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 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 82 SER OG : rot 74:sc= 0.518 USER MOD Set 2.1: A 15 THR OG1 : rot -76:sc= 0.63 USER MOD Set 2.2: A 32 SER OG : rot 180:sc= 0.57 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 148:sc= 0.39 (180deg=0.0599) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot -61:sc= 0.504 USER MOD Single : A 40 THR OG1 : rot 180:sc= -0.226 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 161:sc= -1.42 USER MOD Single : A 61 THR OG1 : rot 170:sc= 0.0749 USER MOD Single : A 62 ASN : amide:sc= -0.551 K(o=-0.55,f=-1.2) USER MOD Single : A 68 ASN : amide:sc= -0.0326 X(o=-0.033,f=0.014) USER MOD Single : A 71 GLN : amide:sc= -0.0136 K(o=-0.014,f=-0.65) 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 80 HIS : no HD1:sc= -2.18! C(o=-2.2!,f=-3.1!) USER MOD ----------------------------------------------------------------- ATOM 135 N LYS A 13 -16.117 -7.712 -6.102 1.00 0.47 N ATOM 136 CA LYS A 13 -14.754 -7.330 -5.617 1.00 0.48 C ATOM 137 C LYS A 13 -13.694 -8.125 -6.396 1.00 0.45 C ATOM 138 O LYS A 13 -13.988 -9.139 -7.006 1.00 0.54 O ATOM 139 CB LYS A 13 -14.627 -7.643 -4.120 1.00 0.57 C ATOM 140 CG LYS A 13 -15.656 -6.826 -3.328 1.00 0.74 C ATOM 141 CD LYS A 13 -15.053 -6.403 -1.984 1.00 1.00 C ATOM 142 CE LYS A 13 -15.667 -7.237 -0.855 1.00 0.99 C ATOM 143 NZ LYS A 13 -14.626 -7.525 0.173 1.00 1.67 N ATOM 0 HA LYS A 13 -14.603 -6.262 -5.775 1.00 0.48 H new ATOM 0 HB2 LYS A 13 -14.784 -8.708 -3.947 1.00 0.57 H new ATOM 0 HB3 LYS A 13 -13.620 -7.409 -3.775 1.00 0.57 H new ATOM 0 HG2 LYS A 13 -15.953 -5.946 -3.898 1.00 0.74 H new ATOM 0 HG3 LYS A 13 -16.557 -7.418 -3.164 1.00 0.74 H new ATOM 0 HD2 LYS A 13 -13.972 -6.538 -2.002 1.00 1.00 H new ATOM 0 HD3 LYS A 13 -15.239 -5.343 -1.809 1.00 1.00 H new ATOM 0 HE2 LYS A 13 -16.501 -6.699 -0.403 1.00 0.99 H new ATOM 0 HE3 LYS A 13 -16.068 -8.169 -1.253 1.00 0.99 H new ATOM 0 HZ1 LYS A 13 -15.042 -8.091 0.940 1.00 1.67 H new ATOM 0 HZ2 LYS A 13 -13.844 -8.055 -0.263 1.00 1.67 H new ATOM 0 HZ3 LYS A 13 -14.264 -6.630 0.561 1.00 1.67 H new ATOM 157 N VAL A 14 -12.465 -7.668 -6.376 1.00 0.40 N ATOM 158 CA VAL A 14 -11.372 -8.384 -7.110 1.00 0.40 C ATOM 159 C VAL A 14 -10.380 -8.988 -6.103 1.00 0.37 C ATOM 160 O VAL A 14 -9.930 -8.325 -5.184 1.00 0.44 O ATOM 161 CB VAL A 14 -10.635 -7.408 -8.043 1.00 0.43 C ATOM 162 CG1 VAL A 14 -11.529 -7.068 -9.238 1.00 0.50 C ATOM 163 CG2 VAL A 14 -10.287 -6.118 -7.291 1.00 0.46 C ATOM 0 H VAL A 14 -12.170 -6.826 -5.881 1.00 0.40 H new ATOM 0 HA VAL A 14 -11.811 -9.183 -7.708 1.00 0.40 H new ATOM 0 HB VAL A 14 -9.716 -7.880 -8.391 1.00 0.43 H new ATOM 0 HG11 VAL A 14 -11.006 -6.376 -9.899 1.00 0.50 H new ATOM 0 HG12 VAL A 14 -11.769 -7.980 -9.784 1.00 0.50 H new ATOM 0 HG13 VAL A 14 -12.450 -6.605 -8.883 1.00 0.50 H new ATOM 0 HG21 VAL A 14 -9.766 -5.435 -7.962 1.00 0.46 H new ATOM 0 HG22 VAL A 14 -11.203 -5.647 -6.934 1.00 0.46 H new ATOM 0 HG23 VAL A 14 -9.645 -6.354 -6.442 1.00 0.46 H new ATOM 173 N THR A 15 -10.042 -10.247 -6.273 1.00 0.37 N ATOM 174 CA THR A 15 -9.082 -10.916 -5.338 1.00 0.37 C ATOM 175 C THR A 15 -7.707 -11.029 -6.010 1.00 0.34 C ATOM 176 O THR A 15 -7.608 -11.258 -7.203 1.00 0.45 O ATOM 177 CB THR A 15 -9.601 -12.318 -4.988 1.00 0.46 C ATOM 178 OG1 THR A 15 -10.957 -12.231 -4.567 1.00 0.58 O ATOM 179 CG2 THR A 15 -8.758 -12.921 -3.862 1.00 0.54 C ATOM 0 H THR A 15 -10.393 -10.841 -7.024 1.00 0.37 H new ATOM 0 HA THR A 15 -8.991 -10.326 -4.426 1.00 0.37 H new ATOM 0 HB THR A 15 -9.530 -12.955 -5.870 1.00 0.46 H new ATOM 0 HG1 THR A 15 -10.993 -11.886 -3.651 1.00 0.58 H new ATOM 0 HG21 THR A 15 -9.133 -13.915 -3.620 1.00 0.54 H new ATOM 0 HG22 THR A 15 -7.719 -12.993 -4.184 1.00 0.54 H new ATOM 0 HG23 THR A 15 -8.821 -12.284 -2.979 1.00 0.54 H new ATOM 187 N PHE A 16 -6.647 -10.867 -5.251 1.00 0.34 N ATOM 188 CA PHE A 16 -5.272 -10.958 -5.838 1.00 0.32 C ATOM 189 C PHE A 16 -4.421 -11.944 -5.028 1.00 0.32 C ATOM 190 O PHE A 16 -4.458 -11.957 -3.811 1.00 0.45 O ATOM 191 CB PHE A 16 -4.607 -9.576 -5.811 1.00 0.39 C ATOM 192 CG PHE A 16 -5.501 -8.564 -6.494 1.00 0.40 C ATOM 193 CD1 PHE A 16 -5.650 -8.588 -7.886 1.00 0.45 C ATOM 194 CD2 PHE A 16 -6.180 -7.604 -5.734 1.00 0.50 C ATOM 195 CE1 PHE A 16 -6.479 -7.653 -8.517 1.00 0.54 C ATOM 196 CE2 PHE A 16 -7.007 -6.669 -6.365 1.00 0.58 C ATOM 197 CZ PHE A 16 -7.157 -6.693 -7.756 1.00 0.57 C ATOM 0 H PHE A 16 -6.676 -10.676 -4.250 1.00 0.34 H new ATOM 0 HA PHE A 16 -5.349 -11.308 -6.867 1.00 0.32 H new ATOM 0 HB2 PHE A 16 -4.419 -9.273 -4.781 1.00 0.39 H new ATOM 0 HB3 PHE A 16 -3.640 -9.618 -6.312 1.00 0.39 H new ATOM 0 HD1 PHE A 16 -5.126 -9.328 -8.473 1.00 0.45 H new ATOM 0 HD2 PHE A 16 -6.065 -7.585 -4.660 1.00 0.50 H new ATOM 0 HE1 PHE A 16 -6.596 -7.672 -9.591 1.00 0.54 H new ATOM 0 HE2 PHE A 16 -7.530 -5.928 -5.778 1.00 0.58 H new ATOM 0 HZ PHE A 16 -7.796 -5.971 -8.243 1.00 0.57 H new ATOM 207 N LYS A 17 -3.646 -12.760 -5.703 1.00 0.31 N ATOM 208 CA LYS A 17 -2.774 -13.744 -4.993 1.00 0.35 C ATOM 209 C LYS A 17 -1.309 -13.341 -5.190 1.00 0.36 C ATOM 210 O LYS A 17 -0.736 -13.550 -6.245 1.00 0.45 O ATOM 211 CB LYS A 17 -3.008 -15.148 -5.562 1.00 0.41 C ATOM 212 CG LYS A 17 -4.050 -15.878 -4.713 1.00 0.65 C ATOM 213 CD LYS A 17 -4.778 -16.914 -5.577 1.00 0.90 C ATOM 214 CE LYS A 17 -6.180 -17.165 -5.011 1.00 1.28 C ATOM 215 NZ LYS A 17 -7.200 -16.899 -6.068 1.00 1.98 N ATOM 0 H LYS A 17 -3.581 -12.785 -6.721 1.00 0.31 H new ATOM 0 HA LYS A 17 -3.014 -13.750 -3.930 1.00 0.35 H new ATOM 0 HB2 LYS A 17 -3.348 -15.081 -6.595 1.00 0.41 H new ATOM 0 HB3 LYS A 17 -2.073 -15.709 -5.570 1.00 0.41 H new ATOM 0 HG2 LYS A 17 -3.567 -16.368 -3.868 1.00 0.65 H new ATOM 0 HG3 LYS A 17 -4.764 -15.165 -4.302 1.00 0.65 H new ATOM 0 HD2 LYS A 17 -4.849 -16.559 -6.605 1.00 0.90 H new ATOM 0 HD3 LYS A 17 -4.212 -17.845 -5.599 1.00 0.90 H new ATOM 0 HE2 LYS A 17 -6.263 -18.194 -4.661 1.00 1.28 H new ATOM 0 HE3 LYS A 17 -6.357 -16.520 -4.150 1.00 1.28 H new ATOM 0 HZ1 LYS A 17 -8.151 -17.069 -5.683 1.00 1.98 H new ATOM 0 HZ2 LYS A 17 -7.125 -15.910 -6.381 1.00 1.98 H new ATOM 0 HZ3 LYS A 17 -7.035 -17.532 -6.877 1.00 1.98 H new ATOM 229 N ILE A 18 -0.706 -12.753 -4.186 1.00 0.34 N ATOM 230 CA ILE A 18 0.719 -12.317 -4.306 1.00 0.36 C ATOM 231 C ILE A 18 1.631 -13.307 -3.571 1.00 0.36 C ATOM 232 O ILE A 18 1.493 -13.523 -2.381 1.00 0.45 O ATOM 233 CB ILE A 18 0.877 -10.918 -3.695 1.00 0.41 C ATOM 234 CG1 ILE A 18 -0.078 -9.939 -4.393 1.00 0.49 C ATOM 235 CG2 ILE A 18 2.317 -10.434 -3.876 1.00 0.52 C ATOM 236 CD1 ILE A 18 -1.152 -9.479 -3.405 1.00 0.64 C ATOM 0 H ILE A 18 -1.142 -12.556 -3.285 1.00 0.34 H new ATOM 0 HA ILE A 18 1.000 -12.289 -5.359 1.00 0.36 H new ATOM 0 HB ILE A 18 0.640 -10.964 -2.632 1.00 0.41 H new ATOM 0 HG12 ILE A 18 0.477 -9.079 -4.769 1.00 0.49 H new ATOM 0 HG13 ILE A 18 -0.543 -10.420 -5.254 1.00 0.49 H new ATOM 0 HG21 ILE A 18 2.424 -9.440 -3.441 1.00 0.52 H new ATOM 0 HG22 ILE A 18 2.998 -11.124 -3.378 1.00 0.52 H new ATOM 0 HG23 ILE A 18 2.556 -10.392 -4.939 1.00 0.52 H new ATOM 0 HD11 ILE A 18 -1.829 -8.784 -3.901 1.00 0.64 H new ATOM 0 HD12 ILE A 18 -1.714 -10.343 -3.050 1.00 0.64 H new ATOM 0 HD13 ILE A 18 -0.679 -8.982 -2.558 1.00 0.64 H new ATOM 248 N THR A 19 2.565 -13.901 -4.275 1.00 0.42 N ATOM 249 CA THR A 19 3.506 -14.872 -3.632 1.00 0.46 C ATOM 250 C THR A 19 4.905 -14.245 -3.581 1.00 0.49 C ATOM 251 O THR A 19 5.413 -13.769 -4.580 1.00 0.58 O ATOM 252 CB THR A 19 3.559 -16.170 -4.451 1.00 0.62 C ATOM 253 OG1 THR A 19 2.237 -16.605 -4.746 1.00 0.70 O ATOM 254 CG2 THR A 19 4.287 -17.255 -3.652 1.00 0.71 C ATOM 0 H THR A 19 2.716 -13.754 -5.273 1.00 0.42 H new ATOM 0 HA THR A 19 3.161 -15.102 -2.624 1.00 0.46 H new ATOM 0 HB THR A 19 4.095 -15.984 -5.382 1.00 0.62 H new ATOM 0 HG1 THR A 19 2.274 -17.432 -5.270 1.00 0.70 H new ATOM 0 HG21 THR A 19 4.323 -18.175 -4.236 1.00 0.71 H new ATOM 0 HG22 THR A 19 5.302 -16.925 -3.432 1.00 0.71 H new ATOM 0 HG23 THR A 19 3.755 -17.438 -2.719 1.00 0.71 H new ATOM 407 N LYS A 29 -0.145 -14.645 -0.387 1.00 0.53 N ATOM 408 CA LYS A 29 -1.147 -13.868 0.409 1.00 0.54 C ATOM 409 C LYS A 29 -2.363 -13.546 -0.468 1.00 0.47 C ATOM 410 O LYS A 29 -2.228 -13.082 -1.587 1.00 0.54 O ATOM 411 CB LYS A 29 -0.509 -12.562 0.898 1.00 0.62 C ATOM 412 CG LYS A 29 -0.862 -12.334 2.372 1.00 0.79 C ATOM 413 CD LYS A 29 -1.366 -10.901 2.569 1.00 0.84 C ATOM 414 CE LYS A 29 -2.804 -10.779 2.054 1.00 1.10 C ATOM 415 NZ LYS A 29 -3.660 -10.149 3.098 1.00 1.03 N ATOM 0 HA LYS A 29 -1.466 -14.461 1.266 1.00 0.54 H new ATOM 0 HB2 LYS A 29 0.573 -12.607 0.776 1.00 0.62 H new ATOM 0 HB3 LYS A 29 -0.863 -11.725 0.296 1.00 0.62 H new ATOM 0 HG2 LYS A 29 -1.626 -13.045 2.687 1.00 0.79 H new ATOM 0 HG3 LYS A 29 0.014 -12.510 2.997 1.00 0.79 H new ATOM 0 HD2 LYS A 29 -1.325 -10.634 3.625 1.00 0.84 H new ATOM 0 HD3 LYS A 29 -0.720 -10.202 2.038 1.00 0.84 H new ATOM 0 HE2 LYS A 29 -2.825 -10.180 1.143 1.00 1.10 H new ATOM 0 HE3 LYS A 29 -3.193 -11.764 1.797 1.00 1.10 H new ATOM 0 HZ1 LYS A 29 -4.408 -9.588 2.642 1.00 1.03 H new ATOM 0 HZ2 LYS A 29 -4.092 -10.890 3.686 1.00 1.03 H new ATOM 0 HZ3 LYS A 29 -3.078 -9.528 3.696 1.00 1.03 H new ATOM 429 N VAL A 30 -3.549 -13.790 0.038 1.00 0.44 N ATOM 430 CA VAL A 30 -4.789 -13.503 -0.750 1.00 0.43 C ATOM 431 C VAL A 30 -5.372 -12.154 -0.306 1.00 0.39 C ATOM 432 O VAL A 30 -5.669 -11.950 0.858 1.00 0.52 O ATOM 433 CB VAL A 30 -5.821 -14.615 -0.510 1.00 0.51 C ATOM 434 CG1 VAL A 30 -7.044 -14.383 -1.400 1.00 0.62 C ATOM 435 CG2 VAL A 30 -5.204 -15.975 -0.849 1.00 0.61 C ATOM 0 H VAL A 30 -3.711 -14.177 0.967 1.00 0.44 H new ATOM 0 HA VAL A 30 -4.545 -13.463 -1.812 1.00 0.43 H new ATOM 0 HB VAL A 30 -6.122 -14.601 0.538 1.00 0.51 H new ATOM 0 HG11 VAL A 30 -7.775 -15.173 -1.228 1.00 0.62 H new ATOM 0 HG12 VAL A 30 -7.490 -13.418 -1.161 1.00 0.62 H new ATOM 0 HG13 VAL A 30 -6.739 -14.392 -2.447 1.00 0.62 H new ATOM 0 HG21 VAL A 30 -5.939 -16.761 -0.677 1.00 0.61 H new ATOM 0 HG22 VAL A 30 -4.899 -15.986 -1.895 1.00 0.61 H new ATOM 0 HG23 VAL A 30 -4.334 -16.148 -0.216 1.00 0.61 H new ATOM 445 N LEU A 31 -5.534 -11.234 -1.230 1.00 0.36 N ATOM 446 CA LEU A 31 -6.094 -9.893 -0.879 1.00 0.36 C ATOM 447 C LEU A 31 -7.443 -9.704 -1.586 1.00 0.35 C ATOM 448 O LEU A 31 -7.503 -9.513 -2.788 1.00 0.39 O ATOM 449 CB LEU A 31 -5.116 -8.796 -1.321 1.00 0.43 C ATOM 450 CG LEU A 31 -4.699 -7.958 -0.108 1.00 0.48 C ATOM 451 CD1 LEU A 31 -3.184 -7.737 -0.131 1.00 0.68 C ATOM 452 CD2 LEU A 31 -5.412 -6.604 -0.153 1.00 0.66 C ATOM 0 H LEU A 31 -5.301 -11.358 -2.215 1.00 0.36 H new ATOM 0 HA LEU A 31 -6.240 -9.828 0.199 1.00 0.36 H new ATOM 0 HB2 LEU A 31 -4.237 -9.244 -1.785 1.00 0.43 H new ATOM 0 HB3 LEU A 31 -5.584 -8.159 -2.072 1.00 0.43 H new ATOM 0 HG LEU A 31 -4.974 -8.485 0.806 1.00 0.48 H new ATOM 0 HD11 LEU A 31 -2.890 -7.141 0.733 1.00 0.68 H new ATOM 0 HD12 LEU A 31 -2.675 -8.700 -0.097 1.00 0.68 H new ATOM 0 HD13 LEU A 31 -2.907 -7.212 -1.045 1.00 0.68 H new ATOM 0 HD21 LEU A 31 -5.115 -6.008 0.710 1.00 0.66 H new ATOM 0 HD22 LEU A 31 -5.138 -6.079 -1.068 1.00 0.66 H new ATOM 0 HD23 LEU A 31 -6.491 -6.760 -0.133 1.00 0.66 H new ATOM 464 N SER A 32 -8.524 -9.757 -0.842 1.00 0.39 N ATOM 465 CA SER A 32 -9.877 -9.583 -1.454 1.00 0.43 C ATOM 466 C SER A 32 -10.378 -8.156 -1.192 1.00 0.45 C ATOM 467 O SER A 32 -10.796 -7.825 -0.095 1.00 0.56 O ATOM 468 CB SER A 32 -10.851 -10.597 -0.845 1.00 0.52 C ATOM 469 OG SER A 32 -11.569 -11.244 -1.888 1.00 0.89 O ATOM 0 H SER A 32 -8.525 -9.914 0.166 1.00 0.39 H new ATOM 0 HA SER A 32 -9.814 -9.750 -2.529 1.00 0.43 H new ATOM 0 HB2 SER A 32 -10.306 -11.332 -0.253 1.00 0.52 H new ATOM 0 HB3 SER A 32 -11.543 -10.094 -0.170 1.00 0.52 H new ATOM 0 HG SER A 32 -12.192 -11.895 -1.502 1.00 0.89 H new ATOM 475 N VAL A 33 -10.333 -7.313 -2.196 1.00 0.43 N ATOM 476 CA VAL A 33 -10.799 -5.897 -2.031 1.00 0.48 C ATOM 477 C VAL A 33 -11.633 -5.486 -3.254 1.00 0.46 C ATOM 478 O VAL A 33 -11.522 -6.090 -4.305 1.00 0.45 O ATOM 479 CB VAL A 33 -9.587 -4.959 -1.902 1.00 0.53 C ATOM 480 CG1 VAL A 33 -8.900 -5.182 -0.552 1.00 0.68 C ATOM 481 CG2 VAL A 33 -8.590 -5.239 -3.034 1.00 0.56 C ATOM 0 H VAL A 33 -9.992 -7.545 -3.129 1.00 0.43 H new ATOM 0 HA VAL A 33 -11.408 -5.824 -1.130 1.00 0.48 H new ATOM 0 HB VAL A 33 -9.929 -3.926 -1.968 1.00 0.53 H new ATOM 0 HG11 VAL A 33 -8.042 -4.515 -0.466 1.00 0.68 H new ATOM 0 HG12 VAL A 33 -9.604 -4.973 0.253 1.00 0.68 H new ATOM 0 HG13 VAL A 33 -8.564 -6.216 -0.481 1.00 0.68 H new ATOM 0 HG21 VAL A 33 -7.733 -4.572 -2.938 1.00 0.56 H new ATOM 0 HG22 VAL A 33 -8.253 -6.274 -2.974 1.00 0.56 H new ATOM 0 HG23 VAL A 33 -9.075 -5.071 -3.996 1.00 0.56 H new ATOM 491 N PRO A 34 -12.442 -4.463 -3.085 1.00 0.49 N ATOM 492 CA PRO A 34 -13.306 -3.944 -4.165 1.00 0.49 C ATOM 493 C PRO A 34 -12.484 -3.129 -5.176 1.00 0.48 C ATOM 494 O PRO A 34 -11.423 -2.619 -4.860 1.00 0.52 O ATOM 495 CB PRO A 34 -14.312 -3.057 -3.427 1.00 0.57 C ATOM 496 CG PRO A 34 -13.650 -2.667 -2.086 1.00 0.62 C ATOM 497 CD PRO A 34 -12.566 -3.725 -1.807 1.00 0.58 C ATOM 0 HA PRO A 34 -13.787 -4.733 -4.743 1.00 0.49 H new ATOM 0 HB2 PRO A 34 -14.552 -2.170 -4.014 1.00 0.57 H new ATOM 0 HB3 PRO A 34 -15.248 -3.589 -3.258 1.00 0.57 H new ATOM 0 HG2 PRO A 34 -13.213 -1.670 -2.145 1.00 0.62 H new ATOM 0 HG3 PRO A 34 -14.386 -2.645 -1.282 1.00 0.62 H new ATOM 0 HD2 PRO A 34 -11.622 -3.262 -1.521 1.00 0.58 H new ATOM 0 HD3 PRO A 34 -12.856 -4.387 -0.991 1.00 0.58 H new ATOM 505 N GLU A 35 -12.972 -3.010 -6.390 1.00 0.48 N ATOM 506 CA GLU A 35 -12.232 -2.235 -7.441 1.00 0.51 C ATOM 507 C GLU A 35 -12.030 -0.775 -6.996 1.00 0.54 C ATOM 508 O GLU A 35 -11.134 -0.100 -7.474 1.00 0.62 O ATOM 509 CB GLU A 35 -13.011 -2.274 -8.767 1.00 0.56 C ATOM 510 CG GLU A 35 -14.403 -1.644 -8.597 1.00 0.57 C ATOM 511 CD GLU A 35 -15.452 -2.740 -8.362 1.00 0.81 C ATOM 512 OE1 GLU A 35 -15.693 -3.515 -9.277 1.00 1.27 O ATOM 513 OE2 GLU A 35 -15.998 -2.785 -7.272 1.00 1.14 O ATOM 0 H GLU A 35 -13.854 -3.418 -6.700 1.00 0.48 H new ATOM 0 HA GLU A 35 -11.253 -2.693 -7.584 1.00 0.51 H new ATOM 0 HB2 GLU A 35 -12.455 -1.739 -9.537 1.00 0.56 H new ATOM 0 HB3 GLU A 35 -13.112 -3.305 -9.105 1.00 0.56 H new ATOM 0 HG2 GLU A 35 -14.396 -0.950 -7.757 1.00 0.57 H new ATOM 0 HG3 GLU A 35 -14.661 -1.067 -9.485 1.00 0.57 H new ATOM 520 N SER A 36 -12.847 -0.286 -6.084 1.00 0.55 N ATOM 521 CA SER A 36 -12.702 1.126 -5.603 1.00 0.61 C ATOM 522 C SER A 36 -11.322 1.324 -4.961 1.00 0.60 C ATOM 523 O SER A 36 -10.680 2.338 -5.169 1.00 0.66 O ATOM 524 CB SER A 36 -13.789 1.430 -4.570 1.00 0.67 C ATOM 525 OG SER A 36 -14.906 2.021 -5.222 1.00 1.10 O ATOM 0 H SER A 36 -13.609 -0.809 -5.653 1.00 0.55 H new ATOM 0 HA SER A 36 -12.803 1.802 -6.452 1.00 0.61 H new ATOM 0 HB2 SER A 36 -14.092 0.513 -4.064 1.00 0.67 H new ATOM 0 HB3 SER A 36 -13.402 2.103 -3.805 1.00 0.67 H new ATOM 0 HG SER A 36 -15.605 2.215 -4.563 1.00 1.10 H new ATOM 531 N THR A 37 -10.859 0.365 -4.186 1.00 0.56 N ATOM 532 CA THR A 37 -9.517 0.500 -3.531 1.00 0.57 C ATOM 533 C THR A 37 -8.417 0.443 -4.603 1.00 0.52 C ATOM 534 O THR A 37 -8.460 -0.393 -5.486 1.00 0.49 O ATOM 535 CB THR A 37 -9.306 -0.635 -2.515 1.00 0.60 C ATOM 536 OG1 THR A 37 -9.481 -1.894 -3.151 1.00 0.59 O ATOM 537 CG2 THR A 37 -10.313 -0.495 -1.372 1.00 0.73 C ATOM 0 H THR A 37 -11.354 -0.503 -3.981 1.00 0.56 H new ATOM 0 HA THR A 37 -9.470 1.455 -3.008 1.00 0.57 H new ATOM 0 HB THR A 37 -8.293 -0.573 -2.117 1.00 0.60 H new ATOM 0 HG1 THR A 37 -10.392 -1.957 -3.507 1.00 0.59 H new ATOM 0 HG21 THR A 37 -10.162 -1.300 -0.653 1.00 0.73 H new ATOM 0 HG22 THR A 37 -10.170 0.465 -0.877 1.00 0.73 H new ATOM 0 HG23 THR A 37 -11.326 -0.550 -1.771 1.00 0.73 H new ATOM 545 N PRO A 38 -7.463 1.342 -4.496 1.00 0.56 N ATOM 546 CA PRO A 38 -6.335 1.429 -5.447 1.00 0.56 C ATOM 547 C PRO A 38 -5.270 0.362 -5.145 1.00 0.51 C ATOM 548 O PRO A 38 -5.229 -0.211 -4.066 1.00 0.50 O ATOM 549 CB PRO A 38 -5.775 2.834 -5.209 1.00 0.67 C ATOM 550 CG PRO A 38 -6.218 3.249 -3.786 1.00 0.73 C ATOM 551 CD PRO A 38 -7.422 2.358 -3.421 1.00 0.67 C ATOM 0 HA PRO A 38 -6.641 1.258 -6.479 1.00 0.56 H new ATOM 0 HB2 PRO A 38 -4.688 2.838 -5.293 1.00 0.67 H new ATOM 0 HB3 PRO A 38 -6.155 3.534 -5.953 1.00 0.67 H new ATOM 0 HG2 PRO A 38 -5.405 3.113 -3.072 1.00 0.73 H new ATOM 0 HG3 PRO A 38 -6.494 4.303 -3.758 1.00 0.73 H new ATOM 0 HD2 PRO A 38 -7.293 1.896 -2.442 1.00 0.67 H new ATOM 0 HD3 PRO A 38 -8.346 2.934 -3.383 1.00 0.67 H new ATOM 559 N PHE A 39 -4.397 0.106 -6.096 1.00 0.52 N ATOM 560 CA PHE A 39 -3.317 -0.906 -5.885 1.00 0.48 C ATOM 561 C PHE A 39 -2.359 -0.422 -4.786 1.00 0.45 C ATOM 562 O PHE A 39 -1.641 -1.209 -4.202 1.00 0.46 O ATOM 563 CB PHE A 39 -2.542 -1.121 -7.191 1.00 0.52 C ATOM 564 CG PHE A 39 -1.836 -2.460 -7.149 1.00 0.47 C ATOM 565 CD1 PHE A 39 -2.572 -3.636 -6.945 1.00 0.54 C ATOM 566 CD2 PHE A 39 -0.447 -2.526 -7.312 1.00 0.51 C ATOM 567 CE1 PHE A 39 -1.918 -4.873 -6.906 1.00 0.55 C ATOM 568 CE2 PHE A 39 0.206 -3.763 -7.273 1.00 0.53 C ATOM 569 CZ PHE A 39 -0.530 -4.936 -7.070 1.00 0.50 C ATOM 0 H PHE A 39 -4.390 0.558 -7.010 1.00 0.52 H new ATOM 0 HA PHE A 39 -3.767 -1.850 -5.578 1.00 0.48 H new ATOM 0 HB2 PHE A 39 -3.224 -1.085 -8.040 1.00 0.52 H new ATOM 0 HB3 PHE A 39 -1.816 -0.320 -7.331 1.00 0.52 H new ATOM 0 HD1 PHE A 39 -3.643 -3.587 -6.818 1.00 0.54 H new ATOM 0 HD2 PHE A 39 0.121 -1.621 -7.468 1.00 0.51 H new ATOM 0 HE1 PHE A 39 -2.485 -5.779 -6.749 1.00 0.55 H new ATOM 0 HE2 PHE A 39 1.277 -3.813 -7.399 1.00 0.53 H new ATOM 0 HZ PHE A 39 -0.026 -5.891 -7.040 1.00 0.50 H new ATOM 579 N THR A 40 -2.355 0.863 -4.489 1.00 0.44 N ATOM 580 CA THR A 40 -1.460 1.390 -3.410 1.00 0.44 C ATOM 581 C THR A 40 -1.849 0.731 -2.082 1.00 0.39 C ATOM 582 O THR A 40 -1.000 0.290 -1.328 1.00 0.41 O ATOM 583 CB THR A 40 -1.620 2.916 -3.294 1.00 0.49 C ATOM 584 OG1 THR A 40 -3.001 3.249 -3.213 1.00 0.55 O ATOM 585 CG2 THR A 40 -1.003 3.593 -4.518 1.00 0.61 C ATOM 0 H THR A 40 -2.934 1.565 -4.949 1.00 0.44 H new ATOM 0 HA THR A 40 -0.422 1.162 -3.651 1.00 0.44 H new ATOM 0 HB THR A 40 -1.111 3.262 -2.394 1.00 0.49 H new ATOM 0 HG1 THR A 40 -3.099 4.221 -3.137 1.00 0.55 H new ATOM 0 HG21 THR A 40 -1.118 4.674 -4.433 1.00 0.61 H new ATOM 0 HG22 THR A 40 0.057 3.344 -4.576 1.00 0.61 H new ATOM 0 HG23 THR A 40 -1.507 3.244 -5.419 1.00 0.61 H new ATOM 593 N ALA A 41 -3.133 0.649 -1.804 1.00 0.39 N ATOM 594 CA ALA A 41 -3.604 0.007 -0.541 1.00 0.38 C ATOM 595 C ALA A 41 -3.425 -1.513 -0.649 1.00 0.38 C ATOM 596 O ALA A 41 -3.054 -2.167 0.310 1.00 0.41 O ATOM 597 CB ALA A 41 -5.083 0.334 -0.319 1.00 0.45 C ATOM 0 H ALA A 41 -3.876 1.004 -2.406 1.00 0.39 H new ATOM 0 HA ALA A 41 -3.022 0.385 0.300 1.00 0.38 H new ATOM 0 HB1 ALA A 41 -5.425 -0.136 0.603 1.00 0.45 H new ATOM 0 HB2 ALA A 41 -5.210 1.414 -0.245 1.00 0.45 H new ATOM 0 HB3 ALA A 41 -5.669 -0.043 -1.157 1.00 0.45 H new ATOM 603 N VAL A 42 -3.680 -2.076 -1.813 1.00 0.39 N ATOM 604 CA VAL A 42 -3.518 -3.555 -1.996 1.00 0.40 C ATOM 605 C VAL A 42 -2.047 -3.937 -1.760 1.00 0.36 C ATOM 606 O VAL A 42 -1.751 -4.878 -1.046 1.00 0.41 O ATOM 607 CB VAL A 42 -3.930 -3.947 -3.423 1.00 0.47 C ATOM 608 CG1 VAL A 42 -3.723 -5.450 -3.629 1.00 0.52 C ATOM 609 CG2 VAL A 42 -5.408 -3.607 -3.645 1.00 0.56 C ATOM 0 H VAL A 42 -3.993 -1.572 -2.643 1.00 0.39 H new ATOM 0 HA VAL A 42 -4.151 -4.082 -1.283 1.00 0.40 H new ATOM 0 HB VAL A 42 -3.316 -3.395 -4.134 1.00 0.47 H new ATOM 0 HG11 VAL A 42 -4.017 -5.722 -4.643 1.00 0.52 H new ATOM 0 HG12 VAL A 42 -2.672 -5.697 -3.477 1.00 0.52 H new ATOM 0 HG13 VAL A 42 -4.332 -6.003 -2.914 1.00 0.52 H new ATOM 0 HG21 VAL A 42 -5.697 -3.886 -4.658 1.00 0.56 H new ATOM 0 HG22 VAL A 42 -6.019 -4.156 -2.929 1.00 0.56 H new ATOM 0 HG23 VAL A 42 -5.560 -2.537 -3.506 1.00 0.56 H new ATOM 619 N LEU A 43 -1.133 -3.203 -2.354 1.00 0.35 N ATOM 620 CA LEU A 43 0.325 -3.493 -2.177 1.00 0.35 C ATOM 621 C LEU A 43 0.728 -3.256 -0.715 1.00 0.35 C ATOM 622 O LEU A 43 1.557 -3.965 -0.174 1.00 0.40 O ATOM 623 CB LEU A 43 1.137 -2.563 -3.087 1.00 0.38 C ATOM 624 CG LEU A 43 2.579 -3.070 -3.199 1.00 0.43 C ATOM 625 CD1 LEU A 43 3.000 -3.086 -4.670 1.00 0.54 C ATOM 626 CD2 LEU A 43 3.510 -2.142 -2.412 1.00 0.62 C ATOM 0 H LEU A 43 -1.339 -2.408 -2.959 1.00 0.35 H new ATOM 0 HA LEU A 43 0.523 -4.532 -2.439 1.00 0.35 H new ATOM 0 HB2 LEU A 43 0.680 -2.518 -4.076 1.00 0.38 H new ATOM 0 HB3 LEU A 43 1.129 -1.550 -2.686 1.00 0.38 H new ATOM 0 HG LEU A 43 2.642 -4.079 -2.791 1.00 0.43 H new ATOM 0 HD11 LEU A 43 4.025 -3.446 -4.751 1.00 0.54 H new ATOM 0 HD12 LEU A 43 2.338 -3.746 -5.231 1.00 0.54 H new ATOM 0 HD13 LEU A 43 2.937 -2.077 -5.078 1.00 0.54 H new ATOM 0 HD21 LEU A 43 4.536 -2.503 -2.492 1.00 0.62 H new ATOM 0 HD22 LEU A 43 3.447 -1.133 -2.820 1.00 0.62 H new ATOM 0 HD23 LEU A 43 3.210 -2.129 -1.364 1.00 0.62 H new ATOM 638 N LYS A 44 0.145 -2.266 -0.076 1.00 0.36 N ATOM 639 CA LYS A 44 0.482 -1.974 1.352 1.00 0.37 C ATOM 640 C LYS A 44 0.044 -3.148 2.236 1.00 0.39 C ATOM 641 O LYS A 44 0.815 -3.652 3.031 1.00 0.43 O ATOM 642 CB LYS A 44 -0.246 -0.702 1.800 1.00 0.42 C ATOM 643 CG LYS A 44 0.557 0.533 1.378 1.00 0.63 C ATOM 644 CD LYS A 44 1.095 1.243 2.622 1.00 0.80 C ATOM 645 CE LYS A 44 2.271 2.142 2.232 1.00 1.19 C ATOM 646 NZ LYS A 44 2.809 2.817 3.449 1.00 1.88 N ATOM 0 H LYS A 44 -0.553 -1.646 -0.487 1.00 0.36 H new ATOM 0 HA LYS A 44 1.559 -1.831 1.446 1.00 0.37 H new ATOM 0 HB2 LYS A 44 -1.242 -0.668 1.358 1.00 0.42 H new ATOM 0 HB3 LYS A 44 -0.377 -0.709 2.882 1.00 0.42 H new ATOM 0 HG2 LYS A 44 1.382 0.239 0.729 1.00 0.63 H new ATOM 0 HG3 LYS A 44 -0.074 1.211 0.804 1.00 0.63 H new ATOM 0 HD2 LYS A 44 0.307 1.838 3.083 1.00 0.80 H new ATOM 0 HD3 LYS A 44 1.415 0.509 3.362 1.00 0.80 H new ATOM 0 HE2 LYS A 44 3.053 1.550 1.757 1.00 1.19 H new ATOM 0 HE3 LYS A 44 1.948 2.886 1.504 1.00 1.19 H new ATOM 0 HZ1 LYS A 44 3.608 3.427 3.183 1.00 1.88 H new ATOM 0 HZ2 LYS A 44 2.062 3.395 3.884 1.00 1.88 H new ATOM 0 HZ3 LYS A 44 3.133 2.100 4.129 1.00 1.88 H new ATOM 660 N PHE A 45 -1.188 -3.583 2.096 1.00 0.41 N ATOM 661 CA PHE A 45 -1.695 -4.725 2.923 1.00 0.45 C ATOM 662 C PHE A 45 -0.885 -5.995 2.623 1.00 0.44 C ATOM 663 O PHE A 45 -0.559 -6.753 3.520 1.00 0.50 O ATOM 664 CB PHE A 45 -3.174 -4.971 2.591 1.00 0.52 C ATOM 665 CG PHE A 45 -3.895 -5.505 3.808 1.00 0.59 C ATOM 666 CD1 PHE A 45 -3.842 -4.807 5.021 1.00 0.77 C ATOM 667 CD2 PHE A 45 -4.623 -6.700 3.720 1.00 0.69 C ATOM 668 CE1 PHE A 45 -4.514 -5.302 6.144 1.00 0.94 C ATOM 669 CE2 PHE A 45 -5.295 -7.193 4.843 1.00 0.84 C ATOM 670 CZ PHE A 45 -5.240 -6.495 6.056 1.00 0.93 C ATOM 0 H PHE A 45 -1.866 -3.194 1.441 1.00 0.41 H new ATOM 0 HA PHE A 45 -1.588 -4.478 3.979 1.00 0.45 H new ATOM 0 HB2 PHE A 45 -3.640 -4.043 2.260 1.00 0.52 H new ATOM 0 HB3 PHE A 45 -3.257 -5.681 1.768 1.00 0.52 H new ATOM 0 HD1 PHE A 45 -3.282 -3.886 5.090 1.00 0.77 H new ATOM 0 HD2 PHE A 45 -4.665 -7.240 2.785 1.00 0.69 H new ATOM 0 HE1 PHE A 45 -4.472 -4.763 7.079 1.00 0.94 H new ATOM 0 HE2 PHE A 45 -5.857 -8.113 4.775 1.00 0.84 H new ATOM 0 HZ PHE A 45 -5.758 -6.877 6.923 1.00 0.93 H new ATOM 680 N ALA A 46 -0.559 -6.230 1.371 1.00 0.40 N ATOM 681 CA ALA A 46 0.228 -7.450 1.002 1.00 0.41 C ATOM 682 C ALA A 46 1.640 -7.366 1.598 1.00 0.40 C ATOM 683 O ALA A 46 2.124 -8.316 2.185 1.00 0.45 O ATOM 684 CB ALA A 46 0.324 -7.552 -0.524 1.00 0.44 C ATOM 0 H ALA A 46 -0.806 -5.626 0.587 1.00 0.40 H new ATOM 0 HA ALA A 46 -0.274 -8.332 1.399 1.00 0.41 H new ATOM 0 HB1 ALA A 46 0.896 -8.439 -0.794 1.00 0.44 H new ATOM 0 HB2 ALA A 46 -0.678 -7.624 -0.948 1.00 0.44 H new ATOM 0 HB3 ALA A 46 0.822 -6.666 -0.917 1.00 0.44 H new ATOM 690 N ALA A 47 2.299 -6.239 1.448 1.00 0.39 N ATOM 691 CA ALA A 47 3.684 -6.083 2.000 1.00 0.40 C ATOM 692 C ALA A 47 3.652 -6.130 3.534 1.00 0.41 C ATOM 693 O ALA A 47 4.540 -6.682 4.158 1.00 0.49 O ATOM 694 CB ALA A 47 4.266 -4.742 1.545 1.00 0.43 C ATOM 0 H ALA A 47 1.935 -5.418 0.965 1.00 0.39 H new ATOM 0 HA ALA A 47 4.306 -6.899 1.632 1.00 0.40 H new ATOM 0 HB1 ALA A 47 5.273 -4.628 1.946 1.00 0.43 H new ATOM 0 HB2 ALA A 47 4.303 -4.712 0.456 1.00 0.43 H new ATOM 0 HB3 ALA A 47 3.636 -3.930 1.909 1.00 0.43 H new ATOM 700 N GLU A 48 2.638 -5.554 4.143 1.00 0.41 N ATOM 701 CA GLU A 48 2.542 -5.558 5.638 1.00 0.44 C ATOM 702 C GLU A 48 2.480 -7.002 6.152 1.00 0.48 C ATOM 703 O GLU A 48 3.165 -7.359 7.094 1.00 0.54 O ATOM 704 CB GLU A 48 1.280 -4.805 6.075 1.00 0.48 C ATOM 705 CG GLU A 48 1.673 -3.440 6.652 1.00 0.53 C ATOM 706 CD GLU A 48 1.761 -2.406 5.523 1.00 0.64 C ATOM 707 OE1 GLU A 48 2.815 -2.307 4.915 1.00 0.81 O ATOM 708 OE2 GLU A 48 0.772 -1.731 5.287 1.00 0.87 O ATOM 0 H GLU A 48 1.871 -5.080 3.665 1.00 0.41 H new ATOM 0 HA GLU A 48 3.421 -5.066 6.054 1.00 0.44 H new ATOM 0 HB2 GLU A 48 0.610 -4.673 5.226 1.00 0.48 H new ATOM 0 HB3 GLU A 48 0.738 -5.385 6.822 1.00 0.48 H new ATOM 0 HG2 GLU A 48 0.939 -3.122 7.392 1.00 0.53 H new ATOM 0 HG3 GLU A 48 2.632 -3.514 7.166 1.00 0.53 H new ATOM 715 N GLU A 49 1.669 -7.833 5.536 1.00 0.49 N ATOM 716 CA GLU A 49 1.561 -9.258 5.979 1.00 0.55 C ATOM 717 C GLU A 49 2.819 -10.032 5.556 1.00 0.52 C ATOM 718 O GLU A 49 3.208 -10.989 6.200 1.00 0.59 O ATOM 719 CB GLU A 49 0.326 -9.901 5.341 1.00 0.59 C ATOM 720 CG GLU A 49 -0.873 -9.761 6.286 1.00 0.66 C ATOM 721 CD GLU A 49 -1.547 -8.402 6.069 1.00 0.76 C ATOM 722 OE1 GLU A 49 -2.409 -8.320 5.210 1.00 0.94 O ATOM 723 OE2 GLU A 49 -1.190 -7.465 6.767 1.00 0.96 O ATOM 0 H GLU A 49 1.077 -7.583 4.744 1.00 0.49 H new ATOM 0 HA GLU A 49 1.468 -9.290 7.065 1.00 0.55 H new ATOM 0 HB2 GLU A 49 0.107 -9.423 4.386 1.00 0.59 H new ATOM 0 HB3 GLU A 49 0.518 -10.954 5.134 1.00 0.59 H new ATOM 0 HG2 GLU A 49 -1.587 -10.565 6.105 1.00 0.66 H new ATOM 0 HG3 GLU A 49 -0.545 -9.854 7.321 1.00 0.66 H new ATOM 730 N PHE A 50 3.456 -9.622 4.479 1.00 0.46 N ATOM 731 CA PHE A 50 4.691 -10.327 4.008 1.00 0.47 C ATOM 732 C PHE A 50 5.924 -9.867 4.813 1.00 0.49 C ATOM 733 O PHE A 50 7.031 -10.306 4.554 1.00 0.54 O ATOM 734 CB PHE A 50 4.908 -10.025 2.521 1.00 0.46 C ATOM 735 CG PHE A 50 4.286 -11.117 1.677 1.00 0.43 C ATOM 736 CD1 PHE A 50 4.577 -12.462 1.939 1.00 0.50 C ATOM 737 CD2 PHE A 50 3.420 -10.782 0.629 1.00 0.52 C ATOM 738 CE1 PHE A 50 4.004 -13.470 1.156 1.00 0.58 C ATOM 739 CE2 PHE A 50 2.847 -11.791 -0.155 1.00 0.57 C ATOM 740 CZ PHE A 50 3.140 -13.135 0.109 1.00 0.57 C ATOM 0 H PHE A 50 3.171 -8.827 3.907 1.00 0.46 H new ATOM 0 HA PHE A 50 4.562 -11.399 4.157 1.00 0.47 H new ATOM 0 HB2 PHE A 50 4.465 -9.062 2.268 1.00 0.46 H new ATOM 0 HB3 PHE A 50 5.974 -9.952 2.308 1.00 0.46 H new ATOM 0 HD1 PHE A 50 5.245 -12.721 2.747 1.00 0.50 H new ATOM 0 HD2 PHE A 50 3.194 -9.746 0.425 1.00 0.52 H new ATOM 0 HE1 PHE A 50 4.229 -14.506 1.360 1.00 0.58 H new ATOM 0 HE2 PHE A 50 2.179 -11.533 -0.963 1.00 0.57 H new ATOM 0 HZ PHE A 50 2.698 -13.913 -0.496 1.00 0.57 H new ATOM 750 N LYS A 51 5.740 -8.993 5.786 1.00 0.49 N ATOM 751 CA LYS A 51 6.886 -8.502 6.620 1.00 0.53 C ATOM 752 C LYS A 51 7.897 -7.742 5.744 1.00 0.52 C ATOM 753 O LYS A 51 9.100 -7.890 5.887 1.00 0.58 O ATOM 754 CB LYS A 51 7.561 -9.689 7.324 1.00 0.61 C ATOM 755 CG LYS A 51 6.760 -10.045 8.581 1.00 1.14 C ATOM 756 CD LYS A 51 6.909 -11.538 8.890 1.00 1.54 C ATOM 757 CE LYS A 51 5.767 -11.986 9.810 1.00 1.94 C ATOM 758 NZ LYS A 51 6.164 -11.804 11.236 1.00 2.65 N ATOM 0 H LYS A 51 4.834 -8.598 6.036 1.00 0.49 H new ATOM 0 HA LYS A 51 6.509 -7.814 7.377 1.00 0.53 H new ATOM 0 HB2 LYS A 51 7.609 -10.547 6.653 1.00 0.61 H new ATOM 0 HB3 LYS A 51 8.587 -9.435 7.591 1.00 0.61 H new ATOM 0 HG2 LYS A 51 7.111 -9.453 9.426 1.00 1.14 H new ATOM 0 HG3 LYS A 51 5.708 -9.798 8.434 1.00 1.14 H new ATOM 0 HD2 LYS A 51 6.893 -12.115 7.965 1.00 1.54 H new ATOM 0 HD3 LYS A 51 7.870 -11.727 9.367 1.00 1.54 H new ATOM 0 HE2 LYS A 51 4.868 -11.407 9.597 1.00 1.94 H new ATOM 0 HE3 LYS A 51 5.525 -13.032 9.621 1.00 1.94 H new ATOM 0 HZ1 LYS A 51 5.386 -12.109 11.855 1.00 2.65 H new ATOM 0 HZ2 LYS A 51 7.010 -12.375 11.436 1.00 2.65 H new ATOM 0 HZ3 LYS A 51 6.373 -10.801 11.413 1.00 2.65 H new ATOM 772 N VAL A 52 7.407 -6.917 4.850 1.00 0.47 N ATOM 773 CA VAL A 52 8.309 -6.119 3.958 1.00 0.49 C ATOM 774 C VAL A 52 7.760 -4.687 3.840 1.00 0.47 C ATOM 775 O VAL A 52 6.583 -4.459 4.061 1.00 0.49 O ATOM 776 CB VAL A 52 8.377 -6.767 2.566 1.00 0.50 C ATOM 777 CG1 VAL A 52 9.167 -8.075 2.646 1.00 0.61 C ATOM 778 CG2 VAL A 52 6.965 -7.064 2.054 1.00 0.52 C ATOM 0 H VAL A 52 6.411 -6.761 4.698 1.00 0.47 H new ATOM 0 HA VAL A 52 9.312 -6.094 4.383 1.00 0.49 H new ATOM 0 HB VAL A 52 8.871 -6.078 1.881 1.00 0.50 H new ATOM 0 HG11 VAL A 52 9.214 -8.533 1.658 1.00 0.61 H new ATOM 0 HG12 VAL A 52 10.178 -7.869 2.999 1.00 0.61 H new ATOM 0 HG13 VAL A 52 8.673 -8.757 3.338 1.00 0.61 H new ATOM 0 HG21 VAL A 52 7.025 -7.523 1.067 1.00 0.52 H new ATOM 0 HG22 VAL A 52 6.465 -7.746 2.742 1.00 0.52 H new ATOM 0 HG23 VAL A 52 6.399 -6.135 1.988 1.00 0.52 H new ATOM 788 N PRO A 53 8.628 -3.760 3.499 1.00 0.49 N ATOM 789 CA PRO A 53 8.253 -2.340 3.349 1.00 0.50 C ATOM 790 C PRO A 53 7.465 -2.119 2.055 1.00 0.47 C ATOM 791 O PRO A 53 7.945 -2.376 0.967 1.00 0.49 O ATOM 792 CB PRO A 53 9.593 -1.607 3.325 1.00 0.56 C ATOM 793 CG PRO A 53 10.656 -2.652 2.909 1.00 0.58 C ATOM 794 CD PRO A 53 10.056 -4.037 3.224 1.00 0.54 C ATOM 0 HA PRO A 53 7.604 -1.984 4.149 1.00 0.50 H new ATOM 0 HB2 PRO A 53 9.569 -0.776 2.620 1.00 0.56 H new ATOM 0 HB3 PRO A 53 9.824 -1.187 4.304 1.00 0.56 H new ATOM 0 HG2 PRO A 53 10.892 -2.564 1.849 1.00 0.58 H new ATOM 0 HG3 PRO A 53 11.586 -2.499 3.457 1.00 0.58 H new ATOM 0 HD2 PRO A 53 10.174 -4.722 2.385 1.00 0.54 H new ATOM 0 HD3 PRO A 53 10.545 -4.497 4.083 1.00 0.54 H new ATOM 802 N ALA A 54 6.251 -1.641 2.185 1.00 0.48 N ATOM 803 CA ALA A 54 5.389 -1.388 0.987 1.00 0.51 C ATOM 804 C ALA A 54 5.887 -0.148 0.232 1.00 0.51 C ATOM 805 O ALA A 54 5.785 -0.074 -0.980 1.00 0.56 O ATOM 806 CB ALA A 54 3.944 -1.159 1.442 1.00 0.63 C ATOM 0 H ALA A 54 5.816 -1.413 3.079 1.00 0.48 H new ATOM 0 HA ALA A 54 5.436 -2.252 0.324 1.00 0.51 H new ATOM 0 HB1 ALA A 54 3.314 -0.974 0.572 1.00 0.63 H new ATOM 0 HB2 ALA A 54 3.584 -2.042 1.970 1.00 0.63 H new ATOM 0 HB3 ALA A 54 3.905 -0.297 2.108 1.00 0.63 H new ATOM 812 N ALA A 55 6.422 0.820 0.942 1.00 0.53 N ATOM 813 CA ALA A 55 6.930 2.065 0.283 1.00 0.56 C ATOM 814 C ALA A 55 8.075 1.732 -0.685 1.00 0.49 C ATOM 815 O ALA A 55 8.260 2.406 -1.683 1.00 0.56 O ATOM 816 CB ALA A 55 7.439 3.032 1.357 1.00 0.65 C ATOM 0 H ALA A 55 6.528 0.799 1.956 1.00 0.53 H new ATOM 0 HA ALA A 55 6.117 2.524 -0.279 1.00 0.56 H new ATOM 0 HB1 ALA A 55 7.810 3.940 0.882 1.00 0.65 H new ATOM 0 HB2 ALA A 55 6.624 3.284 2.035 1.00 0.65 H new ATOM 0 HB3 ALA A 55 8.246 2.560 1.918 1.00 0.65 H new ATOM 822 N THR A 56 8.846 0.704 -0.400 1.00 0.44 N ATOM 823 CA THR A 56 9.982 0.336 -1.302 1.00 0.44 C ATOM 824 C THR A 56 9.803 -1.109 -1.803 1.00 0.41 C ATOM 825 O THR A 56 10.717 -1.916 -1.748 1.00 0.45 O ATOM 826 CB THR A 56 11.309 0.472 -0.538 1.00 0.48 C ATOM 827 OG1 THR A 56 11.230 -0.237 0.695 1.00 0.51 O ATOM 828 CG2 THR A 56 11.593 1.950 -0.264 1.00 0.59 C ATOM 0 H THR A 56 8.735 0.106 0.419 1.00 0.44 H new ATOM 0 HA THR A 56 9.995 1.006 -2.161 1.00 0.44 H new ATOM 0 HB THR A 56 12.115 0.054 -1.141 1.00 0.48 H new ATOM 0 HG1 THR A 56 12.078 -0.149 1.178 1.00 0.51 H new ATOM 0 HG21 THR A 56 12.534 2.045 0.278 1.00 0.59 H new ATOM 0 HG22 THR A 56 11.662 2.489 -1.209 1.00 0.59 H new ATOM 0 HG23 THR A 56 10.785 2.371 0.335 1.00 0.59 H new ATOM 836 N SER A 57 8.632 -1.435 -2.303 1.00 0.41 N ATOM 837 CA SER A 57 8.389 -2.820 -2.820 1.00 0.41 C ATOM 838 C SER A 57 7.402 -2.777 -3.991 1.00 0.40 C ATOM 839 O SER A 57 6.493 -1.966 -4.024 1.00 0.45 O ATOM 840 CB SER A 57 7.822 -3.705 -1.706 1.00 0.44 C ATOM 841 OG SER A 57 6.558 -3.203 -1.289 1.00 0.47 O ATOM 0 H SER A 57 7.836 -0.802 -2.375 1.00 0.41 H new ATOM 0 HA SER A 57 9.336 -3.236 -3.162 1.00 0.41 H new ATOM 0 HB2 SER A 57 7.717 -4.730 -2.061 1.00 0.44 H new ATOM 0 HB3 SER A 57 8.511 -3.729 -0.862 1.00 0.44 H new ATOM 0 HG SER A 57 6.066 -3.907 -0.817 1.00 0.47 H new ATOM 847 N ALA A 58 7.580 -3.656 -4.944 1.00 0.43 N ATOM 848 CA ALA A 58 6.668 -3.699 -6.126 1.00 0.45 C ATOM 849 C ALA A 58 6.066 -5.104 -6.262 1.00 0.43 C ATOM 850 O ALA A 58 6.498 -6.042 -5.614 1.00 0.45 O ATOM 851 CB ALA A 58 7.458 -3.355 -7.391 1.00 0.50 C ATOM 0 H ALA A 58 8.325 -4.352 -4.953 1.00 0.43 H new ATOM 0 HA ALA A 58 5.865 -2.975 -5.991 1.00 0.45 H new ATOM 0 HB1 ALA A 58 6.794 -3.386 -8.255 1.00 0.50 H new ATOM 0 HB2 ALA A 58 7.882 -2.355 -7.295 1.00 0.50 H new ATOM 0 HB3 ALA A 58 8.262 -4.078 -7.526 1.00 0.50 H new ATOM 857 N ILE A 59 5.070 -5.256 -7.103 1.00 0.43 N ATOM 858 CA ILE A 59 4.435 -6.596 -7.292 1.00 0.43 C ATOM 859 C ILE A 59 4.446 -6.950 -8.782 1.00 0.43 C ATOM 860 O ILE A 59 3.890 -6.240 -9.596 1.00 0.46 O ATOM 861 CB ILE A 59 2.990 -6.554 -6.760 1.00 0.45 C ATOM 862 CG1 ILE A 59 3.008 -6.739 -5.238 1.00 0.47 C ATOM 863 CG2 ILE A 59 2.150 -7.674 -7.395 1.00 0.48 C ATOM 864 CD1 ILE A 59 1.623 -6.433 -4.662 1.00 0.52 C ATOM 0 H ILE A 59 4.670 -4.506 -7.667 1.00 0.43 H new ATOM 0 HA ILE A 59 4.990 -7.356 -6.742 1.00 0.43 H new ATOM 0 HB ILE A 59 2.547 -5.592 -7.017 1.00 0.45 H new ATOM 0 HG12 ILE A 59 3.298 -7.760 -4.990 1.00 0.47 H new ATOM 0 HG13 ILE A 59 3.752 -6.079 -4.791 1.00 0.47 H new ATOM 0 HG21 ILE A 59 1.132 -7.629 -7.008 1.00 0.48 H new ATOM 0 HG22 ILE A 59 2.132 -7.547 -8.477 1.00 0.48 H new ATOM 0 HG23 ILE A 59 2.589 -8.641 -7.151 1.00 0.48 H new ATOM 0 HD11 ILE A 59 1.641 -6.566 -3.580 1.00 0.52 H new ATOM 0 HD12 ILE A 59 1.351 -5.404 -4.897 1.00 0.52 H new ATOM 0 HD13 ILE A 59 0.890 -7.111 -5.099 1.00 0.52 H new ATOM 876 N ILE A 60 5.068 -8.047 -9.141 1.00 0.42 N ATOM 877 CA ILE A 60 5.107 -8.455 -10.581 1.00 0.42 C ATOM 878 C ILE A 60 4.024 -9.512 -10.846 1.00 0.41 C ATOM 879 O ILE A 60 3.362 -9.976 -9.935 1.00 0.45 O ATOM 880 CB ILE A 60 6.489 -9.033 -10.931 1.00 0.45 C ATOM 881 CG1 ILE A 60 6.772 -10.273 -10.073 1.00 0.47 C ATOM 882 CG2 ILE A 60 7.569 -7.980 -10.673 1.00 0.50 C ATOM 883 CD1 ILE A 60 7.443 -11.348 -10.930 1.00 0.60 C ATOM 0 H ILE A 60 5.550 -8.677 -8.500 1.00 0.42 H new ATOM 0 HA ILE A 60 4.922 -7.579 -11.203 1.00 0.42 H new ATOM 0 HB ILE A 60 6.498 -9.315 -11.984 1.00 0.45 H new ATOM 0 HG12 ILE A 60 7.416 -10.008 -9.234 1.00 0.47 H new ATOM 0 HG13 ILE A 60 5.842 -10.657 -9.653 1.00 0.47 H new ATOM 0 HG21 ILE A 60 8.547 -8.393 -10.922 1.00 0.50 H new ATOM 0 HG22 ILE A 60 7.377 -7.103 -11.291 1.00 0.50 H new ATOM 0 HG23 ILE A 60 7.553 -7.693 -9.622 1.00 0.50 H new ATOM 0 HD11 ILE A 60 7.643 -12.228 -10.319 1.00 0.60 H new ATOM 0 HD12 ILE A 60 6.783 -11.621 -11.754 1.00 0.60 H new ATOM 0 HD13 ILE A 60 8.381 -10.962 -11.329 1.00 0.60 H new ATOM 895 N THR A 61 3.838 -9.893 -12.087 1.00 0.44 N ATOM 896 CA THR A 61 2.800 -10.919 -12.418 1.00 0.44 C ATOM 897 C THR A 61 3.470 -12.285 -12.625 1.00 0.47 C ATOM 898 O THR A 61 4.684 -12.397 -12.645 1.00 0.53 O ATOM 899 CB THR A 61 2.051 -10.516 -13.698 1.00 0.46 C ATOM 900 OG1 THR A 61 2.979 -10.338 -14.761 1.00 0.50 O ATOM 901 CG2 THR A 61 1.287 -9.211 -13.459 1.00 0.54 C ATOM 0 H THR A 61 4.362 -9.537 -12.886 1.00 0.44 H new ATOM 0 HA THR A 61 2.090 -10.983 -11.593 1.00 0.44 H new ATOM 0 HB THR A 61 1.346 -11.303 -13.964 1.00 0.46 H new ATOM 0 HG1 THR A 61 2.493 -10.241 -15.607 1.00 0.50 H new ATOM 0 HG21 THR A 61 0.757 -8.928 -14.368 1.00 0.54 H new ATOM 0 HG22 THR A 61 0.570 -9.352 -12.650 1.00 0.54 H new ATOM 0 HG23 THR A 61 1.989 -8.423 -13.188 1.00 0.54 H new ATOM 909 N ASN A 62 2.682 -13.322 -12.787 1.00 0.51 N ATOM 910 CA ASN A 62 3.256 -14.686 -13.001 1.00 0.55 C ATOM 911 C ASN A 62 3.917 -14.767 -14.388 1.00 0.54 C ATOM 912 O ASN A 62 4.775 -15.600 -14.619 1.00 0.58 O ATOM 913 CB ASN A 62 2.141 -15.732 -12.898 1.00 0.61 C ATOM 914 CG ASN A 62 2.112 -16.309 -11.480 1.00 0.69 C ATOM 915 OD1 ASN A 62 1.748 -15.627 -10.541 1.00 0.80 O ATOM 916 ND2 ASN A 62 2.484 -17.545 -11.281 1.00 1.00 N ATOM 0 H ASN A 62 1.663 -13.280 -12.780 1.00 0.51 H new ATOM 0 HA ASN A 62 4.009 -14.881 -12.238 1.00 0.55 H new ATOM 0 HB2 ASN A 62 1.179 -15.279 -13.137 1.00 0.61 H new ATOM 0 HB3 ASN A 62 2.307 -16.529 -13.623 1.00 0.61 H new ATOM 0 HD21 ASN A 62 2.469 -17.937 -10.339 1.00 1.00 H new ATOM 0 HD22 ASN A 62 2.790 -18.119 -12.067 1.00 1.00 H new ATOM 923 N ASP A 63 3.528 -13.907 -15.306 1.00 0.56 N ATOM 924 CA ASP A 63 4.134 -13.928 -16.674 1.00 0.59 C ATOM 925 C ASP A 63 5.450 -13.139 -16.663 1.00 0.58 C ATOM 926 O ASP A 63 6.487 -13.648 -17.048 1.00 0.70 O ATOM 927 CB ASP A 63 3.164 -13.291 -17.676 1.00 0.63 C ATOM 928 CG ASP A 63 1.882 -14.128 -17.761 1.00 0.74 C ATOM 929 OD1 ASP A 63 1.852 -15.051 -18.558 1.00 0.85 O ATOM 930 OD2 ASP A 63 0.953 -13.828 -17.028 1.00 0.90 O ATOM 0 H ASP A 63 2.815 -13.192 -15.163 1.00 0.56 H new ATOM 0 HA ASP A 63 4.331 -14.959 -16.967 1.00 0.59 H new ATOM 0 HB2 ASP A 63 2.925 -12.273 -17.368 1.00 0.63 H new ATOM 0 HB3 ASP A 63 3.632 -13.225 -18.658 1.00 0.63 H new ATOM 935 N GLY A 64 5.411 -11.900 -16.223 1.00 0.54 N ATOM 936 CA GLY A 64 6.654 -11.069 -16.182 1.00 0.57 C ATOM 937 C GLY A 64 6.299 -9.588 -16.357 1.00 0.57 C ATOM 938 O GLY A 64 6.824 -8.919 -17.229 1.00 0.69 O ATOM 0 H GLY A 64 4.569 -11.431 -15.891 1.00 0.54 H new ATOM 0 HA2 GLY A 64 7.170 -11.218 -15.234 1.00 0.57 H new ATOM 0 HA3 GLY A 64 7.338 -11.383 -16.970 1.00 0.57 H new ATOM 942 N VAL A 65 5.417 -9.075 -15.531 1.00 0.53 N ATOM 943 CA VAL A 65 5.020 -7.635 -15.632 1.00 0.55 C ATOM 944 C VAL A 65 5.159 -6.980 -14.252 1.00 0.51 C ATOM 945 O VAL A 65 4.554 -7.413 -13.290 1.00 0.57 O ATOM 946 CB VAL A 65 3.565 -7.530 -16.112 1.00 0.57 C ATOM 947 CG1 VAL A 65 3.170 -6.056 -16.244 1.00 0.67 C ATOM 948 CG2 VAL A 65 3.423 -8.216 -17.475 1.00 0.67 C ATOM 0 H VAL A 65 4.953 -9.596 -14.787 1.00 0.53 H new ATOM 0 HA VAL A 65 5.666 -7.126 -16.347 1.00 0.55 H new ATOM 0 HB VAL A 65 2.913 -8.018 -15.388 1.00 0.57 H new ATOM 0 HG11 VAL A 65 2.137 -5.985 -16.585 1.00 0.67 H new ATOM 0 HG12 VAL A 65 3.267 -5.565 -15.276 1.00 0.67 H new ATOM 0 HG13 VAL A 65 3.824 -5.567 -16.966 1.00 0.67 H new ATOM 0 HG21 VAL A 65 2.390 -8.141 -17.814 1.00 0.67 H new ATOM 0 HG22 VAL A 65 4.079 -7.729 -18.197 1.00 0.67 H new ATOM 0 HG23 VAL A 65 3.699 -9.266 -17.384 1.00 0.67 H new ATOM 958 N GLY A 66 5.959 -5.943 -14.155 1.00 0.53 N ATOM 959 CA GLY A 66 6.163 -5.251 -12.847 1.00 0.51 C ATOM 960 C GLY A 66 4.973 -4.340 -12.545 1.00 0.50 C ATOM 961 O GLY A 66 4.973 -3.171 -12.885 1.00 0.56 O ATOM 0 H GLY A 66 6.483 -5.545 -14.935 1.00 0.53 H new ATOM 0 HA2 GLY A 66 6.279 -5.987 -12.051 1.00 0.51 H new ATOM 0 HA3 GLY A 66 7.082 -4.665 -12.876 1.00 0.51 H new ATOM 965 N VAL A 67 3.964 -4.873 -11.901 1.00 0.47 N ATOM 966 CA VAL A 67 2.760 -4.056 -11.554 1.00 0.48 C ATOM 967 C VAL A 67 3.123 -3.066 -10.437 1.00 0.49 C ATOM 968 O VAL A 67 3.670 -3.443 -9.412 1.00 0.53 O ATOM 969 CB VAL A 67 1.624 -4.972 -11.076 1.00 0.48 C ATOM 970 CG1 VAL A 67 0.335 -4.159 -10.930 1.00 0.54 C ATOM 971 CG2 VAL A 67 1.401 -6.092 -12.098 1.00 0.50 C ATOM 0 H VAL A 67 3.923 -5.846 -11.599 1.00 0.47 H new ATOM 0 HA VAL A 67 2.430 -3.510 -12.438 1.00 0.48 H new ATOM 0 HB VAL A 67 1.894 -5.405 -10.113 1.00 0.48 H new ATOM 0 HG11 VAL A 67 -0.470 -4.811 -10.591 1.00 0.54 H new ATOM 0 HG12 VAL A 67 0.488 -3.362 -10.202 1.00 0.54 H new ATOM 0 HG13 VAL A 67 0.068 -3.724 -11.893 1.00 0.54 H new ATOM 0 HG21 VAL A 67 0.594 -6.741 -11.757 1.00 0.50 H new ATOM 0 HG22 VAL A 67 1.134 -5.658 -13.061 1.00 0.50 H new ATOM 0 HG23 VAL A 67 2.316 -6.675 -12.204 1.00 0.50 H new ATOM 981 N ASN A 68 2.822 -1.806 -10.636 1.00 0.52 N ATOM 982 CA ASN A 68 3.143 -0.772 -9.603 1.00 0.54 C ATOM 983 C ASN A 68 1.845 -0.253 -8.963 1.00 0.48 C ATOM 984 O ASN A 68 0.772 -0.418 -9.519 1.00 0.47 O ATOM 985 CB ASN A 68 3.890 0.389 -10.267 1.00 0.61 C ATOM 986 CG ASN A 68 5.396 0.108 -10.248 1.00 0.74 C ATOM 987 OD1 ASN A 68 5.881 -0.709 -11.006 1.00 0.95 O ATOM 988 ND2 ASN A 68 6.160 0.754 -9.409 1.00 0.87 N ATOM 0 H ASN A 68 2.365 -1.447 -11.474 1.00 0.52 H new ATOM 0 HA ASN A 68 3.769 -1.215 -8.828 1.00 0.54 H new ATOM 0 HB2 ASN A 68 3.546 0.516 -11.294 1.00 0.61 H new ATOM 0 HB3 ASN A 68 3.677 1.320 -9.742 1.00 0.61 H new ATOM 0 HD21 ASN A 68 7.164 0.573 -9.390 1.00 0.87 H new ATOM 0 HD22 ASN A 68 5.753 1.440 -8.773 1.00 0.87 H new ATOM 995 N PRO A 69 1.984 0.364 -7.808 1.00 0.49 N ATOM 996 CA PRO A 69 0.843 0.928 -7.055 1.00 0.48 C ATOM 997 C PRO A 69 0.406 2.270 -7.672 1.00 0.47 C ATOM 998 O PRO A 69 0.480 3.313 -7.043 1.00 0.55 O ATOM 999 CB PRO A 69 1.407 1.112 -5.640 1.00 0.54 C ATOM 1000 CG PRO A 69 2.946 1.192 -5.789 1.00 0.56 C ATOM 1001 CD PRO A 69 3.293 0.552 -7.146 1.00 0.54 C ATOM 0 HA PRO A 69 -0.045 0.295 -7.068 1.00 0.48 H new ATOM 0 HB2 PRO A 69 1.014 2.019 -5.180 1.00 0.54 H new ATOM 0 HB3 PRO A 69 1.122 0.279 -4.997 1.00 0.54 H new ATOM 0 HG2 PRO A 69 3.285 2.227 -5.751 1.00 0.56 H new ATOM 0 HG3 PRO A 69 3.442 0.664 -4.974 1.00 0.56 H new ATOM 0 HD2 PRO A 69 3.947 1.196 -7.734 1.00 0.54 H new ATOM 0 HD3 PRO A 69 3.813 -0.397 -7.017 1.00 0.54 H new ATOM 1009 N ALA A 70 -0.043 2.245 -8.905 1.00 0.44 N ATOM 1010 CA ALA A 70 -0.487 3.505 -9.585 1.00 0.49 C ATOM 1011 C ALA A 70 -1.895 3.337 -10.191 1.00 0.52 C ATOM 1012 O ALA A 70 -2.523 4.309 -10.573 1.00 1.06 O ATOM 1013 CB ALA A 70 0.506 3.851 -10.697 1.00 0.55 C ATOM 0 H ALA A 70 -0.121 1.401 -9.473 1.00 0.44 H new ATOM 0 HA ALA A 70 -0.522 4.307 -8.847 1.00 0.49 H new ATOM 0 HB1 ALA A 70 0.189 4.767 -11.196 1.00 0.55 H new ATOM 0 HB2 ALA A 70 1.497 3.996 -10.267 1.00 0.55 H new ATOM 0 HB3 ALA A 70 0.540 3.037 -11.421 1.00 0.55 H new ATOM 1019 N GLN A 71 -2.395 2.120 -10.286 1.00 0.55 N ATOM 1020 CA GLN A 71 -3.759 1.897 -10.871 1.00 0.52 C ATOM 1021 C GLN A 71 -4.696 1.307 -9.799 1.00 0.48 C ATOM 1022 O GLN A 71 -4.241 0.855 -8.765 1.00 0.49 O ATOM 1023 CB GLN A 71 -3.646 0.928 -12.058 1.00 0.55 C ATOM 1024 CG GLN A 71 -3.012 -0.392 -11.604 1.00 0.56 C ATOM 1025 CD GLN A 71 -1.671 -0.590 -12.314 1.00 0.57 C ATOM 1026 OE1 GLN A 71 -0.673 -0.016 -11.925 1.00 0.65 O ATOM 1027 NE2 GLN A 71 -1.602 -1.386 -13.348 1.00 0.73 N ATOM 0 H GLN A 71 -1.914 1.273 -9.982 1.00 0.55 H new ATOM 0 HA GLN A 71 -4.170 2.846 -11.214 1.00 0.52 H new ATOM 0 HB2 GLN A 71 -4.634 0.740 -12.479 1.00 0.55 H new ATOM 0 HB3 GLN A 71 -3.043 1.377 -12.848 1.00 0.55 H new ATOM 0 HG2 GLN A 71 -2.865 -0.384 -10.524 1.00 0.56 H new ATOM 0 HG3 GLN A 71 -3.680 -1.224 -11.828 1.00 0.56 H new ATOM 0 HE21 GLN A 71 -2.438 -1.869 -13.676 1.00 0.73 H new ATOM 0 HE22 GLN A 71 -0.712 -1.524 -13.827 1.00 0.73 H new ATOM 1036 N PRO A 72 -5.985 1.330 -10.080 1.00 0.47 N ATOM 1037 CA PRO A 72 -7.013 0.804 -9.155 1.00 0.47 C ATOM 1038 C PRO A 72 -7.045 -0.733 -9.181 1.00 0.44 C ATOM 1039 O PRO A 72 -6.628 -1.356 -10.143 1.00 0.44 O ATOM 1040 CB PRO A 72 -8.321 1.392 -9.697 1.00 0.52 C ATOM 1041 CG PRO A 72 -8.061 1.741 -11.180 1.00 0.53 C ATOM 1042 CD PRO A 72 -6.536 1.879 -11.340 1.00 0.51 C ATOM 0 HA PRO A 72 -6.826 1.076 -8.116 1.00 0.47 H new ATOM 0 HB2 PRO A 72 -9.137 0.675 -9.604 1.00 0.52 H new ATOM 0 HB3 PRO A 72 -8.611 2.279 -9.134 1.00 0.52 H new ATOM 0 HG2 PRO A 72 -8.450 0.962 -11.835 1.00 0.53 H new ATOM 0 HG3 PRO A 72 -8.565 2.668 -11.454 1.00 0.53 H new ATOM 0 HD2 PRO A 72 -6.175 1.325 -12.207 1.00 0.51 H new ATOM 0 HD3 PRO A 72 -6.243 2.919 -11.482 1.00 0.51 H new ATOM 1050 N ALA A 73 -7.541 -1.340 -8.124 1.00 0.45 N ATOM 1051 CA ALA A 73 -7.613 -2.838 -8.061 1.00 0.43 C ATOM 1052 C ALA A 73 -8.436 -3.374 -9.240 1.00 0.40 C ATOM 1053 O ALA A 73 -8.103 -4.390 -9.820 1.00 0.39 O ATOM 1054 CB ALA A 73 -8.269 -3.269 -6.746 1.00 0.49 C ATOM 0 H ALA A 73 -7.900 -0.859 -7.299 1.00 0.45 H new ATOM 0 HA ALA A 73 -6.602 -3.243 -8.114 1.00 0.43 H new ATOM 0 HB1 ALA A 73 -8.319 -4.357 -6.704 1.00 0.49 H new ATOM 0 HB2 ALA A 73 -7.679 -2.900 -5.907 1.00 0.49 H new ATOM 0 HB3 ALA A 73 -9.276 -2.857 -6.690 1.00 0.49 H new ATOM 1060 N GLY A 74 -9.502 -2.692 -9.601 1.00 0.44 N ATOM 1061 CA GLY A 74 -10.348 -3.150 -10.747 1.00 0.45 C ATOM 1062 C GLY A 74 -9.482 -3.275 -12.007 1.00 0.43 C ATOM 1063 O GLY A 74 -9.569 -4.251 -12.731 1.00 0.47 O ATOM 0 H GLY A 74 -9.820 -1.836 -9.148 1.00 0.44 H new ATOM 0 HA2 GLY A 74 -10.807 -4.110 -10.512 1.00 0.45 H new ATOM 0 HA3 GLY A 74 -11.159 -2.442 -10.919 1.00 0.45 H new ATOM 1067 N ASN A 75 -8.642 -2.297 -12.263 1.00 0.43 N ATOM 1068 CA ASN A 75 -7.754 -2.348 -13.467 1.00 0.45 C ATOM 1069 C ASN A 75 -6.694 -3.445 -13.283 1.00 0.41 C ATOM 1070 O ASN A 75 -6.297 -4.093 -14.234 1.00 0.46 O ATOM 1071 CB ASN A 75 -7.064 -0.994 -13.651 1.00 0.52 C ATOM 1072 CG ASN A 75 -6.679 -0.810 -15.121 1.00 0.78 C ATOM 1073 OD1 ASN A 75 -7.484 -0.378 -15.923 1.00 1.09 O ATOM 1074 ND2 ASN A 75 -5.473 -1.120 -15.514 1.00 1.25 N ATOM 0 H ASN A 75 -8.535 -1.463 -11.686 1.00 0.43 H new ATOM 0 HA ASN A 75 -8.354 -2.572 -14.349 1.00 0.45 H new ATOM 0 HB2 ASN A 75 -7.729 -0.190 -13.335 1.00 0.52 H new ATOM 0 HB3 ASN A 75 -6.175 -0.939 -13.022 1.00 0.52 H new ATOM 0 HD21 ASN A 75 -5.208 -0.999 -16.492 1.00 1.25 H new ATOM 0 HD22 ASN A 75 -4.795 -1.483 -14.843 1.00 1.25 H new ATOM 1081 N ILE A 76 -6.238 -3.656 -12.066 1.00 0.37 N ATOM 1082 CA ILE A 76 -5.207 -4.712 -11.805 1.00 0.36 C ATOM 1083 C ILE A 76 -5.770 -6.087 -12.199 1.00 0.37 C ATOM 1084 O ILE A 76 -5.090 -6.884 -12.817 1.00 0.43 O ATOM 1085 CB ILE A 76 -4.840 -4.715 -10.312 1.00 0.38 C ATOM 1086 CG1 ILE A 76 -4.164 -3.385 -9.943 1.00 0.41 C ATOM 1087 CG2 ILE A 76 -3.891 -5.882 -10.007 1.00 0.42 C ATOM 1088 CD1 ILE A 76 -2.742 -3.338 -10.512 1.00 0.45 C ATOM 0 H ILE A 76 -6.539 -3.138 -11.240 1.00 0.37 H new ATOM 0 HA ILE A 76 -4.315 -4.502 -12.396 1.00 0.36 H new ATOM 0 HB ILE A 76 -5.749 -4.834 -9.722 1.00 0.38 H new ATOM 0 HG12 ILE A 76 -4.748 -2.551 -10.334 1.00 0.41 H new ATOM 0 HG13 ILE A 76 -4.134 -3.273 -8.859 1.00 0.41 H new ATOM 0 HG21 ILE A 76 -3.636 -5.876 -8.947 1.00 0.42 H new ATOM 0 HG22 ILE A 76 -4.380 -6.823 -10.258 1.00 0.42 H new ATOM 0 HG23 ILE A 76 -2.982 -5.776 -10.599 1.00 0.42 H new ATOM 0 HD11 ILE A 76 -2.274 -2.391 -10.244 1.00 0.45 H new ATOM 0 HD12 ILE A 76 -2.158 -4.161 -10.100 1.00 0.45 H new ATOM 0 HD13 ILE A 76 -2.781 -3.429 -11.598 1.00 0.45 H new ATOM 1100 N PHE A 77 -7.005 -6.361 -11.847 1.00 0.38 N ATOM 1101 CA PHE A 77 -7.626 -7.677 -12.197 1.00 0.41 C ATOM 1102 C PHE A 77 -7.974 -7.710 -13.692 1.00 0.44 C ATOM 1103 O PHE A 77 -7.833 -8.729 -14.343 1.00 0.53 O ATOM 1104 CB PHE A 77 -8.902 -7.872 -11.371 1.00 0.45 C ATOM 1105 CG PHE A 77 -9.217 -9.346 -11.259 1.00 0.45 C ATOM 1106 CD1 PHE A 77 -9.917 -9.993 -12.286 1.00 0.65 C ATOM 1107 CD2 PHE A 77 -8.809 -10.068 -10.130 1.00 0.49 C ATOM 1108 CE1 PHE A 77 -10.209 -11.358 -12.183 1.00 0.72 C ATOM 1109 CE2 PHE A 77 -9.103 -11.433 -10.028 1.00 0.54 C ATOM 1110 CZ PHE A 77 -9.801 -12.077 -11.054 1.00 0.60 C ATOM 0 H PHE A 77 -7.612 -5.725 -11.329 1.00 0.38 H new ATOM 0 HA PHE A 77 -6.920 -8.478 -11.977 1.00 0.41 H new ATOM 0 HB2 PHE A 77 -8.773 -7.442 -10.378 1.00 0.45 H new ATOM 0 HB3 PHE A 77 -9.734 -7.347 -11.840 1.00 0.45 H new ATOM 0 HD1 PHE A 77 -10.231 -9.438 -13.158 1.00 0.65 H new ATOM 0 HD2 PHE A 77 -8.268 -9.572 -9.338 1.00 0.49 H new ATOM 0 HE1 PHE A 77 -10.749 -11.856 -12.975 1.00 0.72 H new ATOM 0 HE2 PHE A 77 -8.790 -11.989 -9.156 1.00 0.54 H new ATOM 0 HZ PHE A 77 -10.026 -13.130 -10.975 1.00 0.60 H new ATOM 1120 N LEU A 78 -8.433 -6.605 -14.235 1.00 0.45 N ATOM 1121 CA LEU A 78 -8.803 -6.559 -15.685 1.00 0.51 C ATOM 1122 C LEU A 78 -7.557 -6.744 -16.563 1.00 0.51 C ATOM 1123 O LEU A 78 -7.613 -7.394 -17.592 1.00 0.64 O ATOM 1124 CB LEU A 78 -9.446 -5.205 -16.009 1.00 0.56 C ATOM 1125 CG LEU A 78 -10.890 -5.175 -15.501 1.00 0.59 C ATOM 1126 CD1 LEU A 78 -11.407 -3.734 -15.523 1.00 0.65 C ATOM 1127 CD2 LEU A 78 -11.773 -6.042 -16.406 1.00 0.82 C ATOM 0 H LEU A 78 -8.567 -5.728 -13.731 1.00 0.45 H new ATOM 0 HA LEU A 78 -9.507 -7.365 -15.889 1.00 0.51 H new ATOM 0 HB2 LEU A 78 -8.873 -4.401 -15.547 1.00 0.56 H new ATOM 0 HB3 LEU A 78 -9.427 -5.032 -17.085 1.00 0.56 H new ATOM 0 HG LEU A 78 -10.922 -5.562 -14.483 1.00 0.59 H new ATOM 0 HD11 LEU A 78 -12.435 -3.711 -15.162 1.00 0.65 H new ATOM 0 HD12 LEU A 78 -10.782 -3.113 -14.880 1.00 0.65 H new ATOM 0 HD13 LEU A 78 -11.372 -3.350 -16.543 1.00 0.65 H new ATOM 0 HD21 LEU A 78 -12.800 -6.019 -16.042 1.00 0.82 H new ATOM 0 HD22 LEU A 78 -11.740 -5.656 -17.425 1.00 0.82 H new ATOM 0 HD23 LEU A 78 -11.407 -7.069 -16.395 1.00 0.82 H new ATOM 1139 N LYS A 79 -6.442 -6.168 -16.176 1.00 0.48 N ATOM 1140 CA LYS A 79 -5.198 -6.293 -16.998 1.00 0.54 C ATOM 1141 C LYS A 79 -4.379 -7.513 -16.558 1.00 0.51 C ATOM 1142 O LYS A 79 -4.046 -8.362 -17.365 1.00 0.63 O ATOM 1143 CB LYS A 79 -4.349 -5.026 -16.832 1.00 0.55 C ATOM 1144 CG LYS A 79 -3.946 -4.496 -18.209 1.00 1.07 C ATOM 1145 CD LYS A 79 -2.436 -4.233 -18.238 1.00 1.38 C ATOM 1146 CE LYS A 79 -2.176 -2.782 -18.648 1.00 1.25 C ATOM 1147 NZ LYS A 79 -1.092 -2.210 -17.796 1.00 1.90 N ATOM 0 H LYS A 79 -6.342 -5.616 -15.324 1.00 0.48 H new ATOM 0 HA LYS A 79 -5.481 -6.419 -18.043 1.00 0.54 H new ATOM 0 HB2 LYS A 79 -4.912 -4.267 -16.289 1.00 0.55 H new ATOM 0 HB3 LYS A 79 -3.460 -5.246 -16.241 1.00 0.55 H new ATOM 0 HG2 LYS A 79 -4.214 -5.218 -18.980 1.00 1.07 H new ATOM 0 HG3 LYS A 79 -4.490 -3.577 -18.429 1.00 1.07 H new ATOM 0 HD2 LYS A 79 -2.004 -4.427 -17.256 1.00 1.38 H new ATOM 0 HD3 LYS A 79 -1.952 -4.912 -18.940 1.00 1.38 H new ATOM 0 HE2 LYS A 79 -1.890 -2.736 -19.699 1.00 1.25 H new ATOM 0 HE3 LYS A 79 -3.087 -2.194 -18.539 1.00 1.25 H new ATOM 0 HZ1 LYS A 79 -0.915 -1.224 -18.075 1.00 1.90 H new ATOM 0 HZ2 LYS A 79 -1.382 -2.241 -16.798 1.00 1.90 H new ATOM 0 HZ3 LYS A 79 -0.222 -2.766 -17.921 1.00 1.90 H new ATOM 1161 N HIS A 80 -4.036 -7.597 -15.293 1.00 0.44 N ATOM 1162 CA HIS A 80 -3.214 -8.750 -14.804 1.00 0.47 C ATOM 1163 C HIS A 80 -4.123 -9.910 -14.378 1.00 0.50 C ATOM 1164 O HIS A 80 -4.098 -10.970 -14.977 1.00 0.68 O ATOM 1165 CB HIS A 80 -2.352 -8.300 -13.616 1.00 0.46 C ATOM 1166 CG HIS A 80 -1.657 -7.008 -13.959 1.00 0.47 C ATOM 1167 ND1 HIS A 80 -0.727 -6.917 -14.983 1.00 0.54 N ATOM 1168 CD2 HIS A 80 -1.760 -5.744 -13.433 1.00 0.57 C ATOM 1169 CE1 HIS A 80 -0.313 -5.638 -15.043 1.00 0.59 C ATOM 1170 NE2 HIS A 80 -0.911 -4.880 -14.119 1.00 0.61 N ATOM 0 H HIS A 80 -4.291 -6.916 -14.578 1.00 0.44 H new ATOM 0 HA HIS A 80 -2.568 -9.092 -15.612 1.00 0.47 H new ATOM 0 HB2 HIS A 80 -2.975 -8.166 -12.731 1.00 0.46 H new ATOM 0 HB3 HIS A 80 -1.617 -9.068 -13.375 1.00 0.46 H new ATOM 0 HD2 HIS A 80 -2.402 -5.463 -12.612 1.00 0.57 H new ATOM 0 HE1 HIS A 80 0.414 -5.269 -15.751 1.00 0.59 H new ATOM 0 HE2 HIS A 80 -0.775 -3.883 -13.952 1.00 0.61 H new ATOM 1178 N GLY A 81 -4.917 -9.721 -13.350 1.00 0.43 N ATOM 1179 CA GLY A 81 -5.824 -10.813 -12.879 1.00 0.47 C ATOM 1180 C GLY A 81 -5.581 -11.079 -11.391 1.00 0.46 C ATOM 1181 O GLY A 81 -5.703 -10.190 -10.568 1.00 0.69 O ATOM 0 H GLY A 81 -4.975 -8.854 -12.816 1.00 0.43 H new ATOM 0 HA2 GLY A 81 -6.864 -10.531 -13.043 1.00 0.47 H new ATOM 0 HA3 GLY A 81 -5.645 -11.721 -13.455 1.00 0.47 H new ATOM 1185 N SER A 82 -5.244 -12.301 -11.041 1.00 0.50 N ATOM 1186 CA SER A 82 -4.997 -12.642 -9.604 1.00 0.50 C ATOM 1187 C SER A 82 -3.556 -13.142 -9.414 1.00 0.45 C ATOM 1188 O SER A 82 -2.901 -12.791 -8.450 1.00 0.53 O ATOM 1189 CB SER A 82 -5.974 -13.736 -9.165 1.00 0.56 C ATOM 1190 OG SER A 82 -6.068 -13.744 -7.744 1.00 0.58 O ATOM 0 H SER A 82 -5.130 -13.077 -11.692 1.00 0.50 H new ATOM 0 HA SER A 82 -5.145 -11.748 -8.999 1.00 0.50 H new ATOM 0 HB2 SER A 82 -6.956 -13.560 -9.604 1.00 0.56 H new ATOM 0 HB3 SER A 82 -5.634 -14.708 -9.523 1.00 0.56 H new ATOM 0 HG SER A 82 -6.592 -12.971 -7.446 1.00 0.58 H new ATOM 1196 N GLU A 83 -3.066 -13.963 -10.319 1.00 0.43 N ATOM 1197 CA GLU A 83 -1.671 -14.500 -10.190 1.00 0.46 C ATOM 1198 C GLU A 83 -0.665 -13.342 -10.135 1.00 0.42 C ATOM 1199 O GLU A 83 -0.394 -12.691 -11.130 1.00 0.48 O ATOM 1200 CB GLU A 83 -1.359 -15.406 -11.388 1.00 0.58 C ATOM 1201 CG GLU A 83 -1.575 -16.870 -10.992 1.00 0.78 C ATOM 1202 CD GLU A 83 -3.076 -17.177 -10.943 1.00 1.03 C ATOM 1203 OE1 GLU A 83 -3.619 -17.548 -11.971 1.00 1.21 O ATOM 1204 OE2 GLU A 83 -3.658 -17.037 -9.879 1.00 1.30 O ATOM 0 H GLU A 83 -3.575 -14.284 -11.143 1.00 0.43 H new ATOM 0 HA GLU A 83 -1.592 -15.078 -9.269 1.00 0.46 H new ATOM 0 HB2 GLU A 83 -2.001 -15.147 -12.230 1.00 0.58 H new ATOM 0 HB3 GLU A 83 -0.330 -15.254 -11.714 1.00 0.58 H new ATOM 0 HG2 GLU A 83 -1.083 -17.527 -11.709 1.00 0.78 H new ATOM 0 HG3 GLU A 83 -1.123 -17.064 -10.020 1.00 0.78 H new ATOM 1211 N LEU A 84 -0.118 -13.082 -8.967 1.00 0.42 N ATOM 1212 CA LEU A 84 0.870 -11.966 -8.813 1.00 0.42 C ATOM 1213 C LEU A 84 2.033 -12.410 -7.909 1.00 0.42 C ATOM 1214 O LEU A 84 2.004 -13.475 -7.316 1.00 0.47 O ATOM 1215 CB LEU A 84 0.173 -10.752 -8.186 1.00 0.47 C ATOM 1216 CG LEU A 84 -0.759 -10.100 -9.214 1.00 0.51 C ATOM 1217 CD1 LEU A 84 -1.889 -9.363 -8.490 1.00 0.66 C ATOM 1218 CD2 LEU A 84 0.033 -9.105 -10.067 1.00 0.63 C ATOM 0 H LEU A 84 -0.316 -13.599 -8.110 1.00 0.42 H new ATOM 0 HA LEU A 84 1.263 -11.700 -9.794 1.00 0.42 H new ATOM 0 HB2 LEU A 84 -0.397 -11.061 -7.309 1.00 0.47 H new ATOM 0 HB3 LEU A 84 0.916 -10.030 -7.846 1.00 0.47 H new ATOM 0 HG LEU A 84 -1.183 -10.873 -9.856 1.00 0.51 H new ATOM 0 HD11 LEU A 84 -2.550 -8.900 -9.223 1.00 0.66 H new ATOM 0 HD12 LEU A 84 -2.456 -10.071 -7.885 1.00 0.66 H new ATOM 0 HD13 LEU A 84 -1.466 -8.592 -7.845 1.00 0.66 H new ATOM 0 HD21 LEU A 84 -0.631 -8.642 -10.797 1.00 0.63 H new ATOM 0 HD22 LEU A 84 0.460 -8.334 -9.425 1.00 0.63 H new ATOM 0 HD23 LEU A 84 0.835 -9.629 -10.587 1.00 0.63 H new ATOM 1230 N ARG A 85 3.056 -11.593 -7.810 1.00 0.43 N ATOM 1231 CA ARG A 85 4.240 -11.936 -6.959 1.00 0.44 C ATOM 1232 C ARG A 85 4.749 -10.673 -6.251 1.00 0.43 C ATOM 1233 O ARG A 85 4.525 -9.566 -6.705 1.00 0.46 O ATOM 1234 CB ARG A 85 5.354 -12.498 -7.848 1.00 0.47 C ATOM 1235 CG ARG A 85 5.249 -14.022 -7.913 1.00 0.79 C ATOM 1236 CD ARG A 85 6.335 -14.565 -8.846 1.00 1.03 C ATOM 1237 NE ARG A 85 5.710 -15.361 -9.940 1.00 0.93 N ATOM 1238 CZ ARG A 85 6.464 -15.957 -10.824 1.00 1.26 C ATOM 1239 NH1 ARG A 85 7.149 -17.021 -10.488 1.00 1.95 N ATOM 1240 NH2 ARG A 85 6.538 -15.486 -12.042 1.00 1.57 N ATOM 0 H ARG A 85 3.121 -10.694 -8.288 1.00 0.43 H new ATOM 0 HA ARG A 85 3.949 -12.678 -6.215 1.00 0.44 H new ATOM 0 HB2 ARG A 85 5.279 -12.077 -8.850 1.00 0.47 H new ATOM 0 HB3 ARG A 85 6.328 -12.208 -7.453 1.00 0.47 H new ATOM 0 HG2 ARG A 85 5.363 -14.449 -6.916 1.00 0.79 H new ATOM 0 HG3 ARG A 85 4.263 -14.315 -8.274 1.00 0.79 H new ATOM 0 HD2 ARG A 85 6.911 -13.741 -9.267 1.00 1.03 H new ATOM 0 HD3 ARG A 85 7.032 -15.187 -8.284 1.00 1.03 H new ATOM 0 HE ARG A 85 4.695 -15.440 -9.998 1.00 0.93 H new ATOM 0 HH11 ARG A 85 7.093 -17.384 -9.536 1.00 1.95 H new ATOM 0 HH12 ARG A 85 7.738 -17.487 -11.178 1.00 1.95 H new ATOM 0 HH21 ARG A 85 6.007 -14.654 -12.300 1.00 1.57 H new ATOM 0 HH22 ARG A 85 7.127 -15.951 -12.734 1.00 1.57 H new ATOM 1254 N LEU A 86 5.434 -10.832 -5.141 1.00 0.46 N ATOM 1255 CA LEU A 86 5.961 -9.643 -4.401 1.00 0.47 C ATOM 1256 C LEU A 86 7.488 -9.572 -4.541 1.00 0.46 C ATOM 1257 O LEU A 86 8.198 -10.505 -4.207 1.00 0.58 O ATOM 1258 CB LEU A 86 5.584 -9.751 -2.920 1.00 0.55 C ATOM 1259 CG LEU A 86 5.524 -8.349 -2.308 1.00 0.69 C ATOM 1260 CD1 LEU A 86 4.118 -8.080 -1.767 1.00 0.71 C ATOM 1261 CD2 LEU A 86 6.541 -8.246 -1.168 1.00 1.07 C ATOM 0 H LEU A 86 5.650 -11.734 -4.717 1.00 0.46 H new ATOM 0 HA LEU A 86 5.523 -8.738 -4.822 1.00 0.47 H new ATOM 0 HB2 LEU A 86 4.620 -10.248 -2.814 1.00 0.55 H new ATOM 0 HB3 LEU A 86 6.316 -10.360 -2.390 1.00 0.55 H new ATOM 0 HG LEU A 86 5.760 -7.611 -3.074 1.00 0.69 H new ATOM 0 HD11 LEU A 86 4.080 -7.081 -1.332 1.00 0.71 H new ATOM 0 HD12 LEU A 86 3.396 -8.149 -2.580 1.00 0.71 H new ATOM 0 HD13 LEU A 86 3.875 -8.818 -1.002 1.00 0.71 H new ATOM 0 HD21 LEU A 86 6.499 -7.248 -0.732 1.00 1.07 H new ATOM 0 HD22 LEU A 86 6.307 -8.986 -0.403 1.00 1.07 H new ATOM 0 HD23 LEU A 86 7.543 -8.430 -1.556 1.00 1.07 H new ATOM 1273 N ILE A 87 7.993 -8.462 -5.035 1.00 0.43 N ATOM 1274 CA ILE A 87 9.474 -8.305 -5.210 1.00 0.45 C ATOM 1275 C ILE A 87 9.954 -7.011 -4.526 1.00 0.44 C ATOM 1276 O ILE A 87 9.188 -6.077 -4.360 1.00 0.43 O ATOM 1277 CB ILE A 87 9.811 -8.244 -6.708 1.00 0.50 C ATOM 1278 CG1 ILE A 87 9.001 -7.125 -7.379 1.00 0.54 C ATOM 1279 CG2 ILE A 87 9.472 -9.585 -7.368 1.00 0.55 C ATOM 1280 CD1 ILE A 87 9.909 -6.314 -8.306 1.00 0.79 C ATOM 0 H ILE A 87 7.439 -7.656 -5.325 1.00 0.43 H new ATOM 0 HA ILE A 87 9.977 -9.158 -4.754 1.00 0.45 H new ATOM 0 HB ILE A 87 10.875 -8.039 -6.826 1.00 0.50 H new ATOM 0 HG12 ILE A 87 8.174 -7.552 -7.947 1.00 0.54 H new ATOM 0 HG13 ILE A 87 8.565 -6.474 -6.621 1.00 0.54 H new ATOM 0 HG21 ILE A 87 9.712 -9.539 -8.430 1.00 0.55 H new ATOM 0 HG22 ILE A 87 10.053 -10.379 -6.899 1.00 0.55 H new ATOM 0 HG23 ILE A 87 8.409 -9.793 -7.245 1.00 0.55 H new ATOM 0 HD11 ILE A 87 9.330 -5.521 -8.780 1.00 0.79 H new ATOM 0 HD12 ILE A 87 10.721 -5.874 -7.727 1.00 0.79 H new ATOM 0 HD13 ILE A 87 10.324 -6.968 -9.073 1.00 0.79 H new ATOM 1292 N PRO A 88 11.219 -6.995 -4.157 1.00 0.49 N ATOM 1293 CA PRO A 88 11.847 -5.833 -3.495 1.00 0.50 C ATOM 1294 C PRO A 88 12.184 -4.744 -4.526 1.00 0.52 C ATOM 1295 O PRO A 88 12.900 -4.982 -5.483 1.00 0.70 O ATOM 1296 CB PRO A 88 13.120 -6.418 -2.874 1.00 0.60 C ATOM 1297 CG PRO A 88 13.444 -7.705 -3.668 1.00 0.66 C ATOM 1298 CD PRO A 88 12.139 -8.136 -4.364 1.00 0.58 C ATOM 0 HA PRO A 88 11.201 -5.358 -2.757 1.00 0.50 H new ATOM 0 HB2 PRO A 88 13.944 -5.707 -2.935 1.00 0.60 H new ATOM 0 HB3 PRO A 88 12.969 -6.641 -1.818 1.00 0.60 H new ATOM 0 HG2 PRO A 88 14.230 -7.521 -4.400 1.00 0.66 H new ATOM 0 HG3 PRO A 88 13.805 -8.489 -3.003 1.00 0.66 H new ATOM 0 HD2 PRO A 88 12.299 -8.330 -5.425 1.00 0.58 H new ATOM 0 HD3 PRO A 88 11.740 -9.052 -3.929 1.00 0.58 H new