USER MOD reduce.3.24.130724 H: found=0, std=0, add=441, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 440 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 TYR OH : rot 140:sc= 0.142 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 9:sc= 0.551 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 37 TYR OH : rot -30:sc= -0.228 USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=-0.057) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 49 HIS : no HD1:sc= -2.54! K(o=-2.5!,f=-1) USER MOD Single : A 50 ASN : amide:sc= -0.115 K(o=-0.12,f=-1) USER MOD Single : A 58 HIS : no HD1:sc= -1.5! C(o=-1.5!,f=-6.1!) USER MOD Single : A 59 GLN : amide:sc= -0.0223 X(o=-0.022,f=-0.37) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 81 N PRO A 9 -0.759 11.339 1.384 1.00 0.00 N ATOM 82 CA PRO A 9 -0.792 9.884 1.213 1.00 0.00 C ATOM 83 C PRO A 9 -1.284 9.474 -0.171 1.00 0.00 C ATOM 84 O PRO A 9 -2.147 10.132 -0.753 1.00 0.00 O ATOM 85 CB PRO A 9 -1.777 9.422 2.289 1.00 0.00 C ATOM 86 CG PRO A 9 -2.656 10.600 2.529 1.00 0.00 C ATOM 87 CD PRO A 9 -1.790 11.812 2.324 1.00 0.00 C ATOM 0 HA PRO A 9 0.199 9.441 1.305 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -2.353 8.560 1.954 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -1.257 9.124 3.200 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -3.501 10.603 1.840 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -3.067 10.581 3.538 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -2.357 12.646 1.912 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -1.352 12.156 3.261 1.00 0.00 H new ATOM 95 N ILE A 10 -0.731 8.384 -0.692 1.00 0.00 N ATOM 96 CA ILE A 10 -1.115 7.887 -2.007 1.00 0.00 C ATOM 97 C ILE A 10 -2.120 6.745 -1.891 1.00 0.00 C ATOM 98 O ILE A 10 -1.842 5.723 -1.265 1.00 0.00 O ATOM 99 CB ILE A 10 0.109 7.400 -2.805 1.00 0.00 C ATOM 100 CG1 ILE A 10 1.128 8.530 -2.957 1.00 0.00 C ATOM 101 CG2 ILE A 10 -0.321 6.879 -4.169 1.00 0.00 C ATOM 102 CD1 ILE A 10 2.496 8.056 -3.396 1.00 0.00 C ATOM 0 H ILE A 10 -0.016 7.828 -0.223 1.00 0.00 H new ATOM 0 HA ILE A 10 -1.575 8.721 -2.537 1.00 0.00 H new ATOM 0 HB ILE A 10 0.580 6.583 -2.258 1.00 0.00 H new ATOM 0 HG12 ILE A 10 0.752 9.252 -3.683 1.00 0.00 H new ATOM 0 HG13 ILE A 10 1.222 9.054 -2.006 1.00 0.00 H new ATOM 0 HG21 ILE A 10 0.555 6.538 -4.721 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -1.014 6.048 -4.039 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -0.813 7.677 -4.725 1.00 0.00 H new ATOM 0 HD11 ILE A 10 3.167 8.911 -3.483 1.00 0.00 H new ATOM 0 HD12 ILE A 10 2.893 7.357 -2.660 1.00 0.00 H new ATOM 0 HD13 ILE A 10 2.416 7.558 -4.362 1.00 0.00 H new ATOM 114 N GLU A 11 -3.287 6.927 -2.501 1.00 0.00 N ATOM 115 CA GLU A 11 -4.332 5.910 -2.466 1.00 0.00 C ATOM 116 C GLU A 11 -4.094 4.849 -3.536 1.00 0.00 C ATOM 117 O GLU A 11 -4.257 5.106 -4.728 1.00 0.00 O ATOM 118 CB GLU A 11 -5.706 6.553 -2.667 1.00 0.00 C ATOM 119 CG GLU A 11 -6.342 7.044 -1.377 1.00 0.00 C ATOM 120 CD GLU A 11 -7.347 8.156 -1.609 1.00 0.00 C ATOM 121 OE1 GLU A 11 -8.146 8.043 -2.563 1.00 0.00 O ATOM 122 OE2 GLU A 11 -7.336 9.138 -0.838 1.00 0.00 O ATOM 0 H GLU A 11 -3.532 7.767 -3.024 1.00 0.00 H new ATOM 0 HA GLU A 11 -4.303 5.429 -1.489 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -5.608 7.392 -3.356 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -6.371 5.829 -3.138 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -6.837 6.210 -0.880 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -5.562 7.399 -0.704 1.00 0.00 H new ATOM 129 N ALA A 12 -3.707 3.654 -3.100 1.00 0.00 N ATOM 130 CA ALA A 12 -3.448 2.553 -4.019 1.00 0.00 C ATOM 131 C ALA A 12 -4.551 1.502 -3.942 1.00 0.00 C ATOM 132 O ALA A 12 -5.438 1.581 -3.091 1.00 0.00 O ATOM 133 CB ALA A 12 -2.095 1.924 -3.721 1.00 0.00 C ATOM 0 H ALA A 12 -3.566 3.424 -2.116 1.00 0.00 H new ATOM 0 HA ALA A 12 -3.435 2.954 -5.033 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -1.915 1.103 -4.415 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -1.312 2.674 -3.835 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -2.088 1.544 -2.699 1.00 0.00 H new ATOM 139 N ILE A 13 -4.490 0.520 -4.835 1.00 0.00 N ATOM 140 CA ILE A 13 -5.483 -0.546 -4.866 1.00 0.00 C ATOM 141 C ILE A 13 -4.818 -1.918 -4.841 1.00 0.00 C ATOM 142 O ILE A 13 -3.909 -2.193 -5.624 1.00 0.00 O ATOM 143 CB ILE A 13 -6.378 -0.445 -6.115 1.00 0.00 C ATOM 144 CG1 ILE A 13 -7.086 0.911 -6.153 1.00 0.00 C ATOM 145 CG2 ILE A 13 -7.392 -1.579 -6.133 1.00 0.00 C ATOM 146 CD1 ILE A 13 -8.042 1.126 -5.000 1.00 0.00 C ATOM 0 H ILE A 13 -3.763 0.441 -5.546 1.00 0.00 H new ATOM 0 HA ILE A 13 -6.100 -0.428 -3.976 1.00 0.00 H new ATOM 0 HB ILE A 13 -5.750 -0.531 -7.002 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -6.337 1.703 -6.146 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -7.635 0.999 -7.091 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -8.017 -1.494 -7.022 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -6.869 -2.535 -6.148 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -8.018 -1.522 -5.242 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -8.508 2.107 -5.092 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -8.813 0.355 -5.018 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -7.495 1.070 -4.059 1.00 0.00 H new ATOM 158 N ALA A 14 -5.279 -2.777 -3.937 1.00 0.00 N ATOM 159 CA ALA A 14 -4.732 -4.122 -3.813 1.00 0.00 C ATOM 160 C ALA A 14 -4.889 -4.901 -5.114 1.00 0.00 C ATOM 161 O ALA A 14 -6.002 -5.086 -5.609 1.00 0.00 O ATOM 162 CB ALA A 14 -5.405 -4.862 -2.667 1.00 0.00 C ATOM 0 H ALA A 14 -6.030 -2.565 -3.280 1.00 0.00 H new ATOM 0 HA ALA A 14 -3.667 -4.036 -3.599 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -4.987 -5.865 -2.586 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -5.235 -4.322 -1.736 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -6.476 -4.930 -2.857 1.00 0.00 H new ATOM 168 N LYS A 15 -3.769 -5.356 -5.665 1.00 0.00 N ATOM 169 CA LYS A 15 -3.782 -6.117 -6.909 1.00 0.00 C ATOM 170 C LYS A 15 -4.309 -7.529 -6.678 1.00 0.00 C ATOM 171 O LYS A 15 -5.066 -8.061 -7.490 1.00 0.00 O ATOM 172 CB LYS A 15 -2.375 -6.177 -7.509 1.00 0.00 C ATOM 173 CG LYS A 15 -2.055 -5.011 -8.428 1.00 0.00 C ATOM 174 CD LYS A 15 -1.070 -5.410 -9.513 1.00 0.00 C ATOM 175 CE LYS A 15 -1.755 -6.184 -10.630 1.00 0.00 C ATOM 176 NZ LYS A 15 -0.870 -6.343 -11.818 1.00 0.00 N ATOM 0 H LYS A 15 -2.840 -5.211 -5.270 1.00 0.00 H new ATOM 0 HA LYS A 15 -4.447 -5.611 -7.609 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -1.645 -6.202 -6.700 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -2.266 -7.108 -8.066 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -2.974 -4.645 -8.886 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -1.641 -4.189 -7.844 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -0.598 -4.517 -9.924 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -0.277 -6.019 -9.080 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -2.050 -7.167 -10.263 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -2.668 -5.666 -10.924 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -1.373 -6.875 -12.557 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -0.609 -5.405 -12.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -0.010 -6.860 -11.544 1.00 0.00 H new ATOM 190 N PHE A 16 -3.904 -8.132 -5.565 1.00 0.00 N ATOM 191 CA PHE A 16 -4.336 -9.483 -5.227 1.00 0.00 C ATOM 192 C PHE A 16 -4.462 -9.652 -3.716 1.00 0.00 C ATOM 193 O PHE A 16 -3.654 -9.123 -2.952 1.00 0.00 O ATOM 194 CB PHE A 16 -3.350 -10.511 -5.786 1.00 0.00 C ATOM 195 CG PHE A 16 -2.726 -10.098 -7.088 1.00 0.00 C ATOM 196 CD1 PHE A 16 -3.352 -10.380 -8.291 1.00 0.00 C ATOM 197 CD2 PHE A 16 -1.514 -9.427 -7.109 1.00 0.00 C ATOM 198 CE1 PHE A 16 -2.780 -10.001 -9.491 1.00 0.00 C ATOM 199 CE2 PHE A 16 -0.937 -9.045 -8.305 1.00 0.00 C ATOM 200 CZ PHE A 16 -1.572 -9.332 -9.498 1.00 0.00 C ATOM 0 H PHE A 16 -3.277 -7.706 -4.882 1.00 0.00 H new ATOM 0 HA PHE A 16 -5.316 -9.647 -5.676 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -2.562 -10.682 -5.053 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -3.867 -11.460 -5.925 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -4.298 -10.902 -8.291 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -1.014 -9.200 -6.179 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -3.277 -10.228 -10.422 1.00 0.00 H new ATOM 0 HE2 PHE A 16 0.009 -8.523 -8.307 1.00 0.00 H new ATOM 0 HZ PHE A 16 -1.124 -9.034 -10.434 1.00 0.00 H new ATOM 210 N ASP A 17 -5.481 -10.391 -3.292 1.00 0.00 N ATOM 211 CA ASP A 17 -5.714 -10.630 -1.872 1.00 0.00 C ATOM 212 C ASP A 17 -4.438 -11.103 -1.184 1.00 0.00 C ATOM 213 O ASP A 17 -4.022 -12.251 -1.346 1.00 0.00 O ATOM 214 CB ASP A 17 -6.824 -11.665 -1.683 1.00 0.00 C ATOM 215 CG ASP A 17 -6.669 -12.856 -2.608 1.00 0.00 C ATOM 216 OD1 ASP A 17 -5.918 -13.789 -2.254 1.00 0.00 O ATOM 217 OD2 ASP A 17 -7.299 -12.855 -3.686 1.00 0.00 O ATOM 0 H ASP A 17 -6.159 -10.835 -3.911 1.00 0.00 H new ATOM 0 HA ASP A 17 -6.023 -9.689 -1.416 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -6.823 -12.009 -0.649 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -7.790 -11.194 -1.861 1.00 0.00 H new ATOM 222 N TYR A 18 -3.819 -10.212 -0.418 1.00 0.00 N ATOM 223 CA TYR A 18 -2.588 -10.537 0.291 1.00 0.00 C ATOM 224 C TYR A 18 -2.826 -10.597 1.797 1.00 0.00 C ATOM 225 O TYR A 18 -3.720 -9.933 2.323 1.00 0.00 O ATOM 226 CB TYR A 18 -1.504 -9.504 -0.024 1.00 0.00 C ATOM 227 CG TYR A 18 -0.121 -9.922 0.421 1.00 0.00 C ATOM 228 CD1 TYR A 18 0.714 -10.642 -0.425 1.00 0.00 C ATOM 229 CD2 TYR A 18 0.351 -9.599 1.687 1.00 0.00 C ATOM 230 CE1 TYR A 18 1.978 -11.027 -0.023 1.00 0.00 C ATOM 231 CE2 TYR A 18 1.614 -9.978 2.097 1.00 0.00 C ATOM 232 CZ TYR A 18 2.424 -10.692 1.238 1.00 0.00 C ATOM 233 OH TYR A 18 3.683 -11.073 1.644 1.00 0.00 O ATOM 0 H TYR A 18 -4.150 -9.258 -0.272 1.00 0.00 H new ATOM 0 HA TYR A 18 -2.254 -11.518 -0.046 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -1.491 -9.320 -1.098 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -1.762 -8.561 0.458 1.00 0.00 H new ATOM 0 HD1 TYR A 18 0.369 -10.905 -1.414 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -0.281 -9.042 2.363 1.00 0.00 H new ATOM 0 HE1 TYR A 18 2.614 -11.587 -0.693 1.00 0.00 H new ATOM 0 HE2 TYR A 18 1.966 -9.717 3.084 1.00 0.00 H new ATOM 0 HH TYR A 18 4.095 -10.347 2.158 1.00 0.00 H new ATOM 243 N VAL A 19 -2.019 -11.398 2.486 1.00 0.00 N ATOM 244 CA VAL A 19 -2.140 -11.545 3.932 1.00 0.00 C ATOM 245 C VAL A 19 -0.786 -11.389 4.615 1.00 0.00 C ATOM 246 O VAL A 19 0.117 -12.201 4.417 1.00 0.00 O ATOM 247 CB VAL A 19 -2.739 -12.913 4.309 1.00 0.00 C ATOM 248 CG1 VAL A 19 -1.857 -14.041 3.797 1.00 0.00 C ATOM 249 CG2 VAL A 19 -2.928 -13.014 5.815 1.00 0.00 C ATOM 0 H VAL A 19 -1.275 -11.955 2.066 1.00 0.00 H new ATOM 0 HA VAL A 19 -2.810 -10.757 4.276 1.00 0.00 H new ATOM 0 HB VAL A 19 -3.717 -13.006 3.836 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -2.296 -15.000 4.073 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -1.778 -13.977 2.712 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -0.864 -13.956 4.239 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -3.352 -13.987 6.064 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -1.964 -12.901 6.311 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -3.603 -12.227 6.151 1.00 0.00 H new ATOM 259 N GLY A 20 -0.652 -10.340 5.420 1.00 0.00 N ATOM 260 CA GLY A 20 0.595 -10.097 6.121 1.00 0.00 C ATOM 261 C GLY A 20 1.063 -11.306 6.907 1.00 0.00 C ATOM 262 O GLY A 20 0.444 -11.687 7.901 1.00 0.00 O ATOM 0 H GLY A 20 -1.385 -9.654 5.599 1.00 0.00 H new ATOM 0 HA2 GLY A 20 1.364 -9.815 5.402 1.00 0.00 H new ATOM 0 HA3 GLY A 20 0.469 -9.253 6.799 1.00 0.00 H new ATOM 266 N ARG A 21 2.159 -11.912 6.461 1.00 0.00 N ATOM 267 CA ARG A 21 2.708 -13.086 7.128 1.00 0.00 C ATOM 268 C ARG A 21 3.136 -12.751 8.554 1.00 0.00 C ATOM 269 O ARG A 21 2.990 -13.567 9.465 1.00 0.00 O ATOM 270 CB ARG A 21 3.901 -13.634 6.342 1.00 0.00 C ATOM 271 CG ARG A 21 3.508 -14.342 5.055 1.00 0.00 C ATOM 272 CD ARG A 21 4.731 -14.831 4.293 1.00 0.00 C ATOM 273 NE ARG A 21 5.357 -15.980 4.942 1.00 0.00 N ATOM 274 CZ ARG A 21 4.956 -17.234 4.761 1.00 0.00 C ATOM 275 NH1 ARG A 21 3.937 -17.498 3.956 1.00 0.00 N ATOM 276 NH2 ARG A 21 5.577 -18.226 5.387 1.00 0.00 N ATOM 0 H ARG A 21 2.684 -11.609 5.641 1.00 0.00 H new ATOM 0 HA ARG A 21 1.928 -13.847 7.170 1.00 0.00 H new ATOM 0 HB2 ARG A 21 4.577 -12.813 6.103 1.00 0.00 H new ATOM 0 HB3 ARG A 21 4.454 -14.328 6.974 1.00 0.00 H new ATOM 0 HG2 ARG A 21 2.860 -15.187 5.287 1.00 0.00 H new ATOM 0 HG3 ARG A 21 2.933 -13.663 4.426 1.00 0.00 H new ATOM 0 HD2 ARG A 21 4.441 -15.102 3.278 1.00 0.00 H new ATOM 0 HD3 ARG A 21 5.456 -14.021 4.212 1.00 0.00 H new ATOM 0 HE ARG A 21 6.144 -15.811 5.568 1.00 0.00 H new ATOM 0 HH11 ARG A 21 3.458 -16.738 3.473 1.00 0.00 H new ATOM 0 HH12 ARG A 21 3.632 -18.462 3.819 1.00 0.00 H new ATOM 0 HH21 ARG A 21 6.362 -18.026 6.007 1.00 0.00 H new ATOM 0 HH22 ARG A 21 5.269 -19.189 5.248 1.00 0.00 H new ATOM 290 N THR A 22 3.665 -11.546 8.740 1.00 0.00 N ATOM 291 CA THR A 22 4.115 -11.104 10.054 1.00 0.00 C ATOM 292 C THR A 22 3.350 -9.866 10.509 1.00 0.00 C ATOM 293 O THR A 22 2.617 -9.257 9.731 1.00 0.00 O ATOM 294 CB THR A 22 5.623 -10.791 10.055 1.00 0.00 C ATOM 295 OG1 THR A 22 5.901 -9.718 9.148 1.00 0.00 O ATOM 296 CG2 THR A 22 6.431 -12.018 9.660 1.00 0.00 C ATOM 0 H THR A 22 3.792 -10.859 7.997 1.00 0.00 H new ATOM 0 HA THR A 22 3.921 -11.923 10.747 1.00 0.00 H new ATOM 0 HB THR A 22 5.910 -10.497 11.065 1.00 0.00 H new ATOM 0 HG1 THR A 22 6.862 -9.524 9.156 1.00 0.00 H new ATOM 0 HG21 THR A 22 7.493 -11.772 9.668 1.00 0.00 H new ATOM 0 HG22 THR A 22 6.240 -12.823 10.369 1.00 0.00 H new ATOM 0 HG23 THR A 22 6.140 -12.339 8.660 1.00 0.00 H new ATOM 304 N ALA A 23 3.527 -9.499 11.774 1.00 0.00 N ATOM 305 CA ALA A 23 2.855 -8.332 12.332 1.00 0.00 C ATOM 306 C ALA A 23 3.185 -7.076 11.534 1.00 0.00 C ATOM 307 O ALA A 23 2.315 -6.242 11.284 1.00 0.00 O ATOM 308 CB ALA A 23 3.242 -8.149 13.793 1.00 0.00 C ATOM 0 H ALA A 23 4.130 -9.993 12.432 1.00 0.00 H new ATOM 0 HA ALA A 23 1.779 -8.498 12.270 1.00 0.00 H new ATOM 0 HB1 ALA A 23 2.733 -7.274 14.197 1.00 0.00 H new ATOM 0 HB2 ALA A 23 2.950 -9.033 14.360 1.00 0.00 H new ATOM 0 HB3 ALA A 23 4.320 -8.009 13.869 1.00 0.00 H new ATOM 314 N ARG A 24 4.447 -6.946 11.138 1.00 0.00 N ATOM 315 CA ARG A 24 4.891 -5.789 10.369 1.00 0.00 C ATOM 316 C ARG A 24 4.055 -5.623 9.104 1.00 0.00 C ATOM 317 O ARG A 24 3.533 -4.542 8.832 1.00 0.00 O ATOM 318 CB ARG A 24 6.369 -5.932 10.001 1.00 0.00 C ATOM 319 CG ARG A 24 7.316 -5.410 11.069 1.00 0.00 C ATOM 320 CD ARG A 24 7.589 -3.924 10.894 1.00 0.00 C ATOM 321 NE ARG A 24 7.954 -3.282 12.154 1.00 0.00 N ATOM 322 CZ ARG A 24 7.066 -2.838 13.036 1.00 0.00 C ATOM 323 NH1 ARG A 24 5.768 -2.967 12.798 1.00 0.00 N ATOM 324 NH2 ARG A 24 7.476 -2.265 14.161 1.00 0.00 N ATOM 0 H ARG A 24 5.180 -7.627 11.337 1.00 0.00 H new ATOM 0 HA ARG A 24 4.761 -4.901 10.988 1.00 0.00 H new ATOM 0 HB2 ARG A 24 6.588 -6.983 9.815 1.00 0.00 H new ATOM 0 HB3 ARG A 24 6.556 -5.398 9.069 1.00 0.00 H new ATOM 0 HG2 ARG A 24 6.888 -5.589 12.055 1.00 0.00 H new ATOM 0 HG3 ARG A 24 8.255 -5.961 11.025 1.00 0.00 H new ATOM 0 HD2 ARG A 24 8.393 -3.786 10.171 1.00 0.00 H new ATOM 0 HD3 ARG A 24 6.704 -3.439 10.483 1.00 0.00 H new ATOM 0 HE ARG A 24 8.945 -3.168 12.368 1.00 0.00 H new ATOM 0 HH11 ARG A 24 5.449 -3.408 11.935 1.00 0.00 H new ATOM 0 HH12 ARG A 24 5.088 -2.625 13.477 1.00 0.00 H new ATOM 0 HH21 ARG A 24 8.474 -2.165 14.348 1.00 0.00 H new ATOM 0 HH22 ARG A 24 6.793 -1.924 14.838 1.00 0.00 H new ATOM 338 N GLU A 25 3.933 -6.701 8.336 1.00 0.00 N ATOM 339 CA GLU A 25 3.161 -6.673 7.099 1.00 0.00 C ATOM 340 C GLU A 25 1.681 -6.435 7.386 1.00 0.00 C ATOM 341 O GLU A 25 1.254 -6.432 8.542 1.00 0.00 O ATOM 342 CB GLU A 25 3.338 -7.984 6.331 1.00 0.00 C ATOM 343 CG GLU A 25 4.497 -7.962 5.348 1.00 0.00 C ATOM 344 CD GLU A 25 4.081 -7.496 3.967 1.00 0.00 C ATOM 345 OE1 GLU A 25 3.874 -6.277 3.790 1.00 0.00 O ATOM 346 OE2 GLU A 25 3.963 -8.349 3.062 1.00 0.00 O ATOM 0 H GLU A 25 4.358 -7.604 8.548 1.00 0.00 H new ATOM 0 HA GLU A 25 3.532 -5.850 6.489 1.00 0.00 H new ATOM 0 HB2 GLU A 25 3.492 -8.795 7.043 1.00 0.00 H new ATOM 0 HB3 GLU A 25 2.418 -8.206 5.790 1.00 0.00 H new ATOM 0 HG2 GLU A 25 5.279 -7.305 5.729 1.00 0.00 H new ATOM 0 HG3 GLU A 25 4.927 -8.961 5.276 1.00 0.00 H new ATOM 353 N LEU A 26 0.903 -6.236 6.328 1.00 0.00 N ATOM 354 CA LEU A 26 -0.529 -5.997 6.465 1.00 0.00 C ATOM 355 C LEU A 26 -1.328 -6.953 5.585 1.00 0.00 C ATOM 356 O LEU A 26 -0.912 -7.284 4.475 1.00 0.00 O ATOM 357 CB LEU A 26 -0.862 -4.550 6.098 1.00 0.00 C ATOM 358 CG LEU A 26 -0.058 -3.471 6.825 1.00 0.00 C ATOM 359 CD1 LEU A 26 -0.343 -2.101 6.230 1.00 0.00 C ATOM 360 CD2 LEU A 26 -0.373 -3.484 8.314 1.00 0.00 C ATOM 0 H LEU A 26 1.240 -6.235 5.365 1.00 0.00 H new ATOM 0 HA LEU A 26 -0.804 -6.174 7.505 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -0.713 -4.425 5.025 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -1.921 -4.381 6.295 1.00 0.00 H new ATOM 0 HG LEU A 26 1.003 -3.687 6.696 1.00 0.00 H new ATOM 0 HD11 LEU A 26 0.238 -1.346 6.760 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -0.066 -2.098 5.176 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -1.405 -1.876 6.327 1.00 0.00 H new ATOM 0 HD21 LEU A 26 0.208 -2.710 8.816 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -1.436 -3.294 8.463 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -0.117 -4.458 8.732 1.00 0.00 H new ATOM 372 N SER A 27 -2.477 -7.392 6.088 1.00 0.00 N ATOM 373 CA SER A 27 -3.334 -8.311 5.348 1.00 0.00 C ATOM 374 C SER A 27 -4.509 -7.570 4.718 1.00 0.00 C ATOM 375 O SER A 27 -5.311 -6.948 5.414 1.00 0.00 O ATOM 376 CB SER A 27 -3.849 -9.416 6.272 1.00 0.00 C ATOM 377 OG SER A 27 -4.851 -8.925 7.145 1.00 0.00 O ATOM 0 H SER A 27 -2.836 -7.126 7.005 1.00 0.00 H new ATOM 0 HA SER A 27 -2.741 -8.760 4.551 1.00 0.00 H new ATOM 0 HB2 SER A 27 -4.251 -10.235 5.676 1.00 0.00 H new ATOM 0 HB3 SER A 27 -3.022 -9.822 6.854 1.00 0.00 H new ATOM 0 HG SER A 27 -5.097 -8.014 6.881 1.00 0.00 H new ATOM 383 N PHE A 28 -4.605 -7.643 3.394 1.00 0.00 N ATOM 384 CA PHE A 28 -5.681 -6.979 2.668 1.00 0.00 C ATOM 385 C PHE A 28 -6.257 -7.895 1.592 1.00 0.00 C ATOM 386 O PHE A 28 -5.684 -8.938 1.276 1.00 0.00 O ATOM 387 CB PHE A 28 -5.172 -5.683 2.032 1.00 0.00 C ATOM 388 CG PHE A 28 -3.902 -5.858 1.249 1.00 0.00 C ATOM 389 CD1 PHE A 28 -3.930 -6.376 -0.035 1.00 0.00 C ATOM 390 CD2 PHE A 28 -2.680 -5.505 1.799 1.00 0.00 C ATOM 391 CE1 PHE A 28 -2.763 -6.538 -0.758 1.00 0.00 C ATOM 392 CE2 PHE A 28 -1.510 -5.664 1.081 1.00 0.00 C ATOM 393 CZ PHE A 28 -1.551 -6.182 -0.199 1.00 0.00 C ATOM 0 H PHE A 28 -3.951 -8.155 2.803 1.00 0.00 H new ATOM 0 HA PHE A 28 -6.472 -6.740 3.379 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -5.943 -5.283 1.374 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -5.007 -4.943 2.816 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -4.875 -6.657 -0.477 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -2.642 -5.101 2.800 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -2.799 -6.942 -1.759 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -0.564 -5.383 1.520 1.00 0.00 H new ATOM 0 HZ PHE A 28 -0.638 -6.308 -0.761 1.00 0.00 H new ATOM 403 N LYS A 29 -7.394 -7.498 1.032 1.00 0.00 N ATOM 404 CA LYS A 29 -8.049 -8.280 -0.009 1.00 0.00 C ATOM 405 C LYS A 29 -8.084 -7.513 -1.327 1.00 0.00 C ATOM 406 O LYS A 29 -8.343 -6.309 -1.350 1.00 0.00 O ATOM 407 CB LYS A 29 -9.473 -8.645 0.418 1.00 0.00 C ATOM 408 CG LYS A 29 -9.530 -9.537 1.646 1.00 0.00 C ATOM 409 CD LYS A 29 -9.255 -10.989 1.294 1.00 0.00 C ATOM 410 CE LYS A 29 -10.517 -11.696 0.822 1.00 0.00 C ATOM 411 NZ LYS A 29 -10.205 -12.940 0.066 1.00 0.00 N ATOM 0 H LYS A 29 -7.882 -6.638 1.282 1.00 0.00 H new ATOM 0 HA LYS A 29 -7.474 -9.194 -0.156 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -10.029 -7.729 0.618 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -9.974 -9.148 -0.409 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -8.800 -9.195 2.379 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -10.512 -9.454 2.112 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -8.496 -11.038 0.514 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -8.851 -11.506 2.165 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -11.140 -11.940 1.682 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -11.096 -11.022 0.190 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -11.091 -13.393 -0.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -9.632 -12.704 -0.769 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -9.674 -13.594 0.677 1.00 0.00 H new ATOM 425 N LYS A 30 -7.821 -8.216 -2.423 1.00 0.00 N ATOM 426 CA LYS A 30 -7.825 -7.602 -3.746 1.00 0.00 C ATOM 427 C LYS A 30 -8.947 -6.576 -3.867 1.00 0.00 C ATOM 428 O LYS A 30 -10.104 -6.870 -3.570 1.00 0.00 O ATOM 429 CB LYS A 30 -7.980 -8.673 -4.827 1.00 0.00 C ATOM 430 CG LYS A 30 -8.037 -8.111 -6.237 1.00 0.00 C ATOM 431 CD LYS A 30 -8.097 -9.217 -7.277 1.00 0.00 C ATOM 432 CE LYS A 30 -8.160 -8.653 -8.688 1.00 0.00 C ATOM 433 NZ LYS A 30 -8.495 -9.701 -9.691 1.00 0.00 N ATOM 0 H LYS A 30 -7.602 -9.212 -2.422 1.00 0.00 H new ATOM 0 HA LYS A 30 -6.873 -7.090 -3.884 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -7.146 -9.371 -4.757 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -8.889 -9.242 -4.635 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -8.911 -7.468 -6.338 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -7.161 -7.488 -6.417 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -7.221 -9.858 -7.179 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -8.971 -9.842 -7.095 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -8.907 -7.860 -8.729 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -7.201 -8.201 -8.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -8.528 -9.276 -10.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -7.769 -10.446 -9.671 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -9.422 -10.115 -9.465 1.00 0.00 H new ATOM 447 N GLY A 31 -8.597 -5.371 -4.305 1.00 0.00 N ATOM 448 CA GLY A 31 -9.586 -4.321 -4.459 1.00 0.00 C ATOM 449 C GLY A 31 -9.615 -3.374 -3.276 1.00 0.00 C ATOM 450 O GLY A 31 -9.826 -2.172 -3.439 1.00 0.00 O ATOM 0 H GLY A 31 -7.645 -5.103 -4.556 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -9.374 -3.757 -5.367 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -10.571 -4.770 -4.585 1.00 0.00 H new ATOM 454 N ALA A 32 -9.404 -3.916 -2.081 1.00 0.00 N ATOM 455 CA ALA A 32 -9.406 -3.111 -0.866 1.00 0.00 C ATOM 456 C ALA A 32 -8.549 -1.861 -1.033 1.00 0.00 C ATOM 457 O ALA A 32 -7.526 -1.886 -1.719 1.00 0.00 O ATOM 458 CB ALA A 32 -8.916 -3.936 0.315 1.00 0.00 C ATOM 0 H ALA A 32 -9.230 -4.909 -1.929 1.00 0.00 H new ATOM 0 HA ALA A 32 -10.431 -2.793 -0.673 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -8.923 -3.322 1.216 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -9.572 -4.795 0.456 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -7.901 -4.283 0.120 1.00 0.00 H new ATOM 464 N SER A 33 -8.972 -0.770 -0.404 1.00 0.00 N ATOM 465 CA SER A 33 -8.245 0.492 -0.487 1.00 0.00 C ATOM 466 C SER A 33 -7.088 0.518 0.507 1.00 0.00 C ATOM 467 O SER A 33 -7.267 0.242 1.694 1.00 0.00 O ATOM 468 CB SER A 33 -9.187 1.667 -0.222 1.00 0.00 C ATOM 469 OG SER A 33 -8.490 2.900 -0.267 1.00 0.00 O ATOM 0 H SER A 33 -9.815 -0.734 0.169 1.00 0.00 H new ATOM 0 HA SER A 33 -7.838 0.583 -1.494 1.00 0.00 H new ATOM 0 HB2 SER A 33 -9.986 1.670 -0.963 1.00 0.00 H new ATOM 0 HB3 SER A 33 -9.657 1.547 0.754 1.00 0.00 H new ATOM 0 HG SER A 33 -9.115 3.635 -0.096 1.00 0.00 H new ATOM 475 N LEU A 34 -5.900 0.852 0.014 1.00 0.00 N ATOM 476 CA LEU A 34 -4.712 0.916 0.858 1.00 0.00 C ATOM 477 C LEU A 34 -4.041 2.281 0.751 1.00 0.00 C ATOM 478 O LEU A 34 -3.857 2.811 -0.346 1.00 0.00 O ATOM 479 CB LEU A 34 -3.723 -0.183 0.464 1.00 0.00 C ATOM 480 CG LEU A 34 -4.302 -1.593 0.338 1.00 0.00 C ATOM 481 CD1 LEU A 34 -3.495 -2.414 -0.656 1.00 0.00 C ATOM 482 CD2 LEU A 34 -4.337 -2.279 1.695 1.00 0.00 C ATOM 0 H LEU A 34 -5.734 1.083 -0.966 1.00 0.00 H new ATOM 0 HA LEU A 34 -5.022 0.764 1.892 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -3.270 0.089 -0.489 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -2.922 -0.205 1.203 1.00 0.00 H new ATOM 0 HG LEU A 34 -5.324 -1.514 -0.032 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -3.921 -3.414 -0.733 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -3.522 -1.932 -1.633 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -2.462 -2.485 -0.315 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -4.752 -3.281 1.586 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -3.325 -2.347 2.095 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -4.959 -1.701 2.379 1.00 0.00 H new ATOM 494 N LEU A 35 -3.675 2.846 1.897 1.00 0.00 N ATOM 495 CA LEU A 35 -3.021 4.149 1.933 1.00 0.00 C ATOM 496 C LEU A 35 -1.506 3.997 2.032 1.00 0.00 C ATOM 497 O LEU A 35 -1.005 3.115 2.731 1.00 0.00 O ATOM 498 CB LEU A 35 -3.540 4.970 3.115 1.00 0.00 C ATOM 499 CG LEU A 35 -3.437 6.489 2.975 1.00 0.00 C ATOM 500 CD1 LEU A 35 -4.375 6.989 1.887 1.00 0.00 C ATOM 501 CD2 LEU A 35 -3.744 7.169 4.301 1.00 0.00 C ATOM 0 H LEU A 35 -3.820 2.422 2.813 1.00 0.00 H new ATOM 0 HA LEU A 35 -3.255 4.670 1.005 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -4.586 4.711 3.280 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -2.992 4.670 4.008 1.00 0.00 H new ATOM 0 HG LEU A 35 -2.416 6.740 2.689 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -4.288 8.072 1.801 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -4.108 6.527 0.936 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -5.402 6.726 2.143 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -3.666 8.250 4.182 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -4.755 6.911 4.617 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -3.032 6.834 5.055 1.00 0.00 H new ATOM 513 N LEU A 36 -0.783 4.862 1.330 1.00 0.00 N ATOM 514 CA LEU A 36 0.675 4.825 1.340 1.00 0.00 C ATOM 515 C LEU A 36 1.249 6.131 1.881 1.00 0.00 C ATOM 516 O LEU A 36 0.753 7.214 1.572 1.00 0.00 O ATOM 517 CB LEU A 36 1.209 4.566 -0.070 1.00 0.00 C ATOM 518 CG LEU A 36 0.717 3.287 -0.749 1.00 0.00 C ATOM 519 CD1 LEU A 36 1.414 3.091 -2.086 1.00 0.00 C ATOM 520 CD2 LEU A 36 0.943 2.083 0.154 1.00 0.00 C ATOM 0 H LEU A 36 -1.182 5.597 0.747 1.00 0.00 H new ATOM 0 HA LEU A 36 0.988 4.012 1.995 1.00 0.00 H new ATOM 0 HB2 LEU A 36 0.941 5.414 -0.700 1.00 0.00 H new ATOM 0 HB3 LEU A 36 2.298 4.534 -0.025 1.00 0.00 H new ATOM 0 HG LEU A 36 -0.353 3.384 -0.931 1.00 0.00 H new ATOM 0 HD11 LEU A 36 1.051 2.176 -2.555 1.00 0.00 H new ATOM 0 HD12 LEU A 36 1.201 3.940 -2.735 1.00 0.00 H new ATOM 0 HD13 LEU A 36 2.490 3.016 -1.928 1.00 0.00 H new ATOM 0 HD21 LEU A 36 0.587 1.182 -0.345 1.00 0.00 H new ATOM 0 HD22 LEU A 36 2.007 1.983 0.368 1.00 0.00 H new ATOM 0 HD23 LEU A 36 0.397 2.221 1.087 1.00 0.00 H new ATOM 532 N TYR A 37 2.299 6.020 2.688 1.00 0.00 N ATOM 533 CA TYR A 37 2.940 7.191 3.272 1.00 0.00 C ATOM 534 C TYR A 37 4.345 7.381 2.709 1.00 0.00 C ATOM 535 O TYR A 37 4.716 8.479 2.293 1.00 0.00 O ATOM 536 CB TYR A 37 3.003 7.058 4.795 1.00 0.00 C ATOM 537 CG TYR A 37 1.645 6.941 5.449 1.00 0.00 C ATOM 538 CD1 TYR A 37 0.605 7.790 5.091 1.00 0.00 C ATOM 539 CD2 TYR A 37 1.403 5.983 6.426 1.00 0.00 C ATOM 540 CE1 TYR A 37 -0.638 7.687 5.687 1.00 0.00 C ATOM 541 CE2 TYR A 37 0.163 5.872 7.025 1.00 0.00 C ATOM 542 CZ TYR A 37 -0.854 6.726 6.653 1.00 0.00 C ATOM 543 OH TYR A 37 -2.089 6.620 7.249 1.00 0.00 O ATOM 0 H TYR A 37 2.724 5.131 2.952 1.00 0.00 H new ATOM 0 HA TYR A 37 2.343 8.066 3.014 1.00 0.00 H new ATOM 0 HB2 TYR A 37 3.597 6.180 5.050 1.00 0.00 H new ATOM 0 HB3 TYR A 37 3.521 7.924 5.206 1.00 0.00 H new ATOM 0 HD1 TYR A 37 0.770 8.543 4.335 1.00 0.00 H new ATOM 0 HD2 TYR A 37 2.198 5.314 6.722 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -1.436 8.355 5.398 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -0.009 5.120 7.781 1.00 0.00 H new ATOM 0 HH TYR A 37 -2.518 7.501 7.271 1.00 0.00 H new ATOM 553 N GLN A 38 5.122 6.302 2.698 1.00 0.00 N ATOM 554 CA GLN A 38 6.486 6.349 2.186 1.00 0.00 C ATOM 555 C GLN A 38 6.903 4.994 1.624 1.00 0.00 C ATOM 556 O GLN A 38 6.452 3.950 2.095 1.00 0.00 O ATOM 557 CB GLN A 38 7.454 6.777 3.290 1.00 0.00 C ATOM 558 CG GLN A 38 7.587 8.284 3.433 1.00 0.00 C ATOM 559 CD GLN A 38 8.275 8.690 4.721 1.00 0.00 C ATOM 560 OE1 GLN A 38 9.259 8.075 5.134 1.00 0.00 O ATOM 561 NE2 GLN A 38 7.761 9.732 5.365 1.00 0.00 N ATOM 0 H GLN A 38 4.830 5.386 3.038 1.00 0.00 H new ATOM 0 HA GLN A 38 6.520 7.082 1.380 1.00 0.00 H new ATOM 0 HB2 GLN A 38 7.118 6.359 4.239 1.00 0.00 H new ATOM 0 HB3 GLN A 38 8.437 6.352 3.085 1.00 0.00 H new ATOM 0 HG2 GLN A 38 8.149 8.677 2.586 1.00 0.00 H new ATOM 0 HG3 GLN A 38 6.596 8.737 3.396 1.00 0.00 H new ATOM 0 HE21 GLN A 38 6.945 10.213 4.987 1.00 0.00 H new ATOM 0 HE22 GLN A 38 8.183 10.051 6.237 1.00 0.00 H new ATOM 570 N ARG A 39 7.768 5.018 0.615 1.00 0.00 N ATOM 571 CA ARG A 39 8.245 3.791 -0.012 1.00 0.00 C ATOM 572 C ARG A 39 9.396 3.185 0.786 1.00 0.00 C ATOM 573 O ARG A 39 10.543 3.610 0.660 1.00 0.00 O ATOM 574 CB ARG A 39 8.696 4.068 -1.447 1.00 0.00 C ATOM 575 CG ARG A 39 9.261 2.847 -2.154 1.00 0.00 C ATOM 576 CD ARG A 39 8.175 2.078 -2.891 1.00 0.00 C ATOM 577 NE ARG A 39 8.724 1.228 -3.944 1.00 0.00 N ATOM 578 CZ ARG A 39 8.998 1.661 -5.169 1.00 0.00 C ATOM 579 NH1 ARG A 39 8.775 2.927 -5.494 1.00 0.00 N ATOM 580 NH2 ARG A 39 9.497 0.828 -6.073 1.00 0.00 N ATOM 0 H ARG A 39 8.153 5.874 0.214 1.00 0.00 H new ATOM 0 HA ARG A 39 7.421 3.077 -0.029 1.00 0.00 H new ATOM 0 HB2 ARG A 39 7.849 4.449 -2.018 1.00 0.00 H new ATOM 0 HB3 ARG A 39 9.452 4.853 -1.436 1.00 0.00 H new ATOM 0 HG2 ARG A 39 10.031 3.158 -2.860 1.00 0.00 H new ATOM 0 HG3 ARG A 39 9.741 2.193 -1.426 1.00 0.00 H new ATOM 0 HD2 ARG A 39 7.621 1.464 -2.181 1.00 0.00 H new ATOM 0 HD3 ARG A 39 7.465 2.781 -3.326 1.00 0.00 H new ATOM 0 HE ARG A 39 8.907 0.248 -3.727 1.00 0.00 H new ATOM 0 HH11 ARG A 39 8.392 3.571 -4.802 1.00 0.00 H new ATOM 0 HH12 ARG A 39 8.987 3.257 -6.436 1.00 0.00 H new ATOM 0 HH21 ARG A 39 9.671 -0.147 -5.827 1.00 0.00 H new ATOM 0 HH22 ARG A 39 9.707 1.162 -7.014 1.00 0.00 H new ATOM 594 N ALA A 40 9.079 2.189 1.608 1.00 0.00 N ATOM 595 CA ALA A 40 10.086 1.523 2.425 1.00 0.00 C ATOM 596 C ALA A 40 11.195 0.935 1.559 1.00 0.00 C ATOM 597 O ALA A 40 12.376 1.037 1.892 1.00 0.00 O ATOM 598 CB ALA A 40 9.443 0.436 3.273 1.00 0.00 C ATOM 0 H ALA A 40 8.133 1.826 1.725 1.00 0.00 H new ATOM 0 HA ALA A 40 10.533 2.267 3.085 1.00 0.00 H new ATOM 0 HB1 ALA A 40 10.207 -0.053 3.878 1.00 0.00 H new ATOM 0 HB2 ALA A 40 8.692 0.881 3.926 1.00 0.00 H new ATOM 0 HB3 ALA A 40 8.969 -0.300 2.623 1.00 0.00 H new ATOM 604 N SER A 41 10.807 0.319 0.447 1.00 0.00 N ATOM 605 CA SER A 41 11.769 -0.289 -0.465 1.00 0.00 C ATOM 606 C SER A 41 11.141 -0.529 -1.835 1.00 0.00 C ATOM 607 O SER A 41 9.918 -0.549 -1.975 1.00 0.00 O ATOM 608 CB SER A 41 12.284 -1.609 0.111 1.00 0.00 C ATOM 609 OG SER A 41 13.612 -1.867 -0.313 1.00 0.00 O ATOM 0 H SER A 41 9.834 0.228 0.156 1.00 0.00 H new ATOM 0 HA SER A 41 12.606 0.399 -0.584 1.00 0.00 H new ATOM 0 HB2 SER A 41 12.247 -1.573 1.200 1.00 0.00 H new ATOM 0 HB3 SER A 41 11.633 -2.425 -0.203 1.00 0.00 H new ATOM 0 HG SER A 41 13.919 -2.715 0.070 1.00 0.00 H new ATOM 615 N ASP A 42 11.988 -0.712 -2.842 1.00 0.00 N ATOM 616 CA ASP A 42 11.518 -0.952 -4.202 1.00 0.00 C ATOM 617 C ASP A 42 10.452 -2.042 -4.224 1.00 0.00 C ATOM 618 O ASP A 42 9.515 -1.992 -5.021 1.00 0.00 O ATOM 619 CB ASP A 42 12.687 -1.346 -5.106 1.00 0.00 C ATOM 620 CG ASP A 42 13.895 -0.451 -4.914 1.00 0.00 C ATOM 621 OD1 ASP A 42 13.983 0.583 -5.609 1.00 0.00 O ATOM 622 OD2 ASP A 42 14.754 -0.784 -4.070 1.00 0.00 O ATOM 0 H ASP A 42 13.003 -0.699 -2.743 1.00 0.00 H new ATOM 0 HA ASP A 42 11.075 -0.029 -4.575 1.00 0.00 H new ATOM 0 HB2 ASP A 42 12.968 -2.379 -4.902 1.00 0.00 H new ATOM 0 HB3 ASP A 42 12.368 -1.302 -6.147 1.00 0.00 H new ATOM 627 N ASP A 43 10.601 -3.027 -3.344 1.00 0.00 N ATOM 628 CA ASP A 43 9.651 -4.130 -3.263 1.00 0.00 C ATOM 629 C ASP A 43 8.870 -4.078 -1.953 1.00 0.00 C ATOM 630 O ASP A 43 8.490 -5.112 -1.405 1.00 0.00 O ATOM 631 CB ASP A 43 10.380 -5.469 -3.383 1.00 0.00 C ATOM 632 CG ASP A 43 10.548 -5.909 -4.824 1.00 0.00 C ATOM 633 OD1 ASP A 43 11.495 -5.431 -5.484 1.00 0.00 O ATOM 634 OD2 ASP A 43 9.734 -6.732 -5.292 1.00 0.00 O ATOM 0 H ASP A 43 11.371 -3.084 -2.677 1.00 0.00 H new ATOM 0 HA ASP A 43 8.947 -4.033 -4.090 1.00 0.00 H new ATOM 0 HB2 ASP A 43 11.361 -5.389 -2.914 1.00 0.00 H new ATOM 0 HB3 ASP A 43 9.826 -6.231 -2.835 1.00 0.00 H new ATOM 639 N TRP A 44 8.634 -2.868 -1.459 1.00 0.00 N ATOM 640 CA TRP A 44 7.899 -2.682 -0.213 1.00 0.00 C ATOM 641 C TRP A 44 7.391 -1.250 -0.090 1.00 0.00 C ATOM 642 O TRP A 44 7.821 -0.363 -0.828 1.00 0.00 O ATOM 643 CB TRP A 44 8.788 -3.025 0.984 1.00 0.00 C ATOM 644 CG TRP A 44 9.080 -4.490 1.106 1.00 0.00 C ATOM 645 CD1 TRP A 44 10.300 -5.094 1.001 1.00 0.00 C ATOM 646 CD2 TRP A 44 8.133 -5.535 1.353 1.00 0.00 C ATOM 647 NE1 TRP A 44 10.169 -6.451 1.169 1.00 0.00 N ATOM 648 CE2 TRP A 44 8.850 -6.747 1.387 1.00 0.00 C ATOM 649 CE3 TRP A 44 6.750 -5.565 1.552 1.00 0.00 C ATOM 650 CZ2 TRP A 44 8.228 -7.973 1.610 1.00 0.00 C ATOM 651 CZ3 TRP A 44 6.135 -6.782 1.772 1.00 0.00 C ATOM 652 CH2 TRP A 44 6.873 -7.973 1.801 1.00 0.00 C ATOM 0 H TRP A 44 8.941 -2.002 -1.902 1.00 0.00 H new ATOM 0 HA TRP A 44 7.040 -3.353 -0.223 1.00 0.00 H new ATOM 0 HB2 TRP A 44 9.728 -2.480 0.897 1.00 0.00 H new ATOM 0 HB3 TRP A 44 8.304 -2.681 1.898 1.00 0.00 H new ATOM 0 HD1 TRP A 44 11.231 -4.580 0.813 1.00 0.00 H new ATOM 0 HE1 TRP A 44 10.931 -7.128 1.137 1.00 0.00 H new ATOM 0 HE3 TRP A 44 6.172 -4.653 1.534 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 8.795 -8.892 1.631 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 5.066 -6.816 1.924 1.00 0.00 H new ATOM 0 HH2 TRP A 44 6.363 -8.908 1.977 1.00 0.00 H new ATOM 663 N TRP A 45 6.474 -1.031 0.846 1.00 0.00 N ATOM 664 CA TRP A 45 5.907 0.295 1.064 1.00 0.00 C ATOM 665 C TRP A 45 5.600 0.519 2.541 1.00 0.00 C ATOM 666 O TRP A 45 5.567 -0.427 3.327 1.00 0.00 O ATOM 667 CB TRP A 45 4.636 0.473 0.233 1.00 0.00 C ATOM 668 CG TRP A 45 4.905 0.874 -1.186 1.00 0.00 C ATOM 669 CD1 TRP A 45 5.223 0.047 -2.225 1.00 0.00 C ATOM 670 CD2 TRP A 45 4.881 2.202 -1.720 1.00 0.00 C ATOM 671 NE1 TRP A 45 5.398 0.781 -3.373 1.00 0.00 N ATOM 672 CE2 TRP A 45 5.193 2.106 -3.090 1.00 0.00 C ATOM 673 CE3 TRP A 45 4.624 3.463 -1.175 1.00 0.00 C ATOM 674 CZ2 TRP A 45 5.256 3.222 -3.919 1.00 0.00 C ATOM 675 CZ3 TRP A 45 4.687 4.570 -1.999 1.00 0.00 C ATOM 676 CH2 TRP A 45 5.000 4.444 -3.359 1.00 0.00 C ATOM 0 H TRP A 45 6.108 -1.754 1.465 1.00 0.00 H new ATOM 0 HA TRP A 45 6.644 1.034 0.749 1.00 0.00 H new ATOM 0 HB2 TRP A 45 4.073 -0.460 0.239 1.00 0.00 H new ATOM 0 HB3 TRP A 45 4.006 1.228 0.703 1.00 0.00 H new ATOM 0 HD1 TRP A 45 5.322 -1.026 -2.155 1.00 0.00 H new ATOM 0 HE1 TRP A 45 5.641 0.401 -4.288 1.00 0.00 H new ATOM 0 HE3 TRP A 45 4.380 3.570 -0.128 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 5.498 3.127 -4.967 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 4.492 5.549 -1.588 1.00 0.00 H new ATOM 0 HH2 TRP A 45 5.040 5.329 -3.977 1.00 0.00 H new ATOM 687 N GLU A 46 5.374 1.776 2.910 1.00 0.00 N ATOM 688 CA GLU A 46 5.070 2.122 4.294 1.00 0.00 C ATOM 689 C GLU A 46 3.798 2.961 4.378 1.00 0.00 C ATOM 690 O GLU A 46 3.829 4.176 4.185 1.00 0.00 O ATOM 691 CB GLU A 46 6.239 2.884 4.921 1.00 0.00 C ATOM 692 CG GLU A 46 7.524 2.076 4.994 1.00 0.00 C ATOM 693 CD GLU A 46 8.391 2.464 6.175 1.00 0.00 C ATOM 694 OE1 GLU A 46 8.660 3.672 6.341 1.00 0.00 O ATOM 695 OE2 GLU A 46 8.801 1.560 6.933 1.00 0.00 O ATOM 0 H GLU A 46 5.396 2.571 2.271 1.00 0.00 H new ATOM 0 HA GLU A 46 4.911 1.196 4.847 1.00 0.00 H new ATOM 0 HB2 GLU A 46 6.422 3.790 4.344 1.00 0.00 H new ATOM 0 HB3 GLU A 46 5.959 3.198 5.927 1.00 0.00 H new ATOM 0 HG2 GLU A 46 7.279 1.016 5.061 1.00 0.00 H new ATOM 0 HG3 GLU A 46 8.089 2.215 4.072 1.00 0.00 H new ATOM 702 N GLY A 47 2.679 2.302 4.665 1.00 0.00 N ATOM 703 CA GLY A 47 1.412 3.002 4.769 1.00 0.00 C ATOM 704 C GLY A 47 0.561 2.493 5.915 1.00 0.00 C ATOM 705 O GLY A 47 1.084 2.084 6.952 1.00 0.00 O ATOM 0 H GLY A 47 2.628 1.296 4.827 1.00 0.00 H new ATOM 0 HA2 GLY A 47 1.599 4.067 4.905 1.00 0.00 H new ATOM 0 HA3 GLY A 47 0.862 2.891 3.835 1.00 0.00 H new ATOM 709 N ARG A 48 -0.755 2.519 5.729 1.00 0.00 N ATOM 710 CA ARG A 48 -1.681 2.059 6.757 1.00 0.00 C ATOM 711 C ARG A 48 -2.916 1.420 6.130 1.00 0.00 C ATOM 712 O ARG A 48 -3.519 1.978 5.213 1.00 0.00 O ATOM 713 CB ARG A 48 -2.097 3.225 7.657 1.00 0.00 C ATOM 714 CG ARG A 48 -3.156 2.854 8.682 1.00 0.00 C ATOM 715 CD ARG A 48 -3.424 4.000 9.645 1.00 0.00 C ATOM 716 NE ARG A 48 -2.317 4.202 10.576 1.00 0.00 N ATOM 717 CZ ARG A 48 -2.437 4.846 11.732 1.00 0.00 C ATOM 718 NH1 ARG A 48 -3.610 5.346 12.097 1.00 0.00 N ATOM 719 NH2 ARG A 48 -1.384 4.989 12.526 1.00 0.00 N ATOM 0 H ARG A 48 -1.204 2.854 4.876 1.00 0.00 H new ATOM 0 HA ARG A 48 -1.171 1.307 7.360 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -1.217 3.604 8.177 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -2.474 4.037 7.035 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -4.080 2.583 8.171 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -2.832 1.976 9.241 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -3.594 4.916 9.080 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -4.337 3.797 10.205 1.00 0.00 H new ATOM 0 HE ARG A 48 -1.402 3.828 10.325 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -4.422 5.236 11.490 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -3.700 5.840 12.985 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -0.481 4.604 12.249 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -1.478 5.484 13.413 1.00 0.00 H new ATOM 733 N HIS A 49 -3.288 0.246 6.631 1.00 0.00 N ATOM 734 CA HIS A 49 -4.452 -0.470 6.120 1.00 0.00 C ATOM 735 C HIS A 49 -5.478 -0.698 7.226 1.00 0.00 C ATOM 736 O HIS A 49 -5.129 -1.093 8.337 1.00 0.00 O ATOM 737 CB HIS A 49 -4.028 -1.809 5.516 1.00 0.00 C ATOM 738 CG HIS A 49 -5.148 -2.798 5.409 1.00 0.00 C ATOM 739 ND1 HIS A 49 -5.254 -3.906 6.223 1.00 0.00 N ATOM 740 CD2 HIS A 49 -6.215 -2.840 4.578 1.00 0.00 C ATOM 741 CE1 HIS A 49 -6.337 -4.588 5.896 1.00 0.00 C ATOM 742 NE2 HIS A 49 -6.938 -3.962 4.900 1.00 0.00 N ATOM 0 H HIS A 49 -2.800 -0.230 7.390 1.00 0.00 H new ATOM 0 HA HIS A 49 -4.912 0.141 5.343 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -3.611 -1.635 4.524 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -3.232 -2.238 6.125 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -6.454 -2.124 3.805 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -6.674 -5.502 6.363 1.00 0.00 H new ATOM 0 HE2 HIS A 49 -7.799 -4.263 4.444 1.00 0.00 H new ATOM 751 N ASN A 50 -6.744 -0.446 6.912 1.00 0.00 N ATOM 752 CA ASN A 50 -7.821 -0.624 7.880 1.00 0.00 C ATOM 753 C ASN A 50 -7.383 -0.172 9.270 1.00 0.00 C ATOM 754 O ASN A 50 -7.735 -0.789 10.274 1.00 0.00 O ATOM 755 CB ASN A 50 -8.260 -2.089 7.923 1.00 0.00 C ATOM 756 CG ASN A 50 -9.658 -2.257 8.486 1.00 0.00 C ATOM 757 OD1 ASN A 50 -10.546 -1.445 8.225 1.00 0.00 O ATOM 758 ND2 ASN A 50 -9.859 -3.314 9.264 1.00 0.00 N ATOM 0 H ASN A 50 -7.050 -0.118 5.996 1.00 0.00 H new ATOM 0 HA ASN A 50 -8.664 -0.008 7.565 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -8.224 -2.506 6.917 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -7.556 -2.659 8.529 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -10.779 -3.479 9.672 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -9.093 -3.961 9.453 1.00 0.00 H new ATOM 765 N GLY A 51 -6.613 0.911 9.319 1.00 0.00 N ATOM 766 CA GLY A 51 -6.140 1.428 10.590 1.00 0.00 C ATOM 767 C GLY A 51 -5.002 0.607 11.162 1.00 0.00 C ATOM 768 O GLY A 51 -4.918 0.411 12.375 1.00 0.00 O ATOM 0 H GLY A 51 -6.308 1.439 8.501 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -5.811 2.459 10.460 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -6.965 1.445 11.302 1.00 0.00 H new ATOM 772 N ILE A 52 -4.125 0.124 10.288 1.00 0.00 N ATOM 773 CA ILE A 52 -2.987 -0.681 10.714 1.00 0.00 C ATOM 774 C ILE A 52 -1.726 -0.300 9.946 1.00 0.00 C ATOM 775 O ILE A 52 -1.651 -0.477 8.730 1.00 0.00 O ATOM 776 CB ILE A 52 -3.258 -2.185 10.521 1.00 0.00 C ATOM 777 CG1 ILE A 52 -4.506 -2.604 11.300 1.00 0.00 C ATOM 778 CG2 ILE A 52 -2.052 -3.001 10.963 1.00 0.00 C ATOM 779 CD1 ILE A 52 -4.940 -4.027 11.025 1.00 0.00 C ATOM 0 H ILE A 52 -4.181 0.276 9.281 1.00 0.00 H new ATOM 0 HA ILE A 52 -2.838 -0.480 11.775 1.00 0.00 H new ATOM 0 HB ILE A 52 -3.433 -2.375 9.462 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -4.314 -2.491 12.367 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -5.324 -1.928 11.050 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -2.258 -4.062 10.821 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -1.183 -2.718 10.369 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -1.849 -2.809 12.017 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -5.830 -4.256 11.611 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -5.165 -4.140 9.964 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -4.138 -4.712 11.301 1.00 0.00 H new ATOM 791 N ASP A 53 -0.738 0.221 10.664 1.00 0.00 N ATOM 792 CA ASP A 53 0.523 0.624 10.051 1.00 0.00 C ATOM 793 C ASP A 53 1.447 -0.576 9.870 1.00 0.00 C ATOM 794 O ASP A 53 1.693 -1.331 10.810 1.00 0.00 O ATOM 795 CB ASP A 53 1.212 1.690 10.904 1.00 0.00 C ATOM 796 CG ASP A 53 1.747 1.132 12.208 1.00 0.00 C ATOM 797 OD1 ASP A 53 2.836 0.521 12.189 1.00 0.00 O ATOM 798 OD2 ASP A 53 1.077 1.306 13.247 1.00 0.00 O ATOM 0 H ASP A 53 -0.785 0.375 11.671 1.00 0.00 H new ATOM 0 HA ASP A 53 0.304 1.042 9.069 1.00 0.00 H new ATOM 0 HB2 ASP A 53 2.032 2.130 10.337 1.00 0.00 H new ATOM 0 HB3 ASP A 53 0.506 2.492 11.118 1.00 0.00 H new ATOM 803 N GLY A 54 1.957 -0.745 8.654 1.00 0.00 N ATOM 804 CA GLY A 54 2.848 -1.856 8.371 1.00 0.00 C ATOM 805 C GLY A 54 3.477 -1.759 6.995 1.00 0.00 C ATOM 806 O GLY A 54 3.601 -0.668 6.437 1.00 0.00 O ATOM 0 H GLY A 54 1.769 -0.133 7.860 1.00 0.00 H new ATOM 0 HA2 GLY A 54 3.634 -1.888 9.125 1.00 0.00 H new ATOM 0 HA3 GLY A 54 2.294 -2.791 8.449 1.00 0.00 H new ATOM 810 N LEU A 55 3.876 -2.901 6.448 1.00 0.00 N ATOM 811 CA LEU A 55 4.498 -2.941 5.128 1.00 0.00 C ATOM 812 C LEU A 55 3.484 -3.338 4.060 1.00 0.00 C ATOM 813 O LEU A 55 2.477 -3.981 4.356 1.00 0.00 O ATOM 814 CB LEU A 55 5.670 -3.923 5.125 1.00 0.00 C ATOM 815 CG LEU A 55 6.984 -3.402 5.708 1.00 0.00 C ATOM 816 CD1 LEU A 55 7.999 -4.529 5.827 1.00 0.00 C ATOM 817 CD2 LEU A 55 7.537 -2.272 4.852 1.00 0.00 C ATOM 0 H LEU A 55 3.780 -3.812 6.897 1.00 0.00 H new ATOM 0 HA LEU A 55 4.868 -1.942 4.897 1.00 0.00 H new ATOM 0 HB2 LEU A 55 5.375 -4.811 5.683 1.00 0.00 H new ATOM 0 HB3 LEU A 55 5.851 -4.238 4.097 1.00 0.00 H new ATOM 0 HG LEU A 55 6.787 -3.011 6.706 1.00 0.00 H new ATOM 0 HD11 LEU A 55 8.928 -4.140 6.244 1.00 0.00 H new ATOM 0 HD12 LEU A 55 7.605 -5.306 6.482 1.00 0.00 H new ATOM 0 HD13 LEU A 55 8.192 -4.950 4.840 1.00 0.00 H new ATOM 0 HD21 LEU A 55 8.472 -1.914 5.282 1.00 0.00 H new ATOM 0 HD22 LEU A 55 7.719 -2.637 3.841 1.00 0.00 H new ATOM 0 HD23 LEU A 55 6.817 -1.455 4.819 1.00 0.00 H new ATOM 829 N ILE A 56 3.758 -2.951 2.819 1.00 0.00 N ATOM 830 CA ILE A 56 2.871 -3.270 1.707 1.00 0.00 C ATOM 831 C ILE A 56 3.665 -3.599 0.448 1.00 0.00 C ATOM 832 O ILE A 56 4.503 -2.822 -0.010 1.00 0.00 O ATOM 833 CB ILE A 56 1.909 -2.106 1.403 1.00 0.00 C ATOM 834 CG1 ILE A 56 1.038 -1.804 2.625 1.00 0.00 C ATOM 835 CG2 ILE A 56 1.043 -2.437 0.197 1.00 0.00 C ATOM 836 CD1 ILE A 56 0.565 -0.369 2.689 1.00 0.00 C ATOM 0 H ILE A 56 4.587 -2.416 2.558 1.00 0.00 H new ATOM 0 HA ILE A 56 2.290 -4.143 2.007 1.00 0.00 H new ATOM 0 HB ILE A 56 2.497 -1.218 1.171 1.00 0.00 H new ATOM 0 HG12 ILE A 56 0.171 -2.464 2.615 1.00 0.00 H new ATOM 0 HG13 ILE A 56 1.602 -2.033 3.529 1.00 0.00 H new ATOM 0 HG21 ILE A 56 0.368 -1.605 -0.006 1.00 0.00 H new ATOM 0 HG22 ILE A 56 1.679 -2.608 -0.672 1.00 0.00 H new ATOM 0 HG23 ILE A 56 0.460 -3.335 0.403 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -0.047 -0.227 3.580 1.00 0.00 H new ATOM 0 HD12 ILE A 56 1.427 0.297 2.731 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -0.027 -0.141 1.803 1.00 0.00 H new ATOM 848 N PRO A 57 3.397 -4.780 -0.129 1.00 0.00 N ATOM 849 CA PRO A 57 4.074 -5.240 -1.345 1.00 0.00 C ATOM 850 C PRO A 57 3.666 -4.435 -2.575 1.00 0.00 C ATOM 851 O PRO A 57 2.484 -4.160 -2.785 1.00 0.00 O ATOM 852 CB PRO A 57 3.613 -6.693 -1.480 1.00 0.00 C ATOM 853 CG PRO A 57 2.306 -6.744 -0.769 1.00 0.00 C ATOM 854 CD PRO A 57 2.411 -5.758 0.361 1.00 0.00 C ATOM 0 HA PRO A 57 5.156 -5.127 -1.277 1.00 0.00 H new ATOM 0 HB2 PRO A 57 3.506 -6.978 -2.526 1.00 0.00 H new ATOM 0 HB3 PRO A 57 4.333 -7.380 -1.035 1.00 0.00 H new ATOM 0 HG2 PRO A 57 1.487 -6.484 -1.439 1.00 0.00 H new ATOM 0 HG3 PRO A 57 2.105 -7.747 -0.394 1.00 0.00 H new ATOM 0 HD2 PRO A 57 1.451 -5.288 0.575 1.00 0.00 H new ATOM 0 HD3 PRO A 57 2.743 -6.237 1.282 1.00 0.00 H new ATOM 862 N HIS A 58 4.651 -4.061 -3.386 1.00 0.00 N ATOM 863 CA HIS A 58 4.393 -3.289 -4.596 1.00 0.00 C ATOM 864 C HIS A 58 3.912 -4.194 -5.726 1.00 0.00 C ATOM 865 O HIS A 58 3.482 -3.716 -6.775 1.00 0.00 O ATOM 866 CB HIS A 58 5.655 -2.541 -5.027 1.00 0.00 C ATOM 867 CG HIS A 58 5.456 -1.674 -6.232 1.00 0.00 C ATOM 868 ND1 HIS A 58 5.370 -0.300 -6.164 1.00 0.00 N ATOM 869 CD2 HIS A 58 5.326 -1.993 -7.541 1.00 0.00 C ATOM 870 CE1 HIS A 58 5.195 0.189 -7.379 1.00 0.00 C ATOM 871 NE2 HIS A 58 5.165 -0.818 -8.233 1.00 0.00 N ATOM 0 H HIS A 58 5.634 -4.280 -3.227 1.00 0.00 H new ATOM 0 HA HIS A 58 3.608 -2.565 -4.376 1.00 0.00 H new ATOM 0 HB2 HIS A 58 6.002 -1.923 -4.199 1.00 0.00 H new ATOM 0 HB3 HIS A 58 6.443 -3.265 -5.237 1.00 0.00 H new ATOM 0 HD2 HIS A 58 5.345 -2.987 -7.963 1.00 0.00 H new ATOM 0 HE1 HIS A 58 5.094 1.234 -7.631 1.00 0.00 H new ATOM 0 HE2 HIS A 58 5.042 -0.736 -9.242 1.00 0.00 H new ATOM 879 N GLN A 59 3.990 -5.502 -5.504 1.00 0.00 N ATOM 880 CA GLN A 59 3.563 -6.473 -6.504 1.00 0.00 C ATOM 881 C GLN A 59 2.070 -6.758 -6.385 1.00 0.00 C ATOM 882 O GLN A 59 1.414 -7.107 -7.367 1.00 0.00 O ATOM 883 CB GLN A 59 4.357 -7.772 -6.355 1.00 0.00 C ATOM 884 CG GLN A 59 5.745 -7.712 -6.972 1.00 0.00 C ATOM 885 CD GLN A 59 5.715 -7.797 -8.485 1.00 0.00 C ATOM 886 OE1 GLN A 59 5.025 -8.641 -9.058 1.00 0.00 O ATOM 887 NE2 GLN A 59 6.467 -6.921 -9.142 1.00 0.00 N ATOM 0 H GLN A 59 4.345 -5.914 -4.641 1.00 0.00 H new ATOM 0 HA GLN A 59 3.754 -6.049 -7.490 1.00 0.00 H new ATOM 0 HB2 GLN A 59 4.450 -8.012 -5.296 1.00 0.00 H new ATOM 0 HB3 GLN A 59 3.798 -8.585 -6.818 1.00 0.00 H new ATOM 0 HG2 GLN A 59 6.231 -6.783 -6.674 1.00 0.00 H new ATOM 0 HG3 GLN A 59 6.349 -8.529 -6.578 1.00 0.00 H new ATOM 0 HE21 GLN A 59 7.023 -6.239 -8.627 1.00 0.00 H new ATOM 0 HE22 GLN A 59 6.488 -6.931 -10.162 1.00 0.00 H new ATOM 896 N TYR A 60 1.539 -6.608 -5.176 1.00 0.00 N ATOM 897 CA TYR A 60 0.124 -6.853 -4.928 1.00 0.00 C ATOM 898 C TYR A 60 -0.623 -5.542 -4.698 1.00 0.00 C ATOM 899 O TYR A 60 -1.589 -5.491 -3.936 1.00 0.00 O ATOM 900 CB TYR A 60 -0.052 -7.772 -3.718 1.00 0.00 C ATOM 901 CG TYR A 60 0.622 -9.116 -3.875 1.00 0.00 C ATOM 902 CD1 TYR A 60 1.995 -9.208 -4.068 1.00 0.00 C ATOM 903 CD2 TYR A 60 -0.114 -10.294 -3.829 1.00 0.00 C ATOM 904 CE1 TYR A 60 2.615 -10.434 -4.213 1.00 0.00 C ATOM 905 CE2 TYR A 60 0.498 -11.524 -3.972 1.00 0.00 C ATOM 906 CZ TYR A 60 1.862 -11.589 -4.164 1.00 0.00 C ATOM 907 OH TYR A 60 2.476 -12.812 -4.307 1.00 0.00 O ATOM 0 H TYR A 60 2.068 -6.318 -4.353 1.00 0.00 H new ATOM 0 HA TYR A 60 -0.294 -7.340 -5.809 1.00 0.00 H new ATOM 0 HB2 TYR A 60 0.348 -7.275 -2.834 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -1.116 -7.927 -3.542 1.00 0.00 H new ATOM 0 HD1 TYR A 60 2.587 -8.306 -4.105 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -1.182 -10.247 -3.679 1.00 0.00 H new ATOM 0 HE1 TYR A 60 3.683 -10.488 -4.364 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -0.089 -12.430 -3.934 1.00 0.00 H new ATOM 0 HH TYR A 60 1.805 -13.524 -4.247 1.00 0.00 H new ATOM 917 N ILE A 61 -0.169 -4.486 -5.364 1.00 0.00 N ATOM 918 CA ILE A 61 -0.795 -3.176 -5.234 1.00 0.00 C ATOM 919 C ILE A 61 -0.441 -2.279 -6.416 1.00 0.00 C ATOM 920 O ILE A 61 0.604 -2.445 -7.045 1.00 0.00 O ATOM 921 CB ILE A 61 -0.372 -2.476 -3.929 1.00 0.00 C ATOM 922 CG1 ILE A 61 1.122 -2.146 -3.963 1.00 0.00 C ATOM 923 CG2 ILE A 61 -0.700 -3.352 -2.729 1.00 0.00 C ATOM 924 CD1 ILE A 61 1.425 -0.772 -4.517 1.00 0.00 C ATOM 0 H ILE A 61 0.629 -4.512 -5.999 1.00 0.00 H new ATOM 0 HA ILE A 61 -1.872 -3.342 -5.215 1.00 0.00 H new ATOM 0 HB ILE A 61 -0.928 -1.543 -3.836 1.00 0.00 H new ATOM 0 HG12 ILE A 61 1.525 -2.218 -2.953 1.00 0.00 H new ATOM 0 HG13 ILE A 61 1.637 -2.894 -4.566 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -0.395 -2.844 -1.814 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -1.773 -3.541 -2.699 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -0.167 -4.299 -2.813 1.00 0.00 H new ATOM 0 HD11 ILE A 61 2.502 -0.607 -4.511 1.00 0.00 H new ATOM 0 HD12 ILE A 61 1.053 -0.702 -5.539 1.00 0.00 H new ATOM 0 HD13 ILE A 61 0.939 -0.016 -3.901 1.00 0.00 H new ATOM 936 N VAL A 62 -1.319 -1.325 -6.711 1.00 0.00 N ATOM 937 CA VAL A 62 -1.099 -0.399 -7.816 1.00 0.00 C ATOM 938 C VAL A 62 -1.063 1.044 -7.324 1.00 0.00 C ATOM 939 O VAL A 62 -2.105 1.665 -7.113 1.00 0.00 O ATOM 940 CB VAL A 62 -2.194 -0.537 -8.891 1.00 0.00 C ATOM 941 CG1 VAL A 62 -1.979 0.476 -10.005 1.00 0.00 C ATOM 942 CG2 VAL A 62 -2.221 -1.953 -9.445 1.00 0.00 C ATOM 0 H VAL A 62 -2.189 -1.173 -6.200 1.00 0.00 H new ATOM 0 HA VAL A 62 -0.135 -0.654 -8.256 1.00 0.00 H new ATOM 0 HB VAL A 62 -3.160 -0.334 -8.429 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -2.762 0.364 -10.755 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -2.014 1.484 -9.592 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -1.006 0.307 -10.467 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -3.000 -2.032 -10.203 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -1.255 -2.187 -9.892 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -2.427 -2.656 -8.638 1.00 0.00 H new ATOM 952 N VAL A 63 0.143 1.572 -7.145 1.00 0.00 N ATOM 953 CA VAL A 63 0.316 2.943 -6.680 1.00 0.00 C ATOM 954 C VAL A 63 -0.354 3.933 -7.626 1.00 0.00 C ATOM 955 O VAL A 63 0.231 4.338 -8.631 1.00 0.00 O ATOM 956 CB VAL A 63 1.806 3.307 -6.544 1.00 0.00 C ATOM 957 CG1 VAL A 63 1.966 4.762 -6.131 1.00 0.00 C ATOM 958 CG2 VAL A 63 2.491 2.383 -5.549 1.00 0.00 C ATOM 0 H VAL A 63 1.015 1.071 -7.315 1.00 0.00 H new ATOM 0 HA VAL A 63 -0.156 3.006 -5.699 1.00 0.00 H new ATOM 0 HB VAL A 63 2.284 3.176 -7.515 1.00 0.00 H new ATOM 0 HG11 VAL A 63 3.026 5.000 -6.040 1.00 0.00 H new ATOM 0 HG12 VAL A 63 1.513 5.406 -6.885 1.00 0.00 H new ATOM 0 HG13 VAL A 63 1.474 4.924 -5.172 1.00 0.00 H new ATOM 0 HG21 VAL A 63 3.543 2.654 -5.465 1.00 0.00 H new ATOM 0 HG22 VAL A 63 2.013 2.479 -4.574 1.00 0.00 H new ATOM 0 HG23 VAL A 63 2.409 1.352 -5.893 1.00 0.00 H new