 0.00 N ATOM 777 CA ILE A 64 5.396 -3.612 2.121 1.00 0.00 C ATOM 778 C ILE A 64 5.953 -5.030 2.024 1.00 0.00 C ATOM 779 O ILE A 64 5.902 -5.794 2.964 1.00 0.00 O ATOM 780 CB ILE A 64 4.053 -3.541 1.379 1.00 0.00 C ATOM 781 CG1 ILE A 64 3.797 -2.131 0.824 1.00 0.00 C ATOM 782 CG2 ILE A 64 2.943 -3.921 2.364 1.00 0.00 C ATOM 783 CD1 ILE A 64 2.302 -1.933 0.536 1.00 0.00 C ATOM 0 H ILE A 64 6.113 -2.325 0.547 1.00 0.00 H new ATOM 0 HA ILE A 64 5.246 -3.336 3.165 1.00 0.00 H new ATOM 0 HB ILE A 64 4.072 -4.229 0.534 1.00 0.00 H new ATOM 0 HG12 ILE A 64 4.138 -1.384 1.541 1.00 0.00 H new ATOM 0 HG13 ILE A 64 4.373 -1.983 -0.090 1.00 0.00 H new ATOM 0 HG21 ILE A 64 1.978 -3.878 1.859 1.00 0.00 H new ATOM 0 HG22 ILE A 64 3.114 -4.932 2.733 1.00 0.00 H new ATOM 0 HG23 ILE A 64 2.946 -3.224 3.202 1.00 0.00 H new ATOM 0 HD11 ILE A 64 2.137 -0.930 0.144 1.00 0.00 H new ATOM 0 HD12 ILE A 64 1.972 -2.668 -0.198 1.00 0.00 H new ATOM 0 HD13 ILE A 64 1.734 -2.060 1.458 1.00 0.00 H new ATOM 795 N ARG A 65 6.493 -5.379 0.885 1.00 0.00 N ATOM 796 CA ARG A 65 7.069 -6.748 0.711 1.00 0.00 C ATOM 797 C ARG A 65 7.813 -7.183 1.978 1.00 0.00 C ATOM 798 O ARG A 65 7.541 -8.224 2.542 1.00 0.00 O ATOM 799 CB ARG A 65 8.044 -6.617 -0.459 1.00 0.00 C ATOM 800 CG ARG A 65 7.390 -7.144 -1.738 1.00 0.00 C ATOM 801 CD ARG A 65 8.283 -6.816 -2.938 1.00 0.00 C ATOM 802 NE ARG A 65 8.525 -8.126 -3.605 1.00 0.00 N ATOM 803 CZ ARG A 65 9.564 -8.843 -3.275 1.00 0.00 C ATOM 804 NH1 ARG A 65 10.752 -8.507 -3.699 1.00 0.00 N ATOM 805 NH2 ARG A 65 9.415 -9.898 -2.522 1.00 0.00 N ATOM 0 H ARG A 65 6.560 -4.775 0.066 1.00 0.00 H new ATOM 0 HA ARG A 65 6.299 -7.497 0.525 1.00 0.00 H new ATOM 0 HB2 ARG A 65 8.332 -5.574 -0.590 1.00 0.00 H new ATOM 0 HB3 ARG A 65 8.956 -7.176 -0.249 1.00 0.00 H new ATOM 0 HG2 ARG A 65 7.240 -8.221 -1.666 1.00 0.00 H new ATOM 0 HG3 ARG A 65 6.406 -6.693 -1.869 1.00 0.00 H new ATOM 0 HD2 ARG A 65 7.795 -6.113 -3.613 1.00 0.00 H new ATOM 0 HD3 ARG A 65 9.219 -6.356 -2.620 1.00 0.00 H new ATOM 0 HE ARG A 65 7.879 -8.462 -4.319 1.00 0.00 H new ATOM 0 HH11 ARG A 65 10.869 -7.683 -4.289 1.00 0.00 H new ATOM 0 HH12 ARG A 65 11.563 -9.068 -3.440 1.00 0.00 H new ATOM 0 HH21 ARG A 65 8.487 -10.162 -2.192 1.00 0.00 H new ATOM 0 HH22 ARG A 65 10.227 -10.459 -2.264 1.00 0.00 H new ATOM 817 N LYS A 66 8.753 -6.396 2.429 1.00 0.00 N ATOM 818 CA LYS A 66 9.512 -6.771 3.659 1.00 0.00 C ATOM 819 C LYS A 66 8.572 -6.801 4.862 1.00 0.00 C ATOM 820 O LYS A 66 8.705 -7.626 5.744 1.00 0.00 O ATOM 821 CB LYS A 66 10.568 -5.679 3.826 1.00 0.00 C ATOM 822 CG LYS A 66 11.884 -6.139 3.195 1.00 0.00 C ATOM 823 CD LYS A 66 12.469 -5.006 2.352 1.00 0.00 C ATOM 824 CE LYS A 66 13.237 -4.040 3.259 1.00 0.00 C ATOM 825 NZ LYS A 66 14.345 -3.516 2.411 1.00 0.00 N ATOM 0 H LYS A 66 9.028 -5.512 2.001 1.00 0.00 H new ATOM 0 HA LYS A 66 9.964 -7.760 3.582 1.00 0.00 H new ATOM 0 HB2 LYS A 66 10.230 -4.756 3.355 1.00 0.00 H new ATOM 0 HB3 LYS A 66 10.716 -5.461 4.884 1.00 0.00 H new ATOM 0 HG2 LYS A 66 12.590 -6.430 3.973 1.00 0.00 H new ATOM 0 HG3 LYS A 66 11.714 -7.018 2.574 1.00 0.00 H new ATOM 0 HD2 LYS A 66 13.133 -5.412 1.589 1.00 0.00 H new ATOM 0 HD3 LYS A 66 11.671 -4.476 1.831 1.00 0.00 H new ATOM 0 HE2 LYS A 66 12.594 -3.233 3.611 1.00 0.00 H new ATOM 0 HE3 LYS A 66 13.622 -4.549 4.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 14.918 -2.846 2.963 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 14.944 -4.306 2.096 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 13.948 -3.030 1.582 1.00 0.00 H new ATOM 839 N ARG A 67 7.617 -5.916 4.903 1.00 0.00 N ATOM 840 CA ARG A 67 6.664 -5.911 6.046 1.00 0.00 C ATOM 841 C ARG A 67 5.768 -7.148 5.959 1.00 0.00 C ATOM 842 O ARG A 67 5.095 -7.512 6.903 1.00 0.00 O ATOM 843 CB ARG A 67 5.844 -4.633 5.877 1.00 0.00 C ATOM 844 CG ARG A 67 6.787 -3.431 5.792 1.00 0.00 C ATOM 845 CD ARG A 67 6.720 -2.635 7.097 1.00 0.00 C ATOM 846 NE ARG A 67 8.136 -2.291 7.408 1.00 0.00 N ATOM 847 CZ ARG A 67 8.416 -1.178 8.027 1.00 0.00 C ATOM 848 NH1 ARG A 67 7.528 -0.619 8.804 1.00 0.00 N ATOM 849 NH2 ARG A 67 9.587 -0.621 7.868 1.00 0.00 N ATOM 0 H ARG A 67 7.455 -5.198 4.197 1.00 0.00 H new ATOM 0 HA ARG A 67 7.163 -5.936 7.015 1.00 0.00 H new ATOM 0 HB2 ARG A 67 5.235 -4.695 4.975 1.00 0.00 H new ATOM 0 HB3 ARG A 67 5.159 -4.513 6.717 1.00 0.00 H new ATOM 0 HG2 ARG A 67 7.808 -3.768 5.612 1.00 0.00 H new ATOM 0 HG3 ARG A 67 6.508 -2.795 4.951 1.00 0.00 H new ATOM 0 HD2 ARG A 67 6.111 -1.738 6.982 1.00 0.00 H new ATOM 0 HD3 ARG A 67 6.272 -3.224 7.897 1.00 0.00 H new ATOM 0 HE ARG A 67 8.886 -2.926 7.137 1.00 0.00 H new ATOM 0 HH11 ARG A 67 6.613 -1.053 8.928 1.00 0.00 H new ATOM 0 HH12 ARG A 67 7.749 0.252 9.287 1.00 0.00 H new ATOM 0 HH21 ARG A 67 10.281 -1.057 7.260 1.00 0.00 H new ATOM 0 HH22 ARG A 67 9.808 0.250 8.352 1.00 0.00 H new ATOM 861 N ILE A 68 5.765 -7.800 4.827 1.00 0.00 N ATOM 862 CA ILE A 68 4.928 -9.021 4.666 1.00 0.00 C ATOM 863 C ILE A 68 5.756 -10.261 4.998 1.00 0.00 C ATOM 864 O ILE A 68 5.302 -11.378 4.863 1.00 0.00 O ATOM 865 CB ILE A 68 4.509 -9.027 3.190 1.00 0.00 C ATOM 866 CG1 ILE A 68 3.650 -7.789 2.860 1.00 0.00 C ATOM 867 CG2 ILE A 68 3.699 -10.290 2.895 1.00 0.00 C ATOM 868 CD1 ILE A 68 2.946 -7.260 4.116 1.00 0.00 C ATOM 0 H ILE A 68 6.309 -7.537 4.005 1.00 0.00 H new ATOM 0 HA ILE A 68 4.063 -9.025 5.329 1.00 0.00 H new ATOM 0 HB ILE A 68 5.409 -9.005 2.576 1.00 0.00 H new ATOM 0 HG12 ILE A 68 4.280 -7.007 2.435 1.00 0.00 H new ATOM 0 HG13 ILE A 68 2.908 -8.047 2.104 1.00 0.00 H new ATOM 0 HG21 ILE A 68 3.401 -10.295 1.846 1.00 0.00 H new ATOM 0 HG22 ILE A 68 4.308 -11.170 3.103 1.00 0.00 H new ATOM 0 HG23 ILE A 68 2.810 -10.307 3.525 1.00 0.00 H new ATOM 0 HD11 ILE A 68 2.347 -6.387 3.857 1.00 0.00 H new ATOM 0 HD12 ILE A 68 2.299 -8.036 4.525 1.00 0.00 H new ATOM 0 HD13 ILE A 68 3.691 -6.980 4.860 1.00 0.00 H new ATOM 880 N HIS A 69 6.972 -10.071 5.434 1.00 0.00 N ATOM 881 CA HIS A 69 7.832 -11.235 5.784 1.00 0.00 C ATOM 882 C HIS A 69 7.901 -12.218 4.618 1.00 0.00 C ATOM 883 O HIS A 69 8.002 -13.414 4.805 1.00 0.00 O ATOM 884 CB HIS A 69 7.159 -11.877 6.995 1.00 0.00 C ATOM 885 CG HIS A 69 8.203 -12.502 7.879 1.00 0.00 C ATOM 886 ND1 HIS A 69 9.382 -11.850 8.206 1.00 0.00 N ATOM 887 CD2 HIS A 69 8.259 -13.718 8.513 1.00 0.00 C ATOM 888 CE1 HIS A 69 10.090 -12.669 9.005 1.00 0.00 C ATOM 889 NE2 HIS A 69 9.451 -13.821 9.224 1.00 0.00 N ATOM 0 H HIS A 69 7.407 -9.157 5.563 1.00 0.00 H new ATOM 0 HA HIS A 69 8.858 -10.937 6.001 1.00 0.00 H new ATOM 0 HB2 HIS A 69 6.598 -11.127 7.552 1.00 0.00 H new ATOM 0 HB3 HIS A 69 6.444 -12.633 6.669 1.00 0.00 H new ATOM 0 HD2 HIS A 69 7.494 -14.479 8.467 1.00 0.00 H new ATOM 0 HE1 HIS A 69 11.057 -12.425 9.419 1.00 0.00 H new ATOM 0 HE2 HIS A 69 9.768 -14.607 9.791 1.00 0.00 H new ATOM 897 N LEU A 70 7.864 -11.723 3.415 1.00 0.00 N ATOM 898 CA LEU A 70 7.948 -12.633 2.240 1.00 0.00 C ATOM 899 C LEU A 70 9.342 -12.532 1.615 1.00 0.00 C ATOM 900 O LEU A 70 10.041 -11.556 1.796 1.00 0.00 O ATOM 901 CB LEU A 70 6.843 -12.181 1.268 1.00 0.00 C ATOM 902 CG LEU A 70 6.904 -10.668 0.996 1.00 0.00 C ATOM 903 CD1 LEU A 70 8.244 -10.291 0.361 1.00 0.00 C ATOM 904 CD2 LEU A 70 5.776 -10.294 0.032 1.00 0.00 C ATOM 0 H LEU A 70 7.780 -10.731 3.194 1.00 0.00 H new ATOM 0 HA LEU A 70 7.801 -13.679 2.510 1.00 0.00 H new ATOM 0 HB2 LEU A 70 6.942 -12.723 0.328 1.00 0.00 H new ATOM 0 HB3 LEU A 70 5.868 -12.437 1.682 1.00 0.00 H new ATOM 0 HG LEU A 70 6.796 -10.133 1.939 1.00 0.00 H new ATOM 0 HD11 LEU A 70 8.269 -9.217 0.176 1.00 0.00 H new ATOM 0 HD12 LEU A 70 9.056 -10.562 1.036 1.00 0.00 H new ATOM 0 HD13 LEU A 70 8.363 -10.825 -0.582 1.00 0.00 H new ATOM 0 HD21 LEU A 70 5.809 -9.223 -0.169 1.00 0.00 H new ATOM 0 HD22 LEU A 70 5.899 -10.842 -0.902 1.00 0.00 H new ATOM 0 HD23 LEU A 70 4.815 -10.550 0.479 1.00 0.00 H new ATOM 916 N ARG A 71 9.771 -13.540 0.904 1.00 0.00 N ATOM 917 CA ARG A 71 11.139 -13.484 0.308 1.00 0.00 C ATOM 918 C ARG A 71 11.326 -14.571 -0.757 1.00 0.00 C ATOM 919 O ARG A 71 10.390 -15.224 -1.169 1.00 0.00 O ATOM 920 CB ARG A 71 12.072 -13.737 1.496 1.00 0.00 C ATOM 921 CG ARG A 71 12.059 -15.230 1.848 1.00 0.00 C ATOM 922 CD ARG A 71 13.163 -15.529 2.865 1.00 0.00 C ATOM 923 NE ARG A 71 13.309 -17.011 2.843 1.00 0.00 N ATOM 924 CZ ARG A 71 14.488 -17.552 2.972 1.00 0.00 C ATOM 925 NH1 ARG A 71 15.451 -17.225 2.154 1.00 0.00 N ATOM 926 NH2 ARG A 71 14.705 -18.423 3.920 1.00 0.00 N ATOM 0 H ARG A 71 9.242 -14.390 0.711 1.00 0.00 H new ATOM 0 HA ARG A 71 11.332 -12.535 -0.192 1.00 0.00 H new ATOM 0 HB2 ARG A 71 13.085 -13.419 1.250 1.00 0.00 H new ATOM 0 HB3 ARG A 71 11.752 -13.147 2.355 1.00 0.00 H new ATOM 0 HG2 ARG A 71 11.088 -15.509 2.258 1.00 0.00 H new ATOM 0 HG3 ARG A 71 12.208 -15.827 0.948 1.00 0.00 H new ATOM 0 HD2 ARG A 71 14.096 -15.035 2.593 1.00 0.00 H new ATOM 0 HD3 ARG A 71 12.892 -15.173 3.859 1.00 0.00 H new ATOM 0 HE ARG A 71 12.486 -17.603 2.727 1.00 0.00 H new ATOM 0 HH11 ARG A 71 15.282 -16.545 1.413 1.00 0.00 H new ATOM 0 HH12 ARG A 71 16.373 -17.649 2.256 1.00 0.00 H new ATOM 0 HH21 ARG A 71 13.952 -18.680 4.559 1.00 0.00 H new ATOM 0 HH22 ARG A 71 15.627 -18.847 4.022 1.00 0.00 H new ATOM 938 N ALA A 72 12.545 -14.781 -1.182 1.00 0.00 N ATOM 939 CA ALA A 72 12.823 -15.835 -2.198 1.00 0.00 C ATOM 940 C ALA A 72 11.954 -15.640 -3.440 1.00 0.00 C ATOM 941 O ALA A 72 12.340 -14.976 -4.381 1.00 0.00 O ATOM 942 CB ALA A 72 12.481 -17.153 -1.502 1.00 0.00 C ATOM 0 H ALA A 72 13.364 -14.263 -0.865 1.00 0.00 H new ATOM 0 HA ALA A 72 13.857 -15.807 -2.541 1.00 0.00 H new ATOM 0 HB1 ALA A 72 12.659 -17.983 -2.186 1.00 0.00 H new ATOM 0 HB2 ALA A 72 13.107 -17.271 -0.618 1.00 0.00 H new ATOM 0 HB3 ALA A 72 11.432 -17.146 -1.205 1.00 0.00 H new ATOM 948 N GLU A 73 10.791 -16.226 -3.461 1.00 0.00 N ATOM 949 CA GLU A 73 9.915 -16.084 -4.657 1.00 0.00 C ATOM 950 C GLU A 73 8.436 -16.211 -4.276 1.00 0.00 C ATOM 951 O GLU A 73 7.605 -16.552 -5.095 1.00 0.00 O ATOM 952 CB GLU A 73 10.348 -17.226 -5.577 1.00 0.00 C ATOM 953 CG GLU A 73 9.648 -18.528 -5.172 1.00 0.00 C ATOM 954 CD GLU A 73 10.412 -19.721 -5.751 1.00 0.00 C ATOM 955 OE1 GLU A 73 10.329 -19.924 -6.951 1.00 0.00 O ATOM 956 OE2 GLU A 73 11.066 -20.408 -4.986 1.00 0.00 O ATOM 0 H GLU A 73 10.410 -16.795 -2.705 1.00 0.00 H new ATOM 0 HA GLU A 73 10.014 -15.108 -5.132 1.00 0.00 H new ATOM 0 HB2 GLU A 73 10.106 -16.981 -6.611 1.00 0.00 H new ATOM 0 HB3 GLU A 73 11.429 -17.355 -5.525 1.00 0.00 H new ATOM 0 HG2 GLU A 73 9.601 -18.605 -4.086 1.00 0.00 H new ATOM 0 HG3 GLU A 73 8.621 -18.529 -5.536 1.00 0.00 H new ATOM 963 N ASP A 74 8.097 -15.940 -3.047 1.00 0.00 N ATOM 964 CA ASP A 74 6.671 -16.047 -2.636 1.00 0.00 C ATOM 965 C ASP A 74 5.787 -15.328 -3.645 1.00 0.00 C ATOM 966 O ASP A 74 6.250 -14.722 -4.591 1.00 0.00 O ATOM 967 CB ASP A 74 6.601 -15.389 -1.247 1.00 0.00 C ATOM 968 CG ASP A 74 5.289 -14.620 -1.052 1.00 0.00 C ATOM 969 OD1 ASP A 74 5.129 -13.588 -1.684 1.00 0.00 O ATOM 970 OD2 ASP A 74 4.468 -15.077 -0.274 1.00 0.00 O ATOM 0 H ASP A 74 8.743 -15.650 -2.313 1.00 0.00 H new ATOM 0 HA ASP A 74 6.319 -17.078 -2.597 1.00 0.00 H new ATOM 0 HB2 ASP A 74 6.693 -16.154 -0.476 1.00 0.00 H new ATOM 0 HB3 ASP A 74 7.444 -14.709 -1.123 1.00 0.00 H new ATOM 975 N ALA A 75 4.519 -15.400 -3.432 1.00 0.00 N ATOM 976 CA ALA A 75 3.560 -14.731 -4.354 1.00 0.00 C ATOM 977 C ALA A 75 3.000 -13.467 -3.703 1.00 0.00 C ATOM 978 O ALA A 75 2.724 -13.436 -2.520 1.00 0.00 O ATOM 979 CB ALA A 75 2.448 -15.753 -4.584 1.00 0.00 C ATOM 0 H ALA A 75 4.091 -15.898 -2.651 1.00 0.00 H new ATOM 0 HA ALA A 75 4.031 -14.427 -5.289 1.00 0.00 H new ATOM 0 HB1 ALA A 75 1.700 -15.332 -5.256 1.00 0.00 H new ATOM 0 HB2 ALA A 75 2.869 -16.655 -5.029 1.00 0.00 H new ATOM 0 HB3 ALA A 75 1.980 -16.003 -3.632 1.00 0.00 H new ATOM 985 N LEU A 76 2.826 -12.423 -4.465 1.00 0.00 N ATOM 986 CA LEU A 76 2.279 -11.164 -3.884 1.00 0.00 C ATOM 987 C LEU A 76 1.592 -10.333 -4.963 1.00 0.00 C ATOM 988 O LEU A 76 1.919 -10.410 -6.131 1.00 0.00 O ATOM 989 CB LEU A 76 3.487 -10.412 -3.332 1.00 0.00 C ATOM 990 CG LEU A 76 3.065 -8.999 -2.929 1.00 0.00 C ATOM 991 CD1 LEU A 76 2.203 -9.063 -1.667 1.00 0.00 C ATOM 992 CD2 LEU A 76 4.311 -8.153 -2.650 1.00 0.00 C ATOM 0 H LEU A 76 3.038 -12.386 -5.462 1.00 0.00 H new ATOM 0 HA LEU A 76 1.536 -11.366 -3.112 1.00 0.00 H new ATOM 0 HB2 LEU A 76 3.896 -10.941 -2.471 1.00 0.00 H new ATOM 0 HB3 LEU A 76 4.276 -10.368 -4.083 1.00 0.00 H new ATOM 0 HG LEU A 76 2.492 -8.548 -3.739 1.00 0.00 H new ATOM 0 HD11 LEU A 76 1.902 -8.055 -1.380 1.00 0.00 H new ATOM 0 HD12 LEU A 76 1.315 -9.665 -1.863 1.00 0.00 H new ATOM 0 HD13 LEU A 76 2.776 -9.515 -0.857 1.00 0.00 H new ATOM 0 HD21 LEU A 76 4.010 -7.146 -2.363 1.00 0.00 H new ATOM 0 HD22 LEU A 76 4.884 -8.605 -1.841 1.00 0.00 H new ATOM 0 HD23 LEU A 76 4.927 -8.105 -3.548 1.00 0.00 H new ATOM 1004 N PHE A 77 0.643 -9.535 -4.572 1.00 0.00 N ATOM 1005 CA PHE A 77 -0.082 -8.682 -5.551 1.00 0.00 C ATOM 1006 C PHE A 77 -0.729 -7.499 -4.828 1.00 0.00 C ATOM 1007 O PHE A 77 -1.531 -7.672 -3.932 1.00 0.00 O ATOM 1008 CB PHE A 77 -1.153 -9.590 -6.150 1.00 0.00 C ATOM 1009 CG PHE A 77 -0.497 -10.714 -6.914 1.00 0.00 C ATOM 1010 CD1 PHE A 77 -0.004 -10.491 -8.205 1.00 0.00 C ATOM 1011 CD2 PHE A 77 -0.378 -11.981 -6.329 1.00 0.00 C ATOM 1012 CE1 PHE A 77 0.606 -11.534 -8.912 1.00 0.00 C ATOM 1013 CE2 PHE A 77 0.232 -13.023 -7.036 1.00 0.00 C ATOM 1014 CZ PHE A 77 0.725 -12.800 -8.327 1.00 0.00 C ATOM 0 H PHE A 77 0.334 -9.436 -3.605 1.00 0.00 H new ATOM 0 HA PHE A 77 0.578 -8.273 -6.316 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -1.784 -9.995 -5.359 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -1.801 -9.016 -6.813 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -0.094 -9.514 -8.656 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -0.757 -12.154 -5.333 1.00 0.00 H new ATOM 0 HE1 PHE A 77 0.985 -11.362 -9.909 1.00 0.00 H new ATOM 0 HE2 PHE A 77 0.323 -14.000 -6.585 1.00 0.00 H new ATOM 0 HZ PHE A 77 1.197 -13.604 -8.871 1.00 0.00 H new ATOM 1024 N PHE A 78 -0.385 -6.299 -5.202 1.00 0.00 N ATOM 1025 CA PHE A 78 -0.980 -5.112 -4.524 1.00 0.00 C ATOM 1026 C PHE A 78 -2.233 -4.642 -5.268 1.00 0.00 C ATOM 1027 O PHE A 78 -2.194 -4.330 -6.441 1.00 0.00 O ATOM 1028 CB PHE A 78 0.107 -4.040 -4.572 1.00 0.00 C ATOM 1029 CG PHE A 78 1.227 -4.413 -3.630 1.00 0.00 C ATOM 1030 CD1 PHE A 78 1.069 -4.241 -2.249 1.00 0.00 C ATOM 1031 CD2 PHE A 78 2.425 -4.926 -4.136 1.00 0.00 C ATOM 1032 CE1 PHE A 78 2.114 -4.582 -1.379 1.00 0.00 C ATOM 1033 CE2 PHE A 78 3.465 -5.267 -3.264 1.00 0.00 C ATOM 1034 CZ PHE A 78 3.309 -5.094 -1.889 1.00 0.00 C ATOM 0 H PHE A 78 0.280 -6.088 -5.946 1.00 0.00 H new ATOM 0 HA PHE A 78 -1.287 -5.335 -3.502 1.00 0.00 H new ATOM 0 HB2 PHE A 78 0.490 -3.941 -5.588 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -0.310 -3.072 -4.293 1.00 0.00 H new ATOM 0 HD1 PHE A 78 0.144 -3.846 -1.855 1.00 0.00 H new ATOM 0 HD2 PHE A 78 2.548 -5.059 -5.201 1.00 0.00 H new ATOM 0 HE1 PHE A 78 1.995 -4.449 -0.314 1.00 0.00 H new ATOM 0 HE2 PHE A 78 4.389 -5.665 -3.656 1.00 0.00 H new ATOM 0 HZ PHE A 78 4.113 -5.356 -1.218 1.00 0.00 H new ATOM 1044 N PHE A 79 -3.342 -4.583 -4.585 1.00 0.00 N ATOM 1045 CA PHE A 79 -4.603 -4.125 -5.233 1.00 0.00 C ATOM 1046 C PHE A 79 -5.068 -2.819 -4.585 1.00 0.00 C ATOM 1047 O PHE A 79 -5.039 -2.673 -3.382 1.00 0.00 O ATOM 1048 CB PHE A 79 -5.617 -5.239 -4.964 1.00 0.00 C ATOM 1049 CG PHE A 79 -5.062 -6.566 -5.430 1.00 0.00 C ATOM 1050 CD1 PHE A 79 -4.232 -7.321 -4.588 1.00 0.00 C ATOM 1051 CD2 PHE A 79 -5.381 -7.044 -6.707 1.00 0.00 C ATOM 1052 CE1 PHE A 79 -3.728 -8.551 -5.024 1.00 0.00 C ATOM 1053 CE2 PHE A 79 -4.875 -8.274 -7.142 1.00 0.00 C ATOM 1054 CZ PHE A 79 -4.048 -9.028 -6.301 1.00 0.00 C ATOM 0 H PHE A 79 -3.430 -4.834 -3.600 1.00 0.00 H new ATOM 0 HA PHE A 79 -4.479 -3.937 -6.300 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -5.846 -5.285 -3.899 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -6.552 -5.024 -5.482 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -3.982 -6.953 -3.604 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -6.018 -6.463 -7.357 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -3.091 -9.134 -4.375 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -5.123 -8.642 -8.127 1.00 0.00 H new ATOM 0 HZ PHE A 79 -3.657 -9.977 -6.637 1.00 0.00 H new ATOM 1064 N VAL A 80 -5.497 -1.867 -5.366 1.00 0.00 N ATOM 1065 CA VAL A 80 -5.958 -0.579 -4.773 1.00 0.00 C ATOM 1066 C VAL A 80 -7.423 -0.320 -5.130 1.00 0.00 C ATOM 1067 O VAL A 80 -7.786 -0.253 -6.286 1.00 0.00 O ATOM 1068 CB VAL A 80 -5.059 0.493 -5.387 1.00 0.00 C ATOM 1069 CG1 VAL A 80 -5.258 1.812 -4.637 1.00 0.00 C ATOM 1070 CG2 VAL A 80 -3.596 0.059 -5.273 1.00 0.00 C ATOM 0 H VAL A 80 -5.549 -1.923 -6.383 1.00 0.00 H new ATOM 0 HA VAL A 80 -5.895 -0.586 -3.685 1.00 0.00 H new ATOM 0 HB VAL A 80 -5.317 0.627 -6.437 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -4.618 2.579 -5.073 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -6.300 2.122 -4.716 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -4.998 1.676 -3.587 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -2.954 0.824 -5.711 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -3.337 -0.074 -4.223 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -3.453 -0.882 -5.804 1.00 0.00 H new ATOM 1080 N ASN A 81 -8.263 -0.170 -4.144 1.00 0.00 N ATOM 1081 CA ASN A 81 -9.706 0.088 -4.422 1.00 0.00 C ATOM 1082 C ASN A 81 -10.249 -0.920 -5.442 1.00 0.00 C ATOM 1083 O ASN A 81 -10.899 -0.557 -6.402 1.00 0.00 O ATOM 1084 CB ASN A 81 -9.750 1.506 -4.995 1.00 0.00 C ATOM 1085 CG ASN A 81 -10.517 2.419 -4.037 1.00 0.00 C ATOM 1086 OD1 ASN A 81 -10.130 3.550 -3.818 1.00 0.00 O ATOM 1087 ND2 ASN A 81 -11.596 1.975 -3.454 1.00 0.00 N ATOM 0 H ASN A 81 -8.013 -0.215 -3.156 1.00 0.00 H new ATOM 0 HA ASN A 81 -10.319 -0.013 -3.526 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -8.738 1.882 -5.141 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -10.232 1.500 -5.973 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -12.115 2.577 -2.815 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -11.921 1.026 -3.638 1.00 0.00 H new ATOM 1094 N ASN A 82 -9.994 -2.184 -5.237 1.00 0.00 N ATOM 1095 CA ASN A 82 -10.502 -3.215 -6.191 1.00 0.00 C ATOM 1096 C ASN A 82 -9.901 -3.002 -7.583 1.00 0.00 C ATOM 1097 O ASN A 82 -10.506 -3.327 -8.586 1.00 0.00 O ATOM 1098 CB ASN A 82 -12.016 -3.010 -6.226 1.00 0.00 C ATOM 1099 CG ASN A 82 -12.703 -4.340 -6.543 1.00 0.00 C ATOM 1100 OD1 ASN A 82 -13.345 -4.477 -7.567 1.00 0.00 O ATOM 1101 ND2 ASN A 82 -12.593 -5.333 -5.705 1.00 0.00 N ATOM 0 H ASN A 82 -9.456 -2.549 -4.451 1.00 0.00 H new ATOM 0 HA ASN A 82 -10.231 -4.225 -5.883 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -12.364 -2.628 -5.266 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -12.276 -2.266 -6.979 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -13.045 -6.224 -5.908 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -12.055 -5.218 -4.846 1.00 0.00 H new ATOM 1108 N VAL A 83 -8.716 -2.462 -7.655 1.00 0.00 N ATOM 1109 CA VAL A 83 -8.077 -2.233 -8.984 1.00 0.00 C ATOM 1110 C VAL A 83 -6.688 -2.880 -9.007 1.00 0.00 C ATOM 1111 O VAL A 83 -6.167 -3.277 -7.984 1.00 0.00 O ATOM 1112 CB VAL A 83 -7.966 -0.711 -9.128 1.00 0.00 C ATOM 1113 CG1 VAL A 83 -7.769 -0.344 -10.601 1.00 0.00 C ATOM 1114 CG2 VAL A 83 -9.247 -0.043 -8.617 1.00 0.00 C ATOM 0 H VAL A 83 -8.161 -2.169 -6.851 1.00 0.00 H new ATOM 0 HA VAL A 83 -8.652 -2.669 -9.801 1.00 0.00 H new ATOM 0 HB VAL A 83 -7.114 -0.364 -8.543 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -7.691 0.739 -10.699 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -6.856 -0.809 -10.973 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -8.620 -0.700 -11.182 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -9.160 1.038 -8.723 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -10.099 -0.397 -9.198 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -9.394 -0.294 -7.567 1.00 0.00 H new ATOM 1124 N ILE A 84 -6.083 -2.974 -10.162 1.00 0.00 N ATOM 1125 CA ILE A 84 -4.730 -3.598 -10.260 1.00 0.00 C ATOM 1126 C ILE A 84 -3.996 -3.051 -11.486 1.00 0.00 C ATOM 1127 O ILE A 84 -3.757 -3.767 -12.439 1.00 0.00 O ATOM 1128 CB ILE A 84 -4.973 -5.100 -10.464 1.00 0.00 C ATOM 1129 CG1 ILE A 84 -6.160 -5.593 -9.627 1.00 0.00 C ATOM 1130 CG2 ILE A 84 -3.719 -5.874 -10.055 1.00 0.00 C ATOM 1131 CD1 ILE A 84 -7.473 -5.237 -10.329 1.00 0.00 C ATOM 0 H ILE A 84 -6.470 -2.644 -11.046 1.00 0.00 H new ATOM 0 HA ILE A 84 -4.132 -3.391 -9.372 1.00 0.00 H new ATOM 0 HB ILE A 84 -5.200 -5.268 -11.517 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -6.094 -6.672 -9.485 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -6.132 -5.139 -8.636 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -3.887 -6.941 -10.198 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -2.877 -5.554 -10.669 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -3.497 -5.679 -9.006 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -8.313 -5.589 -9.730 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -7.541 -4.156 -10.448 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -7.502 -5.712 -11.310 1.00 0.00 H new ATOM 1143 N PRO A 85 -3.659 -1.793 -11.416 1.00 0.00 N ATOM 1144 CA PRO A 85 -2.940 -1.131 -12.532 1.00 0.00 C ATOM 1145 C PRO A 85 -1.477 -1.584 -12.566 1.00 0.00 C ATOM 1146 O PRO A 85 -0.998 -2.204 -11.638 1.00 0.00 O ATOM 1147 CB PRO A 85 -3.043 0.352 -12.191 1.00 0.00 C ATOM 1148 CG PRO A 85 -3.227 0.401 -10.708 1.00 0.00 C ATOM 1149 CD PRO A 85 -3.918 -0.877 -10.300 1.00 0.00 C ATOM 0 HA PRO A 85 -3.354 -1.368 -13.512 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -2.144 0.889 -12.494 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -3.882 0.818 -12.708 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -2.265 0.496 -10.204 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -3.823 1.268 -10.423 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -3.518 -1.266 -9.364 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -4.987 -0.723 -10.150 1.00 0.00 H new ATOM 1157 N PRO A 86 -0.818 -1.256 -13.643 1.00 0.00 N ATOM 1158 CA PRO A 86 0.609 -1.631 -13.809 1.00 0.00 C ATOM 1159 C PRO A 86 1.492 -0.773 -12.901 1.00 0.00 C ATOM 1160 O PRO A 86 1.014 0.073 -12.171 1.00 0.00 O ATOM 1161 CB PRO A 86 0.887 -1.333 -15.280 1.00 0.00 C ATOM 1162 CG PRO A 86 -0.116 -0.292 -15.662 1.00 0.00 C ATOM 1163 CD PRO A 86 -1.332 -0.511 -14.798 1.00 0.00 C ATOM 0 HA PRO A 86 0.816 -2.668 -13.543 1.00 0.00 H new ATOM 0 HB2 PRO A 86 1.905 -0.971 -15.423 1.00 0.00 H new ATOM 0 HB3 PRO A 86 0.778 -2.229 -15.891 1.00 0.00 H new ATOM 0 HG2 PRO A 86 0.290 0.708 -15.510 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -0.374 -0.374 -16.718 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -1.782 0.435 -14.495 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -2.101 -1.075 -15.326 1.00 0.00 H new ATOM 1171 N THR A 87 2.777 -0.986 -12.941 1.00 0.00 N ATOM 1172 CA THR A 87 3.692 -0.180 -12.077 1.00 0.00 C ATOM 1173 C THR A 87 4.088 1.118 -12.780 1.00 0.00 C ATOM 1174 O THR A 87 5.076 1.744 -12.450 1.00 0.00 O ATOM 1175 CB THR A 87 4.924 -1.055 -11.849 1.00 0.00 C ATOM 1176 OG1 THR A 87 5.100 -1.933 -12.952 1.00 0.00 O ATOM 1177 CG2 THR A 87 4.749 -1.869 -10.566 1.00 0.00 C ATOM 0 H THR A 87 3.235 -1.680 -13.531 1.00 0.00 H new ATOM 0 HA THR A 87 3.213 0.097 -11.138 1.00 0.00 H new ATOM 0 HB THR A 87 5.803 -0.418 -11.753 1.00 0.00 H new ATOM 0 HG1 THR A 87 5.892 -2.491 -12.803 1.00 0.00 H new ATOM 0 HG21 THR A 87 5.630 -2.492 -10.407 1.00 0.00 H new ATOM 0 HG22 THR A 87 4.625 -1.193 -9.720 1.00 0.00 H new ATOM 0 HG23 THR A 87 3.867 -2.504 -10.655 1.00 0.00 H new ATOM 1185 N SER A 88 3.317 1.527 -13.741 1.00 0.00 N ATOM 1186 CA SER A 88 3.625 2.787 -14.474 1.00 0.00 C ATOM 1187 C SER A 88 2.921 3.959 -13.788 1.00 0.00 C ATOM 1188 O SER A 88 2.403 4.850 -14.429 1.00 0.00 O ATOM 1189 CB SER A 88 3.072 2.578 -15.882 1.00 0.00 C ATOM 1190 OG SER A 88 3.546 3.614 -16.732 1.00 0.00 O ATOM 0 H SER A 88 2.478 1.040 -14.056 1.00 0.00 H new ATOM 0 HA SER A 88 4.692 3.011 -14.493 1.00 0.00 H new ATOM 0 HB2 SER A 88 3.382 1.606 -16.266 1.00 0.00 H new ATOM 0 HB3 SER A 88 1.982 2.579 -15.861 1.00 0.00 H new ATOM 0 HG SER A 88 3.251 4.482 -16.385 1.00 0.00 H new ATOM 1196 N ALA A 89 2.897 3.953 -12.485 1.00 0.00 N ATOM 1197 CA ALA A 89 2.223 5.053 -11.741 1.00 0.00 C ATOM 1198 C ALA A 89 2.970 5.342 -10.443 1.00 0.00 C ATOM 1199 O ALA A 89 3.996 4.756 -10.157 1.00 0.00 O ATOM 1200 CB ALA A 89 0.820 4.525 -11.443 1.00 0.00 C ATOM 0 H ALA A 89 3.317 3.230 -11.901 1.00 0.00 H new ATOM 0 HA ALA A 89 2.198 5.983 -12.309 1.00 0.00 H new ATOM 0 HB1 ALA A 89 0.256 5.279 -10.894 1.00 0.00 H new ATOM 0 HB2 ALA A 89 0.309 4.300 -12.379 1.00 0.00 H new ATOM 0 HB3 ALA A 89 0.892 3.618 -10.843 1.00 0.00 H new ATOM 1206 N THR A 90 2.465 6.245 -9.660 1.00 0.00 N ATOM 1207 CA THR A 90 3.144 6.584 -8.379 1.00 0.00 C ATOM 1208 C THR A 90 2.113 6.796 -7.269 1.00 0.00 C ATOM 1209 O THR A 90 1.038 7.309 -7.497 1.00 0.00 O ATOM 1210 CB THR A 90 3.899 7.883 -8.665 1.00 0.00 C ATOM 1211 OG1 THR A 90 2.972 8.897 -9.027 1.00 0.00 O ATOM 1212 CG2 THR A 90 4.888 7.661 -9.810 1.00 0.00 C ATOM 0 H THR A 90 1.609 6.767 -9.849 1.00 0.00 H new ATOM 0 HA THR A 90 3.809 5.789 -8.043 1.00 0.00 H new ATOM 0 HB THR A 90 4.445 8.190 -7.773 1.00 0.00 H new ATOM 0 HG1 THR A 90 2.971 9.599 -8.343 1.00 0.00 H new ATOM 0 HG21 THR A 90 5.425 8.588 -10.012 1.00 0.00 H new ATOM 0 HG22 THR A 90 5.599 6.883 -9.531 1.00 0.00 H new ATOM 0 HG23 THR A 90 4.346 7.353 -10.704 1.00 0.00 H new ATOM 1220 N MET A 91 2.435 6.404 -6.067 1.00 0.00 N ATOM 1221 CA MET A 91 1.470 6.586 -4.943 1.00 0.00 C ATOM 1222 C MET A 91 0.848 7.983 -5.024 1.00 0.00 C ATOM 1223 O MET A 91 -0.326 8.172 -4.771 1.00 0.00 O ATOM 1224 CB MET A 91 2.300 6.444 -3.662 1.00 0.00 C ATOM 1225 CG MET A 91 2.701 4.978 -3.448 1.00 0.00 C ATOM 1226 SD MET A 91 1.223 3.933 -3.432 1.00 0.00 S ATOM 1227 CE MET A 91 1.036 3.835 -1.635 1.00 0.00 C ATOM 0 H MET A 91 3.321 5.967 -5.814 1.00 0.00 H new ATOM 0 HA MET A 91 0.657 5.861 -4.974 1.00 0.00 H new ATOM 0 HB2 MET A 91 3.192 7.067 -3.728 1.00 0.00 H new ATOM 0 HB3 MET A 91 1.725 6.800 -2.807 1.00 0.00 H new ATOM 0 HG2 MET A 91 3.376 4.657 -4.241 1.00 0.00 H new ATOM 0 HG3 MET A 91 3.242 4.873 -2.507 1.00 0.00 H new ATOM 0 HE1 MET A 91 0.495 2.925 -1.375 1.00 0.00 H new ATOM 0 HE2 MET A 91 2.020 3.818 -1.167 1.00 0.00 H new ATOM 0 HE3 MET A 91 0.480 4.702 -1.279 1.00 0.00 H new ATOM 1237 N GLY A 92 1.634 8.963 -5.374 1.00 0.00 N ATOM 1238 CA GLY A 92 1.105 10.354 -5.471 1.00 0.00 C ATOM 1239 C GLY A 92 -0.091 10.403 -6.422 1.00 0.00 C ATOM 1240 O GLY A 92 -1.118 10.971 -6.110 1.00 0.00 O ATOM 0 H GLY A 92 2.624 8.861 -5.598 1.00 0.00 H new ATOM 0 HA2 GLY A 92 0.807 10.707 -4.483 1.00 0.00 H new ATOM 0 HA3 GLY A 92 1.888 11.024 -5.826 1.00 0.00 H new ATOM 1244 N GLN A 93 0.034 9.824 -7.581 1.00 0.00 N ATOM 1245 CA GLN A 93 -1.101 9.854 -8.548 1.00 0.00 C ATOM 1246 C GLN A 93 -2.295 9.087 -7.973 1.00 0.00 C ATOM 1247 O GLN A 93 -3.437 9.400 -8.249 1.00 0.00 O ATOM 1248 CB GLN A 93 -0.560 9.195 -9.830 1.00 0.00 C ATOM 1249 CG GLN A 93 -0.875 7.691 -9.850 1.00 0.00 C ATOM 1250 CD GLN A 93 -0.501 7.109 -11.213 1.00 0.00 C ATOM 1251 OE1 GLN A 93 -1.164 6.221 -11.711 1.00 0.00 O ATOM 1252 NE2 GLN A 93 0.543 7.575 -11.844 1.00 0.00 N ATOM 0 H GLN A 93 0.868 9.333 -7.902 1.00 0.00 H new ATOM 0 HA GLN A 93 -1.455 10.865 -8.752 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -1.001 9.674 -10.704 1.00 0.00 H new ATOM 0 HB3 GLN A 93 0.518 9.346 -9.894 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -0.321 7.182 -9.061 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -1.934 7.528 -9.652 1.00 0.00 H new ATOM 0 HE21 GLN A 93 1.100 8.321 -11.427 1.00 0.00 H new ATOM 0 HE22 GLN A 93 0.801 7.194 -12.754 1.00 0.00 H new ATOM 1261 N LEU A 94 -2.042 8.089 -7.172 1.00 0.00 N ATOM 1262 CA LEU A 94 -3.164 7.315 -6.581 1.00 0.00 C ATOM 1263 C LEU A 94 -3.929 8.189 -5.585 1.00 0.00 C ATOM 1264 O LEU A 94 -5.103 7.998 -5.350 1.00 0.00 O ATOM 1265 CB LEU A 94 -2.496 6.108 -5.902 1.00 0.00 C ATOM 1266 CG LEU A 94 -2.475 6.258 -4.375 1.00 0.00 C ATOM 1267 CD1 LEU A 94 -3.780 5.717 -3.791 1.00 0.00 C ATOM 1268 CD2 LEU A 94 -1.297 5.469 -3.808 1.00 0.00 C ATOM 0 H LEU A 94 -1.108 7.778 -6.903 1.00 0.00 H new ATOM 0 HA LEU A 94 -3.897 6.989 -7.319 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -3.030 5.197 -6.171 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -1.476 6.000 -6.272 1.00 0.00 H new ATOM 0 HG LEU A 94 -2.371 7.311 -4.112 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -3.765 5.824 -2.706 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -4.621 6.277 -4.199 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -3.886 4.664 -4.051 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -1.278 5.573 -2.723 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -1.404 4.416 -4.070 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -0.367 5.854 -4.226 1.00 0.00 H new ATOM 1280 N TYR A 95 -3.274 9.148 -4.994 1.00 0.00 N ATOM 1281 CA TYR A 95 -3.984 10.015 -4.020 1.00 0.00 C ATOM 1282 C TYR A 95 -5.282 10.532 -4.645 1.00 0.00 C ATOM 1283 O TYR A 95 -6.353 10.359 -4.105 1.00 0.00 O ATOM 1284 CB TYR A 95 -3.017 11.162 -3.727 1.00 0.00 C ATOM 1285 CG TYR A 95 -3.096 11.512 -2.262 1.00 0.00 C ATOM 1286 CD1 TYR A 95 -2.836 10.533 -1.299 1.00 0.00 C ATOM 1287 CD2 TYR A 95 -3.431 12.813 -1.868 1.00 0.00 C ATOM 1288 CE1 TYR A 95 -2.912 10.852 0.062 1.00 0.00 C ATOM 1289 CE2 TYR A 95 -3.506 13.134 -0.507 1.00 0.00 C ATOM 1290 CZ TYR A 95 -3.247 12.153 0.458 1.00 0.00 C ATOM 1291 OH TYR A 95 -3.321 12.469 1.800 1.00 0.00 O ATOM 0 H TYR A 95 -2.289 9.366 -5.142 1.00 0.00 H new ATOM 0 HA TYR A 95 -4.259 9.487 -3.107 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -2.000 10.873 -3.990 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -3.269 12.031 -4.335 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -2.576 9.530 -1.605 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -3.631 13.569 -2.613 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -2.712 10.095 0.806 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -3.763 14.138 -0.202 1.00 0.00 H new ATOM 0 HH TYR A 95 -3.564 13.413 1.901 1.00 0.00 H new ATOM 1301 N GLN A 96 -5.203 11.155 -5.786 1.00 0.00 N ATOM 1302 CA GLN A 96 -6.443 11.666 -6.436 1.00 0.00 C ATOM 1303 C GLN A 96 -7.322 10.501 -6.907 1.00 0.00 C ATOM 1304 O GLN A 96 -8.504 10.660 -7.140 1.00 0.00 O ATOM 1305 CB GLN A 96 -5.950 12.482 -7.631 1.00 0.00 C ATOM 1306 CG GLN A 96 -7.069 13.407 -8.115 1.00 0.00 C ATOM 1307 CD GLN A 96 -6.990 13.551 -9.637 1.00 0.00 C ATOM 1308 OE1 GLN A 96 -6.477 14.529 -10.141 1.00 0.00 O ATOM 1309 NE2 GLN A 96 -7.482 12.609 -10.394 1.00 0.00 N ATOM 0 H GLN A 96 -4.338 11.333 -6.296 1.00 0.00 H new ATOM 0 HA GLN A 96 -7.051 12.261 -5.754 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -5.076 13.069 -7.348 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -5.640 11.816 -8.437 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -8.039 13.003 -7.827 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -6.978 14.384 -7.641 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -7.913 11.787 -9.970 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -7.436 12.694 -11.409 1.00 0.00 H new ATOM 1318 N GLU A 97 -6.750 9.339 -7.075 1.00 0.00 N ATOM 1319 CA GLU A 97 -7.552 8.176 -7.561 1.00 0.00 C ATOM 1320 C GLU A 97 -8.215 7.396 -6.410 1.00 0.00 C ATOM 1321 O GLU A 97 -9.416 7.447 -6.236 1.00 0.00 O ATOM 1322 CB GLU A 97 -6.550 7.293 -8.311 1.00 0.00 C ATOM 1323 CG GLU A 97 -6.553 7.665 -9.795 1.00 0.00 C ATOM 1324 CD GLU A 97 -5.871 6.557 -10.600 1.00 0.00 C ATOM 1325 OE1 GLU A 97 -6.562 5.640 -11.013 1.00 0.00 O ATOM 1326 OE2 GLU A 97 -4.669 6.643 -10.788 1.00 0.00 O ATOM 0 H GLU A 97 -5.765 9.144 -6.898 1.00 0.00 H new ATOM 0 HA GLU A 97 -8.377 8.506 -8.193 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -5.551 7.423 -7.894 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -6.812 6.242 -8.188 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -7.576 7.805 -10.144 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -6.033 8.611 -9.945 1.00 0.00 H new ATOM 1333 N HIS A 98 -7.459 6.637 -5.654 1.00 0.00 N ATOM 1334 CA HIS A 98 -8.068 5.823 -4.566 1.00 0.00 C ATOM 1335 C HIS A 98 -7.895 6.471 -3.185 1.00 0.00 C ATOM 1336 O HIS A 98 -7.699 5.789 -2.193 1.00 0.00 O ATOM 1337 CB HIS A 98 -7.301 4.512 -4.650 1.00 0.00 C ATOM 1338 CG HIS A 98 -7.676 3.805 -5.919 1.00 0.00 C ATOM 1339 ND1 HIS A 98 -8.960 3.841 -6.440 1.00 0.00 N ATOM 1340 CD2 HIS A 98 -6.940 3.045 -6.783 1.00 0.00 C ATOM 1341 CE1 HIS A 98 -8.955 3.119 -7.574 1.00 0.00 C ATOM 1342 NE2 HIS A 98 -7.747 2.609 -7.832 1.00 0.00 N ATOM 0 H HIS A 98 -6.447 6.549 -5.747 1.00 0.00 H new ATOM 0 HA HIS A 98 -9.146 5.711 -4.685 1.00 0.00 H new ATOM 0 HB2 HIS A 98 -6.228 4.702 -4.628 1.00 0.00 H new ATOM 0 HB3 HIS A 98 -7.531 3.886 -3.788 1.00 0.00 H new ATOM 0 HD2 HIS A 98 -5.891 2.816 -6.670 1.00 0.00 H new ATOM 0 HE1 HIS A 98 -9.822 2.969 -8.200 1.00 0.00 H new ATOM 0 HE2 HIS A 98 -7.475 2.027 -8.624 1.00 0.00 H new ATOM 1350 N HIS A 99 -7.980 7.770 -3.102 1.00 0.00 N ATOM 1351 CA HIS A 99 -7.837 8.434 -1.765 1.00 0.00 C ATOM 1352 C HIS A 99 -8.875 7.879 -0.802 1.00 0.00 C ATOM 1353 O HIS A 99 -8.723 7.925 0.402 1.00 0.00 O ATOM 1354 CB HIS A 99 -8.081 9.932 -1.983 1.00 0.00 C ATOM 1355 CG HIS A 99 -9.071 10.187 -3.085 1.00 0.00 C ATOM 1356 ND1 HIS A 99 -10.340 9.630 -3.113 1.00 0.00 N ATOM 1357 CD2 HIS A 99 -8.976 10.956 -4.207 1.00 0.00 C ATOM 1358 CE1 HIS A 99 -10.950 10.071 -4.227 1.00 0.00 C ATOM 1359 NE2 HIS A 99 -10.161 10.885 -4.933 1.00 0.00 N ATOM 0 H HIS A 99 -8.140 8.399 -3.889 1.00 0.00 H new ATOM 0 HA HIS A 99 -6.848 8.255 -1.342 1.00 0.00 H new ATOM 0 HB2 HIS A 99 -8.446 10.378 -1.058 1.00 0.00 H new ATOM 0 HB3 HIS A 99 -7.137 10.422 -2.223 1.00 0.00 H new ATOM 0 HD2 HIS A 99 -8.109 11.535 -4.490 1.00 0.00 H new ATOM 0 HE1 HIS A 99 -11.955 9.800 -4.516 1.00 0.00 H new ATOM 0 HE2 HIS A 99 -10.379 11.353 -5.813 1.00 0.00 H new ATOM 1429 N PHE A 104 -6.922 9.608 3.744 1.00 0.00 N ATOM 1430 CA PHE A 104 -6.123 8.349 3.782 1.00 0.00 C ATOM 1431 C PHE A 104 -6.457 7.485 2.559 1.00 0.00 C ATOM 1432 O PHE A 104 -7.609 7.204 2.297 1.00 0.00 O ATOM 1433 CB PHE A 104 -6.561 7.641 5.065 1.00 0.00 C ATOM 1434 CG PHE A 104 -5.662 8.048 6.208 1.00 0.00 C ATOM 1435 CD1 PHE A 104 -4.296 7.740 6.170 1.00 0.00 C ATOM 1436 CD2 PHE A 104 -6.195 8.733 7.307 1.00 0.00 C ATOM 1437 CE1 PHE A 104 -3.465 8.116 7.232 1.00 0.00 C ATOM 1438 CE2 PHE A 104 -5.363 9.109 8.368 1.00 0.00 C ATOM 1439 CZ PHE A 104 -3.998 8.801 8.331 1.00 0.00 C ATOM 0 HA PHE A 104 -5.049 8.537 3.765 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -7.595 7.895 5.296 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -6.521 6.561 4.926 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -3.884 7.213 5.322 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -7.248 8.971 7.336 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -2.412 7.878 7.204 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -5.774 9.637 9.216 1.00 0.00 H new ATOM 0 HZ PHE A 104 -3.356 9.092 9.150 1.00 0.00 H new ATOM 1449 N LEU A 105 -5.475 7.049 1.811 1.00 0.00 N ATOM 1450 CA LEU A 105 -5.786 6.197 0.618 1.00 0.00 C ATOM 1451 C LEU A 105 -5.920 4.732 1.056 1.00 0.00 C ATOM 1452 O LEU A 105 -5.451 4.353 2.110 1.00 0.00 O ATOM 1453 CB LEU A 105 -4.616 6.395 -0.368 1.00 0.00 C ATOM 1454 CG LEU A 105 -3.509 5.369 -0.101 1.00 0.00 C ATOM 1455 CD1 LEU A 105 -3.687 4.169 -1.034 1.00 0.00 C ATOM 1456 CD2 LEU A 105 -2.148 6.018 -0.358 1.00 0.00 C ATOM 0 H LEU A 105 -4.486 7.241 1.969 1.00 0.00 H new ATOM 0 HA LEU A 105 -6.728 6.473 0.144 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -4.975 6.293 -1.392 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -4.216 7.404 -0.269 1.00 0.00 H new ATOM 0 HG LEU A 105 -3.565 5.032 0.934 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -2.899 3.440 -0.843 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -4.659 3.709 -0.854 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -3.630 4.502 -2.070 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -1.357 5.292 -0.169 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -2.094 6.352 -1.394 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -2.021 6.873 0.306 1.00 0.00 H new ATOM 1468 N TYR A 106 -6.568 3.907 0.275 1.00 0.00 N ATOM 1469 CA TYR A 106 -6.728 2.482 0.694 1.00 0.00 C ATOM 1470 C TYR A 106 -6.003 1.526 -0.262 1.00 0.00 C ATOM 1471 O TYR A 106 -6.296 1.464 -1.440 1.00 0.00 O ATOM 1472 CB TYR A 106 -8.234 2.227 0.655 1.00 0.00 C ATOM 1473 CG TYR A 106 -8.746 2.036 2.062 1.00 0.00 C ATOM 1474 CD1 TYR A 106 -8.420 2.965 3.056 1.00 0.00 C ATOM 1475 CD2 TYR A 106 -9.547 0.930 2.371 1.00 0.00 C ATOM 1476 CE1 TYR A 106 -8.894 2.789 4.362 1.00 0.00 C ATOM 1477 CE2 TYR A 106 -10.020 0.753 3.677 1.00 0.00 C ATOM 1478 CZ TYR A 106 -9.694 1.683 4.673 1.00 0.00 C ATOM 1479 OH TYR A 106 -10.161 1.509 5.959 1.00 0.00 O ATOM 0 H TYR A 106 -6.988 4.153 -0.622 1.00 0.00 H new ATOM 0 HA TYR A 106 -6.297 2.308 1.680 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -8.744 3.066 0.181 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -8.449 1.343 0.055 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -7.803 3.818 2.816 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -9.800 0.214 1.603 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -8.642 3.506 5.129 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -10.636 -0.101 3.917 1.00 0.00 H new ATOM 0 HH TYR A 106 -10.702 0.693 6.003 1.00 0.00 H new ATOM 1489 N ILE A 107 -5.070 0.762 0.250 1.00 0.00 N ATOM 1490 CA ILE A 107 -4.337 -0.214 -0.608 1.00 0.00 C ATOM 1491 C ILE A 107 -4.099 -1.505 0.185 1.00 0.00 C ATOM 1492 O ILE A 107 -3.805 -1.471 1.361 1.00 0.00 O ATOM 1493 CB ILE A 107 -3.009 0.467 -0.959 1.00 0.00 C ATOM 1494 CG1 ILE A 107 -3.224 1.420 -2.137 1.00 0.00 C ATOM 1495 CG2 ILE A 107 -1.971 -0.589 -1.352 1.00 0.00 C ATOM 1496 CD1 ILE A 107 -1.979 2.289 -2.323 1.00 0.00 C ATOM 0 H ILE A 107 -4.785 0.774 1.229 1.00 0.00 H new ATOM 0 HA ILE A 107 -4.890 -0.482 -1.508 1.00 0.00 H new ATOM 0 HB ILE A 107 -2.651 1.022 -0.092 1.00 0.00 H new ATOM 0 HG12 ILE A 107 -3.424 0.853 -3.046 1.00 0.00 H new ATOM 0 HG13 ILE A 107 -4.096 2.049 -1.956 1.00 0.00 H new ATOM 0 HG21 ILE A 107 -1.030 -0.099 -1.600 1.00 0.00 H new ATOM 0 HG22 ILE A 107 -1.815 -1.274 -0.518 1.00 0.00 H new ATOM 0 HG23 ILE A 107 -2.329 -1.147 -2.217 1.00 0.00 H new ATOM 0 HD11 ILE A 107 -2.131 2.968 -3.162 1.00 0.00 H new ATOM 0 HD12 ILE A 107 -1.800 2.867 -1.416 1.00 0.00 H new ATOM 0 HD13 ILE A 107 -1.117 1.652 -2.524 1.00 0.00 H new ATOM 1508 N ALA A 108 -4.224 -2.637 -0.445 1.00 0.00 N ATOM 1509 CA ALA A 108 -4.003 -3.919 0.282 1.00 0.00 C ATOM 1510 C ALA A 108 -3.151 -4.861 -0.562 1.00 0.00 C ATOM 1511 O ALA A 108 -2.788 -4.549 -1.676 1.00 0.00 O ATOM 1512 CB ALA A 108 -5.399 -4.504 0.501 1.00 0.00 C ATOM 0 H ALA A 108 -4.469 -2.732 -1.431 1.00 0.00 H new ATOM 0 HA ALA A 108 -3.476 -3.772 1.225 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -5.317 -5.452 1.032 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -5.997 -3.808 1.090 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -5.880 -4.669 -0.463 1.00 0.00 H new ATOM 1518 N TYR A 109 -2.828 -6.010 -0.044 1.00 0.00 N ATOM 1519 CA TYR A 109 -1.999 -6.961 -0.833 1.00 0.00 C ATOM 1520 C TYR A 109 -2.415 -8.399 -0.550 1.00 0.00 C ATOM 1521 O TYR A 109 -3.113 -8.685 0.402 1.00 0.00 O ATOM 1522 CB TYR A 109 -0.550 -6.725 -0.401 1.00 0.00 C ATOM 1523 CG TYR A 109 -0.465 -6.543 1.098 1.00 0.00 C ATOM 1524 CD1 TYR A 109 -0.955 -5.375 1.695 1.00 0.00 C ATOM 1525 CD2 TYR A 109 0.114 -7.542 1.894 1.00 0.00 C ATOM 1526 CE1 TYR A 109 -0.868 -5.207 3.081 1.00 0.00 C ATOM 1527 CE2 TYR A 109 0.200 -7.371 3.278 1.00 0.00 C ATOM 1528 CZ TYR A 109 -0.290 -6.204 3.871 1.00 0.00 C ATOM 1529 OH TYR A 109 -0.206 -6.038 5.236 1.00 0.00 O ATOM 0 H TYR A 109 -3.099 -6.331 0.885 1.00 0.00 H new ATOM 0 HA TYR A 109 -2.124 -6.800 -1.904 1.00 0.00 H new ATOM 0 HB2 TYR A 109 0.068 -7.569 -0.706 1.00 0.00 H new ATOM 0 HB3 TYR A 109 -0.154 -5.842 -0.903 1.00 0.00 H new ATOM 0 HD1 TYR A 109 -1.400 -4.603 1.085 1.00 0.00 H new ATOM 0 HD2 TYR A 109 0.494 -8.444 1.437 1.00 0.00 H new ATOM 0 HE1 TYR A 109 -1.248 -4.306 3.541 1.00 0.00 H new ATOM 0 HE2 TYR A 109 0.645 -8.141 3.890 1.00 0.00 H new ATOM 0 HH TYR A 109 -1.082 -5.774 5.588 1.00 0.00 H new ATOM 1539 N SER A 110 -1.988 -9.302 -1.379 1.00 0.00 N ATOM 1540 CA SER A 110 -2.350 -10.734 -1.178 1.00 0.00 C ATOM 1541 C SER A 110 -1.347 -11.640 -1.895 1.00 0.00 C ATOM 1542 O SER A 110 -0.426 -11.175 -2.537 1.00 0.00 O ATOM 1543 CB SER A 110 -3.741 -10.878 -1.794 1.00 0.00 C ATOM 1544 OG SER A 110 -4.481 -11.846 -1.062 1.00 0.00 O ATOM 0 H SER A 110 -1.401 -9.114 -2.192 1.00 0.00 H new ATOM 0 HA SER A 110 -2.338 -11.021 -0.126 1.00 0.00 H new ATOM 0 HB2 SER A 110 -4.259 -9.919 -1.778 1.00 0.00 H new ATOM 0 HB3 SER A 110 -3.659 -11.179 -2.838 1.00 0.00 H new ATOM 0 HG SER A 110 -5.309 -12.057 -1.542 1.00 0.00 H new ATOM 1550 N ASP A 111 -1.516 -12.929 -1.789 1.00 0.00 N ATOM 1551 CA ASP A 111 -0.570 -13.863 -2.464 1.00 0.00 C ATOM 1552 C ASP A 111 -1.339 -14.852 -3.345 1.00 0.00 C ATOM 1553 O ASP A 111 -0.875 -15.940 -3.623 1.00 0.00 O ATOM 1554 CB ASP A 111 0.138 -14.598 -1.325 1.00 0.00 C ATOM 1555 CG ASP A 111 -0.842 -15.556 -0.647 1.00 0.00 C ATOM 1556 OD1 ASP A 111 -2.034 -15.387 -0.840 1.00 0.00 O ATOM 1557 OD2 ASP A 111 -0.384 -16.443 0.054 1.00 0.00 O ATOM 0 H ASP A 111 -2.268 -13.376 -1.264 1.00 0.00 H new ATOM 0 HA ASP A 111 0.133 -13.341 -3.113 1.00 0.00 H new ATOM 0 HB2 ASP A 111 0.994 -15.151 -1.712 1.00 0.00 H new ATOM 0 HB3 ASP A 111 0.523 -13.881 -0.599 1.00 0.00 H new