USER MOD reduce.3.24.130724 H: found=0, std=0, add=525, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 526 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 61 THR OG1 : rot -170:sc= 0.44 USER MOD Set 1.2: A 80 HIS : no HD1:sc= -3.16! C(o=-2.7!,f=-2.7!) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ -154:sc= 0.262 (180deg=0.0403) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot 41:sc= 0.299 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot -150:sc= -0.281 USER MOD Single : A 40 THR OG1 : rot 180:sc= -0.113 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 62 ASN : amide:sc= -0.233 K(o=-0.23,f=-4.9!) USER MOD Single : A 68 ASN : amide:sc= 0 X(o=0,f=0.13) USER MOD Single : A 71 GLN : amide:sc= -0.0363 K(o=-0.036,f=-0.7) USER MOD Single : A 75 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 SER OG : rot 63:sc= 0.582 USER MOD ----------------------------------------------------------------- ATOM 135 N LYS A 13 -16.027 -7.414 -6.163 1.00 0.59 N ATOM 136 CA LYS A 13 -14.642 -7.164 -5.654 1.00 0.62 C ATOM 137 C LYS A 13 -13.629 -8.025 -6.424 1.00 0.66 C ATOM 138 O LYS A 13 -13.954 -9.082 -6.938 1.00 0.72 O ATOM 139 CB LYS A 13 -14.580 -7.514 -4.160 1.00 0.71 C ATOM 140 CG LYS A 13 -15.340 -6.461 -3.340 1.00 0.81 C ATOM 141 CD LYS A 13 -16.241 -7.157 -2.313 1.00 1.24 C ATOM 142 CE LYS A 13 -17.532 -6.352 -2.131 1.00 1.70 C ATOM 143 NZ LYS A 13 -18.688 -7.285 -1.997 1.00 2.35 N ATOM 0 HA LYS A 13 -14.394 -6.113 -5.799 1.00 0.62 H new ATOM 0 HB2 LYS A 13 -15.013 -8.500 -3.991 1.00 0.71 H new ATOM 0 HB3 LYS A 13 -13.542 -7.562 -3.832 1.00 0.71 H new ATOM 0 HG2 LYS A 13 -14.635 -5.803 -2.832 1.00 0.81 H new ATOM 0 HG3 LYS A 13 -15.941 -5.836 -4.001 1.00 0.81 H new ATOM 0 HD2 LYS A 13 -16.475 -8.168 -2.646 1.00 1.24 H new ATOM 0 HD3 LYS A 13 -15.720 -7.248 -1.360 1.00 1.24 H new ATOM 0 HE2 LYS A 13 -17.457 -5.720 -1.246 1.00 1.70 H new ATOM 0 HE3 LYS A 13 -17.683 -5.690 -2.983 1.00 1.70 H new ATOM 0 HZ1 LYS A 13 -19.564 -6.737 -1.874 1.00 2.35 H new ATOM 0 HZ2 LYS A 13 -18.763 -7.870 -2.854 1.00 2.35 H new ATOM 0 HZ3 LYS A 13 -18.544 -7.899 -1.170 1.00 2.35 H new ATOM 157 N VAL A 14 -12.398 -7.575 -6.492 1.00 0.71 N ATOM 158 CA VAL A 14 -11.334 -8.345 -7.211 1.00 0.76 C ATOM 159 C VAL A 14 -10.329 -8.895 -6.187 1.00 0.74 C ATOM 160 O VAL A 14 -9.834 -8.173 -5.338 1.00 0.78 O ATOM 161 CB VAL A 14 -10.612 -7.432 -8.218 1.00 0.81 C ATOM 162 CG1 VAL A 14 -11.561 -7.080 -9.368 1.00 0.85 C ATOM 163 CG2 VAL A 14 -10.156 -6.138 -7.531 1.00 0.83 C ATOM 0 H VAL A 14 -12.083 -6.699 -6.076 1.00 0.71 H new ATOM 0 HA VAL A 14 -11.790 -9.173 -7.755 1.00 0.76 H new ATOM 0 HB VAL A 14 -9.741 -7.960 -8.605 1.00 0.81 H new ATOM 0 HG11 VAL A 14 -11.047 -6.434 -10.079 1.00 0.85 H new ATOM 0 HG12 VAL A 14 -11.877 -7.994 -9.871 1.00 0.85 H new ATOM 0 HG13 VAL A 14 -12.435 -6.562 -8.973 1.00 0.85 H new ATOM 0 HG21 VAL A 14 -9.647 -5.502 -8.255 1.00 0.83 H new ATOM 0 HG22 VAL A 14 -11.024 -5.612 -7.133 1.00 0.83 H new ATOM 0 HG23 VAL A 14 -9.473 -6.380 -6.717 1.00 0.83 H new ATOM 173 N THR A 15 -10.032 -10.172 -6.261 1.00 0.73 N ATOM 174 CA THR A 15 -9.063 -10.784 -5.296 1.00 0.73 C ATOM 175 C THR A 15 -7.679 -10.901 -5.954 1.00 0.68 C ATOM 176 O THR A 15 -7.564 -11.024 -7.161 1.00 0.72 O ATOM 177 CB THR A 15 -9.563 -12.175 -4.867 1.00 0.77 C ATOM 178 OG1 THR A 15 -8.720 -12.686 -3.841 1.00 0.84 O ATOM 179 CG2 THR A 15 -9.555 -13.137 -6.061 1.00 0.78 C ATOM 0 H THR A 15 -10.420 -10.817 -6.949 1.00 0.73 H new ATOM 0 HA THR A 15 -8.984 -10.149 -4.414 1.00 0.73 H new ATOM 0 HB THR A 15 -10.583 -12.083 -4.495 1.00 0.77 H new ATOM 0 HG1 THR A 15 -9.039 -13.571 -3.566 1.00 0.84 H new ATOM 0 HG21 THR A 15 -9.911 -14.116 -5.742 1.00 0.78 H new ATOM 0 HG22 THR A 15 -10.208 -12.751 -6.844 1.00 0.78 H new ATOM 0 HG23 THR A 15 -8.540 -13.228 -6.448 1.00 0.78 H new ATOM 187 N PHE A 16 -6.630 -10.855 -5.165 1.00 0.64 N ATOM 188 CA PHE A 16 -5.250 -10.955 -5.735 1.00 0.61 C ATOM 189 C PHE A 16 -4.423 -11.969 -4.937 1.00 0.58 C ATOM 190 O PHE A 16 -4.410 -11.958 -3.719 1.00 0.72 O ATOM 191 CB PHE A 16 -4.564 -9.586 -5.671 1.00 0.66 C ATOM 192 CG PHE A 16 -5.413 -8.547 -6.372 1.00 0.65 C ATOM 193 CD1 PHE A 16 -5.534 -8.568 -7.767 1.00 0.73 C ATOM 194 CD2 PHE A 16 -6.078 -7.565 -5.626 1.00 0.70 C ATOM 195 CE1 PHE A 16 -6.318 -7.606 -8.416 1.00 0.79 C ATOM 196 CE2 PHE A 16 -6.862 -6.604 -6.277 1.00 0.77 C ATOM 197 CZ PHE A 16 -6.982 -6.626 -7.671 1.00 0.79 C ATOM 0 H PHE A 16 -6.672 -10.752 -4.151 1.00 0.64 H new ATOM 0 HA PHE A 16 -5.321 -11.283 -6.772 1.00 0.61 H new ATOM 0 HB2 PHE A 16 -4.406 -9.298 -4.632 1.00 0.66 H new ATOM 0 HB3 PHE A 16 -3.581 -9.640 -6.139 1.00 0.66 H new ATOM 0 HD1 PHE A 16 -5.023 -9.326 -8.342 1.00 0.73 H new ATOM 0 HD2 PHE A 16 -5.986 -7.549 -4.550 1.00 0.70 H new ATOM 0 HE1 PHE A 16 -6.410 -7.621 -9.492 1.00 0.79 H new ATOM 0 HE2 PHE A 16 -7.374 -5.846 -5.703 1.00 0.77 H new ATOM 0 HZ PHE A 16 -7.588 -5.886 -8.172 1.00 0.79 H new ATOM 207 N LYS A 17 -3.719 -12.831 -5.628 1.00 0.50 N ATOM 208 CA LYS A 17 -2.863 -13.849 -4.946 1.00 0.47 C ATOM 209 C LYS A 17 -1.392 -13.481 -5.180 1.00 0.42 C ATOM 210 O LYS A 17 -0.870 -13.638 -6.269 1.00 0.46 O ATOM 211 CB LYS A 17 -3.156 -15.238 -5.526 1.00 0.52 C ATOM 212 CG LYS A 17 -2.496 -16.310 -4.652 1.00 0.51 C ATOM 213 CD LYS A 17 -1.639 -17.234 -5.525 1.00 0.69 C ATOM 214 CE LYS A 17 -0.169 -17.119 -5.108 1.00 0.76 C ATOM 215 NZ LYS A 17 0.650 -16.674 -6.272 1.00 0.86 N ATOM 0 H LYS A 17 -3.701 -12.873 -6.647 1.00 0.50 H new ATOM 0 HA LYS A 17 -3.074 -13.865 -3.877 1.00 0.47 H new ATOM 0 HB2 LYS A 17 -4.232 -15.404 -5.572 1.00 0.52 H new ATOM 0 HB3 LYS A 17 -2.779 -15.304 -6.547 1.00 0.52 H new ATOM 0 HG2 LYS A 17 -1.878 -15.839 -3.888 1.00 0.51 H new ATOM 0 HG3 LYS A 17 -3.259 -16.890 -4.132 1.00 0.51 H new ATOM 0 HD2 LYS A 17 -1.977 -18.265 -5.422 1.00 0.69 H new ATOM 0 HD3 LYS A 17 -1.751 -16.966 -6.575 1.00 0.69 H new ATOM 0 HE2 LYS A 17 -0.068 -16.409 -4.287 1.00 0.76 H new ATOM 0 HE3 LYS A 17 0.192 -18.081 -4.743 1.00 0.76 H new ATOM 0 HZ1 LYS A 17 1.629 -17.004 -6.154 1.00 0.86 H new ATOM 0 HZ2 LYS A 17 0.254 -17.071 -7.148 1.00 0.86 H new ATOM 0 HZ3 LYS A 17 0.639 -15.636 -6.327 1.00 0.86 H new ATOM 229 N ILE A 18 -0.732 -12.969 -4.169 1.00 0.41 N ATOM 230 CA ILE A 18 0.698 -12.559 -4.326 1.00 0.38 C ATOM 231 C ILE A 18 1.605 -13.451 -3.467 1.00 0.34 C ATOM 232 O ILE A 18 1.371 -13.634 -2.288 1.00 0.40 O ATOM 233 CB ILE A 18 0.850 -11.095 -3.890 1.00 0.45 C ATOM 234 CG1 ILE A 18 -0.185 -10.224 -4.614 1.00 0.55 C ATOM 235 CG2 ILE A 18 2.254 -10.602 -4.234 1.00 0.60 C ATOM 236 CD1 ILE A 18 -1.209 -9.698 -3.605 1.00 0.71 C ATOM 0 H ILE A 18 -1.124 -12.817 -3.240 1.00 0.41 H new ATOM 0 HA ILE A 18 0.991 -12.667 -5.370 1.00 0.38 H new ATOM 0 HB ILE A 18 0.690 -11.026 -2.814 1.00 0.45 H new ATOM 0 HG12 ILE A 18 0.311 -9.391 -5.112 1.00 0.55 H new ATOM 0 HG13 ILE A 18 -0.687 -10.805 -5.388 1.00 0.55 H new ATOM 0 HG21 ILE A 18 2.361 -9.562 -3.924 1.00 0.60 H new ATOM 0 HG22 ILE A 18 2.992 -11.213 -3.714 1.00 0.60 H new ATOM 0 HG23 ILE A 18 2.413 -10.678 -5.310 1.00 0.60 H new ATOM 0 HD11 ILE A 18 -1.943 -9.079 -4.121 1.00 0.71 H new ATOM 0 HD12 ILE A 18 -1.713 -10.538 -3.127 1.00 0.71 H new ATOM 0 HD13 ILE A 18 -0.700 -9.102 -2.848 1.00 0.71 H new ATOM 248 N THR A 19 2.644 -13.997 -4.057 1.00 0.35 N ATOM 249 CA THR A 19 3.588 -14.876 -3.293 1.00 0.35 C ATOM 250 C THR A 19 4.996 -14.256 -3.308 1.00 0.36 C ATOM 251 O THR A 19 5.345 -13.514 -4.208 1.00 0.45 O ATOM 252 CB THR A 19 3.622 -16.273 -3.934 1.00 0.41 C ATOM 253 OG1 THR A 19 4.372 -17.156 -3.109 1.00 0.49 O ATOM 254 CG2 THR A 19 4.265 -16.202 -5.324 1.00 0.50 C ATOM 0 H THR A 19 2.880 -13.870 -5.041 1.00 0.35 H new ATOM 0 HA THR A 19 3.249 -14.965 -2.261 1.00 0.35 H new ATOM 0 HB THR A 19 2.601 -16.642 -4.034 1.00 0.41 H new ATOM 0 HG1 THR A 19 4.392 -18.047 -3.517 1.00 0.49 H new ATOM 0 HG21 THR A 19 4.283 -17.197 -5.768 1.00 0.50 H new ATOM 0 HG22 THR A 19 3.685 -15.532 -5.959 1.00 0.50 H new ATOM 0 HG23 THR A 19 5.284 -15.826 -5.235 1.00 0.50 H new ATOM 407 N LYS A 29 -0.136 -14.526 -0.131 1.00 0.48 N ATOM 408 CA LYS A 29 -1.223 -13.824 0.617 1.00 0.51 C ATOM 409 C LYS A 29 -2.365 -13.470 -0.345 1.00 0.53 C ATOM 410 O LYS A 29 -2.138 -12.990 -1.442 1.00 0.60 O ATOM 411 CB LYS A 29 -0.666 -12.541 1.243 1.00 0.56 C ATOM 412 CG LYS A 29 -0.252 -12.810 2.693 1.00 0.62 C ATOM 413 CD LYS A 29 1.241 -13.143 2.750 1.00 0.72 C ATOM 414 CE LYS A 29 1.585 -13.706 4.132 1.00 0.79 C ATOM 415 NZ LYS A 29 2.891 -14.426 4.076 1.00 0.98 N ATOM 0 HA LYS A 29 -1.602 -14.478 1.403 1.00 0.51 H new ATOM 0 HB2 LYS A 29 0.191 -12.188 0.670 1.00 0.56 H new ATOM 0 HB3 LYS A 29 -1.418 -11.753 1.210 1.00 0.56 H new ATOM 0 HG2 LYS A 29 -0.463 -11.936 3.310 1.00 0.62 H new ATOM 0 HG3 LYS A 29 -0.835 -13.636 3.100 1.00 0.62 H new ATOM 0 HD2 LYS A 29 1.493 -13.869 1.977 1.00 0.72 H new ATOM 0 HD3 LYS A 29 1.832 -12.249 2.552 1.00 0.72 H new ATOM 0 HE2 LYS A 29 1.636 -12.897 4.861 1.00 0.79 H new ATOM 0 HE3 LYS A 29 0.799 -14.385 4.464 1.00 0.79 H new ATOM 0 HZ1 LYS A 29 3.119 -14.806 5.017 1.00 0.98 H new ATOM 0 HZ2 LYS A 29 2.827 -15.208 3.393 1.00 0.98 H new ATOM 0 HZ3 LYS A 29 3.638 -13.767 3.779 1.00 0.98 H new ATOM 429 N VAL A 30 -3.591 -13.701 0.066 1.00 0.55 N ATOM 430 CA VAL A 30 -4.762 -13.379 -0.809 1.00 0.60 C ATOM 431 C VAL A 30 -5.396 -12.064 -0.337 1.00 0.55 C ATOM 432 O VAL A 30 -5.765 -11.922 0.816 1.00 0.66 O ATOM 433 CB VAL A 30 -5.793 -14.515 -0.731 1.00 0.73 C ATOM 434 CG1 VAL A 30 -6.963 -14.218 -1.675 1.00 0.86 C ATOM 435 CG2 VAL A 30 -5.134 -15.835 -1.145 1.00 0.82 C ATOM 0 H VAL A 30 -3.830 -14.100 0.974 1.00 0.55 H new ATOM 0 HA VAL A 30 -4.431 -13.272 -1.842 1.00 0.60 H new ATOM 0 HB VAL A 30 -6.162 -14.594 0.292 1.00 0.73 H new ATOM 0 HG11 VAL A 30 -7.692 -15.026 -1.617 1.00 0.86 H new ATOM 0 HG12 VAL A 30 -7.437 -13.280 -1.384 1.00 0.86 H new ATOM 0 HG13 VAL A 30 -6.594 -14.136 -2.697 1.00 0.86 H new ATOM 0 HG21 VAL A 30 -5.866 -16.640 -1.089 1.00 0.82 H new ATOM 0 HG22 VAL A 30 -4.763 -15.752 -2.167 1.00 0.82 H new ATOM 0 HG23 VAL A 30 -4.303 -16.053 -0.474 1.00 0.82 H new ATOM 445 N LEU A 31 -5.518 -11.099 -1.221 1.00 0.53 N ATOM 446 CA LEU A 31 -6.119 -9.785 -0.834 1.00 0.52 C ATOM 447 C LEU A 31 -7.452 -9.585 -1.568 1.00 0.54 C ATOM 448 O LEU A 31 -7.489 -9.421 -2.774 1.00 0.64 O ATOM 449 CB LEU A 31 -5.153 -8.653 -1.207 1.00 0.58 C ATOM 450 CG LEU A 31 -4.586 -8.021 0.068 1.00 0.68 C ATOM 451 CD1 LEU A 31 -3.060 -7.967 -0.024 1.00 0.78 C ATOM 452 CD2 LEU A 31 -5.139 -6.602 0.224 1.00 1.10 C ATOM 0 H LEU A 31 -5.226 -11.168 -2.196 1.00 0.53 H new ATOM 0 HA LEU A 31 -6.298 -9.774 0.241 1.00 0.52 H new ATOM 0 HB2 LEU A 31 -4.343 -9.041 -1.824 1.00 0.58 H new ATOM 0 HB3 LEU A 31 -5.672 -7.899 -1.799 1.00 0.58 H new ATOM 0 HG LEU A 31 -4.876 -8.621 0.931 1.00 0.68 H new ATOM 0 HD11 LEU A 31 -2.656 -7.517 0.883 1.00 0.78 H new ATOM 0 HD12 LEU A 31 -2.666 -8.977 -0.134 1.00 0.78 H new ATOM 0 HD13 LEU A 31 -2.768 -7.368 -0.887 1.00 0.78 H new ATOM 0 HD21 LEU A 31 -4.736 -6.152 1.131 1.00 1.10 H new ATOM 0 HD22 LEU A 31 -4.849 -6.002 -0.638 1.00 1.10 H new ATOM 0 HD23 LEU A 31 -6.226 -6.641 0.291 1.00 1.10 H new ATOM 464 N SER A 32 -8.545 -9.593 -0.839 1.00 0.52 N ATOM 465 CA SER A 32 -9.887 -9.397 -1.472 1.00 0.57 C ATOM 466 C SER A 32 -10.350 -7.953 -1.232 1.00 0.56 C ATOM 467 O SER A 32 -10.638 -7.561 -0.115 1.00 0.59 O ATOM 468 CB SER A 32 -10.900 -10.380 -0.869 1.00 0.64 C ATOM 469 OG SER A 32 -10.830 -10.329 0.553 1.00 0.70 O ATOM 0 H SER A 32 -8.563 -9.728 0.172 1.00 0.52 H new ATOM 0 HA SER A 32 -9.815 -9.583 -2.544 1.00 0.57 H new ATOM 0 HB2 SER A 32 -11.907 -10.130 -1.202 1.00 0.64 H new ATOM 0 HB3 SER A 32 -10.691 -11.392 -1.217 1.00 0.64 H new ATOM 0 HG SER A 32 -10.740 -9.397 0.843 1.00 0.70 H new ATOM 475 N VAL A 33 -10.418 -7.165 -2.279 1.00 0.59 N ATOM 476 CA VAL A 33 -10.856 -5.737 -2.138 1.00 0.61 C ATOM 477 C VAL A 33 -11.725 -5.347 -3.342 1.00 0.68 C ATOM 478 O VAL A 33 -11.647 -5.972 -4.382 1.00 0.75 O ATOM 479 CB VAL A 33 -9.627 -4.814 -2.078 1.00 0.61 C ATOM 480 CG1 VAL A 33 -8.889 -5.019 -0.753 1.00 0.64 C ATOM 481 CG2 VAL A 33 -8.677 -5.126 -3.242 1.00 0.69 C ATOM 0 H VAL A 33 -10.188 -7.450 -3.231 1.00 0.59 H new ATOM 0 HA VAL A 33 -11.431 -5.630 -1.218 1.00 0.61 H new ATOM 0 HB VAL A 33 -9.961 -3.779 -2.153 1.00 0.61 H new ATOM 0 HG11 VAL A 33 -8.019 -4.363 -0.716 1.00 0.64 H new ATOM 0 HG12 VAL A 33 -9.557 -4.784 0.076 1.00 0.64 H new ATOM 0 HG13 VAL A 33 -8.564 -6.057 -0.674 1.00 0.64 H new ATOM 0 HG21 VAL A 33 -7.810 -4.467 -3.191 1.00 0.69 H new ATOM 0 HG22 VAL A 33 -8.349 -6.163 -3.176 1.00 0.69 H new ATOM 0 HG23 VAL A 33 -9.196 -4.969 -4.187 1.00 0.69 H new ATOM 491 N PRO A 34 -12.527 -4.320 -3.169 1.00 0.68 N ATOM 492 CA PRO A 34 -13.424 -3.823 -4.233 1.00 0.76 C ATOM 493 C PRO A 34 -12.631 -3.062 -5.304 1.00 0.79 C ATOM 494 O PRO A 34 -11.528 -2.602 -5.064 1.00 0.76 O ATOM 495 CB PRO A 34 -14.389 -2.895 -3.488 1.00 0.75 C ATOM 496 CG PRO A 34 -13.671 -2.476 -2.184 1.00 0.68 C ATOM 497 CD PRO A 34 -12.607 -3.553 -1.905 1.00 0.64 C ATOM 0 HA PRO A 34 -13.940 -4.623 -4.764 1.00 0.76 H new ATOM 0 HB2 PRO A 34 -14.635 -2.023 -4.094 1.00 0.75 H new ATOM 0 HB3 PRO A 34 -15.327 -3.405 -3.268 1.00 0.75 H new ATOM 0 HG2 PRO A 34 -13.210 -1.494 -2.293 1.00 0.68 H new ATOM 0 HG3 PRO A 34 -14.378 -2.406 -1.357 1.00 0.68 H new ATOM 0 HD2 PRO A 34 -11.646 -3.107 -1.648 1.00 0.64 H new ATOM 0 HD3 PRO A 34 -12.895 -4.191 -1.070 1.00 0.64 H new ATOM 505 N GLU A 35 -13.191 -2.931 -6.486 1.00 0.89 N ATOM 506 CA GLU A 35 -12.485 -2.204 -7.592 1.00 0.97 C ATOM 507 C GLU A 35 -12.166 -0.761 -7.163 1.00 0.94 C ATOM 508 O GLU A 35 -11.225 -0.162 -7.653 1.00 1.01 O ATOM 509 CB GLU A 35 -13.360 -2.202 -8.857 1.00 1.10 C ATOM 510 CG GLU A 35 -14.602 -1.317 -8.658 1.00 0.93 C ATOM 511 CD GLU A 35 -15.779 -2.166 -8.159 1.00 1.02 C ATOM 512 OE1 GLU A 35 -16.389 -2.840 -8.974 1.00 1.44 O ATOM 513 OE2 GLU A 35 -16.052 -2.122 -6.969 1.00 1.05 O ATOM 0 H GLU A 35 -14.110 -3.298 -6.733 1.00 0.89 H new ATOM 0 HA GLU A 35 -11.548 -2.716 -7.810 1.00 0.97 H new ATOM 0 HB2 GLU A 35 -12.780 -1.838 -9.705 1.00 1.10 H new ATOM 0 HB3 GLU A 35 -13.667 -3.221 -9.094 1.00 1.10 H new ATOM 0 HG2 GLU A 35 -14.384 -0.526 -7.940 1.00 0.93 H new ATOM 0 HG3 GLU A 35 -14.866 -0.831 -9.597 1.00 0.93 H new ATOM 520 N SER A 36 -12.935 -0.205 -6.249 1.00 0.89 N ATOM 521 CA SER A 36 -12.675 1.190 -5.778 1.00 0.89 C ATOM 522 C SER A 36 -11.310 1.255 -5.077 1.00 0.83 C ATOM 523 O SER A 36 -10.580 2.219 -5.223 1.00 0.89 O ATOM 524 CB SER A 36 -13.773 1.611 -4.798 1.00 0.89 C ATOM 525 OG SER A 36 -14.848 2.198 -5.520 1.00 1.54 O ATOM 0 H SER A 36 -13.734 -0.664 -5.810 1.00 0.89 H new ATOM 0 HA SER A 36 -12.672 1.864 -6.634 1.00 0.89 H new ATOM 0 HB2 SER A 36 -14.126 0.746 -4.237 1.00 0.89 H new ATOM 0 HB3 SER A 36 -13.376 2.321 -4.073 1.00 0.89 H new ATOM 0 HG SER A 36 -15.553 2.467 -4.895 1.00 1.54 H new ATOM 531 N THR A 37 -10.960 0.233 -4.322 1.00 0.77 N ATOM 532 CA THR A 37 -9.640 0.226 -3.615 1.00 0.72 C ATOM 533 C THR A 37 -8.508 0.206 -4.658 1.00 0.73 C ATOM 534 O THR A 37 -8.495 -0.641 -5.531 1.00 0.75 O ATOM 535 CB THR A 37 -9.539 -1.017 -2.718 1.00 0.67 C ATOM 536 OG1 THR A 37 -10.570 -0.969 -1.734 1.00 0.67 O ATOM 537 CG2 THR A 37 -8.165 -1.052 -2.033 1.00 0.70 C ATOM 0 H THR A 37 -11.535 -0.595 -4.168 1.00 0.77 H new ATOM 0 HA THR A 37 -9.552 1.119 -2.997 1.00 0.72 H new ATOM 0 HB THR A 37 -9.655 -1.916 -3.323 1.00 0.67 H new ATOM 0 HG1 THR A 37 -10.268 -1.426 -0.921 1.00 0.67 H new ATOM 0 HG21 THR A 37 -8.098 -1.935 -1.398 1.00 0.70 H new ATOM 0 HG22 THR A 37 -7.382 -1.089 -2.790 1.00 0.70 H new ATOM 0 HG23 THR A 37 -8.039 -0.157 -1.424 1.00 0.70 H new ATOM 545 N PRO A 38 -7.599 1.149 -4.536 1.00 0.74 N ATOM 546 CA PRO A 38 -6.453 1.279 -5.459 1.00 0.77 C ATOM 547 C PRO A 38 -5.353 0.255 -5.132 1.00 0.70 C ATOM 548 O PRO A 38 -5.304 -0.299 -4.045 1.00 0.69 O ATOM 549 CB PRO A 38 -5.954 2.705 -5.210 1.00 0.83 C ATOM 550 CG PRO A 38 -6.450 3.104 -3.801 1.00 0.81 C ATOM 551 CD PRO A 38 -7.630 2.172 -3.469 1.00 0.76 C ATOM 0 HA PRO A 38 -6.728 1.095 -6.497 1.00 0.77 H new ATOM 0 HB2 PRO A 38 -4.866 2.751 -5.266 1.00 0.83 H new ATOM 0 HB3 PRO A 38 -6.341 3.389 -5.966 1.00 0.83 H new ATOM 0 HG2 PRO A 38 -5.653 2.997 -3.065 1.00 0.81 H new ATOM 0 HG3 PRO A 38 -6.764 4.148 -3.782 1.00 0.81 H new ATOM 0 HD2 PRO A 38 -7.516 1.722 -2.483 1.00 0.76 H new ATOM 0 HD3 PRO A 38 -8.576 2.714 -3.465 1.00 0.76 H new ATOM 559 N PHE A 39 -4.463 0.016 -6.070 1.00 0.69 N ATOM 560 CA PHE A 39 -3.349 -0.954 -5.836 1.00 0.64 C ATOM 561 C PHE A 39 -2.411 -0.418 -4.743 1.00 0.63 C ATOM 562 O PHE A 39 -1.663 -1.169 -4.150 1.00 0.60 O ATOM 563 CB PHE A 39 -2.563 -1.165 -7.135 1.00 0.65 C ATOM 564 CG PHE A 39 -1.880 -2.516 -7.101 1.00 0.64 C ATOM 565 CD1 PHE A 39 -2.643 -3.684 -6.973 1.00 0.65 C ATOM 566 CD2 PHE A 39 -0.486 -2.599 -7.198 1.00 0.68 C ATOM 567 CE1 PHE A 39 -2.012 -4.934 -6.941 1.00 0.67 C ATOM 568 CE2 PHE A 39 0.146 -3.849 -7.165 1.00 0.69 C ATOM 569 CZ PHE A 39 -0.618 -5.015 -7.036 1.00 0.67 C ATOM 0 H PHE A 39 -4.463 0.455 -6.991 1.00 0.69 H new ATOM 0 HA PHE A 39 -3.768 -1.907 -5.512 1.00 0.64 H new ATOM 0 HB2 PHE A 39 -3.234 -1.107 -7.992 1.00 0.65 H new ATOM 0 HB3 PHE A 39 -1.822 -0.375 -7.256 1.00 0.65 H new ATOM 0 HD1 PHE A 39 -3.719 -3.620 -6.899 1.00 0.65 H new ATOM 0 HD2 PHE A 39 0.103 -1.699 -7.298 1.00 0.68 H new ATOM 0 HE1 PHE A 39 -2.600 -5.834 -6.843 1.00 0.67 H new ATOM 0 HE2 PHE A 39 1.222 -3.913 -7.239 1.00 0.69 H new ATOM 0 HZ PHE A 39 -0.131 -5.979 -7.010 1.00 0.67 H new ATOM 579 N THR A 40 -2.457 0.870 -4.462 1.00 0.67 N ATOM 580 CA THR A 40 -1.582 1.442 -3.389 1.00 0.68 C ATOM 581 C THR A 40 -1.929 0.764 -2.058 1.00 0.65 C ATOM 582 O THR A 40 -1.055 0.377 -1.304 1.00 0.64 O ATOM 583 CB THR A 40 -1.815 2.957 -3.270 1.00 0.77 C ATOM 584 OG1 THR A 40 -3.212 3.227 -3.221 1.00 0.82 O ATOM 585 CG2 THR A 40 -1.200 3.669 -4.476 1.00 0.87 C ATOM 0 H THR A 40 -3.062 1.544 -4.930 1.00 0.67 H new ATOM 0 HA THR A 40 -0.536 1.266 -3.638 1.00 0.68 H new ATOM 0 HB THR A 40 -1.345 3.320 -2.356 1.00 0.77 H new ATOM 0 HG1 THR A 40 -3.356 4.193 -3.143 1.00 0.82 H new ATOM 0 HG21 THR A 40 -1.367 4.743 -4.389 1.00 0.87 H new ATOM 0 HG22 THR A 40 -0.129 3.470 -4.509 1.00 0.87 H new ATOM 0 HG23 THR A 40 -1.665 3.303 -5.391 1.00 0.87 H new ATOM 593 N ALA A 41 -3.205 0.607 -1.781 1.00 0.66 N ATOM 594 CA ALA A 41 -3.635 -0.059 -0.513 1.00 0.64 C ATOM 595 C ALA A 41 -3.442 -1.576 -0.641 1.00 0.59 C ATOM 596 O ALA A 41 -3.060 -2.237 0.308 1.00 0.57 O ATOM 597 CB ALA A 41 -5.110 0.250 -0.246 1.00 0.68 C ATOM 0 H ALA A 41 -3.968 0.914 -2.384 1.00 0.66 H new ATOM 0 HA ALA A 41 -3.033 0.314 0.315 1.00 0.64 H new ATOM 0 HB1 ALA A 41 -5.422 -0.236 0.678 1.00 0.68 H new ATOM 0 HB2 ALA A 41 -5.245 1.328 -0.153 1.00 0.68 H new ATOM 0 HB3 ALA A 41 -5.715 -0.121 -1.073 1.00 0.68 H new ATOM 603 N VAL A 42 -3.695 -2.130 -1.811 1.00 0.57 N ATOM 604 CA VAL A 42 -3.517 -3.606 -2.009 1.00 0.54 C ATOM 605 C VAL A 42 -2.042 -3.966 -1.775 1.00 0.51 C ATOM 606 O VAL A 42 -1.729 -4.842 -0.989 1.00 0.51 O ATOM 607 CB VAL A 42 -3.930 -3.990 -3.437 1.00 0.57 C ATOM 608 CG1 VAL A 42 -3.722 -5.493 -3.652 1.00 0.56 C ATOM 609 CG2 VAL A 42 -5.410 -3.650 -3.649 1.00 0.63 C ATOM 0 H VAL A 42 -4.017 -1.621 -2.634 1.00 0.57 H new ATOM 0 HA VAL A 42 -4.143 -4.152 -1.303 1.00 0.54 H new ATOM 0 HB VAL A 42 -3.318 -3.435 -4.148 1.00 0.57 H new ATOM 0 HG11 VAL A 42 -4.017 -5.760 -4.667 1.00 0.56 H new ATOM 0 HG12 VAL A 42 -2.671 -5.740 -3.503 1.00 0.56 H new ATOM 0 HG13 VAL A 42 -4.330 -6.050 -2.939 1.00 0.56 H new ATOM 0 HG21 VAL A 42 -5.704 -3.922 -4.663 1.00 0.63 H new ATOM 0 HG22 VAL A 42 -6.017 -4.205 -2.934 1.00 0.63 H new ATOM 0 HG23 VAL A 42 -5.562 -2.581 -3.502 1.00 0.63 H new ATOM 619 N LEU A 43 -1.142 -3.277 -2.443 1.00 0.53 N ATOM 620 CA LEU A 43 0.320 -3.542 -2.261 1.00 0.53 C ATOM 621 C LEU A 43 0.709 -3.247 -0.804 1.00 0.50 C ATOM 622 O LEU A 43 1.541 -3.922 -0.231 1.00 0.48 O ATOM 623 CB LEU A 43 1.123 -2.634 -3.204 1.00 0.58 C ATOM 624 CG LEU A 43 2.565 -3.144 -3.321 1.00 0.61 C ATOM 625 CD1 LEU A 43 2.969 -3.209 -4.797 1.00 0.69 C ATOM 626 CD2 LEU A 43 3.507 -2.188 -2.582 1.00 0.75 C ATOM 0 H LEU A 43 -1.362 -2.538 -3.110 1.00 0.53 H new ATOM 0 HA LEU A 43 0.538 -4.585 -2.492 1.00 0.53 H new ATOM 0 HB2 LEU A 43 0.655 -2.613 -4.188 1.00 0.58 H new ATOM 0 HB3 LEU A 43 1.120 -1.611 -2.828 1.00 0.58 H new ATOM 0 HG LEU A 43 2.632 -4.139 -2.880 1.00 0.61 H new ATOM 0 HD11 LEU A 43 3.994 -3.572 -4.878 1.00 0.69 H new ATOM 0 HD12 LEU A 43 2.301 -3.888 -5.328 1.00 0.69 H new ATOM 0 HD13 LEU A 43 2.900 -2.214 -5.237 1.00 0.69 H new ATOM 0 HD21 LEU A 43 4.532 -2.550 -2.665 1.00 0.75 H new ATOM 0 HD22 LEU A 43 3.437 -1.194 -3.024 1.00 0.75 H new ATOM 0 HD23 LEU A 43 3.224 -2.139 -1.531 1.00 0.75 H new ATOM 638 N LYS A 44 0.098 -2.243 -0.206 1.00 0.53 N ATOM 639 CA LYS A 44 0.407 -1.889 1.218 1.00 0.53 C ATOM 640 C LYS A 44 0.079 -3.078 2.134 1.00 0.49 C ATOM 641 O LYS A 44 0.904 -3.507 2.920 1.00 0.52 O ATOM 642 CB LYS A 44 -0.437 -0.673 1.630 1.00 0.58 C ATOM 643 CG LYS A 44 0.074 -0.105 2.958 1.00 0.73 C ATOM 644 CD LYS A 44 0.905 1.152 2.683 1.00 1.27 C ATOM 645 CE LYS A 44 2.080 1.226 3.662 1.00 1.80 C ATOM 646 NZ LYS A 44 2.138 2.584 4.277 1.00 2.68 N ATOM 0 H LYS A 44 -0.605 -1.652 -0.649 1.00 0.53 H new ATOM 0 HA LYS A 44 1.466 -1.650 1.311 1.00 0.53 H new ATOM 0 HB2 LYS A 44 -0.389 0.092 0.855 1.00 0.58 H new ATOM 0 HB3 LYS A 44 -1.483 -0.963 1.728 1.00 0.58 H new ATOM 0 HG2 LYS A 44 -0.765 0.135 3.611 1.00 0.73 H new ATOM 0 HG3 LYS A 44 0.679 -0.849 3.476 1.00 0.73 H new ATOM 0 HD2 LYS A 44 1.275 1.136 1.658 1.00 1.27 H new ATOM 0 HD3 LYS A 44 0.281 2.040 2.783 1.00 1.27 H new ATOM 0 HE2 LYS A 44 1.967 0.469 4.438 1.00 1.80 H new ATOM 0 HE3 LYS A 44 3.013 1.012 3.142 1.00 1.80 H new ATOM 0 HZ1 LYS A 44 2.937 2.630 4.941 1.00 2.68 H new ATOM 0 HZ2 LYS A 44 2.266 3.298 3.531 1.00 2.68 H new ATOM 0 HZ3 LYS A 44 1.252 2.772 4.788 1.00 2.68 H new ATOM 660 N PHE A 45 -1.123 -3.608 2.036 1.00 0.47 N ATOM 661 CA PHE A 45 -1.524 -4.770 2.894 1.00 0.46 C ATOM 662 C PHE A 45 -0.669 -5.999 2.553 1.00 0.43 C ATOM 663 O PHE A 45 -0.217 -6.706 3.435 1.00 0.47 O ATOM 664 CB PHE A 45 -3.005 -5.094 2.653 1.00 0.51 C ATOM 665 CG PHE A 45 -3.602 -5.734 3.887 1.00 0.71 C ATOM 666 CD1 PHE A 45 -3.655 -5.026 5.095 1.00 1.24 C ATOM 667 CD2 PHE A 45 -4.111 -7.037 3.821 1.00 0.98 C ATOM 668 CE1 PHE A 45 -4.217 -5.619 6.232 1.00 1.58 C ATOM 669 CE2 PHE A 45 -4.672 -7.630 4.958 1.00 1.26 C ATOM 670 CZ PHE A 45 -4.724 -6.922 6.163 1.00 1.44 C ATOM 0 H PHE A 45 -1.845 -3.281 1.394 1.00 0.47 H new ATOM 0 HA PHE A 45 -1.369 -4.510 3.941 1.00 0.46 H new ATOM 0 HB2 PHE A 45 -3.550 -4.183 2.406 1.00 0.51 H new ATOM 0 HB3 PHE A 45 -3.105 -5.766 1.800 1.00 0.51 H new ATOM 0 HD1 PHE A 45 -3.262 -4.022 5.149 1.00 1.24 H new ATOM 0 HD2 PHE A 45 -4.071 -7.585 2.891 1.00 0.98 H new ATOM 0 HE1 PHE A 45 -4.259 -5.071 7.162 1.00 1.58 H new ATOM 0 HE2 PHE A 45 -5.065 -8.635 4.905 1.00 1.26 H new ATOM 0 HZ PHE A 45 -5.155 -7.381 7.040 1.00 1.44 H new ATOM 680 N ALA A 46 -0.448 -6.253 1.280 1.00 0.42 N ATOM 681 CA ALA A 46 0.378 -7.434 0.867 1.00 0.42 C ATOM 682 C ALA A 46 1.796 -7.310 1.440 1.00 0.41 C ATOM 683 O ALA A 46 2.334 -8.258 1.982 1.00 0.43 O ATOM 684 CB ALA A 46 0.450 -7.501 -0.663 1.00 0.48 C ATOM 0 H ALA A 46 -0.806 -5.690 0.509 1.00 0.42 H new ATOM 0 HA ALA A 46 -0.085 -8.343 1.252 1.00 0.42 H new ATOM 0 HB1 ALA A 46 1.051 -8.360 -0.962 1.00 0.48 H new ATOM 0 HB2 ALA A 46 -0.556 -7.602 -1.070 1.00 0.48 H new ATOM 0 HB3 ALA A 46 0.906 -6.588 -1.046 1.00 0.48 H new ATOM 690 N ALA A 47 2.401 -6.149 1.324 1.00 0.43 N ATOM 691 CA ALA A 47 3.786 -5.953 1.860 1.00 0.46 C ATOM 692 C ALA A 47 3.782 -6.111 3.386 1.00 0.44 C ATOM 693 O ALA A 47 4.670 -6.722 3.952 1.00 0.47 O ATOM 694 CB ALA A 47 4.286 -4.553 1.491 1.00 0.55 C ATOM 0 H ALA A 47 1.992 -5.327 0.879 1.00 0.43 H new ATOM 0 HA ALA A 47 4.447 -6.702 1.424 1.00 0.46 H new ATOM 0 HB1 ALA A 47 5.294 -4.412 1.882 1.00 0.55 H new ATOM 0 HB2 ALA A 47 4.299 -4.445 0.406 1.00 0.55 H new ATOM 0 HB3 ALA A 47 3.622 -3.804 1.922 1.00 0.55 H new ATOM 700 N GLU A 48 2.786 -5.569 4.054 1.00 0.45 N ATOM 701 CA GLU A 48 2.713 -5.687 5.546 1.00 0.47 C ATOM 702 C GLU A 48 2.625 -7.166 5.944 1.00 0.42 C ATOM 703 O GLU A 48 3.254 -7.596 6.894 1.00 0.49 O ATOM 704 CB GLU A 48 1.478 -4.941 6.064 1.00 0.52 C ATOM 705 CG GLU A 48 1.914 -3.644 6.754 1.00 0.63 C ATOM 706 CD GLU A 48 2.039 -2.523 5.716 1.00 0.82 C ATOM 707 OE1 GLU A 48 3.076 -2.442 5.077 1.00 0.96 O ATOM 708 OE2 GLU A 48 1.094 -1.763 5.579 1.00 1.00 O ATOM 0 H GLU A 48 2.020 -5.049 3.627 1.00 0.45 H new ATOM 0 HA GLU A 48 3.609 -5.248 5.984 1.00 0.47 H new ATOM 0 HB2 GLU A 48 0.803 -4.716 5.238 1.00 0.52 H new ATOM 0 HB3 GLU A 48 0.927 -5.570 6.764 1.00 0.52 H new ATOM 0 HG2 GLU A 48 1.188 -3.366 7.518 1.00 0.63 H new ATOM 0 HG3 GLU A 48 2.868 -3.793 7.259 1.00 0.63 H new ATOM 715 N GLU A 49 1.856 -7.947 5.216 1.00 0.38 N ATOM 716 CA GLU A 49 1.730 -9.403 5.537 1.00 0.40 C ATOM 717 C GLU A 49 3.055 -10.115 5.223 1.00 0.37 C ATOM 718 O GLU A 49 3.444 -11.042 5.910 1.00 0.45 O ATOM 719 CB GLU A 49 0.605 -10.019 4.697 1.00 0.44 C ATOM 720 CG GLU A 49 -0.746 -9.456 5.152 1.00 0.51 C ATOM 721 CD GLU A 49 -1.823 -9.792 4.115 1.00 0.56 C ATOM 722 OE1 GLU A 49 -1.861 -9.130 3.089 1.00 0.65 O ATOM 723 OE2 GLU A 49 -2.594 -10.705 4.364 1.00 0.65 O ATOM 0 H GLU A 49 1.311 -7.635 4.413 1.00 0.38 H new ATOM 0 HA GLU A 49 1.497 -9.521 6.595 1.00 0.40 H new ATOM 0 HB2 GLU A 49 0.764 -9.800 3.641 1.00 0.44 H new ATOM 0 HB3 GLU A 49 0.612 -11.104 4.802 1.00 0.44 H new ATOM 0 HG2 GLU A 49 -1.017 -9.875 6.121 1.00 0.51 H new ATOM 0 HG3 GLU A 49 -0.676 -8.376 5.280 1.00 0.51 H new ATOM 730 N PHE A 50 3.751 -9.678 4.195 1.00 0.36 N ATOM 731 CA PHE A 50 5.059 -10.310 3.831 1.00 0.40 C ATOM 732 C PHE A 50 6.193 -9.747 4.708 1.00 0.47 C ATOM 733 O PHE A 50 7.333 -10.164 4.592 1.00 0.56 O ATOM 734 CB PHE A 50 5.364 -10.027 2.356 1.00 0.42 C ATOM 735 CG PHE A 50 4.789 -11.133 1.499 1.00 0.38 C ATOM 736 CD1 PHE A 50 5.358 -12.412 1.530 1.00 0.55 C ATOM 737 CD2 PHE A 50 3.687 -10.879 0.675 1.00 0.46 C ATOM 738 CE1 PHE A 50 4.824 -13.436 0.738 1.00 0.60 C ATOM 739 CE2 PHE A 50 3.153 -11.901 -0.117 1.00 0.47 C ATOM 740 CZ PHE A 50 3.721 -13.180 -0.085 1.00 0.46 C ATOM 0 H PHE A 50 3.465 -8.907 3.592 1.00 0.36 H new ATOM 0 HA PHE A 50 4.991 -11.385 3.997 1.00 0.40 H new ATOM 0 HB2 PHE A 50 4.938 -9.067 2.063 1.00 0.42 H new ATOM 0 HB3 PHE A 50 6.441 -9.957 2.204 1.00 0.42 H new ATOM 0 HD1 PHE A 50 6.209 -12.609 2.165 1.00 0.55 H new ATOM 0 HD2 PHE A 50 3.248 -9.893 0.650 1.00 0.46 H new ATOM 0 HE1 PHE A 50 5.263 -14.423 0.762 1.00 0.60 H new ATOM 0 HE2 PHE A 50 2.303 -11.703 -0.753 1.00 0.47 H new ATOM 0 HZ PHE A 50 3.308 -13.969 -0.695 1.00 0.46 H new ATOM 750 N LYS A 51 5.888 -8.810 5.589 1.00 0.49 N ATOM 751 CA LYS A 51 6.930 -8.216 6.488 1.00 0.59 C ATOM 752 C LYS A 51 7.928 -7.366 5.666 1.00 0.63 C ATOM 753 O LYS A 51 9.108 -7.310 5.967 1.00 0.73 O ATOM 754 CB LYS A 51 7.662 -9.345 7.241 1.00 0.67 C ATOM 755 CG LYS A 51 7.632 -9.073 8.755 1.00 0.99 C ATOM 756 CD LYS A 51 6.902 -10.213 9.482 1.00 1.86 C ATOM 757 CE LYS A 51 7.916 -11.264 9.950 1.00 2.70 C ATOM 758 NZ LYS A 51 7.350 -12.632 9.755 1.00 3.62 N ATOM 0 H LYS A 51 4.950 -8.432 5.720 1.00 0.49 H new ATOM 0 HA LYS A 51 6.450 -7.561 7.215 1.00 0.59 H new ATOM 0 HB2 LYS A 51 7.189 -10.303 7.026 1.00 0.67 H new ATOM 0 HB3 LYS A 51 8.694 -9.414 6.896 1.00 0.67 H new ATOM 0 HG2 LYS A 51 8.649 -8.981 9.136 1.00 0.99 H new ATOM 0 HG3 LYS A 51 7.131 -8.126 8.952 1.00 0.99 H new ATOM 0 HD2 LYS A 51 6.353 -9.819 10.337 1.00 1.86 H new ATOM 0 HD3 LYS A 51 6.170 -10.671 8.817 1.00 1.86 H new ATOM 0 HE2 LYS A 51 8.845 -11.161 9.390 1.00 2.70 H new ATOM 0 HE3 LYS A 51 8.158 -11.107 11.001 1.00 2.70 H new ATOM 0 HZ1 LYS A 51 8.040 -13.342 10.073 1.00 3.62 H new ATOM 0 HZ2 LYS A 51 6.475 -12.728 10.308 1.00 3.62 H new ATOM 0 HZ3 LYS A 51 7.140 -12.781 8.747 1.00 3.62 H new ATOM 772 N VAL A 52 7.445 -6.686 4.642 1.00 0.59 N ATOM 773 CA VAL A 52 8.331 -5.810 3.801 1.00 0.64 C ATOM 774 C VAL A 52 7.684 -4.417 3.676 1.00 0.65 C ATOM 775 O VAL A 52 6.475 -4.295 3.761 1.00 0.64 O ATOM 776 CB VAL A 52 8.513 -6.419 2.398 1.00 0.60 C ATOM 777 CG1 VAL A 52 9.394 -7.667 2.485 1.00 0.71 C ATOM 778 CG2 VAL A 52 7.150 -6.802 1.806 1.00 0.53 C ATOM 0 H VAL A 52 6.467 -6.703 4.353 1.00 0.59 H new ATOM 0 HA VAL A 52 9.309 -5.729 4.276 1.00 0.64 H new ATOM 0 HB VAL A 52 8.989 -5.679 1.755 1.00 0.60 H new ATOM 0 HG11 VAL A 52 9.520 -8.094 1.490 1.00 0.71 H new ATOM 0 HG12 VAL A 52 10.369 -7.396 2.889 1.00 0.71 H new ATOM 0 HG13 VAL A 52 8.922 -8.401 3.138 1.00 0.71 H new ATOM 0 HG21 VAL A 52 7.292 -7.231 0.814 1.00 0.53 H new ATOM 0 HG22 VAL A 52 6.665 -7.534 2.452 1.00 0.53 H new ATOM 0 HG23 VAL A 52 6.523 -5.913 1.730 1.00 0.53 H new ATOM 788 N PRO A 53 8.504 -3.403 3.477 1.00 0.72 N ATOM 789 CA PRO A 53 8.024 -2.012 3.342 1.00 0.78 C ATOM 790 C PRO A 53 7.355 -1.779 1.983 1.00 0.71 C ATOM 791 O PRO A 53 7.978 -1.877 0.942 1.00 0.67 O ATOM 792 CB PRO A 53 9.290 -1.170 3.493 1.00 0.89 C ATOM 793 CG PRO A 53 10.477 -2.102 3.160 1.00 0.89 C ATOM 794 CD PRO A 53 9.974 -3.545 3.366 1.00 0.80 C ATOM 0 HA PRO A 53 7.264 -1.759 4.081 1.00 0.78 H new ATOM 0 HB2 PRO A 53 9.269 -0.313 2.820 1.00 0.89 H new ATOM 0 HB3 PRO A 53 9.377 -0.778 4.506 1.00 0.89 H new ATOM 0 HG2 PRO A 53 10.812 -1.951 2.134 1.00 0.89 H new ATOM 0 HG3 PRO A 53 11.328 -1.892 3.808 1.00 0.89 H new ATOM 0 HD2 PRO A 53 10.250 -4.187 2.529 1.00 0.80 H new ATOM 0 HD3 PRO A 53 10.400 -3.991 4.264 1.00 0.80 H new ATOM 802 N ALA A 54 6.084 -1.464 2.010 1.00 0.76 N ATOM 803 CA ALA A 54 5.319 -1.207 0.746 1.00 0.76 C ATOM 804 C ALA A 54 5.897 0.016 0.018 1.00 0.80 C ATOM 805 O ALA A 54 5.850 0.095 -1.197 1.00 0.79 O ATOM 806 CB ALA A 54 3.849 -0.945 1.089 1.00 0.87 C ATOM 0 H ALA A 54 5.535 -1.372 2.865 1.00 0.76 H new ATOM 0 HA ALA A 54 5.399 -2.079 0.097 1.00 0.76 H new ATOM 0 HB1 ALA A 54 3.289 -0.758 0.173 1.00 0.87 H new ATOM 0 HB2 ALA A 54 3.433 -1.815 1.597 1.00 0.87 H new ATOM 0 HB3 ALA A 54 3.777 -0.075 1.742 1.00 0.87 H new ATOM 812 N ALA A 55 6.439 0.963 0.751 1.00 0.91 N ATOM 813 CA ALA A 55 7.025 2.184 0.113 1.00 0.97 C ATOM 814 C ALA A 55 8.148 1.778 -0.854 1.00 0.72 C ATOM 815 O ALA A 55 8.284 2.345 -1.923 1.00 0.81 O ATOM 816 CB ALA A 55 7.592 3.104 1.198 1.00 1.17 C ATOM 0 H ALA A 55 6.500 0.940 1.769 1.00 0.91 H new ATOM 0 HA ALA A 55 6.247 2.709 -0.441 1.00 0.97 H new ATOM 0 HB1 ALA A 55 8.019 3.993 0.734 1.00 1.17 H new ATOM 0 HB2 ALA A 55 6.794 3.398 1.880 1.00 1.17 H new ATOM 0 HB3 ALA A 55 8.368 2.577 1.753 1.00 1.17 H new ATOM 822 N THR A 56 8.948 0.800 -0.486 1.00 0.56 N ATOM 823 CA THR A 56 10.061 0.354 -1.384 1.00 0.48 C ATOM 824 C THR A 56 9.812 -1.097 -1.836 1.00 0.47 C ATOM 825 O THR A 56 10.708 -1.925 -1.828 1.00 0.59 O ATOM 826 CB THR A 56 11.403 0.449 -0.637 1.00 0.67 C ATOM 827 OG1 THR A 56 11.431 1.625 0.161 1.00 0.77 O ATOM 828 CG2 THR A 56 12.547 0.494 -1.653 1.00 0.87 C ATOM 0 H THR A 56 8.876 0.294 0.397 1.00 0.56 H new ATOM 0 HA THR A 56 10.097 1.000 -2.261 1.00 0.48 H new ATOM 0 HB THR A 56 11.518 -0.423 0.007 1.00 0.67 H new ATOM 0 HG1 THR A 56 12.287 1.678 0.635 1.00 0.77 H new ATOM 0 HG21 THR A 56 13.499 0.561 -1.126 1.00 0.87 H new ATOM 0 HG22 THR A 56 12.531 -0.412 -2.259 1.00 0.87 H new ATOM 0 HG23 THR A 56 12.427 1.364 -2.298 1.00 0.87 H new ATOM 836 N SER A 57 8.601 -1.406 -2.238 1.00 0.44 N ATOM 837 CA SER A 57 8.286 -2.794 -2.702 1.00 0.45 C ATOM 838 C SER A 57 7.456 -2.738 -3.990 1.00 0.45 C ATOM 839 O SER A 57 6.822 -1.742 -4.293 1.00 0.63 O ATOM 840 CB SER A 57 7.498 -3.538 -1.622 1.00 0.49 C ATOM 841 OG SER A 57 7.651 -4.939 -1.811 1.00 0.94 O ATOM 0 H SER A 57 7.816 -0.755 -2.264 1.00 0.44 H new ATOM 0 HA SER A 57 9.220 -3.321 -2.896 1.00 0.45 H new ATOM 0 HB2 SER A 57 7.855 -3.252 -0.633 1.00 0.49 H new ATOM 0 HB3 SER A 57 6.444 -3.266 -1.672 1.00 0.49 H new ATOM 0 HG SER A 57 7.149 -5.419 -1.120 1.00 0.94 H new ATOM 847 N ALA A 58 7.460 -3.810 -4.743 1.00 0.43 N ATOM 848 CA ALA A 58 6.681 -3.851 -6.017 1.00 0.46 C ATOM 849 C ALA A 58 6.052 -5.239 -6.194 1.00 0.44 C ATOM 850 O ALA A 58 6.443 -6.196 -5.548 1.00 0.48 O ATOM 851 CB ALA A 58 7.618 -3.562 -7.194 1.00 0.57 C ATOM 0 H ALA A 58 7.974 -4.664 -4.527 1.00 0.43 H new ATOM 0 HA ALA A 58 5.892 -3.100 -5.983 1.00 0.46 H new ATOM 0 HB1 ALA A 58 7.052 -3.591 -8.125 1.00 0.57 H new ATOM 0 HB2 ALA A 58 8.063 -2.575 -7.071 1.00 0.57 H new ATOM 0 HB3 ALA A 58 8.406 -4.314 -7.225 1.00 0.57 H new ATOM 857 N ILE A 59 5.080 -5.353 -7.067 1.00 0.46 N ATOM 858 CA ILE A 59 4.422 -6.673 -7.298 1.00 0.46 C ATOM 859 C ILE A 59 4.430 -6.978 -8.799 1.00 0.46 C ATOM 860 O ILE A 59 3.878 -6.238 -9.589 1.00 0.54 O ATOM 861 CB ILE A 59 2.977 -6.623 -6.765 1.00 0.47 C ATOM 862 CG1 ILE A 59 2.997 -6.824 -5.244 1.00 0.52 C ATOM 863 CG2 ILE A 59 2.127 -7.726 -7.412 1.00 0.50 C ATOM 864 CD1 ILE A 59 1.630 -6.464 -4.655 1.00 0.55 C ATOM 0 H ILE A 59 4.715 -4.585 -7.630 1.00 0.46 H new ATOM 0 HA ILE A 59 4.962 -7.460 -6.772 1.00 0.46 H new ATOM 0 HB ILE A 59 2.541 -5.655 -7.011 1.00 0.47 H new ATOM 0 HG12 ILE A 59 3.244 -7.859 -5.008 1.00 0.52 H new ATOM 0 HG13 ILE A 59 3.772 -6.202 -4.796 1.00 0.52 H new ATOM 0 HG21 ILE A 59 1.110 -7.676 -7.024 1.00 0.50 H new ATOM 0 HG22 ILE A 59 2.111 -7.586 -8.493 1.00 0.50 H new ATOM 0 HG23 ILE A 59 2.557 -8.700 -7.179 1.00 0.50 H new ATOM 0 HD11 ILE A 59 1.650 -6.609 -3.575 1.00 0.55 H new ATOM 0 HD12 ILE A 59 1.401 -5.422 -4.878 1.00 0.55 H new ATOM 0 HD13 ILE A 59 0.865 -7.105 -5.093 1.00 0.55 H new ATOM 876 N ILE A 60 5.045 -8.066 -9.195 1.00 0.42 N ATOM 877 CA ILE A 60 5.083 -8.427 -10.648 1.00 0.43 C ATOM 878 C ILE A 60 3.993 -9.469 -10.945 1.00 0.45 C ATOM 879 O ILE A 60 3.374 -10.005 -10.045 1.00 0.49 O ATOM 880 CB ILE A 60 6.462 -8.994 -11.017 1.00 0.46 C ATOM 881 CG1 ILE A 60 6.767 -10.232 -10.164 1.00 0.50 C ATOM 882 CG2 ILE A 60 7.540 -7.932 -10.776 1.00 0.51 C ATOM 883 CD1 ILE A 60 7.159 -11.399 -11.074 1.00 0.66 C ATOM 0 H ILE A 60 5.523 -8.720 -8.575 1.00 0.42 H new ATOM 0 HA ILE A 60 4.902 -7.532 -11.244 1.00 0.43 H new ATOM 0 HB ILE A 60 6.457 -9.276 -12.070 1.00 0.46 H new ATOM 0 HG12 ILE A 60 7.575 -10.015 -9.466 1.00 0.50 H new ATOM 0 HG13 ILE A 60 5.894 -10.500 -9.568 1.00 0.50 H new ATOM 0 HG21 ILE A 60 8.517 -8.339 -11.039 1.00 0.51 H new ATOM 0 HG22 ILE A 60 7.333 -7.057 -11.392 1.00 0.51 H new ATOM 0 HG23 ILE A 60 7.538 -7.644 -9.725 1.00 0.51 H new ATOM 0 HD11 ILE A 60 7.375 -12.278 -10.466 1.00 0.66 H new ATOM 0 HD12 ILE A 60 6.337 -11.622 -11.754 1.00 0.66 H new ATOM 0 HD13 ILE A 60 8.044 -11.130 -11.650 1.00 0.66 H new ATOM 895 N THR A 61 3.753 -9.751 -12.203 1.00 0.48 N ATOM 896 CA THR A 61 2.699 -10.751 -12.567 1.00 0.53 C ATOM 897 C THR A 61 3.360 -12.075 -12.992 1.00 0.58 C ATOM 898 O THR A 61 4.530 -12.115 -13.335 1.00 0.62 O ATOM 899 CB THR A 61 1.846 -10.195 -13.720 1.00 0.57 C ATOM 900 OG1 THR A 61 1.398 -8.886 -13.389 1.00 0.64 O ATOM 901 CG2 THR A 61 0.631 -11.098 -13.957 1.00 0.69 C ATOM 0 H THR A 61 4.242 -9.332 -12.994 1.00 0.48 H new ATOM 0 HA THR A 61 2.061 -10.938 -11.703 1.00 0.53 H new ATOM 0 HB THR A 61 2.452 -10.161 -14.626 1.00 0.57 H new ATOM 0 HG1 THR A 61 0.727 -8.595 -14.041 1.00 0.64 H new ATOM 0 HG21 THR A 61 0.033 -10.696 -14.775 1.00 0.69 H new ATOM 0 HG22 THR A 61 0.969 -12.102 -14.213 1.00 0.69 H new ATOM 0 HG23 THR A 61 0.026 -11.139 -13.051 1.00 0.69 H new ATOM 909 N ASN A 62 2.611 -13.159 -12.963 1.00 0.69 N ATOM 910 CA ASN A 62 3.167 -14.498 -13.355 1.00 0.79 C ATOM 911 C ASN A 62 3.744 -14.453 -14.780 1.00 0.85 C ATOM 912 O ASN A 62 4.630 -15.219 -15.115 1.00 0.94 O ATOM 913 CB ASN A 62 2.050 -15.547 -13.295 1.00 0.89 C ATOM 914 CG ASN A 62 2.651 -16.931 -13.029 1.00 1.16 C ATOM 915 OD1 ASN A 62 2.971 -17.262 -11.906 1.00 1.52 O ATOM 916 ND2 ASN A 62 2.817 -17.760 -14.022 1.00 1.44 N ATOM 0 H ASN A 62 1.631 -13.171 -12.682 1.00 0.69 H new ATOM 0 HA ASN A 62 3.967 -14.760 -12.662 1.00 0.79 H new ATOM 0 HB2 ASN A 62 1.340 -15.291 -12.508 1.00 0.89 H new ATOM 0 HB3 ASN A 62 1.496 -15.555 -14.234 1.00 0.89 H new ATOM 0 HD21 ASN A 62 3.215 -18.684 -13.854 1.00 1.44 H new ATOM 0 HD22 ASN A 62 2.549 -17.484 -14.967 1.00 1.44 H new ATOM 923 N ASP A 63 3.253 -13.569 -15.621 1.00 0.85 N ATOM 924 CA ASP A 63 3.774 -13.481 -17.020 1.00 0.97 C ATOM 925 C ASP A 63 5.103 -12.713 -17.031 1.00 0.95 C ATOM 926 O ASP A 63 6.051 -13.117 -17.681 1.00 1.20 O ATOM 927 CB ASP A 63 2.757 -12.750 -17.904 1.00 1.05 C ATOM 928 CG ASP A 63 1.471 -13.578 -18.005 1.00 1.23 C ATOM 929 OD1 ASP A 63 1.405 -14.432 -18.874 1.00 1.43 O ATOM 930 OD2 ASP A 63 0.573 -13.343 -17.211 1.00 1.36 O ATOM 0 H ASP A 63 2.513 -12.905 -15.395 1.00 0.85 H new ATOM 0 HA ASP A 63 3.934 -14.488 -17.406 1.00 0.97 H new ATOM 0 HB2 ASP A 63 2.537 -11.768 -17.486 1.00 1.05 H new ATOM 0 HB3 ASP A 63 3.175 -12.587 -18.897 1.00 1.05 H new ATOM 935 N GLY A 64 5.178 -11.615 -16.314 1.00 0.78 N ATOM 936 CA GLY A 64 6.443 -10.817 -16.273 1.00 0.80 C ATOM 937 C GLY A 64 6.123 -9.324 -16.400 1.00 0.79 C ATOM 938 O GLY A 64 6.708 -8.626 -17.208 1.00 1.00 O ATOM 0 H GLY A 64 4.414 -11.237 -15.754 1.00 0.78 H new ATOM 0 HA2 GLY A 64 6.972 -11.006 -15.339 1.00 0.80 H new ATOM 0 HA3 GLY A 64 7.104 -11.126 -17.082 1.00 0.80 H new ATOM 942 N VAL A 65 5.203 -8.833 -15.602 1.00 0.66 N ATOM 943 CA VAL A 65 4.838 -7.384 -15.660 1.00 0.68 C ATOM 944 C VAL A 65 5.005 -6.772 -14.264 1.00 0.60 C ATOM 945 O VAL A 65 4.346 -7.172 -13.321 1.00 0.57 O ATOM 946 CB VAL A 65 3.381 -7.234 -16.124 1.00 0.73 C ATOM 947 CG1 VAL A 65 3.048 -5.750 -16.302 1.00 0.79 C ATOM 948 CG2 VAL A 65 3.188 -7.960 -17.461 1.00 0.89 C ATOM 0 H VAL A 65 4.688 -9.378 -14.910 1.00 0.66 H new ATOM 0 HA VAL A 65 5.488 -6.868 -16.367 1.00 0.68 H new ATOM 0 HB VAL A 65 2.720 -7.669 -15.374 1.00 0.73 H new ATOM 0 HG11 VAL A 65 2.014 -5.646 -16.631 1.00 0.79 H new ATOM 0 HG12 VAL A 65 3.181 -5.231 -15.353 1.00 0.79 H new ATOM 0 HG13 VAL A 65 3.712 -5.315 -17.049 1.00 0.79 H new ATOM 0 HG21 VAL A 65 2.154 -7.852 -17.788 1.00 0.89 H new ATOM 0 HG22 VAL A 65 3.852 -7.527 -18.209 1.00 0.89 H new ATOM 0 HG23 VAL A 65 3.421 -9.018 -17.338 1.00 0.89 H new ATOM 958 N GLY A 66 5.890 -5.811 -14.129 1.00 0.61 N ATOM 959 CA GLY A 66 6.127 -5.164 -12.804 1.00 0.58 C ATOM 960 C GLY A 66 4.945 -4.262 -12.448 1.00 0.57 C ATOM 961 O GLY A 66 4.956 -3.074 -12.721 1.00 0.63 O ATOM 0 H GLY A 66 6.462 -5.446 -14.890 1.00 0.61 H new ATOM 0 HA2 GLY A 66 6.259 -5.926 -12.036 1.00 0.58 H new ATOM 0 HA3 GLY A 66 7.046 -4.579 -12.834 1.00 0.58 H new ATOM 965 N VAL A 67 3.933 -4.821 -11.834 1.00 0.53 N ATOM 966 CA VAL A 67 2.735 -4.013 -11.442 1.00 0.55 C ATOM 967 C VAL A 67 3.119 -3.049 -10.312 1.00 0.56 C ATOM 968 O VAL A 67 3.728 -3.437 -9.327 1.00 0.56 O ATOM 969 CB VAL A 67 1.609 -4.941 -10.961 1.00 0.56 C ATOM 970 CG1 VAL A 67 0.314 -4.142 -10.815 1.00 0.66 C ATOM 971 CG2 VAL A 67 1.396 -6.069 -11.976 1.00 0.59 C ATOM 0 H VAL A 67 3.884 -5.809 -11.585 1.00 0.53 H new ATOM 0 HA VAL A 67 2.387 -3.448 -12.306 1.00 0.55 H new ATOM 0 HB VAL A 67 1.886 -5.369 -9.998 1.00 0.56 H new ATOM 0 HG11 VAL A 67 -0.484 -4.802 -10.474 1.00 0.66 H new ATOM 0 HG12 VAL A 67 0.460 -3.343 -10.088 1.00 0.66 H new ATOM 0 HG13 VAL A 67 0.042 -3.711 -11.779 1.00 0.66 H new ATOM 0 HG21 VAL A 67 0.596 -6.724 -11.630 1.00 0.59 H new ATOM 0 HG22 VAL A 67 1.124 -5.643 -12.942 1.00 0.59 H new ATOM 0 HG23 VAL A 67 2.316 -6.644 -12.080 1.00 0.59 H new ATOM 981 N ASN A 68 2.766 -1.794 -10.454 1.00 0.63 N ATOM 982 CA ASN A 68 3.100 -0.782 -9.404 1.00 0.66 C ATOM 983 C ASN A 68 1.806 -0.255 -8.763 1.00 0.67 C ATOM 984 O ASN A 68 0.733 -0.410 -9.318 1.00 0.70 O ATOM 985 CB ASN A 68 3.861 0.380 -10.052 1.00 0.74 C ATOM 986 CG ASN A 68 5.360 0.067 -10.072 1.00 0.86 C ATOM 987 OD1 ASN A 68 5.804 -0.793 -10.807 1.00 1.12 O ATOM 988 ND2 ASN A 68 6.166 0.736 -9.292 1.00 0.97 N ATOM 0 H ASN A 68 2.257 -1.426 -11.258 1.00 0.63 H new ATOM 0 HA ASN A 68 3.718 -1.244 -8.634 1.00 0.66 H new ATOM 0 HB2 ASN A 68 3.500 0.543 -11.068 1.00 0.74 H new ATOM 0 HB3 ASN A 68 3.679 1.301 -9.498 1.00 0.74 H new ATOM 0 HD21 ASN A 68 7.166 0.536 -9.300 1.00 0.97 H new ATOM 0 HD22 ASN A 68 5.795 1.458 -8.674 1.00 0.97 H new ATOM 995 N PRO A 69 1.951 0.361 -7.609 1.00 0.69 N ATOM 996 CA PRO A 69 0.815 0.935 -6.862 1.00 0.74 C ATOM 997 C PRO A 69 0.401 2.284 -7.480 1.00 0.82 C ATOM 998 O PRO A 69 0.488 3.325 -6.851 1.00 0.86 O ATOM 999 CB PRO A 69 1.373 1.110 -5.444 1.00 0.76 C ATOM 1000 CG PRO A 69 2.912 1.173 -5.584 1.00 0.74 C ATOM 1001 CD PRO A 69 3.259 0.537 -6.943 1.00 0.70 C ATOM 0 HA PRO A 69 -0.080 0.313 -6.880 1.00 0.74 H new ATOM 0 HB2 PRO A 69 0.987 2.020 -4.985 1.00 0.76 H new ATOM 0 HB3 PRO A 69 1.075 0.279 -4.804 1.00 0.76 H new ATOM 0 HG2 PRO A 69 3.263 2.204 -5.538 1.00 0.74 H new ATOM 0 HG3 PRO A 69 3.397 0.635 -4.770 1.00 0.74 H new ATOM 0 HD2 PRO A 69 3.919 1.180 -7.526 1.00 0.70 H new ATOM 0 HD3 PRO A 69 3.772 -0.416 -6.817 1.00 0.70 H new ATOM 1009 N ALA A 70 -0.043 2.267 -8.717 1.00 0.87 N ATOM 1010 CA ALA A 70 -0.462 3.534 -9.397 1.00 0.98 C ATOM 1011 C ALA A 70 -1.779 3.324 -10.172 1.00 1.05 C ATOM 1012 O ALA A 70 -2.168 4.158 -10.971 1.00 1.55 O ATOM 1013 CB ALA A 70 0.639 3.966 -10.369 1.00 1.07 C ATOM 0 H ALA A 70 -0.133 1.425 -9.286 1.00 0.87 H new ATOM 0 HA ALA A 70 -0.622 4.305 -8.644 1.00 0.98 H new ATOM 0 HB1 ALA A 70 0.342 4.888 -10.869 1.00 1.07 H new ATOM 0 HB2 ALA A 70 1.565 4.133 -9.819 1.00 1.07 H new ATOM 0 HB3 ALA A 70 0.795 3.184 -11.113 1.00 1.07 H new ATOM 1019 N GLN A 71 -2.469 2.229 -9.937 1.00 0.86 N ATOM 1020 CA GLN A 71 -3.761 1.972 -10.655 1.00 0.87 C ATOM 1021 C GLN A 71 -4.776 1.348 -9.679 1.00 0.82 C ATOM 1022 O GLN A 71 -4.403 0.889 -8.618 1.00 0.78 O ATOM 1023 CB GLN A 71 -3.515 1.021 -11.838 1.00 0.91 C ATOM 1024 CG GLN A 71 -2.789 -0.242 -11.361 1.00 0.97 C ATOM 1025 CD GLN A 71 -1.462 -0.384 -12.111 1.00 0.97 C ATOM 1026 OE1 GLN A 71 -0.471 0.205 -11.733 1.00 1.11 O ATOM 1027 NE2 GLN A 71 -1.401 -1.146 -13.171 1.00 1.10 N ATOM 0 H GLN A 71 -2.192 1.502 -9.278 1.00 0.86 H new ATOM 0 HA GLN A 71 -4.161 2.913 -11.034 1.00 0.87 H new ATOM 0 HB2 GLN A 71 -4.465 0.751 -12.300 1.00 0.91 H new ATOM 0 HB3 GLN A 71 -2.921 1.524 -12.601 1.00 0.91 H new ATOM 0 HG2 GLN A 71 -2.608 -0.186 -10.288 1.00 0.97 H new ATOM 0 HG3 GLN A 71 -3.412 -1.119 -11.534 1.00 0.97 H new ATOM 0 HE21 GLN A 71 -2.233 -1.642 -13.491 1.00 1.10 H new ATOM 0 HE22 GLN A 71 -0.522 -1.244 -13.678 1.00 1.10 H new ATOM 1036 N PRO A 72 -6.036 1.358 -10.067 1.00 0.85 N ATOM 1037 CA PRO A 72 -7.131 0.806 -9.238 1.00 0.83 C ATOM 1038 C PRO A 72 -7.127 -0.730 -9.268 1.00 0.79 C ATOM 1039 O PRO A 72 -6.674 -1.343 -10.218 1.00 0.79 O ATOM 1040 CB PRO A 72 -8.397 1.371 -9.888 1.00 0.92 C ATOM 1041 CG PRO A 72 -8.016 1.738 -11.341 1.00 0.98 C ATOM 1042 CD PRO A 72 -6.486 1.913 -11.364 1.00 0.93 C ATOM 0 HA PRO A 72 -7.043 1.076 -8.186 1.00 0.83 H new ATOM 0 HB2 PRO A 72 -9.203 0.637 -9.871 1.00 0.92 H new ATOM 0 HB3 PRO A 72 -8.753 2.248 -9.347 1.00 0.92 H new ATOM 0 HG2 PRO A 72 -8.327 0.955 -12.033 1.00 0.98 H new ATOM 0 HG3 PRO A 72 -8.516 2.655 -11.653 1.00 0.98 H new ATOM 0 HD2 PRO A 72 -6.037 1.380 -12.202 1.00 0.93 H new ATOM 0 HD3 PRO A 72 -6.207 2.962 -11.467 1.00 0.93 H new ATOM 1050 N ALA A 73 -7.635 -1.348 -8.222 1.00 0.79 N ATOM 1051 CA ALA A 73 -7.675 -2.845 -8.155 1.00 0.77 C ATOM 1052 C ALA A 73 -8.470 -3.407 -9.341 1.00 0.79 C ATOM 1053 O ALA A 73 -8.120 -4.434 -9.894 1.00 0.77 O ATOM 1054 CB ALA A 73 -8.339 -3.280 -6.846 1.00 0.80 C ATOM 0 H ALA A 73 -8.026 -0.874 -7.408 1.00 0.79 H new ATOM 0 HA ALA A 73 -6.656 -3.229 -8.196 1.00 0.77 H new ATOM 0 HB1 ALA A 73 -8.368 -4.369 -6.797 1.00 0.80 H new ATOM 0 HB2 ALA A 73 -7.767 -2.894 -6.002 1.00 0.80 H new ATOM 0 HB3 ALA A 73 -9.355 -2.888 -6.806 1.00 0.80 H new ATOM 1060 N GLY A 74 -9.532 -2.738 -9.738 1.00 0.86 N ATOM 1061 CA GLY A 74 -10.350 -3.222 -10.894 1.00 0.92 C ATOM 1062 C GLY A 74 -9.458 -3.364 -12.133 1.00 0.89 C ATOM 1063 O GLY A 74 -9.527 -4.351 -12.843 1.00 0.91 O ATOM 0 H GLY A 74 -9.865 -1.876 -9.307 1.00 0.86 H new ATOM 0 HA2 GLY A 74 -10.808 -4.181 -10.652 1.00 0.92 H new ATOM 0 HA3 GLY A 74 -11.161 -2.523 -11.096 1.00 0.92 H new ATOM 1067 N ASN A 75 -8.614 -2.388 -12.386 1.00 0.88 N ATOM 1068 CA ASN A 75 -7.699 -2.454 -13.570 1.00 0.87 C ATOM 1069 C ASN A 75 -6.638 -3.542 -13.339 1.00 0.81 C ATOM 1070 O ASN A 75 -6.223 -4.213 -14.266 1.00 0.83 O ATOM 1071 CB ASN A 75 -7.008 -1.099 -13.760 1.00 0.91 C ATOM 1072 CG ASN A 75 -6.765 -0.849 -15.251 1.00 1.09 C ATOM 1073 OD1 ASN A 75 -7.663 -0.451 -15.968 1.00 1.56 O ATOM 1074 ND2 ASN A 75 -5.580 -1.065 -15.751 1.00 1.32 N ATOM 0 H ASN A 75 -8.521 -1.545 -11.819 1.00 0.88 H new ATOM 0 HA ASN A 75 -8.278 -2.694 -14.462 1.00 0.87 H new ATOM 0 HB2 ASN A 75 -7.626 -0.303 -13.344 1.00 0.91 H new ATOM 0 HB3 ASN A 75 -6.061 -1.083 -13.220 1.00 0.91 H new ATOM 0 HD21 ASN A 75 -5.407 -0.900 -16.743 1.00 1.32 H new ATOM 0 HD22 ASN A 75 -4.826 -1.399 -15.150 1.00 1.32 H new ATOM 1081 N ILE A 76 -6.205 -3.719 -12.110 1.00 0.77 N ATOM 1082 CA ILE A 76 -5.174 -4.764 -11.801 1.00 0.73 C ATOM 1083 C ILE A 76 -5.731 -6.151 -12.160 1.00 0.73 C ATOM 1084 O ILE A 76 -5.047 -6.960 -12.755 1.00 0.75 O ATOM 1085 CB ILE A 76 -4.827 -4.714 -10.306 1.00 0.73 C ATOM 1086 CG1 ILE A 76 -4.162 -3.368 -9.978 1.00 0.74 C ATOM 1087 CG2 ILE A 76 -3.878 -5.866 -9.942 1.00 0.74 C ATOM 1088 CD1 ILE A 76 -2.757 -3.307 -10.589 1.00 0.78 C ATOM 0 H ILE A 76 -6.524 -3.181 -11.304 1.00 0.77 H new ATOM 0 HA ILE A 76 -4.273 -4.575 -12.385 1.00 0.73 H new ATOM 0 HB ILE A 76 -5.743 -4.818 -9.725 1.00 0.73 H new ATOM 0 HG12 ILE A 76 -4.770 -2.550 -10.365 1.00 0.74 H new ATOM 0 HG13 ILE A 76 -4.102 -3.238 -8.897 1.00 0.74 H new ATOM 0 HG21 ILE A 76 -3.640 -5.819 -8.879 1.00 0.74 H new ATOM 0 HG22 ILE A 76 -4.360 -6.818 -10.164 1.00 0.74 H new ATOM 0 HG23 ILE A 76 -2.960 -5.779 -10.524 1.00 0.74 H new ATOM 0 HD11 ILE A 76 -2.297 -2.348 -10.349 1.00 0.78 H new ATOM 0 HD12 ILE A 76 -2.148 -4.114 -10.182 1.00 0.78 H new ATOM 0 HD13 ILE A 76 -2.826 -3.416 -11.671 1.00 0.78 H new ATOM 1100 N PHE A 77 -6.966 -6.423 -11.801 1.00 0.74 N ATOM 1101 CA PHE A 77 -7.575 -7.752 -12.119 1.00 0.77 C ATOM 1102 C PHE A 77 -7.899 -7.828 -13.620 1.00 0.82 C ATOM 1103 O PHE A 77 -7.679 -8.844 -14.254 1.00 0.86 O ATOM 1104 CB PHE A 77 -8.859 -7.933 -11.301 1.00 0.81 C ATOM 1105 CG PHE A 77 -9.179 -9.404 -11.165 1.00 0.80 C ATOM 1106 CD1 PHE A 77 -9.946 -10.047 -12.144 1.00 0.97 C ATOM 1107 CD2 PHE A 77 -8.713 -10.126 -10.059 1.00 0.77 C ATOM 1108 CE1 PHE A 77 -10.246 -11.409 -12.018 1.00 1.03 C ATOM 1109 CE2 PHE A 77 -9.014 -11.487 -9.933 1.00 0.82 C ATOM 1110 CZ PHE A 77 -9.780 -12.129 -10.913 1.00 0.92 C ATOM 0 H PHE A 77 -7.578 -5.778 -11.300 1.00 0.74 H new ATOM 0 HA PHE A 77 -6.870 -8.544 -11.866 1.00 0.77 H new ATOM 0 HB2 PHE A 77 -8.738 -7.485 -10.314 1.00 0.81 H new ATOM 0 HB3 PHE A 77 -9.686 -7.415 -11.787 1.00 0.81 H new ATOM 0 HD1 PHE A 77 -10.307 -9.492 -12.997 1.00 0.97 H new ATOM 0 HD2 PHE A 77 -8.121 -9.632 -9.303 1.00 0.77 H new ATOM 0 HE1 PHE A 77 -10.837 -11.904 -12.774 1.00 1.03 H new ATOM 0 HE2 PHE A 77 -8.655 -12.042 -9.079 1.00 0.82 H new ATOM 0 HZ PHE A 77 -10.011 -13.180 -10.816 1.00 0.92 H new ATOM 1120 N LEU A 78 -8.417 -6.760 -14.192 1.00 0.85 N ATOM 1121 CA LEU A 78 -8.756 -6.762 -15.653 1.00 0.91 C ATOM 1122 C LEU A 78 -7.486 -6.977 -16.494 1.00 0.89 C ATOM 1123 O LEU A 78 -7.521 -7.633 -17.518 1.00 0.98 O ATOM 1124 CB LEU A 78 -9.382 -5.415 -16.046 1.00 0.96 C ATOM 1125 CG LEU A 78 -10.839 -5.344 -15.572 1.00 1.03 C ATOM 1126 CD1 LEU A 78 -11.313 -3.889 -15.606 1.00 1.12 C ATOM 1127 CD2 LEU A 78 -11.729 -6.184 -16.495 1.00 1.17 C ATOM 0 H LEU A 78 -8.619 -5.886 -13.706 1.00 0.85 H new ATOM 0 HA LEU A 78 -9.462 -7.571 -15.841 1.00 0.91 H new ATOM 0 HB2 LEU A 78 -8.810 -4.599 -15.606 1.00 0.96 H new ATOM 0 HB3 LEU A 78 -9.338 -5.288 -17.128 1.00 0.96 H new ATOM 0 HG LEU A 78 -10.904 -5.732 -14.555 1.00 1.03 H new ATOM 0 HD11 LEU A 78 -12.348 -3.836 -15.270 1.00 1.12 H new ATOM 0 HD12 LEU A 78 -10.686 -3.287 -14.948 1.00 1.12 H new ATOM 0 HD13 LEU A 78 -11.242 -3.507 -16.624 1.00 1.12 H new ATOM 0 HD21 LEU A 78 -12.762 -6.129 -16.153 1.00 1.17 H new ATOM 0 HD22 LEU A 78 -11.663 -5.799 -17.513 1.00 1.17 H new ATOM 0 HD23 LEU A 78 -11.395 -7.222 -16.477 1.00 1.17 H new ATOM 1139 N LYS A 79 -6.372 -6.408 -16.079 1.00 0.86 N ATOM 1140 CA LYS A 79 -5.101 -6.551 -16.862 1.00 0.89 C ATOM 1141 C LYS A 79 -4.290 -7.763 -16.381 1.00 0.87 C ATOM 1142 O LYS A 79 -3.964 -8.641 -17.158 1.00 0.97 O ATOM 1143 CB LYS A 79 -4.254 -5.280 -16.693 1.00 0.93 C ATOM 1144 CG LYS A 79 -3.556 -4.939 -18.016 1.00 1.35 C ATOM 1145 CD LYS A 79 -2.051 -4.757 -17.788 1.00 1.45 C ATOM 1146 CE LYS A 79 -1.570 -3.517 -18.552 1.00 1.99 C ATOM 1147 NZ LYS A 79 -0.268 -3.049 -17.993 1.00 2.27 N ATOM 0 H LYS A 79 -6.291 -5.850 -15.229 1.00 0.86 H new ATOM 0 HA LYS A 79 -5.358 -6.699 -17.911 1.00 0.89 H new ATOM 0 HB2 LYS A 79 -4.887 -4.449 -16.381 1.00 0.93 H new ATOM 0 HB3 LYS A 79 -3.512 -5.428 -15.908 1.00 0.93 H new ATOM 0 HG2 LYS A 79 -3.728 -5.734 -18.742 1.00 1.35 H new ATOM 0 HG3 LYS A 79 -3.981 -4.027 -18.435 1.00 1.35 H new ATOM 0 HD2 LYS A 79 -1.843 -4.646 -16.724 1.00 1.45 H new ATOM 0 HD3 LYS A 79 -1.510 -5.640 -18.128 1.00 1.45 H new ATOM 0 HE2 LYS A 79 -1.458 -3.752 -19.610 1.00 1.99 H new ATOM 0 HE3 LYS A 79 -2.313 -2.723 -18.479 1.00 1.99 H new ATOM 0 HZ1 LYS A 79 0.052 -2.209 -18.515 1.00 2.27 H new ATOM 0 HZ2 LYS A 79 -0.388 -2.807 -16.989 1.00 2.27 H new ATOM 0 HZ3 LYS A 79 0.441 -3.804 -18.085 1.00 2.27 H new ATOM 1161 N HIS A 80 -3.939 -7.803 -15.116 1.00 0.85 N ATOM 1162 CA HIS A 80 -3.118 -8.941 -14.590 1.00 0.88 C ATOM 1163 C HIS A 80 -4.021 -10.091 -14.124 1.00 0.89 C ATOM 1164 O HIS A 80 -3.883 -11.212 -14.579 1.00 1.07 O ATOM 1165 CB HIS A 80 -2.257 -8.451 -13.416 1.00 0.86 C ATOM 1166 CG HIS A 80 -1.602 -7.143 -13.781 1.00 0.88 C ATOM 1167 ND1 HIS A 80 -0.642 -7.047 -14.777 1.00 0.98 N ATOM 1168 CD2 HIS A 80 -1.774 -5.867 -13.302 1.00 0.89 C ATOM 1169 CE1 HIS A 80 -0.279 -5.754 -14.867 1.00 1.02 C ATOM 1170 NE2 HIS A 80 -0.939 -4.992 -13.990 1.00 0.97 N ATOM 0 H HIS A 80 -4.186 -7.095 -14.425 1.00 0.85 H new ATOM 0 HA HIS A 80 -2.475 -9.308 -15.390 1.00 0.88 H new ATOM 0 HB2 HIS A 80 -2.875 -8.324 -12.527 1.00 0.86 H new ATOM 0 HB3 HIS A 80 -1.498 -9.194 -13.174 1.00 0.86 H new ATOM 0 HD2 HIS A 80 -2.454 -5.586 -12.512 1.00 0.89 H new ATOM 0 HE1 HIS A 80 0.456 -5.378 -15.563 1.00 1.02 H new ATOM 0 HE2 HIS A 80 -0.850 -3.985 -13.854 1.00 0.97 H new ATOM 1178 N GLY A 81 -4.935 -9.824 -13.219 1.00 0.81 N ATOM 1179 CA GLY A 81 -5.845 -10.902 -12.716 1.00 0.85 C ATOM 1180 C GLY A 81 -5.564 -11.161 -11.232 1.00 0.78 C ATOM 1181 O GLY A 81 -5.562 -10.248 -10.426 1.00 0.86 O ATOM 0 H GLY A 81 -5.089 -8.904 -12.807 1.00 0.81 H new ATOM 0 HA2 GLY A 81 -6.885 -10.607 -12.853 1.00 0.85 H new ATOM 0 HA3 GLY A 81 -5.694 -11.816 -13.290 1.00 0.85 H new ATOM 1185 N SER A 82 -5.331 -12.402 -10.869 1.00 0.75 N ATOM 1186 CA SER A 82 -5.051 -12.738 -9.437 1.00 0.72 C ATOM 1187 C SER A 82 -3.615 -13.263 -9.291 1.00 0.64 C ATOM 1188 O SER A 82 -2.927 -12.930 -8.344 1.00 0.67 O ATOM 1189 CB SER A 82 -6.037 -13.807 -8.958 1.00 0.80 C ATOM 1190 OG SER A 82 -6.287 -13.625 -7.569 1.00 0.79 O ATOM 0 H SER A 82 -5.323 -13.198 -11.506 1.00 0.75 H new ATOM 0 HA SER A 82 -5.166 -11.839 -8.832 1.00 0.72 H new ATOM 0 HB2 SER A 82 -6.969 -13.737 -9.519 1.00 0.80 H new ATOM 0 HB3 SER A 82 -5.630 -14.802 -9.139 1.00 0.80 H new ATOM 0 HG SER A 82 -6.713 -12.754 -7.425 1.00 0.79 H new ATOM 1196 N GLU A 83 -3.162 -14.083 -10.217 1.00 0.64 N ATOM 1197 CA GLU A 83 -1.772 -14.638 -10.136 1.00 0.60 C ATOM 1198 C GLU A 83 -0.752 -13.492 -10.142 1.00 0.55 C ATOM 1199 O GLU A 83 -0.495 -12.881 -11.165 1.00 0.60 O ATOM 1200 CB GLU A 83 -1.517 -15.562 -11.335 1.00 0.67 C ATOM 1201 CG GLU A 83 -1.804 -17.013 -10.937 1.00 0.76 C ATOM 1202 CD GLU A 83 -0.550 -17.636 -10.316 1.00 0.74 C ATOM 1203 OE1 GLU A 83 -0.397 -17.537 -9.109 1.00 0.85 O ATOM 1204 OE2 GLU A 83 0.237 -18.203 -11.058 1.00 0.93 O ATOM 0 H GLU A 83 -3.700 -14.391 -11.027 1.00 0.64 H new ATOM 0 HA GLU A 83 -1.666 -15.206 -9.212 1.00 0.60 H new ATOM 0 HB2 GLU A 83 -2.152 -15.272 -12.172 1.00 0.67 H new ATOM 0 HB3 GLU A 83 -0.484 -15.464 -11.669 1.00 0.67 H new ATOM 0 HG2 GLU A 83 -2.630 -17.049 -10.226 1.00 0.76 H new ATOM 0 HG3 GLU A 83 -2.111 -17.586 -11.812 1.00 0.76 H new ATOM 1211 N LEU A 84 -0.176 -13.200 -8.999 1.00 0.50 N ATOM 1212 CA LEU A 84 0.827 -12.093 -8.911 1.00 0.49 C ATOM 1213 C LEU A 84 2.008 -12.525 -8.025 1.00 0.44 C ATOM 1214 O LEU A 84 1.965 -13.550 -7.366 1.00 0.43 O ATOM 1215 CB LEU A 84 0.161 -10.849 -8.313 1.00 0.52 C ATOM 1216 CG LEU A 84 -0.739 -10.192 -9.366 1.00 0.63 C ATOM 1217 CD1 LEU A 84 -1.950 -9.552 -8.681 1.00 0.84 C ATOM 1218 CD2 LEU A 84 0.051 -9.115 -10.116 1.00 0.72 C ATOM 0 H LEU A 84 -0.359 -13.684 -8.120 1.00 0.50 H new ATOM 0 HA LEU A 84 1.198 -11.863 -9.910 1.00 0.49 H new ATOM 0 HB2 LEU A 84 -0.427 -11.124 -7.438 1.00 0.52 H new ATOM 0 HB3 LEU A 84 0.921 -10.143 -7.977 1.00 0.52 H new ATOM 0 HG LEU A 84 -1.080 -10.950 -10.071 1.00 0.63 H new ATOM 0 HD11 LEU A 84 -2.588 -9.086 -9.432 1.00 0.84 H new ATOM 0 HD12 LEU A 84 -2.515 -10.318 -8.150 1.00 0.84 H new ATOM 0 HD13 LEU A 84 -1.610 -8.796 -7.973 1.00 0.84 H new ATOM 0 HD21 LEU A 84 -0.590 -8.649 -10.864 1.00 0.72 H new ATOM 0 HD22 LEU A 84 0.395 -8.359 -9.411 1.00 0.72 H new ATOM 0 HD23 LEU A 84 0.911 -9.570 -10.608 1.00 0.72 H new ATOM 1230 N ARG A 85 3.064 -11.745 -8.019 1.00 0.47 N ATOM 1231 CA ARG A 85 4.268 -12.086 -7.196 1.00 0.47 C ATOM 1232 C ARG A 85 4.746 -10.839 -6.435 1.00 0.45 C ATOM 1233 O ARG A 85 4.596 -9.725 -6.901 1.00 0.51 O ATOM 1234 CB ARG A 85 5.384 -12.573 -8.126 1.00 0.52 C ATOM 1235 CG ARG A 85 5.287 -14.091 -8.307 1.00 0.50 C ATOM 1236 CD ARG A 85 4.764 -14.403 -9.712 1.00 0.84 C ATOM 1237 NE ARG A 85 4.543 -15.872 -9.850 1.00 0.70 N ATOM 1238 CZ ARG A 85 3.620 -16.469 -9.137 1.00 1.15 C ATOM 1239 NH1 ARG A 85 2.364 -16.121 -9.264 1.00 1.71 N ATOM 1240 NH2 ARG A 85 3.956 -17.416 -8.298 1.00 1.51 N ATOM 0 H ARG A 85 3.143 -10.880 -8.554 1.00 0.47 H new ATOM 0 HA ARG A 85 4.013 -12.867 -6.480 1.00 0.47 H new ATOM 0 HB2 ARG A 85 5.305 -12.077 -9.093 1.00 0.52 H new ATOM 0 HB3 ARG A 85 6.357 -12.309 -7.711 1.00 0.52 H new ATOM 0 HG2 ARG A 85 6.265 -14.549 -8.161 1.00 0.50 H new ATOM 0 HG3 ARG A 85 4.621 -14.516 -7.556 1.00 0.50 H new ATOM 0 HD2 ARG A 85 3.832 -13.867 -9.891 1.00 0.84 H new ATOM 0 HD3 ARG A 85 5.478 -14.061 -10.461 1.00 0.84 H new ATOM 0 HE ARG A 85 5.112 -16.413 -10.501 1.00 0.70 H new ATOM 0 HH11 ARG A 85 2.103 -15.384 -9.919 1.00 1.71 H new ATOM 0 HH12 ARG A 85 1.647 -16.587 -8.708 1.00 1.71 H new ATOM 0 HH21 ARG A 85 4.934 -17.687 -8.201 1.00 1.51 H new ATOM 0 HH22 ARG A 85 3.239 -17.882 -7.742 1.00 1.51 H new ATOM 1254 N LEU A 86 5.327 -11.023 -5.270 1.00 0.46 N ATOM 1255 CA LEU A 86 5.824 -9.856 -4.477 1.00 0.46 C ATOM 1256 C LEU A 86 7.351 -9.787 -4.561 1.00 0.46 C ATOM 1257 O LEU A 86 8.047 -10.703 -4.157 1.00 0.61 O ATOM 1258 CB LEU A 86 5.406 -9.998 -3.009 1.00 0.53 C ATOM 1259 CG LEU A 86 5.439 -8.622 -2.336 1.00 0.64 C ATOM 1260 CD1 LEU A 86 4.046 -8.270 -1.809 1.00 0.73 C ATOM 1261 CD2 LEU A 86 6.433 -8.645 -1.173 1.00 0.82 C ATOM 0 H LEU A 86 5.477 -11.934 -4.836 1.00 0.46 H new ATOM 0 HA LEU A 86 5.391 -8.944 -4.888 1.00 0.46 H new ATOM 0 HB2 LEU A 86 4.404 -10.423 -2.944 1.00 0.53 H new ATOM 0 HB3 LEU A 86 6.078 -10.684 -2.493 1.00 0.53 H new ATOM 0 HG LEU A 86 5.748 -7.873 -3.065 1.00 0.64 H new ATOM 0 HD11 LEU A 86 4.074 -7.291 -1.331 1.00 0.73 H new ATOM 0 HD12 LEU A 86 3.338 -8.249 -2.638 1.00 0.73 H new ATOM 0 HD13 LEU A 86 3.732 -9.019 -1.082 1.00 0.73 H new ATOM 0 HD21 LEU A 86 6.456 -7.666 -0.695 1.00 0.82 H new ATOM 0 HD22 LEU A 86 6.125 -9.397 -0.446 1.00 0.82 H new ATOM 0 HD23 LEU A 86 7.427 -8.889 -1.549 1.00 0.82 H new ATOM 1273 N ILE A 87 7.871 -8.701 -5.076 1.00 0.48 N ATOM 1274 CA ILE A 87 9.353 -8.544 -5.188 1.00 0.51 C ATOM 1275 C ILE A 87 9.784 -7.276 -4.428 1.00 0.46 C ATOM 1276 O ILE A 87 9.227 -6.214 -4.635 1.00 0.44 O ATOM 1277 CB ILE A 87 9.753 -8.439 -6.672 1.00 0.57 C ATOM 1278 CG1 ILE A 87 11.255 -8.144 -6.783 1.00 0.64 C ATOM 1279 CG2 ILE A 87 8.961 -7.320 -7.359 1.00 0.58 C ATOM 1280 CD1 ILE A 87 11.757 -8.547 -8.172 1.00 0.77 C ATOM 0 H ILE A 87 7.328 -7.911 -5.426 1.00 0.48 H new ATOM 0 HA ILE A 87 9.851 -9.411 -4.753 1.00 0.51 H new ATOM 0 HB ILE A 87 9.528 -9.386 -7.163 1.00 0.57 H new ATOM 0 HG12 ILE A 87 11.441 -7.084 -6.612 1.00 0.64 H new ATOM 0 HG13 ILE A 87 11.801 -8.692 -6.015 1.00 0.64 H new ATOM 0 HG21 ILE A 87 9.254 -7.257 -8.407 1.00 0.58 H new ATOM 0 HG22 ILE A 87 7.895 -7.535 -7.293 1.00 0.58 H new ATOM 0 HG23 ILE A 87 9.171 -6.371 -6.866 1.00 0.58 H new ATOM 0 HD11 ILE A 87 12.824 -8.337 -8.249 1.00 0.77 H new ATOM 0 HD12 ILE A 87 11.585 -9.612 -8.326 1.00 0.77 H new ATOM 0 HD13 ILE A 87 11.220 -7.979 -8.932 1.00 0.77 H new ATOM 1292 N PRO A 88 10.765 -7.430 -3.564 1.00 0.50 N ATOM 1293 CA PRO A 88 11.292 -6.313 -2.754 1.00 0.49 C ATOM 1294 C PRO A 88 12.179 -5.400 -3.608 1.00 0.46 C ATOM 1295 O PRO A 88 13.141 -5.842 -4.213 1.00 0.67 O ATOM 1296 CB PRO A 88 12.106 -7.012 -1.660 1.00 0.61 C ATOM 1297 CG PRO A 88 12.466 -8.411 -2.211 1.00 0.68 C ATOM 1298 CD PRO A 88 11.443 -8.723 -3.319 1.00 0.61 C ATOM 0 HA PRO A 88 10.510 -5.672 -2.347 1.00 0.49 H new ATOM 0 HB2 PRO A 88 13.006 -6.445 -1.423 1.00 0.61 H new ATOM 0 HB3 PRO A 88 11.529 -7.094 -0.739 1.00 0.61 H new ATOM 0 HG2 PRO A 88 13.482 -8.422 -2.607 1.00 0.68 H new ATOM 0 HG3 PRO A 88 12.423 -9.161 -1.422 1.00 0.68 H new ATOM 0 HD2 PRO A 88 11.933 -9.093 -4.220 1.00 0.61 H new ATOM 0 HD3 PRO A 88 10.736 -9.490 -3.003 1.00 0.61 H new