USER MOD reduce.3.24.130724 H: found=0, std=0, add=713, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 714 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 90 ASN : amide:sc= 0 X(o=-0.32,f=-0.36) USER MOD Set 1.2: A 93 MET CE :methyl -141:sc= -0.32 (180deg=-1.31) USER MOD Set 2.1: A 22 CYS SG : rot -170:sc= -1.37 USER MOD Set 2.2: A 78 MET CE :methyl -130:sc= -0.168 (180deg=-1.07) USER MOD Single : A 14 LYS NZ :NH3+ 168:sc= 0.6 (180deg=0.349) USER MOD Single : A 21 SER OG : rot -44:sc= 0.392 USER MOD Single : A 23 SER OG : rot 180:sc=0.000661 USER MOD Single : A 28 GLN : amide:sc= -0.207 K(o=-0.21,f=-1.1) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 34 CYS SG : rot 19:sc= -1.28 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 ASN : amide:sc= -0.409 X(o=-0.41,f=0) USER MOD Single : A 41 GLN : amide:sc=-0.00981 X(o=-0.0098,f=-0.37) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot 180:sc= 0.219 USER MOD Single : A 54 SER OG : rot -41:sc= 0.324 USER MOD Single : A 63 SER OG : rot 180:sc= -0.153 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ -131:sc= -0.989 (180deg=-3.67!) USER MOD Single : A 73 LYS NZ :NH3+ 145:sc= -2.71 (180deg=-3.8!) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 164:sc= 0.577 (180deg=0.34) USER MOD Single : A 88 SER OG : rot 67:sc= 0.0427 USER MOD Single : A 89 ASN : amide:sc=-0.00196 K(o=-0.002,f=-0.84) USER MOD Single : A 98 LYS NZ :NH3+ -114:sc= -0.0132 (180deg=-0.119) USER MOD Single : A 99 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 83 N PHE A 11 10.808 -4.782 3.259 1.00 0.00 N ATOM 84 CA PHE A 11 10.746 -3.709 2.250 1.00 0.00 C ATOM 85 C PHE A 11 9.292 -3.335 1.887 1.00 0.00 C ATOM 86 O PHE A 11 8.941 -3.208 0.720 1.00 0.00 O ATOM 87 CB PHE A 11 11.585 -4.107 0.999 1.00 0.00 C ATOM 88 CG PHE A 11 13.017 -4.530 1.336 1.00 0.00 C ATOM 89 CD1 PHE A 11 13.888 -3.646 1.973 1.00 0.00 C ATOM 90 CD2 PHE A 11 13.494 -5.805 1.017 1.00 0.00 C ATOM 91 CE1 PHE A 11 15.186 -4.016 2.273 1.00 0.00 C ATOM 92 CE2 PHE A 11 14.790 -6.173 1.321 1.00 0.00 C ATOM 93 CZ PHE A 11 15.635 -5.279 1.947 1.00 0.00 C ATOM 0 HA PHE A 11 11.184 -2.808 2.680 1.00 0.00 H new ATOM 0 HB2 PHE A 11 11.085 -4.925 0.481 1.00 0.00 H new ATOM 0 HB3 PHE A 11 11.616 -3.264 0.309 1.00 0.00 H new ATOM 0 HD1 PHE A 11 13.543 -2.657 2.236 1.00 0.00 H new ATOM 0 HD2 PHE A 11 12.841 -6.511 0.527 1.00 0.00 H new ATOM 0 HE1 PHE A 11 15.848 -3.317 2.762 1.00 0.00 H new ATOM 0 HE2 PHE A 11 15.143 -7.162 1.068 1.00 0.00 H new ATOM 0 HZ PHE A 11 16.649 -5.569 2.182 1.00 0.00 H new ATOM 103 N VAL A 12 8.457 -3.143 2.920 1.00 0.00 N ATOM 104 CA VAL A 12 7.026 -2.829 2.760 1.00 0.00 C ATOM 105 C VAL A 12 6.765 -1.357 3.149 1.00 0.00 C ATOM 106 O VAL A 12 7.366 -0.846 4.098 1.00 0.00 O ATOM 107 CB VAL A 12 6.137 -3.790 3.647 1.00 0.00 C ATOM 108 CG1 VAL A 12 4.617 -3.587 3.377 1.00 0.00 C ATOM 109 CG2 VAL A 12 6.543 -5.272 3.439 1.00 0.00 C ATOM 0 H VAL A 12 8.755 -3.201 3.894 1.00 0.00 H new ATOM 0 HA VAL A 12 6.754 -2.979 1.715 1.00 0.00 H new ATOM 0 HB VAL A 12 6.320 -3.529 4.689 1.00 0.00 H new ATOM 0 HG11 VAL A 12 4.042 -4.266 4.006 1.00 0.00 H new ATOM 0 HG12 VAL A 12 4.341 -2.558 3.607 1.00 0.00 H new ATOM 0 HG13 VAL A 12 4.403 -3.795 2.329 1.00 0.00 H new ATOM 0 HG21 VAL A 12 5.916 -5.912 4.060 1.00 0.00 H new ATOM 0 HG22 VAL A 12 6.411 -5.542 2.391 1.00 0.00 H new ATOM 0 HG23 VAL A 12 7.588 -5.406 3.719 1.00 0.00 H new ATOM 119 N VAL A 13 5.918 -0.665 2.377 1.00 0.00 N ATOM 120 CA VAL A 13 5.363 0.659 2.752 1.00 0.00 C ATOM 121 C VAL A 13 3.859 0.539 3.028 1.00 0.00 C ATOM 122 O VAL A 13 3.278 -0.541 2.897 1.00 0.00 O ATOM 123 CB VAL A 13 5.614 1.747 1.640 1.00 0.00 C ATOM 124 CG1 VAL A 13 7.122 2.046 1.489 1.00 0.00 C ATOM 125 CG2 VAL A 13 4.978 1.339 0.281 1.00 0.00 C ATOM 0 H VAL A 13 5.592 -1.001 1.471 1.00 0.00 H new ATOM 0 HA VAL A 13 5.881 0.984 3.654 1.00 0.00 H new ATOM 0 HB VAL A 13 5.121 2.664 1.962 1.00 0.00 H new ATOM 0 HG11 VAL A 13 7.268 2.800 0.715 1.00 0.00 H new ATOM 0 HG12 VAL A 13 7.516 2.416 2.435 1.00 0.00 H new ATOM 0 HG13 VAL A 13 7.648 1.133 1.209 1.00 0.00 H new ATOM 0 HG21 VAL A 13 5.173 2.115 -0.459 1.00 0.00 H new ATOM 0 HG22 VAL A 13 5.413 0.398 -0.056 1.00 0.00 H new ATOM 0 HG23 VAL A 13 3.902 1.218 0.405 1.00 0.00 H new ATOM 135 N LYS A 14 3.237 1.662 3.412 1.00 0.00 N ATOM 136 CA LYS A 14 1.793 1.730 3.664 1.00 0.00 C ATOM 137 C LYS A 14 1.252 2.997 2.996 1.00 0.00 C ATOM 138 O LYS A 14 1.721 4.093 3.282 1.00 0.00 O ATOM 139 CB LYS A 14 1.491 1.729 5.183 1.00 0.00 C ATOM 140 CG LYS A 14 -0.003 1.560 5.546 1.00 0.00 C ATOM 141 CD LYS A 14 -0.252 1.606 7.064 1.00 0.00 C ATOM 142 CE LYS A 14 0.155 2.948 7.678 1.00 0.00 C ATOM 143 NZ LYS A 14 -0.560 4.081 7.038 1.00 0.00 N ATOM 0 H LYS A 14 3.721 2.548 3.556 1.00 0.00 H new ATOM 0 HA LYS A 14 1.303 0.852 3.244 1.00 0.00 H new ATOM 0 HB2 LYS A 14 2.058 0.924 5.652 1.00 0.00 H new ATOM 0 HB3 LYS A 14 1.851 2.664 5.612 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -0.582 2.347 5.063 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -0.364 0.610 5.151 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -1.308 1.423 7.263 1.00 0.00 H new ATOM 0 HD3 LYS A 14 0.307 0.804 7.546 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -0.059 2.939 8.747 1.00 0.00 H new ATOM 0 HE3 LYS A 14 1.231 3.087 7.569 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -0.420 4.943 7.603 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -0.186 4.231 6.079 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -1.576 3.864 6.983 1.00 0.00 H new ATOM 157 N VAL A 15 0.244 2.826 2.148 1.00 0.00 N ATOM 158 CA VAL A 15 -0.220 3.849 1.208 1.00 0.00 C ATOM 159 C VAL A 15 -1.626 4.297 1.620 1.00 0.00 C ATOM 160 O VAL A 15 -2.501 3.464 1.792 1.00 0.00 O ATOM 161 CB VAL A 15 -0.234 3.279 -0.255 1.00 0.00 C ATOM 162 CG1 VAL A 15 -0.706 4.337 -1.282 1.00 0.00 C ATOM 163 CG2 VAL A 15 1.160 2.715 -0.628 1.00 0.00 C ATOM 0 H VAL A 15 -0.286 1.957 2.091 1.00 0.00 H new ATOM 0 HA VAL A 15 0.457 4.703 1.231 1.00 0.00 H new ATOM 0 HB VAL A 15 -0.956 2.463 -0.288 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -0.701 3.902 -2.281 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -1.716 4.661 -1.032 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -0.033 5.194 -1.256 1.00 0.00 H new ATOM 0 HG21 VAL A 15 1.134 2.324 -1.645 1.00 0.00 H new ATOM 0 HG22 VAL A 15 1.903 3.510 -0.564 1.00 0.00 H new ATOM 0 HG23 VAL A 15 1.425 1.914 0.062 1.00 0.00 H new ATOM 173 N ARG A 16 -1.822 5.615 1.737 1.00 0.00 N ATOM 174 CA ARG A 16 -3.060 6.232 2.267 1.00 0.00 C ATOM 175 C ARG A 16 -3.617 7.190 1.195 1.00 0.00 C ATOM 176 O ARG A 16 -2.860 7.710 0.380 1.00 0.00 O ATOM 177 CB ARG A 16 -2.760 6.982 3.622 1.00 0.00 C ATOM 178 CG ARG A 16 -3.652 6.586 4.819 1.00 0.00 C ATOM 179 CD ARG A 16 -5.138 6.909 4.606 1.00 0.00 C ATOM 180 NE ARG A 16 -5.985 6.326 5.664 1.00 0.00 N ATOM 181 CZ ARG A 16 -7.224 6.718 5.976 1.00 0.00 C ATOM 182 NH1 ARG A 16 -7.789 7.750 5.367 1.00 0.00 N ATOM 183 NH2 ARG A 16 -7.888 6.072 6.920 1.00 0.00 N ATOM 0 H ARG A 16 -1.118 6.301 1.464 1.00 0.00 H new ATOM 0 HA ARG A 16 -3.806 5.468 2.485 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -1.720 6.802 3.893 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -2.865 8.054 3.453 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -3.543 5.518 5.006 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -3.300 7.103 5.712 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -5.275 7.990 4.586 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -5.457 6.529 3.635 1.00 0.00 H new ATOM 0 HE ARG A 16 -5.590 5.556 6.205 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -7.277 8.260 4.647 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -8.736 8.035 5.618 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -7.454 5.284 7.401 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -8.834 6.362 7.167 1.00 0.00 H new ATOM 197 N GLY A 17 -4.940 7.412 1.209 1.00 0.00 N ATOM 198 CA GLY A 17 -5.612 8.254 0.201 1.00 0.00 C ATOM 199 C GLY A 17 -6.074 7.447 -1.001 1.00 0.00 C ATOM 200 O GLY A 17 -6.263 7.984 -2.099 1.00 0.00 O ATOM 0 H GLY A 17 -5.570 7.020 1.909 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -6.470 8.749 0.656 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -4.930 9.038 -0.129 1.00 0.00 H new ATOM 204 N LEU A 18 -6.239 6.136 -0.762 1.00 0.00 N ATOM 205 CA LEU A 18 -6.756 5.181 -1.740 1.00 0.00 C ATOM 206 C LEU A 18 -8.272 5.080 -1.541 1.00 0.00 C ATOM 207 O LEU A 18 -8.711 4.597 -0.486 1.00 0.00 O ATOM 208 CB LEU A 18 -6.082 3.797 -1.549 1.00 0.00 C ATOM 209 CG LEU A 18 -4.529 3.784 -1.678 1.00 0.00 C ATOM 210 CD1 LEU A 18 -3.979 2.367 -1.440 1.00 0.00 C ATOM 211 CD2 LEU A 18 -4.067 4.358 -3.045 1.00 0.00 C ATOM 0 H LEU A 18 -6.011 5.708 0.135 1.00 0.00 H new ATOM 0 HA LEU A 18 -6.535 5.516 -2.753 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -6.351 3.414 -0.564 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -6.496 3.106 -2.283 1.00 0.00 H new ATOM 0 HG LEU A 18 -4.119 4.436 -0.906 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -2.893 2.378 -1.534 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -4.253 2.034 -0.439 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -4.401 1.684 -2.178 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -2.979 4.334 -3.101 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -4.485 3.757 -3.852 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -4.412 5.387 -3.143 1.00 0.00 H new ATOM 223 N PRO A 19 -9.098 5.592 -2.517 1.00 0.00 N ATOM 224 CA PRO A 19 -10.578 5.530 -2.434 1.00 0.00 C ATOM 225 C PRO A 19 -11.122 4.103 -2.181 1.00 0.00 C ATOM 226 O PRO A 19 -10.504 3.106 -2.582 1.00 0.00 O ATOM 227 CB PRO A 19 -11.040 6.072 -3.814 1.00 0.00 C ATOM 228 CG PRO A 19 -9.929 6.973 -4.247 1.00 0.00 C ATOM 229 CD PRO A 19 -8.662 6.297 -3.764 1.00 0.00 C ATOM 0 HA PRO A 19 -10.955 6.105 -1.588 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -11.197 5.263 -4.527 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -11.983 6.613 -3.734 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -9.921 7.097 -5.330 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -10.036 7.967 -3.813 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -8.272 5.599 -4.505 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -7.873 7.021 -3.561 1.00 0.00 H new ATOM 237 N TRP A 20 -12.280 4.041 -1.513 1.00 0.00 N ATOM 238 CA TRP A 20 -13.009 2.794 -1.214 1.00 0.00 C ATOM 239 C TRP A 20 -13.304 1.978 -2.506 1.00 0.00 C ATOM 240 O TRP A 20 -13.342 0.747 -2.479 1.00 0.00 O ATOM 241 CB TRP A 20 -14.333 3.134 -0.460 1.00 0.00 C ATOM 242 CG TRP A 20 -15.362 3.887 -1.297 1.00 0.00 C ATOM 243 CD1 TRP A 20 -16.470 3.356 -1.903 1.00 0.00 C ATOM 244 CD2 TRP A 20 -15.370 5.291 -1.635 1.00 0.00 C ATOM 245 NE1 TRP A 20 -17.149 4.324 -2.590 1.00 0.00 N ATOM 246 CE2 TRP A 20 -16.499 5.516 -2.445 1.00 0.00 C ATOM 247 CE3 TRP A 20 -14.535 6.374 -1.338 1.00 0.00 C ATOM 248 CZ2 TRP A 20 -16.816 6.770 -2.956 1.00 0.00 C ATOM 249 CZ3 TRP A 20 -14.851 7.619 -1.844 1.00 0.00 C ATOM 250 CH2 TRP A 20 -15.977 7.806 -2.652 1.00 0.00 C ATOM 0 H TRP A 20 -12.750 4.873 -1.156 1.00 0.00 H new ATOM 0 HA TRP A 20 -12.380 2.171 -0.578 1.00 0.00 H new ATOM 0 HB2 TRP A 20 -14.782 2.207 -0.103 1.00 0.00 H new ATOM 0 HB3 TRP A 20 -14.092 3.731 0.420 1.00 0.00 H new ATOM 0 HD1 TRP A 20 -16.766 2.319 -1.846 1.00 0.00 H new ATOM 0 HE1 TRP A 20 -18.005 4.179 -3.126 1.00 0.00 H new ATOM 0 HE3 TRP A 20 -13.658 6.238 -0.723 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 -17.692 6.920 -3.570 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 -14.218 8.463 -1.612 1.00 0.00 H new ATOM 0 HH2 TRP A 20 -16.188 8.790 -3.044 1.00 0.00 H new ATOM 261 N SER A 21 -13.495 2.695 -3.631 1.00 0.00 N ATOM 262 CA SER A 21 -13.856 2.096 -4.931 1.00 0.00 C ATOM 263 C SER A 21 -12.667 2.162 -5.927 1.00 0.00 C ATOM 264 O SER A 21 -12.871 2.112 -7.150 1.00 0.00 O ATOM 265 CB SER A 21 -15.115 2.827 -5.480 1.00 0.00 C ATOM 266 OG SER A 21 -15.651 2.192 -6.633 1.00 0.00 O ATOM 0 H SER A 21 -13.403 3.710 -3.663 1.00 0.00 H new ATOM 0 HA SER A 21 -14.088 1.039 -4.800 1.00 0.00 H new ATOM 0 HB2 SER A 21 -15.878 2.865 -4.702 1.00 0.00 H new ATOM 0 HB3 SER A 21 -14.856 3.857 -5.723 1.00 0.00 H new ATOM 0 HG SER A 21 -14.922 1.946 -7.240 1.00 0.00 H new ATOM 272 N CYS A 22 -11.422 2.229 -5.402 1.00 0.00 N ATOM 273 CA CYS A 22 -10.188 2.190 -6.220 1.00 0.00 C ATOM 274 C CYS A 22 -9.867 0.736 -6.634 1.00 0.00 C ATOM 275 O CYS A 22 -10.556 -0.208 -6.218 1.00 0.00 O ATOM 276 CB CYS A 22 -9.006 2.803 -5.410 1.00 0.00 C ATOM 277 SG CYS A 22 -7.462 2.978 -6.333 1.00 0.00 S ATOM 0 H CYS A 22 -11.245 2.311 -4.401 1.00 0.00 H new ATOM 0 HA CYS A 22 -10.338 2.777 -7.126 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -9.306 3.784 -5.043 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -8.821 2.179 -4.536 1.00 0.00 H new ATOM 0 HG CYS A 22 -6.502 3.296 -5.516 1.00 0.00 H new ATOM 283 N SER A 23 -8.808 0.556 -7.435 1.00 0.00 N ATOM 284 CA SER A 23 -8.362 -0.763 -7.904 1.00 0.00 C ATOM 285 C SER A 23 -6.862 -0.926 -7.617 1.00 0.00 C ATOM 286 O SER A 23 -6.124 0.064 -7.539 1.00 0.00 O ATOM 287 CB SER A 23 -8.649 -0.919 -9.420 1.00 0.00 C ATOM 288 OG SER A 23 -8.198 -2.175 -9.907 1.00 0.00 O ATOM 0 H SER A 23 -8.233 1.326 -7.778 1.00 0.00 H new ATOM 0 HA SER A 23 -8.911 -1.541 -7.373 1.00 0.00 H new ATOM 0 HB2 SER A 23 -9.719 -0.820 -9.601 1.00 0.00 H new ATOM 0 HB3 SER A 23 -8.157 -0.116 -9.969 1.00 0.00 H new ATOM 0 HG SER A 23 -8.394 -2.244 -10.865 1.00 0.00 H new ATOM 294 N ALA A 24 -6.427 -2.186 -7.435 1.00 0.00 N ATOM 295 CA ALA A 24 -4.997 -2.532 -7.326 1.00 0.00 C ATOM 296 C ALA A 24 -4.228 -2.117 -8.597 1.00 0.00 C ATOM 297 O ALA A 24 -3.058 -1.761 -8.521 1.00 0.00 O ATOM 298 CB ALA A 24 -4.824 -4.029 -7.033 1.00 0.00 C ATOM 0 H ALA A 24 -7.052 -2.989 -7.360 1.00 0.00 H new ATOM 0 HA ALA A 24 -4.574 -1.975 -6.490 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -3.763 -4.264 -6.956 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -5.319 -4.276 -6.094 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -5.267 -4.611 -7.841 1.00 0.00 H new ATOM 304 N ASP A 25 -4.914 -2.171 -9.758 1.00 0.00 N ATOM 305 CA ASP A 25 -4.403 -1.646 -11.045 1.00 0.00 C ATOM 306 C ASP A 25 -4.052 -0.153 -10.961 1.00 0.00 C ATOM 307 O ASP A 25 -3.021 0.276 -11.493 1.00 0.00 O ATOM 308 CB ASP A 25 -5.466 -1.859 -12.155 1.00 0.00 C ATOM 309 CG ASP A 25 -5.043 -1.317 -13.537 1.00 0.00 C ATOM 310 OD1 ASP A 25 -4.191 -1.948 -14.201 1.00 0.00 O ATOM 311 OD2 ASP A 25 -5.571 -0.266 -13.972 1.00 0.00 O ATOM 0 H ASP A 25 -5.844 -2.583 -9.831 1.00 0.00 H new ATOM 0 HA ASP A 25 -3.490 -2.193 -11.282 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -5.677 -2.925 -12.243 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -6.394 -1.374 -11.854 1.00 0.00 H new ATOM 316 N GLU A 26 -4.924 0.620 -10.291 1.00 0.00 N ATOM 317 CA GLU A 26 -4.738 2.071 -10.121 1.00 0.00 C ATOM 318 C GLU A 26 -3.475 2.359 -9.286 1.00 0.00 C ATOM 319 O GLU A 26 -2.660 3.198 -9.657 1.00 0.00 O ATOM 320 CB GLU A 26 -5.980 2.701 -9.440 1.00 0.00 C ATOM 321 CG GLU A 26 -7.311 2.501 -10.190 1.00 0.00 C ATOM 322 CD GLU A 26 -7.331 3.150 -11.578 1.00 0.00 C ATOM 323 OE1 GLU A 26 -7.426 4.396 -11.654 1.00 0.00 O ATOM 324 OE2 GLU A 26 -7.252 2.436 -12.603 1.00 0.00 O ATOM 0 H GLU A 26 -5.772 0.259 -9.855 1.00 0.00 H new ATOM 0 HA GLU A 26 -4.615 2.518 -11.108 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -6.078 2.280 -8.439 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -5.806 3.770 -9.320 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -7.504 1.433 -10.294 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -8.122 2.915 -9.592 1.00 0.00 H new ATOM 331 N VAL A 27 -3.319 1.608 -8.181 1.00 0.00 N ATOM 332 CA VAL A 27 -2.192 1.767 -7.229 1.00 0.00 C ATOM 333 C VAL A 27 -0.866 1.318 -7.881 1.00 0.00 C ATOM 334 O VAL A 27 0.181 1.951 -7.704 1.00 0.00 O ATOM 335 CB VAL A 27 -2.450 0.947 -5.906 1.00 0.00 C ATOM 336 CG1 VAL A 27 -1.330 1.174 -4.846 1.00 0.00 C ATOM 337 CG2 VAL A 27 -3.848 1.272 -5.321 1.00 0.00 C ATOM 0 H VAL A 27 -3.971 0.869 -7.917 1.00 0.00 H new ATOM 0 HA VAL A 27 -2.118 2.823 -6.970 1.00 0.00 H new ATOM 0 HB VAL A 27 -2.426 -0.110 -6.171 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -1.551 0.590 -3.953 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -0.371 0.860 -5.257 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -1.284 2.231 -4.586 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -4.004 0.695 -4.409 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -3.908 2.336 -5.092 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -4.616 1.014 -6.050 1.00 0.00 H new ATOM 347 N GLN A 28 -0.952 0.241 -8.678 1.00 0.00 N ATOM 348 CA GLN A 28 0.193 -0.353 -9.393 1.00 0.00 C ATOM 349 C GLN A 28 0.750 0.647 -10.417 1.00 0.00 C ATOM 350 O GLN A 28 1.954 0.938 -10.430 1.00 0.00 O ATOM 351 CB GLN A 28 -0.268 -1.688 -10.063 1.00 0.00 C ATOM 352 CG GLN A 28 0.838 -2.570 -10.694 1.00 0.00 C ATOM 353 CD GLN A 28 1.314 -2.118 -12.073 1.00 0.00 C ATOM 354 OE1 GLN A 28 0.560 -1.526 -12.843 1.00 0.00 O ATOM 355 NE2 GLN A 28 2.557 -2.411 -12.394 1.00 0.00 N ATOM 0 H GLN A 28 -1.830 -0.250 -8.847 1.00 0.00 H new ATOM 0 HA GLN A 28 1.001 -0.581 -8.697 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -0.790 -2.282 -9.313 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -0.994 -1.446 -10.839 1.00 0.00 H new ATOM 0 HG2 GLN A 28 1.694 -2.591 -10.019 1.00 0.00 H new ATOM 0 HG3 GLN A 28 0.467 -3.592 -10.771 1.00 0.00 H new ATOM 0 HE21 GLN A 28 3.153 -2.903 -11.729 1.00 0.00 H new ATOM 0 HE22 GLN A 28 2.924 -2.146 -13.308 1.00 0.00 H new ATOM 364 N ARG A 29 -0.160 1.173 -11.248 1.00 0.00 N ATOM 365 CA ARG A 29 0.166 2.142 -12.303 1.00 0.00 C ATOM 366 C ARG A 29 0.713 3.447 -11.698 1.00 0.00 C ATOM 367 O ARG A 29 1.690 4.005 -12.204 1.00 0.00 O ATOM 368 CB ARG A 29 -1.094 2.426 -13.161 1.00 0.00 C ATOM 369 CG ARG A 29 -0.860 3.361 -14.367 1.00 0.00 C ATOM 370 CD ARG A 29 -2.145 3.648 -15.158 1.00 0.00 C ATOM 371 NE ARG A 29 -3.136 4.427 -14.386 1.00 0.00 N ATOM 372 CZ ARG A 29 -4.318 3.974 -13.933 1.00 0.00 C ATOM 373 NH1 ARG A 29 -4.636 2.683 -13.986 1.00 0.00 N ATOM 374 NH2 ARG A 29 -5.158 4.823 -13.388 1.00 0.00 N ATOM 0 H ARG A 29 -1.151 0.936 -11.206 1.00 0.00 H new ATOM 0 HA ARG A 29 0.942 1.718 -12.940 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -1.489 1.478 -13.526 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -1.860 2.866 -12.522 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -0.438 4.302 -14.014 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -0.123 2.911 -15.032 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -1.891 4.193 -16.067 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -2.594 2.704 -15.467 1.00 0.00 H new ATOM 0 HE ARG A 29 -2.901 5.398 -14.178 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -3.976 2.011 -14.377 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -5.540 2.366 -13.635 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -4.910 5.809 -13.313 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -6.059 4.496 -13.039 1.00 0.00 H new ATOM 388 N PHE A 30 0.089 3.899 -10.590 1.00 0.00 N ATOM 389 CA PHE A 30 0.473 5.133 -9.876 1.00 0.00 C ATOM 390 C PHE A 30 1.923 5.042 -9.351 1.00 0.00 C ATOM 391 O PHE A 30 2.695 6.004 -9.441 1.00 0.00 O ATOM 392 CB PHE A 30 -0.521 5.380 -8.708 1.00 0.00 C ATOM 393 CG PHE A 30 -0.282 6.667 -7.922 1.00 0.00 C ATOM 394 CD1 PHE A 30 -0.702 7.893 -8.425 1.00 0.00 C ATOM 395 CD2 PHE A 30 0.378 6.653 -6.695 1.00 0.00 C ATOM 396 CE1 PHE A 30 -0.483 9.055 -7.725 1.00 0.00 C ATOM 397 CE2 PHE A 30 0.595 7.817 -5.992 1.00 0.00 C ATOM 398 CZ PHE A 30 0.172 9.019 -6.512 1.00 0.00 C ATOM 0 H PHE A 30 -0.701 3.414 -10.164 1.00 0.00 H new ATOM 0 HA PHE A 30 0.429 5.972 -10.570 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -1.534 5.400 -9.110 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -0.468 4.536 -8.020 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -1.207 7.933 -9.379 1.00 0.00 H new ATOM 0 HD2 PHE A 30 0.725 5.714 -6.289 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -0.824 9.998 -8.125 1.00 0.00 H new ATOM 0 HE2 PHE A 30 1.096 7.787 -5.036 1.00 0.00 H new ATOM 0 HZ PHE A 30 0.353 9.935 -5.969 1.00 0.00 H new ATOM 408 N PHE A 31 2.280 3.855 -8.827 1.00 0.00 N ATOM 409 CA PHE A 31 3.633 3.558 -8.311 1.00 0.00 C ATOM 410 C PHE A 31 4.562 3.033 -9.430 1.00 0.00 C ATOM 411 O PHE A 31 5.419 2.171 -9.183 1.00 0.00 O ATOM 412 CB PHE A 31 3.549 2.561 -7.109 1.00 0.00 C ATOM 413 CG PHE A 31 3.134 3.219 -5.787 1.00 0.00 C ATOM 414 CD1 PHE A 31 1.796 3.481 -5.491 1.00 0.00 C ATOM 415 CD2 PHE A 31 4.095 3.608 -4.852 1.00 0.00 C ATOM 416 CE1 PHE A 31 1.437 4.103 -4.313 1.00 0.00 C ATOM 417 CE2 PHE A 31 3.733 4.237 -3.674 1.00 0.00 C ATOM 418 CZ PHE A 31 2.405 4.482 -3.407 1.00 0.00 C ATOM 0 H PHE A 31 1.635 3.069 -8.748 1.00 0.00 H new ATOM 0 HA PHE A 31 4.073 4.486 -7.947 1.00 0.00 H new ATOM 0 HB2 PHE A 31 2.836 1.773 -7.352 1.00 0.00 H new ATOM 0 HB3 PHE A 31 4.520 2.083 -6.977 1.00 0.00 H new ATOM 0 HD1 PHE A 31 1.029 3.192 -6.195 1.00 0.00 H new ATOM 0 HD2 PHE A 31 5.139 3.415 -5.052 1.00 0.00 H new ATOM 0 HE1 PHE A 31 0.395 4.293 -4.100 1.00 0.00 H new ATOM 0 HE2 PHE A 31 4.491 4.535 -2.965 1.00 0.00 H new ATOM 0 HZ PHE A 31 2.121 4.971 -2.487 1.00 0.00 H new ATOM 428 N SER A 32 4.417 3.586 -10.659 1.00 0.00 N ATOM 429 CA SER A 32 5.399 3.389 -11.734 1.00 0.00 C ATOM 430 C SER A 32 6.614 4.303 -11.439 1.00 0.00 C ATOM 431 O SER A 32 6.732 5.417 -11.969 1.00 0.00 O ATOM 432 CB SER A 32 4.765 3.672 -13.121 1.00 0.00 C ATOM 433 OG SER A 32 5.644 3.307 -14.167 1.00 0.00 O ATOM 0 H SER A 32 3.625 4.172 -10.923 1.00 0.00 H new ATOM 0 HA SER A 32 5.734 2.352 -11.766 1.00 0.00 H new ATOM 0 HB2 SER A 32 3.831 3.118 -13.217 1.00 0.00 H new ATOM 0 HB3 SER A 32 4.518 4.731 -13.202 1.00 0.00 H new ATOM 0 HG SER A 32 5.220 3.494 -15.031 1.00 0.00 H new ATOM 439 N ASP A 33 7.488 3.789 -10.560 1.00 0.00 N ATOM 440 CA ASP A 33 8.510 4.563 -9.818 1.00 0.00 C ATOM 441 C ASP A 33 9.152 3.629 -8.791 1.00 0.00 C ATOM 442 O ASP A 33 10.358 3.677 -8.533 1.00 0.00 O ATOM 443 CB ASP A 33 7.882 5.793 -9.083 1.00 0.00 C ATOM 444 CG ASP A 33 8.848 6.481 -8.096 1.00 0.00 C ATOM 445 OD1 ASP A 33 9.821 7.125 -8.545 1.00 0.00 O ATOM 446 OD2 ASP A 33 8.633 6.392 -6.869 1.00 0.00 O ATOM 0 H ASP A 33 7.508 2.794 -10.335 1.00 0.00 H new ATOM 0 HA ASP A 33 9.249 4.945 -10.523 1.00 0.00 H new ATOM 0 HB2 ASP A 33 7.555 6.521 -9.825 1.00 0.00 H new ATOM 0 HB3 ASP A 33 6.993 5.468 -8.542 1.00 0.00 H new ATOM 451 N CYS A 34 8.299 2.797 -8.189 1.00 0.00 N ATOM 452 CA CYS A 34 8.695 1.737 -7.260 1.00 0.00 C ATOM 453 C CYS A 34 8.630 0.376 -7.983 1.00 0.00 C ATOM 454 O CYS A 34 8.094 0.278 -9.091 1.00 0.00 O ATOM 455 CB CYS A 34 7.751 1.779 -6.041 1.00 0.00 C ATOM 456 SG CYS A 34 7.664 3.405 -5.256 1.00 0.00 S ATOM 0 H CYS A 34 7.291 2.843 -8.338 1.00 0.00 H new ATOM 0 HA CYS A 34 9.718 1.882 -6.914 1.00 0.00 H new ATOM 0 HB2 CYS A 34 6.751 1.481 -6.355 1.00 0.00 H new ATOM 0 HB3 CYS A 34 8.085 1.047 -5.306 1.00 0.00 H new ATOM 0 HG CYS A 34 8.086 4.311 -6.087 1.00 0.00 H new ATOM 462 N LYS A 35 9.158 -0.674 -7.343 1.00 0.00 N ATOM 463 CA LYS A 35 9.143 -2.046 -7.877 1.00 0.00 C ATOM 464 C LYS A 35 8.336 -2.877 -6.897 1.00 0.00 C ATOM 465 O LYS A 35 8.884 -3.425 -5.936 1.00 0.00 O ATOM 466 CB LYS A 35 10.573 -2.647 -8.065 1.00 0.00 C ATOM 467 CG LYS A 35 11.474 -1.909 -9.079 1.00 0.00 C ATOM 468 CD LYS A 35 11.005 -2.065 -10.545 1.00 0.00 C ATOM 469 CE LYS A 35 11.064 -3.524 -11.033 1.00 0.00 C ATOM 470 NZ LYS A 35 10.607 -3.663 -12.430 1.00 0.00 N ATOM 0 H LYS A 35 9.612 -0.597 -6.433 1.00 0.00 H new ATOM 0 HA LYS A 35 8.701 -2.045 -8.874 1.00 0.00 H new ATOM 0 HB2 LYS A 35 11.075 -2.655 -7.098 1.00 0.00 H new ATOM 0 HB3 LYS A 35 10.473 -3.685 -8.382 1.00 0.00 H new ATOM 0 HG2 LYS A 35 11.502 -0.849 -8.825 1.00 0.00 H new ATOM 0 HG3 LYS A 35 12.493 -2.285 -8.989 1.00 0.00 H new ATOM 0 HD2 LYS A 35 9.984 -1.696 -10.637 1.00 0.00 H new ATOM 0 HD3 LYS A 35 11.627 -1.445 -11.190 1.00 0.00 H new ATOM 0 HE2 LYS A 35 12.086 -3.893 -10.948 1.00 0.00 H new ATOM 0 HE3 LYS A 35 10.446 -4.147 -10.386 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 10.664 -4.661 -12.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 9.623 -3.336 -12.507 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 11.212 -3.090 -13.052 1.00 0.00 H new ATOM 484 N ILE A 36 7.015 -2.868 -7.095 1.00 0.00 N ATOM 485 CA ILE A 36 6.076 -3.592 -6.242 1.00 0.00 C ATOM 486 C ILE A 36 6.337 -5.105 -6.399 1.00 0.00 C ATOM 487 O ILE A 36 6.338 -5.614 -7.525 1.00 0.00 O ATOM 488 CB ILE A 36 4.587 -3.220 -6.586 1.00 0.00 C ATOM 489 CG1 ILE A 36 4.401 -1.665 -6.648 1.00 0.00 C ATOM 490 CG2 ILE A 36 3.611 -3.844 -5.564 1.00 0.00 C ATOM 491 CD1 ILE A 36 3.001 -1.206 -7.026 1.00 0.00 C ATOM 0 H ILE A 36 6.568 -2.356 -7.855 1.00 0.00 H new ATOM 0 HA ILE A 36 6.231 -3.307 -5.202 1.00 0.00 H new ATOM 0 HB ILE A 36 4.358 -3.631 -7.569 1.00 0.00 H new ATOM 0 HG12 ILE A 36 4.657 -1.243 -5.676 1.00 0.00 H new ATOM 0 HG13 ILE A 36 5.109 -1.257 -7.369 1.00 0.00 H new ATOM 0 HG21 ILE A 36 2.588 -3.572 -5.824 1.00 0.00 H new ATOM 0 HG22 ILE A 36 3.713 -4.929 -5.579 1.00 0.00 H new ATOM 0 HG23 ILE A 36 3.842 -3.472 -4.566 1.00 0.00 H new ATOM 0 HD11 ILE A 36 2.968 -0.117 -7.043 1.00 0.00 H new ATOM 0 HD12 ILE A 36 2.745 -1.593 -8.012 1.00 0.00 H new ATOM 0 HD13 ILE A 36 2.286 -1.579 -6.293 1.00 0.00 H new ATOM 503 N GLN A 37 6.552 -5.770 -5.241 1.00 0.00 N ATOM 504 CA GLN A 37 7.188 -7.103 -5.108 1.00 0.00 C ATOM 505 C GLN A 37 6.725 -8.126 -6.167 1.00 0.00 C ATOM 506 O GLN A 37 7.510 -8.510 -7.041 1.00 0.00 O ATOM 507 CB GLN A 37 6.945 -7.640 -3.676 1.00 0.00 C ATOM 508 CG GLN A 37 7.568 -9.021 -3.382 1.00 0.00 C ATOM 509 CD GLN A 37 7.416 -9.437 -1.918 1.00 0.00 C ATOM 510 OE1 GLN A 37 6.448 -10.087 -1.539 1.00 0.00 O ATOM 511 NE2 GLN A 37 8.362 -9.041 -1.083 1.00 0.00 N ATOM 0 H GLN A 37 6.278 -5.380 -4.340 1.00 0.00 H new ATOM 0 HA GLN A 37 8.255 -6.970 -5.287 1.00 0.00 H new ATOM 0 HB2 GLN A 37 7.343 -6.919 -2.962 1.00 0.00 H new ATOM 0 HB3 GLN A 37 5.870 -7.699 -3.504 1.00 0.00 H new ATOM 0 HG2 GLN A 37 7.098 -9.770 -4.019 1.00 0.00 H new ATOM 0 HG3 GLN A 37 8.626 -9.000 -3.642 1.00 0.00 H new ATOM 0 HE21 GLN A 37 9.155 -8.501 -1.430 1.00 0.00 H new ATOM 0 HE22 GLN A 37 8.299 -9.275 -0.092 1.00 0.00 H new ATOM 520 N ASN A 38 5.451 -8.556 -6.099 1.00 0.00 N ATOM 521 CA ASN A 38 4.871 -9.523 -7.057 1.00 0.00 C ATOM 522 C ASN A 38 3.944 -8.804 -8.053 1.00 0.00 C ATOM 523 O ASN A 38 2.884 -9.323 -8.434 1.00 0.00 O ATOM 524 CB ASN A 38 4.111 -10.615 -6.256 1.00 0.00 C ATOM 525 CG ASN A 38 4.988 -11.374 -5.248 1.00 0.00 C ATOM 526 OD1 ASN A 38 4.529 -11.740 -4.171 1.00 0.00 O ATOM 527 ND2 ASN A 38 6.248 -11.638 -5.582 1.00 0.00 N ATOM 0 H ASN A 38 4.795 -8.246 -5.382 1.00 0.00 H new ATOM 0 HA ASN A 38 5.662 -9.995 -7.640 1.00 0.00 H new ATOM 0 HB2 ASN A 38 3.282 -10.149 -5.723 1.00 0.00 H new ATOM 0 HB3 ASN A 38 3.678 -11.330 -6.956 1.00 0.00 H new ATOM 0 HD21 ASN A 38 6.849 -12.152 -4.938 1.00 0.00 H new ATOM 0 HD22 ASN A 38 6.613 -11.326 -6.482 1.00 0.00 H new ATOM 534 N GLY A 39 4.389 -7.620 -8.514 1.00 0.00 N ATOM 535 CA GLY A 39 3.563 -6.754 -9.354 1.00 0.00 C ATOM 536 C GLY A 39 2.360 -6.234 -8.584 1.00 0.00 C ATOM 537 O GLY A 39 2.490 -5.915 -7.405 1.00 0.00 O ATOM 0 H GLY A 39 5.317 -7.247 -8.315 1.00 0.00 H new ATOM 0 HA2 GLY A 39 4.159 -5.915 -9.714 1.00 0.00 H new ATOM 0 HA3 GLY A 39 3.227 -7.306 -10.231 1.00 0.00 H new ATOM 541 N ALA A 40 1.173 -6.223 -9.212 1.00 0.00 N ATOM 542 CA ALA A 40 -0.084 -5.788 -8.565 1.00 0.00 C ATOM 543 C ALA A 40 -0.569 -6.790 -7.482 1.00 0.00 C ATOM 544 O ALA A 40 -1.554 -6.520 -6.784 1.00 0.00 O ATOM 545 CB ALA A 40 -1.161 -5.557 -9.641 1.00 0.00 C ATOM 0 H ALA A 40 1.054 -6.515 -10.182 1.00 0.00 H new ATOM 0 HA ALA A 40 0.108 -4.850 -8.044 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -2.088 -5.236 -9.165 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -0.823 -4.786 -10.334 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -1.335 -6.484 -10.186 1.00 0.00 H new ATOM 551 N GLN A 41 0.138 -7.935 -7.344 1.00 0.00 N ATOM 552 CA GLN A 41 -0.118 -8.921 -6.272 1.00 0.00 C ATOM 553 C GLN A 41 0.598 -8.524 -4.960 1.00 0.00 C ATOM 554 O GLN A 41 0.498 -9.233 -3.960 1.00 0.00 O ATOM 555 CB GLN A 41 0.334 -10.336 -6.721 1.00 0.00 C ATOM 556 CG GLN A 41 -0.355 -10.849 -8.002 1.00 0.00 C ATOM 557 CD GLN A 41 -1.877 -11.001 -7.869 1.00 0.00 C ATOM 558 OE1 GLN A 41 -2.393 -11.276 -6.787 1.00 0.00 O ATOM 559 NE2 GLN A 41 -2.603 -10.829 -8.966 1.00 0.00 N ATOM 0 H GLN A 41 0.898 -8.200 -7.970 1.00 0.00 H new ATOM 0 HA GLN A 41 -1.191 -8.934 -6.080 1.00 0.00 H new ATOM 0 HB2 GLN A 41 1.412 -10.326 -6.882 1.00 0.00 H new ATOM 0 HB3 GLN A 41 0.140 -11.040 -5.912 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -0.138 -10.162 -8.820 1.00 0.00 H new ATOM 0 HG3 GLN A 41 0.075 -11.813 -8.273 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -2.146 -10.601 -9.849 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -3.618 -10.924 -8.926 1.00 0.00 H new ATOM 568 N GLY A 42 1.346 -7.405 -4.986 1.00 0.00 N ATOM 569 CA GLY A 42 1.968 -6.840 -3.779 1.00 0.00 C ATOM 570 C GLY A 42 1.217 -5.625 -3.256 1.00 0.00 C ATOM 571 O GLY A 42 1.829 -4.695 -2.728 1.00 0.00 O ATOM 0 H GLY A 42 1.534 -6.874 -5.836 1.00 0.00 H new ATOM 0 HA2 GLY A 42 2.006 -7.603 -3.002 1.00 0.00 H new ATOM 0 HA3 GLY A 42 2.998 -6.560 -4.001 1.00 0.00 H new ATOM 575 N ILE A 43 -0.128 -5.644 -3.392 1.00 0.00 N ATOM 576 CA ILE A 43 -1.018 -4.514 -3.018 1.00 0.00 C ATOM 577 C ILE A 43 -2.193 -5.051 -2.171 1.00 0.00 C ATOM 578 O ILE A 43 -3.106 -5.705 -2.683 1.00 0.00 O ATOM 579 CB ILE A 43 -1.545 -3.746 -4.293 1.00 0.00 C ATOM 580 CG1 ILE A 43 -0.345 -3.227 -5.155 1.00 0.00 C ATOM 581 CG2 ILE A 43 -2.493 -2.575 -3.898 1.00 0.00 C ATOM 582 CD1 ILE A 43 -0.736 -2.567 -6.457 1.00 0.00 C ATOM 0 H ILE A 43 -0.633 -6.447 -3.766 1.00 0.00 H new ATOM 0 HA ILE A 43 -0.446 -3.797 -2.429 1.00 0.00 H new ATOM 0 HB ILE A 43 -2.123 -4.448 -4.894 1.00 0.00 H new ATOM 0 HG12 ILE A 43 0.229 -2.515 -4.562 1.00 0.00 H new ATOM 0 HG13 ILE A 43 0.316 -4.066 -5.374 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -2.838 -2.067 -4.798 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -3.350 -2.969 -3.352 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -1.955 -1.868 -3.266 1.00 0.00 H new ATOM 0 HD11 ILE A 43 0.161 -2.241 -6.983 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -1.281 -3.279 -7.076 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -1.370 -1.704 -6.252 1.00 0.00 H new ATOM 594 N ARG A 44 -2.121 -4.783 -0.857 1.00 0.00 N ATOM 595 CA ARG A 44 -3.048 -5.327 0.156 1.00 0.00 C ATOM 596 C ARG A 44 -3.843 -4.197 0.809 1.00 0.00 C ATOM 597 O ARG A 44 -3.377 -3.580 1.766 1.00 0.00 O ATOM 598 CB ARG A 44 -2.265 -6.154 1.242 1.00 0.00 C ATOM 599 CG ARG A 44 -1.886 -7.595 0.820 1.00 0.00 C ATOM 600 CD ARG A 44 -0.848 -7.672 -0.311 1.00 0.00 C ATOM 601 NE ARG A 44 -0.861 -8.977 -0.978 1.00 0.00 N ATOM 602 CZ ARG A 44 -1.766 -9.350 -1.894 1.00 0.00 C ATOM 603 NH1 ARG A 44 -2.717 -8.509 -2.297 1.00 0.00 N ATOM 604 NH2 ARG A 44 -1.697 -10.552 -2.431 1.00 0.00 N ATOM 0 H ARG A 44 -1.407 -4.173 -0.460 1.00 0.00 H new ATOM 0 HA ARG A 44 -3.747 -5.999 -0.342 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -1.353 -5.615 1.499 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -2.872 -6.204 2.146 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -1.498 -8.125 1.690 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -2.789 -8.118 0.504 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -1.049 -6.889 -1.042 1.00 0.00 H new ATOM 0 HD3 ARG A 44 0.146 -7.482 0.095 1.00 0.00 H new ATOM 0 HE ARG A 44 -0.133 -9.646 -0.729 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -2.763 -7.567 -1.908 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -3.399 -8.807 -2.995 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -0.957 -11.195 -2.149 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -2.384 -10.839 -3.128 1.00 0.00 H new ATOM 618 N PHE A 45 -5.056 -3.945 0.289 1.00 0.00 N ATOM 619 CA PHE A 45 -5.994 -2.964 0.862 1.00 0.00 C ATOM 620 C PHE A 45 -6.449 -3.447 2.238 1.00 0.00 C ATOM 621 O PHE A 45 -6.944 -4.566 2.362 1.00 0.00 O ATOM 622 CB PHE A 45 -7.224 -2.746 -0.055 1.00 0.00 C ATOM 623 CG PHE A 45 -6.876 -2.179 -1.425 1.00 0.00 C ATOM 624 CD1 PHE A 45 -6.734 -0.798 -1.611 1.00 0.00 C ATOM 625 CD2 PHE A 45 -6.676 -3.014 -2.524 1.00 0.00 C ATOM 626 CE1 PHE A 45 -6.415 -0.282 -2.852 1.00 0.00 C ATOM 627 CE2 PHE A 45 -6.357 -2.493 -3.761 1.00 0.00 C ATOM 628 CZ PHE A 45 -6.223 -1.128 -3.925 1.00 0.00 C ATOM 0 H PHE A 45 -5.415 -4.416 -0.542 1.00 0.00 H new ATOM 0 HA PHE A 45 -5.477 -2.009 0.953 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -7.741 -3.697 -0.186 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -7.920 -2.070 0.441 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -6.875 -0.129 -0.775 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -6.772 -4.083 -2.405 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -6.316 0.785 -2.983 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -6.212 -3.154 -4.603 1.00 0.00 H new ATOM 0 HZ PHE A 45 -5.968 -0.723 -4.893 1.00 0.00 H new ATOM 638 N ILE A 46 -6.253 -2.609 3.264 1.00 0.00 N ATOM 639 CA ILE A 46 -6.647 -2.921 4.638 1.00 0.00 C ATOM 640 C ILE A 46 -8.181 -2.880 4.724 1.00 0.00 C ATOM 641 O ILE A 46 -8.783 -1.812 4.895 1.00 0.00 O ATOM 642 CB ILE A 46 -5.982 -1.903 5.640 1.00 0.00 C ATOM 643 CG1 ILE A 46 -4.426 -1.924 5.470 1.00 0.00 C ATOM 644 CG2 ILE A 46 -6.390 -2.195 7.111 1.00 0.00 C ATOM 645 CD1 ILE A 46 -3.678 -0.829 6.220 1.00 0.00 C ATOM 0 H ILE A 46 -5.815 -1.694 3.161 1.00 0.00 H new ATOM 0 HA ILE A 46 -6.302 -3.917 4.916 1.00 0.00 H new ATOM 0 HB ILE A 46 -6.347 -0.904 5.402 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -4.053 -2.892 5.805 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -4.191 -1.841 4.409 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -5.911 -1.472 7.772 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -7.473 -2.117 7.211 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -6.072 -3.201 7.384 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -2.608 -0.929 6.038 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -4.015 0.147 5.871 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -3.875 -0.920 7.288 1.00 0.00 H new ATOM 657 N TYR A 47 -8.800 -4.048 4.495 1.00 0.00 N ATOM 658 CA TYR A 47 -10.254 -4.214 4.557 1.00 0.00 C ATOM 659 C TYR A 47 -10.708 -4.270 6.014 1.00 0.00 C ATOM 660 O TYR A 47 -10.026 -4.845 6.861 1.00 0.00 O ATOM 661 CB TYR A 47 -10.708 -5.493 3.798 1.00 0.00 C ATOM 662 CG TYR A 47 -10.509 -5.417 2.277 1.00 0.00 C ATOM 663 CD1 TYR A 47 -11.278 -4.541 1.510 1.00 0.00 C ATOM 664 CD2 TYR A 47 -9.559 -6.193 1.610 1.00 0.00 C ATOM 665 CE1 TYR A 47 -11.109 -4.446 0.146 1.00 0.00 C ATOM 666 CE2 TYR A 47 -9.385 -6.093 0.243 1.00 0.00 C ATOM 667 CZ TYR A 47 -10.165 -5.217 -0.483 1.00 0.00 C ATOM 668 OH TYR A 47 -9.993 -5.100 -1.844 1.00 0.00 O ATOM 0 H TYR A 47 -8.301 -4.906 4.261 1.00 0.00 H new ATOM 0 HA TYR A 47 -10.718 -3.356 4.070 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -10.155 -6.349 4.185 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -11.762 -5.674 4.008 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -12.021 -3.925 1.995 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -8.949 -6.884 2.173 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -11.720 -3.765 -0.428 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -8.642 -6.698 -0.255 1.00 0.00 H new ATOM 0 HH TYR A 47 -9.286 -5.712 -2.138 1.00 0.00 H new ATOM 678 N THR A 48 -11.863 -3.671 6.282 1.00 0.00 N ATOM 679 CA THR A 48 -12.501 -3.683 7.599 1.00 0.00 C ATOM 680 C THR A 48 -13.154 -5.054 7.858 1.00 0.00 C ATOM 681 O THR A 48 -13.061 -5.967 7.019 1.00 0.00 O ATOM 682 CB THR A 48 -13.568 -2.544 7.656 1.00 0.00 C ATOM 683 OG1 THR A 48 -14.527 -2.744 6.593 1.00 0.00 O ATOM 684 CG2 THR A 48 -12.927 -1.138 7.518 1.00 0.00 C ATOM 0 H THR A 48 -12.393 -3.154 5.581 1.00 0.00 H new ATOM 0 HA THR A 48 -11.753 -3.513 8.374 1.00 0.00 H new ATOM 0 HB THR A 48 -14.057 -2.588 8.629 1.00 0.00 H new ATOM 0 HG1 THR A 48 -15.201 -2.034 6.623 1.00 0.00 H new ATOM 0 HG21 THR A 48 -13.706 -0.377 7.563 1.00 0.00 H new ATOM 0 HG22 THR A 48 -12.218 -0.980 8.331 1.00 0.00 H new ATOM 0 HG23 THR A 48 -12.406 -1.068 6.563 1.00 0.00 H new ATOM 692 N ARG A 49 -13.835 -5.201 9.008 1.00 0.00 N ATOM 693 CA ARG A 49 -14.577 -6.439 9.334 1.00 0.00 C ATOM 694 C ARG A 49 -15.817 -6.623 8.419 1.00 0.00 C ATOM 695 O ARG A 49 -16.458 -7.677 8.442 1.00 0.00 O ATOM 696 CB ARG A 49 -14.996 -6.457 10.825 1.00 0.00 C ATOM 697 CG ARG A 49 -15.997 -5.351 11.244 1.00 0.00 C ATOM 698 CD ARG A 49 -16.405 -5.457 12.726 1.00 0.00 C ATOM 699 NE ARG A 49 -15.237 -5.434 13.633 1.00 0.00 N ATOM 700 CZ ARG A 49 -15.150 -6.078 14.811 1.00 0.00 C ATOM 701 NH1 ARG A 49 -16.161 -6.819 15.266 1.00 0.00 N ATOM 702 NH2 ARG A 49 -14.040 -5.985 15.529 1.00 0.00 N ATOM 0 H ARG A 49 -13.889 -4.481 9.728 1.00 0.00 H new ATOM 0 HA ARG A 49 -13.903 -7.277 9.153 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -15.437 -7.428 11.050 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -14.100 -6.365 11.439 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -15.551 -4.373 11.062 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -16.888 -5.416 10.619 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -17.073 -4.633 12.976 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -16.965 -6.379 12.881 1.00 0.00 H new ATOM 0 HE ARG A 49 -14.429 -4.884 13.341 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -17.017 -6.904 14.719 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -16.078 -7.300 16.161 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -13.257 -5.427 15.188 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -13.969 -6.471 16.423 1.00 0.00 H new ATOM 716 N GLU A 50 -16.144 -5.582 7.621 1.00 0.00 N ATOM 717 CA GLU A 50 -17.250 -5.608 6.642 1.00 0.00 C ATOM 718 C GLU A 50 -16.692 -5.596 5.204 1.00 0.00 C ATOM 719 O GLU A 50 -17.436 -5.351 4.251 1.00 0.00 O ATOM 720 CB GLU A 50 -18.201 -4.402 6.889 1.00 0.00 C ATOM 721 CG GLU A 50 -18.842 -4.393 8.293 1.00 0.00 C ATOM 722 CD GLU A 50 -19.786 -3.208 8.520 1.00 0.00 C ATOM 723 OE1 GLU A 50 -20.961 -3.280 8.100 1.00 0.00 O ATOM 724 OE2 GLU A 50 -19.363 -2.196 9.123 1.00 0.00 O ATOM 0 H GLU A 50 -15.643 -4.694 7.640 1.00 0.00 H new ATOM 0 HA GLU A 50 -17.823 -6.527 6.769 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -17.643 -3.476 6.748 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -18.992 -4.415 6.139 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -19.394 -5.322 8.439 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -18.053 -4.370 9.045 1.00 0.00 H new ATOM 731 N GLY A 51 -15.373 -5.861 5.069 1.00 0.00 N ATOM 732 CA GLY A 51 -14.717 -6.010 3.764 1.00 0.00 C ATOM 733 C GLY A 51 -14.671 -4.733 2.927 1.00 0.00 C ATOM 734 O GLY A 51 -14.815 -4.782 1.705 1.00 0.00 O ATOM 0 H GLY A 51 -14.742 -5.976 5.862 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -13.698 -6.362 3.922 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -15.237 -6.782 3.197 1.00 0.00 H new ATOM 738 N ARG A 52 -14.492 -3.584 3.595 1.00 0.00 N ATOM 739 CA ARG A 52 -14.403 -2.262 2.927 1.00 0.00 C ATOM 740 C ARG A 52 -12.988 -1.677 3.113 1.00 0.00 C ATOM 741 O ARG A 52 -12.465 -1.729 4.228 1.00 0.00 O ATOM 742 CB ARG A 52 -15.464 -1.288 3.503 1.00 0.00 C ATOM 743 CG ARG A 52 -16.927 -1.745 3.298 1.00 0.00 C ATOM 744 CD ARG A 52 -17.945 -0.676 3.728 1.00 0.00 C ATOM 745 NE ARG A 52 -17.868 -0.360 5.174 1.00 0.00 N ATOM 746 CZ ARG A 52 -17.578 0.842 5.707 1.00 0.00 C ATOM 747 NH1 ARG A 52 -17.175 1.853 4.938 1.00 0.00 N ATOM 748 NH2 ARG A 52 -17.664 1.016 7.016 1.00 0.00 N ATOM 0 H ARG A 52 -14.404 -3.537 4.610 1.00 0.00 H new ATOM 0 HA ARG A 52 -14.599 -2.393 1.863 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -15.282 -1.161 4.570 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -15.333 -0.311 3.039 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -17.084 -1.989 2.247 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -17.102 -2.658 3.867 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -17.775 0.234 3.152 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -18.951 -1.021 3.489 1.00 0.00 H new ATOM 0 HE ARG A 52 -18.052 -1.123 5.825 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -17.083 1.722 3.931 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -16.959 2.758 5.357 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -17.949 0.242 7.616 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -17.445 1.924 7.425 1.00 0.00 H new ATOM 762 N PRO A 53 -12.336 -1.122 2.033 1.00 0.00 N ATOM 763 CA PRO A 53 -11.000 -0.487 2.154 1.00 0.00 C ATOM 764 C PRO A 53 -11.044 0.709 3.126 1.00 0.00 C ATOM 765 O PRO A 53 -11.875 1.606 2.966 1.00 0.00 O ATOM 766 CB PRO A 53 -10.656 -0.036 0.701 1.00 0.00 C ATOM 767 CG PRO A 53 -11.573 -0.834 -0.179 1.00 0.00 C ATOM 768 CD PRO A 53 -12.837 -1.054 0.633 1.00 0.00 C ATOM 0 HA PRO A 53 -10.248 -1.163 2.560 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -10.817 1.034 0.571 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -9.611 -0.233 0.463 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -11.790 -0.300 -1.104 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -11.118 -1.784 -0.459 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -13.548 -0.239 0.499 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -13.347 -1.973 0.343 1.00 0.00 H new ATOM 776 N SER A 54 -10.139 0.714 4.117 1.00 0.00 N ATOM 777 CA SER A 54 -10.100 1.731 5.195 1.00 0.00 C ATOM 778 C SER A 54 -9.391 3.035 4.726 1.00 0.00 C ATOM 779 O SER A 54 -8.922 3.829 5.550 1.00 0.00 O ATOM 780 CB SER A 54 -9.384 1.093 6.423 1.00 0.00 C ATOM 781 OG SER A 54 -9.464 1.906 7.587 1.00 0.00 O ATOM 0 H SER A 54 -9.406 0.010 4.199 1.00 0.00 H new ATOM 0 HA SER A 54 -11.113 2.025 5.469 1.00 0.00 H new ATOM 0 HB2 SER A 54 -9.829 0.120 6.633 1.00 0.00 H new ATOM 0 HB3 SER A 54 -8.336 0.919 6.178 1.00 0.00 H new ATOM 0 HG SER A 54 -9.328 2.845 7.340 1.00 0.00 H new ATOM 787 N GLY A 55 -9.337 3.256 3.392 1.00 0.00 N ATOM 788 CA GLY A 55 -8.643 4.401 2.796 1.00 0.00 C ATOM 789 C GLY A 55 -7.149 4.158 2.605 1.00 0.00 C ATOM 790 O GLY A 55 -6.452 4.998 2.020 1.00 0.00 O ATOM 0 H GLY A 55 -9.776 2.641 2.707 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -9.095 4.631 1.831 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -8.785 5.276 3.431 1.00 0.00 H new ATOM 794 N GLU A 56 -6.654 3.016 3.122 1.00 0.00 N ATOM 795 CA GLU A 56 -5.234 2.648 3.040 1.00 0.00 C ATOM 796 C GLU A 56 -5.010 1.164 2.738 1.00 0.00 C ATOM 797 O GLU A 56 -5.935 0.345 2.773 1.00 0.00 O ATOM 798 CB GLU A 56 -4.517 3.074 4.343 1.00 0.00 C ATOM 799 CG GLU A 56 -5.176 2.602 5.654 1.00 0.00 C ATOM 800 CD GLU A 56 -4.523 3.247 6.883 1.00 0.00 C ATOM 801 OE1 GLU A 56 -3.329 2.985 7.133 1.00 0.00 O ATOM 802 OE2 GLU A 56 -5.186 4.037 7.592 1.00 0.00 O ATOM 0 H GLU A 56 -7.229 2.327 3.606 1.00 0.00 H new ATOM 0 HA GLU A 56 -4.803 3.183 2.194 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -3.496 2.695 4.314 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -4.453 4.162 4.361 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -6.238 2.847 5.636 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -5.100 1.517 5.729 1.00 0.00 H new ATOM 809 N ALA A 57 -3.732 0.876 2.449 1.00 0.00 N ATOM 810 CA ALA A 57 -3.216 -0.436 2.048 1.00 0.00 C ATOM 811 C ALA A 57 -1.750 -0.572 2.479 1.00 0.00 C ATOM 812 O ALA A 57 -1.142 0.405 2.871 1.00 0.00 O ATOM 813 CB ALA A 57 -3.321 -0.586 0.516 1.00 0.00 C ATOM 0 H ALA A 57 -3.000 1.585 2.491 1.00 0.00 H new ATOM 0 HA ALA A 57 -3.805 -1.216 2.530 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -2.937 -1.562 0.219 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -4.364 -0.499 0.213 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -2.736 0.197 0.033 1.00 0.00 H new ATOM 819 N PHE A 58 -1.202 -1.789 2.425 1.00 0.00 N ATOM 820 CA PHE A 58 0.251 -2.026 2.472 1.00 0.00 C ATOM 821 C PHE A 58 0.699 -2.468 1.078 1.00 0.00 C ATOM 822 O PHE A 58 0.023 -3.273 0.432 1.00 0.00 O ATOM 823 CB PHE A 58 0.628 -3.116 3.509 1.00 0.00 C ATOM 824 CG PHE A 58 0.619 -2.654 4.963 1.00 0.00 C ATOM 825 CD1 PHE A 58 -0.524 -2.748 5.742 1.00 0.00 C ATOM 826 CD2 PHE A 58 1.781 -2.152 5.559 1.00 0.00 C ATOM 827 CE1 PHE A 58 -0.515 -2.344 7.061 1.00 0.00 C ATOM 828 CE2 PHE A 58 1.786 -1.753 6.882 1.00 0.00 C ATOM 829 CZ PHE A 58 0.638 -1.854 7.633 1.00 0.00 C ATOM 0 H PHE A 58 -1.753 -2.644 2.347 1.00 0.00 H new ATOM 0 HA PHE A 58 0.750 -1.106 2.776 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -0.065 -3.951 3.405 1.00 0.00 H new ATOM 0 HB3 PHE A 58 1.622 -3.495 3.270 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -1.432 -3.142 5.311 1.00 0.00 H new ATOM 0 HD2 PHE A 58 2.687 -2.075 4.977 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -1.418 -2.412 7.649 1.00 0.00 H new ATOM 0 HE2 PHE A 58 2.690 -1.362 7.326 1.00 0.00 H new ATOM 0 HZ PHE A 58 0.641 -1.550 8.669 1.00 0.00 H new ATOM 839 N VAL A 59 1.823 -1.925 0.615 1.00 0.00 N ATOM 840 CA VAL A 59 2.410 -2.269 -0.684 1.00 0.00 C ATOM 841 C VAL A 59 3.831 -2.786 -0.448 1.00 0.00 C ATOM 842 O VAL A 59 4.693 -2.041 0.038 1.00 0.00 O ATOM 843 CB VAL A 59 2.392 -1.029 -1.666 1.00 0.00 C ATOM 844 CG1 VAL A 59 3.231 -1.279 -2.948 1.00 0.00 C ATOM 845 CG2 VAL A 59 0.931 -0.643 -2.036 1.00 0.00 C ATOM 0 H VAL A 59 2.358 -1.228 1.133 1.00 0.00 H new ATOM 0 HA VAL A 59 1.818 -3.048 -1.164 1.00 0.00 H new ATOM 0 HB VAL A 59 2.855 -0.196 -1.137 1.00 0.00 H new ATOM 0 HG11 VAL A 59 3.187 -0.399 -3.589 1.00 0.00 H new ATOM 0 HG12 VAL A 59 4.267 -1.475 -2.672 1.00 0.00 H new ATOM 0 HG13 VAL A 59 2.829 -2.139 -3.484 1.00 0.00 H new ATOM 0 HG21 VAL A 59 0.941 0.212 -2.712 1.00 0.00 H new ATOM 0 HG22 VAL A 59 0.444 -1.487 -2.525 1.00 0.00 H new ATOM 0 HG23 VAL A 59 0.383 -0.383 -1.130 1.00 0.00 H new ATOM 855 N GLU A 60 4.063 -4.073 -0.759 1.00 0.00 N ATOM 856 CA GLU A 60 5.390 -4.695 -0.634 1.00 0.00 C ATOM 857 C GLU A 60 6.231 -4.279 -1.840 1.00 0.00 C ATOM 858 O GLU A 60 5.694 -4.098 -2.939 1.00 0.00 O ATOM 859 CB GLU A 60 5.308 -6.247 -0.555 1.00 0.00 C ATOM 860 CG GLU A 60 4.509 -6.807 0.637 1.00 0.00 C ATOM 861 CD GLU A 60 2.983 -6.703 0.465 1.00 0.00 C ATOM 862 OE1 GLU A 60 2.440 -7.452 -0.378 1.00 0.00 O ATOM 863 OE2 GLU A 60 2.326 -5.919 1.185 1.00 0.00 O ATOM 0 H GLU A 60 3.341 -4.706 -1.102 1.00 0.00 H new ATOM 0 HA GLU A 60 5.846 -4.354 0.295 1.00 0.00 H new ATOM 0 HB2 GLU A 60 4.860 -6.618 -1.477 1.00 0.00 H new ATOM 0 HB3 GLU A 60 6.322 -6.646 -0.510 1.00 0.00 H new ATOM 0 HG2 GLU A 60 4.778 -7.853 0.784 1.00 0.00 H new ATOM 0 HG3 GLU A 60 4.801 -6.273 1.541 1.00 0.00 H new ATOM 870 N LEU A 61 7.548 -4.157 -1.633 1.00 0.00 N ATOM 871 CA LEU A 61 8.492 -3.630 -2.640 1.00 0.00 C ATOM 872 C LEU A 61 9.731 -4.535 -2.731 1.00 0.00 C ATOM 873 O LEU A 61 9.903 -5.457 -1.920 1.00 0.00 O ATOM 874 CB LEU A 61 8.882 -2.166 -2.282 1.00 0.00 C ATOM 875 CG LEU A 61 7.692 -1.148 -2.244 1.00 0.00 C ATOM 876 CD1 LEU A 61 8.115 0.207 -1.670 1.00 0.00 C ATOM 877 CD2 LEU A 61 7.063 -0.970 -3.643 1.00 0.00 C ATOM 0 H LEU A 61 7.997 -4.422 -0.756 1.00 0.00 H new ATOM 0 HA LEU A 61 8.012 -3.624 -3.619 1.00 0.00 H new ATOM 0 HB2 LEU A 61 9.371 -2.165 -1.308 1.00 0.00 H new ATOM 0 HB3 LEU A 61 9.616 -1.815 -3.007 1.00 0.00 H new ATOM 0 HG LEU A 61 6.938 -1.568 -1.578 1.00 0.00 H new ATOM 0 HD11 LEU A 61 7.259 0.882 -1.662 1.00 0.00 H new ATOM 0 HD12 LEU A 61 8.481 0.073 -0.652 1.00 0.00 H new ATOM 0 HD13 LEU A 61 8.907 0.632 -2.287 1.00 0.00 H new ATOM 0 HD21 LEU A 61 6.240 -0.258 -3.584 1.00 0.00 H new ATOM 0 HD22 LEU A 61 7.817 -0.597 -4.336 1.00 0.00 H new ATOM 0 HD23 LEU A 61 6.687 -1.930 -3.998 1.00 0.00 H new ATOM 889 N GLU A 62 10.574 -4.269 -3.742 1.00 0.00 N ATOM 890 CA GLU A 62 11.747 -5.105 -4.047 1.00 0.00 C ATOM 891 C GLU A 62 12.889 -4.888 -3.037 1.00 0.00 C ATOM 892 O GLU A 62 13.515 -5.852 -2.585 1.00 0.00 O ATOM 893 CB GLU A 62 12.237 -4.866 -5.494 1.00 0.00 C ATOM 894 CG GLU A 62 13.345 -5.834 -5.971 1.00 0.00 C ATOM 895 CD GLU A 62 12.933 -7.318 -5.890 1.00 0.00 C ATOM 896 OE1 GLU A 62 12.257 -7.807 -6.816 1.00 0.00 O ATOM 897 OE2 GLU A 62 13.265 -8.000 -4.893 1.00 0.00 O ATOM 0 H GLU A 62 10.463 -3.472 -4.369 1.00 0.00 H new ATOM 0 HA GLU A 62 11.432 -6.145 -3.959 1.00 0.00 H new ATOM 0 HB2 GLU A 62 11.386 -4.949 -6.170 1.00 0.00 H new ATOM 0 HB3 GLU A 62 12.608 -3.844 -5.573 1.00 0.00 H new ATOM 0 HG2 GLU A 62 13.610 -5.593 -7.000 1.00 0.00 H new ATOM 0 HG3 GLU A 62 14.239 -5.678 -5.367 1.00 0.00 H new ATOM 904 N SER A 63 13.087 -3.626 -2.639 1.00 0.00 N ATOM 905 CA SER A 63 14.195 -3.212 -1.764 1.00 0.00 C ATOM 906 C SER A 63 13.847 -1.855 -1.129 1.00 0.00 C ATOM 907 O SER A 63 12.801 -1.262 -1.430 1.00 0.00 O ATOM 908 CB SER A 63 15.548 -3.157 -2.526 1.00 0.00 C ATOM 909 OG SER A 63 16.622 -2.819 -1.660 1.00 0.00 O ATOM 0 H SER A 63 12.479 -2.855 -2.916 1.00 0.00 H new ATOM 0 HA SER A 63 14.322 -3.956 -0.978 1.00 0.00 H new ATOM 0 HB2 SER A 63 15.744 -4.123 -2.990 1.00 0.00 H new ATOM 0 HB3 SER A 63 15.484 -2.424 -3.330 1.00 0.00 H new ATOM 0 HG SER A 63 17.458 -2.795 -2.170 1.00 0.00 H new ATOM 915 N GLU A 64 14.703 -1.392 -0.205 1.00 0.00 N ATOM 916 CA GLU A 64 14.503 -0.120 0.503 1.00 0.00 C ATOM 917 C GLU A 64 14.781 1.093 -0.416 1.00 0.00 C ATOM 918 O GLU A 64 14.426 2.232 -0.086 1.00 0.00 O ATOM 919 CB GLU A 64 15.367 -0.083 1.778 1.00 0.00 C ATOM 920 CG GLU A 64 14.993 1.025 2.770 1.00 0.00 C ATOM 921 CD GLU A 64 15.821 0.976 4.057 1.00 0.00 C ATOM 922 OE1 GLU A 64 16.983 1.438 4.053 1.00 0.00 O ATOM 923 OE2 GLU A 64 15.319 0.474 5.079 1.00 0.00 O ATOM 0 H GLU A 64 15.551 -1.888 0.071 1.00 0.00 H new ATOM 0 HA GLU A 64 13.456 -0.051 0.799 1.00 0.00 H new ATOM 0 HB2 GLU A 64 15.288 -1.046 2.282 1.00 0.00 H new ATOM 0 HB3 GLU A 64 16.411 0.042 1.490 1.00 0.00 H new ATOM 0 HG2 GLU A 64 15.130 1.995 2.292 1.00 0.00 H new ATOM 0 HG3 GLU A 64 13.936 0.940 3.021 1.00 0.00 H new ATOM 930 N ASP A 65 15.411 0.831 -1.579 1.00 0.00 N ATOM 931 CA ASP A 65 15.574 1.833 -2.649 1.00 0.00 C ATOM 932 C ASP A 65 14.195 2.184 -3.248 1.00 0.00 C ATOM 933 O ASP A 65 13.908 3.330 -3.575 1.00 0.00 O ATOM 934 CB ASP A 65 16.527 1.294 -3.742 1.00 0.00 C ATOM 935 CG ASP A 65 16.947 2.377 -4.749 1.00 0.00 C ATOM 936 OD1 ASP A 65 17.783 3.230 -4.390 1.00 0.00 O ATOM 937 OD2 ASP A 65 16.453 2.395 -5.893 1.00 0.00 O ATOM 0 H ASP A 65 15.819 -0.077 -1.801 1.00 0.00 H new ATOM 0 HA ASP A 65 16.013 2.739 -2.231 1.00 0.00 H new ATOM 0 HB2 ASP A 65 17.417 0.878 -3.270 1.00 0.00 H new ATOM 0 HB3 ASP A 65 16.038 0.478 -4.275 1.00 0.00 H new ATOM 942 N GLU A 66 13.373 1.145 -3.422 1.00 0.00 N ATOM 943 CA GLU A 66 11.943 1.278 -3.762 1.00 0.00 C ATOM 944 C GLU A 66 11.157 2.015 -2.662 1.00 0.00 C ATOM 945 O GLU A 66 10.278 2.825 -2.970 1.00 0.00 O ATOM 946 CB GLU A 66 11.324 -0.118 -4.013 1.00 0.00 C ATOM 947 CG GLU A 66 11.729 -0.792 -5.335 1.00 0.00 C ATOM 948 CD GLU A 66 13.236 -0.922 -5.597 1.00 0.00 C ATOM 949 OE1 GLU A 66 13.933 -1.526 -4.773 1.00 0.00 O ATOM 950 OE2 GLU A 66 13.719 -0.451 -6.649 1.00 0.00 O ATOM 0 H GLU A 66 13.679 0.176 -3.331 1.00 0.00 H new ATOM 0 HA GLU A 66 11.875 1.875 -4.672 1.00 0.00 H new ATOM 0 HB2 GLU A 66 11.605 -0.774 -3.189 1.00 0.00 H new ATOM 0 HB3 GLU A 66 10.238 -0.025 -3.990 1.00 0.00 H new ATOM 0 HG2 GLU A 66 11.290 -1.789 -5.359 1.00 0.00 H new ATOM 0 HG3 GLU A 66 11.286 -0.229 -6.156 1.00 0.00 H new ATOM 957 N VAL A 67 11.467 1.698 -1.382 1.00 0.00 N ATOM 958 CA VAL A 67 10.779 2.300 -0.216 1.00 0.00 C ATOM 959 C VAL A 67 10.964 3.828 -0.197 1.00 0.00 C ATOM 960 O VAL A 67 9.980 4.550 -0.147 1.00 0.00 O ATOM 961 CB VAL A 67 11.252 1.659 1.151 1.00 0.00 C ATOM 962 CG1 VAL A 67 10.710 2.432 2.390 1.00 0.00 C ATOM 963 CG2 VAL A 67 10.853 0.158 1.223 1.00 0.00 C ATOM 0 H VAL A 67 12.192 1.026 -1.131 1.00 0.00 H new ATOM 0 HA VAL A 67 9.716 2.082 -0.323 1.00 0.00 H new ATOM 0 HB VAL A 67 12.339 1.736 1.178 1.00 0.00 H new ATOM 0 HG11 VAL A 67 11.064 1.951 3.302 1.00 0.00 H new ATOM 0 HG12 VAL A 67 11.066 3.462 2.361 1.00 0.00 H new ATOM 0 HG13 VAL A 67 9.620 2.425 2.375 1.00 0.00 H new ATOM 0 HG21 VAL A 67 11.188 -0.262 2.171 1.00 0.00 H new ATOM 0 HG22 VAL A 67 9.770 0.066 1.148 1.00 0.00 H new ATOM 0 HG23 VAL A 67 11.321 -0.383 0.401 1.00 0.00 H new ATOM 973 N LYS A 68 12.229 4.296 -0.251 1.00 0.00 N ATOM 974 CA LYS A 68 12.560 5.747 -0.233 1.00 0.00 C ATOM 975 C LYS A 68 11.823 6.548 -1.339 1.00 0.00 C ATOM 976 O LYS A 68 11.379 7.677 -1.106 1.00 0.00 O ATOM 977 CB LYS A 68 14.097 5.982 -0.338 1.00 0.00 C ATOM 978 CG LYS A 68 14.743 5.580 -1.678 1.00 0.00 C ATOM 979 CD LYS A 68 16.255 5.886 -1.747 1.00 0.00 C ATOM 980 CE LYS A 68 17.081 5.083 -0.723 1.00 0.00 C ATOM 981 NZ LYS A 68 18.514 5.479 -0.727 1.00 0.00 N ATOM 0 H LYS A 68 13.047 3.689 -0.308 1.00 0.00 H new ATOM 0 HA LYS A 68 12.209 6.121 0.729 1.00 0.00 H new ATOM 0 HB2 LYS A 68 14.298 7.039 -0.161 1.00 0.00 H new ATOM 0 HB3 LYS A 68 14.587 5.426 0.462 1.00 0.00 H new ATOM 0 HG2 LYS A 68 14.588 4.514 -1.842 1.00 0.00 H new ATOM 0 HG3 LYS A 68 14.237 6.104 -2.489 1.00 0.00 H new ATOM 0 HD2 LYS A 68 16.619 5.666 -2.751 1.00 0.00 H new ATOM 0 HD3 LYS A 68 16.412 6.951 -1.577 1.00 0.00 H new ATOM 0 HE2 LYS A 68 16.667 5.233 0.274 1.00 0.00 H new ATOM 0 HE3 LYS A 68 16.999 4.019 -0.946 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 19.032 4.914 -0.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 18.918 5.312 -1.671 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 18.596 6.488 -0.489 1.00 0.00 H new ATOM 995 N LEU A 69 11.702 5.947 -2.534 1.00 0.00 N ATOM 996 CA LEU A 69 11.028 6.570 -3.688 1.00 0.00 C ATOM 997 C LEU A 69 9.505 6.582 -3.515 1.00 0.00 C ATOM 998 O LEU A 69 8.837 7.531 -3.938 1.00 0.00 O ATOM 999 CB LEU A 69 11.451 5.852 -4.984 1.00 0.00 C ATOM 1000 CG LEU A 69 12.973 5.945 -5.306 1.00 0.00 C ATOM 1001 CD1 LEU A 69 13.331 5.094 -6.523 1.00 0.00 C ATOM 1002 CD2 LEU A 69 13.425 7.418 -5.478 1.00 0.00 C ATOM 0 H LEU A 69 12.068 5.015 -2.729 1.00 0.00 H new ATOM 0 HA LEU A 69 11.338 7.613 -3.752 1.00 0.00 H new ATOM 0 HB2 LEU A 69 11.172 4.801 -4.910 1.00 0.00 H new ATOM 0 HB3 LEU A 69 10.890 6.273 -5.818 1.00 0.00 H new ATOM 0 HG LEU A 69 13.520 5.540 -4.455 1.00 0.00 H new ATOM 0 HD11 LEU A 69 14.399 5.178 -6.724 1.00 0.00 H new ATOM 0 HD12 LEU A 69 13.080 4.052 -6.325 1.00 0.00 H new ATOM 0 HD13 LEU A 69 12.770 5.444 -7.389 1.00 0.00 H new ATOM 0 HD21 LEU A 69 14.491 7.448 -5.702 1.00 0.00 H new ATOM 0 HD22 LEU A 69 12.870 7.876 -6.297 1.00 0.00 H new ATOM 0 HD23 LEU A 69 13.232 7.968 -4.557 1.00 0.00 H new ATOM 1014 N ALA A 70 8.977 5.513 -2.901 1.00 0.00 N ATOM 1015 CA ALA A 70 7.574 5.448 -2.465 1.00 0.00 C ATOM 1016 C ALA A 70 7.267 6.622 -1.500 1.00 0.00 C ATOM 1017 O ALA A 70 6.314 7.377 -1.709 1.00 0.00 O ATOM 1018 CB ALA A 70 7.283 4.077 -1.825 1.00 0.00 C ATOM 0 H ALA A 70 9.511 4.669 -2.693 1.00 0.00 H new ATOM 0 HA ALA A 70 6.915 5.551 -3.327 1.00 0.00 H new ATOM 0 HB1 ALA A 70 6.242 4.038 -1.505 1.00 0.00 H new ATOM 0 HB2 ALA A 70 7.468 3.288 -2.554 1.00 0.00 H new ATOM 0 HB3 ALA A 70 7.933 3.933 -0.962 1.00 0.00 H new ATOM 1024 N LEU A 71 8.142 6.799 -0.490 1.00 0.00 N ATOM 1025 CA LEU A 71 8.020 7.871 0.520 1.00 0.00 C ATOM 1026 C LEU A 71 8.045 9.265 -0.127 1.00 0.00 C ATOM 1027 O LEU A 71 7.230 10.114 0.198 1.00 0.00 O ATOM 1028 CB LEU A 71 9.156 7.781 1.579 1.00 0.00 C ATOM 1029 CG LEU A 71 9.349 6.408 2.290 1.00 0.00 C ATOM 1030 CD1 LEU A 71 10.425 6.493 3.396 1.00 0.00 C ATOM 1031 CD2 LEU A 71 8.015 5.840 2.816 1.00 0.00 C ATOM 0 H LEU A 71 8.956 6.201 -0.351 1.00 0.00 H new ATOM 0 HA LEU A 71 7.058 7.727 1.012 1.00 0.00 H new ATOM 0 HB2 LEU A 71 10.095 8.046 1.093 1.00 0.00 H new ATOM 0 HB3 LEU A 71 8.968 8.535 2.343 1.00 0.00 H new ATOM 0 HG LEU A 71 9.713 5.702 1.543 1.00 0.00 H new ATOM 0 HD11 LEU A 71 10.535 5.519 3.872 1.00 0.00 H new ATOM 0 HD12 LEU A 71 11.376 6.791 2.956 1.00 0.00 H new ATOM 0 HD13 LEU A 71 10.123 7.229 4.141 1.00 0.00 H new ATOM 0 HD21 LEU A 71 8.195 4.882 3.305 1.00 0.00 H new ATOM 0 HD22 LEU A 71 7.580 6.537 3.532 1.00 0.00 H new ATOM 0 HD23 LEU A 71 7.326 5.699 1.983 1.00 0.00 H new ATOM 1043 N LYS A 72 8.981 9.467 -1.077 1.00 0.00 N ATOM 1044 CA LYS A 72 9.189 10.794 -1.704 1.00 0.00 C ATOM 1045 C LYS A 72 8.002 11.150 -2.628 1.00 0.00 C ATOM 1046 O LYS A 72 7.709 12.333 -2.827 1.00 0.00 O ATOM 1047 CB LYS A 72 10.577 10.893 -2.433 1.00 0.00 C ATOM 1048 CG LYS A 72 10.716 10.171 -3.797 1.00 0.00 C ATOM 1049 CD LYS A 72 10.267 11.020 -5.020 1.00 0.00 C ATOM 1050 CE LYS A 72 10.305 10.229 -6.334 1.00 0.00 C ATOM 1051 NZ LYS A 72 9.347 9.101 -6.338 1.00 0.00 N ATOM 0 H LYS A 72 9.601 8.737 -1.426 1.00 0.00 H new ATOM 0 HA LYS A 72 9.220 11.541 -0.911 1.00 0.00 H new ATOM 0 HB2 LYS A 72 10.804 11.948 -2.585 1.00 0.00 H new ATOM 0 HB3 LYS A 72 11.339 10.497 -1.762 1.00 0.00 H new ATOM 0 HG2 LYS A 72 11.757 9.878 -3.935 1.00 0.00 H new ATOM 0 HG3 LYS A 72 10.128 9.254 -3.771 1.00 0.00 H new ATOM 0 HD2 LYS A 72 9.255 11.387 -4.851 1.00 0.00 H new ATOM 0 HD3 LYS A 72 10.913 11.894 -5.108 1.00 0.00 H new ATOM 0 HE2 LYS A 72 10.079 10.898 -7.165 1.00 0.00 H new ATOM 0 HE3 LYS A 72 11.313 9.847 -6.497 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 9.831 8.236 -6.652 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 8.973 8.960 -5.378 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 8.563 9.314 -6.987 1.00 0.00 H new ATOM 1065 N LYS A 73 7.293 10.118 -3.170 1.00 0.00 N ATOM 1066 CA LYS A 73 6.153 10.349 -4.090 1.00 0.00 C ATOM 1067 C LYS A 73 4.827 10.462 -3.311 1.00 0.00 C ATOM 1068 O LYS A 73 3.743 10.313 -3.884 1.00 0.00 O ATOM 1069 CB LYS A 73 6.072 9.246 -5.190 1.00 0.00 C ATOM 1070 CG LYS A 73 5.682 7.839 -4.705 1.00 0.00 C ATOM 1071 CD LYS A 73 5.492 6.804 -5.849 1.00 0.00 C ATOM 1072 CE LYS A 73 4.180 6.981 -6.644 1.00 0.00 C ATOM 1073 NZ LYS A 73 4.129 8.224 -7.441 1.00 0.00 N ATOM 0 H LYS A 73 7.491 9.135 -2.986 1.00 0.00 H new ATOM 0 HA LYS A 73 6.325 11.299 -4.596 1.00 0.00 H new ATOM 0 HB2 LYS A 73 5.350 9.563 -5.942 1.00 0.00 H new ATOM 0 HB3 LYS A 73 7.041 9.183 -5.685 1.00 0.00 H new ATOM 0 HG2 LYS A 73 6.451 7.475 -4.024 1.00 0.00 H new ATOM 0 HG3 LYS A 73 4.756 7.907 -4.133 1.00 0.00 H new ATOM 0 HD2 LYS A 73 6.334 6.879 -6.537 1.00 0.00 H new ATOM 0 HD3 LYS A 73 5.515 5.800 -5.425 1.00 0.00 H new ATOM 0 HE2 LYS A 73 4.052 6.128 -7.310 1.00 0.00 H new ATOM 0 HE3 LYS A 73 3.341 6.972 -5.949 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 3.612 8.048 -8.326 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 3.643 8.965 -6.897 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 5.097 8.535 -7.662 1.00 0.00 H new ATOM 1087 N ASP A 74 4.930 10.765 -2.006 1.00 0.00 N ATOM 1088 CA ASP A 74 3.761 11.032 -1.169 1.00 0.00 C ATOM 1089 C ASP A 74 3.190 12.445 -1.456 1.00 0.00 C ATOM 1090 O ASP A 74 2.013 12.705 -1.205 1.00 0.00 O ATOM 1091 CB ASP A 74 4.112 10.893 0.341 1.00 0.00 C ATOM 1092 CG ASP A 74 4.785 12.150 0.931 1.00 0.00 C ATOM 1093 OD1 ASP A 74 5.852 12.568 0.429 1.00 0.00 O ATOM 1094 OD2 ASP A 74 4.227 12.754 1.865 1.00 0.00 O ATOM 0 H ASP A 74 5.819 10.830 -1.511 1.00 0.00 H new ATOM 0 HA ASP A 74 3.000 10.291 -1.415 1.00 0.00 H new ATOM 0 HB2 ASP A 74 3.201 10.681 0.900 1.00 0.00 H new ATOM 0 HB3 ASP A 74 4.775 10.038 0.475 1.00 0.00 H new ATOM 1099 N ARG A 75 4.054 13.342 -1.988 1.00 0.00 N ATOM 1100 CA ARG A 75 3.717 14.760 -2.236 1.00 0.00 C ATOM 1101 C ARG A 75 2.494 14.880 -3.172 1.00 0.00 C ATOM 1102 O ARG A 75 1.588 15.675 -2.920 1.00 0.00 O ATOM 1103 CB ARG A 75 4.928 15.494 -2.881 1.00 0.00 C ATOM 1104 CG ARG A 75 6.265 15.456 -2.089 1.00 0.00 C ATOM 1105 CD ARG A 75 6.269 16.301 -0.786 1.00 0.00 C ATOM 1106 NE ARG A 75 5.720 15.585 0.390 1.00 0.00 N ATOM 1107 CZ ARG A 75 5.716 16.064 1.648 1.00 0.00 C ATOM 1108 NH1 ARG A 75 6.098 17.304 1.911 1.00 0.00 N ATOM 1109 NH2 ARG A 75 5.324 15.297 2.644 1.00 0.00 N ATOM 0 H ARG A 75 5.007 13.099 -2.257 1.00 0.00 H new ATOM 0 HA ARG A 75 3.476 15.220 -1.278 1.00 0.00 H new ATOM 0 HB2 ARG A 75 5.103 15.062 -3.866 1.00 0.00 H new ATOM 0 HB3 ARG A 75 4.652 16.537 -3.035 1.00 0.00 H new ATOM 0 HG2 ARG A 75 6.493 14.421 -1.836 1.00 0.00 H new ATOM 0 HG3 ARG A 75 7.067 15.809 -2.738 1.00 0.00 H new ATOM 0 HD2 ARG A 75 7.291 16.611 -0.567 1.00 0.00 H new ATOM 0 HD3 ARG A 75 5.689 17.209 -0.951 1.00 0.00 H new ATOM 0 HE ARG A 75 5.316 14.662 0.235 1.00 0.00 H new ATOM 0 HH11 ARG A 75 6.403 17.915 1.153 1.00 0.00 H new ATOM 0 HH12 ARG A 75 6.088 17.648 2.871 1.00 0.00 H new ATOM 0 HH21 ARG A 75 5.023 14.339 2.462 1.00 0.00 H new ATOM 0 HH22 ARG A 75 5.321 15.660 3.597 1.00 0.00 H new ATOM 1123 N GLU A 76 2.497 14.054 -4.229 1.00 0.00 N ATOM 1124 CA GLU A 76 1.515 14.102 -5.332 1.00 0.00 C ATOM 1125 C GLU A 76 0.129 13.518 -4.948 1.00 0.00 C ATOM 1126 O GLU A 76 -0.081 13.020 -3.835 1.00 0.00 O ATOM 1127 CB GLU A 76 2.104 13.349 -6.557 1.00 0.00 C ATOM 1128 CG GLU A 76 2.361 11.858 -6.296 1.00 0.00 C ATOM 1129 CD GLU A 76 3.133 11.156 -7.417 1.00 0.00 C ATOM 1130 OE1 GLU A 76 4.379 11.208 -7.418 1.00 0.00 O ATOM 1131 OE2 GLU A 76 2.507 10.531 -8.292 1.00 0.00 O ATOM 0 H GLU A 76 3.194 13.319 -4.347 1.00 0.00 H new ATOM 0 HA GLU A 76 1.338 15.150 -5.573 1.00 0.00 H new ATOM 0 HB2 GLU A 76 1.419 13.449 -7.399 1.00 0.00 H new ATOM 0 HB3 GLU A 76 3.040 13.825 -6.850 1.00 0.00 H new ATOM 0 HG2 GLU A 76 2.917 11.753 -5.364 1.00 0.00 H new ATOM 0 HG3 GLU A 76 1.405 11.354 -6.156 1.00 0.00 H new ATOM 1138 N THR A 77 -0.785 13.581 -5.931 1.00 0.00 N ATOM 1139 CA THR A 77 -2.207 13.214 -5.774 1.00 0.00 C ATOM 1140 C THR A 77 -2.565 11.953 -6.593 1.00 0.00 C ATOM 1141 O THR A 77 -2.144 11.828 -7.746 1.00 0.00 O ATOM 1142 CB THR A 77 -3.125 14.398 -6.223 1.00 0.00 C ATOM 1143 OG1 THR A 77 -2.807 14.768 -7.574 1.00 0.00 O ATOM 1144 CG2 THR A 77 -2.976 15.626 -5.311 1.00 0.00 C ATOM 0 H THR A 77 -0.555 13.894 -6.874 1.00 0.00 H new ATOM 0 HA THR A 77 -2.372 12.997 -4.719 1.00 0.00 H new ATOM 0 HB THR A 77 -4.158 14.056 -6.154 1.00 0.00 H new ATOM 0 HG1 THR A 77 -3.384 15.509 -7.855 1.00 0.00 H new ATOM 0 HG21 THR A 77 -3.633 16.422 -5.662 1.00 0.00 H new ATOM 0 HG22 THR A 77 -3.247 15.356 -4.290 1.00 0.00 H new ATOM 0 HG23 THR A 77 -1.943 15.972 -5.333 1.00 0.00 H new ATOM 1152 N MET A 78 -3.341 11.037 -5.974 1.00 0.00 N ATOM 1153 CA MET A 78 -3.909 9.839 -6.639 1.00 0.00 C ATOM 1154 C MET A 78 -4.768 10.276 -7.844 1.00 0.00 C ATOM 1155 O MET A 78 -4.434 9.989 -8.999 1.00 0.00 O ATOM 1156 CB MET A 78 -4.758 9.007 -5.626 1.00 0.00 C ATOM 1157 CG MET A 78 -5.058 7.573 -6.078 1.00 0.00 C ATOM 1158 SD MET A 78 -3.554 6.605 -6.328 1.00 0.00 S ATOM 1159 CE MET A 78 -4.229 5.017 -6.805 1.00 0.00 C ATOM 0 H MET A 78 -3.595 11.107 -4.989 1.00 0.00 H new ATOM 0 HA MET A 78 -3.096 9.207 -6.997 1.00 0.00 H new ATOM 0 HB2 MET A 78 -4.231 8.972 -4.672 1.00 0.00 H new ATOM 0 HB3 MET A 78 -5.701 9.524 -5.450 1.00 0.00 H new ATOM 0 HG2 MET A 78 -5.683 7.083 -5.332 1.00 0.00 H new ATOM 0 HG3 MET A 78 -5.629 7.599 -7.006 1.00 0.00 H new ATOM 0 HE1 MET A 78 -3.771 4.232 -6.204 1.00 0.00 H new ATOM 0 HE2 MET A 78 -5.307 5.016 -6.642 1.00 0.00 H new ATOM 0 HE3 MET A 78 -4.021 4.835 -7.859 1.00 0.00 H new ATOM 1169 N GLY A 79 -5.880 10.967 -7.538 1.00 0.00 N ATOM 1170 CA GLY A 79 -6.636 11.751 -8.519 1.00 0.00 C ATOM 1171 C GLY A 79 -6.913 13.153 -7.989 1.00 0.00 C ATOM 1172 O GLY A 79 -6.938 14.124 -8.750 1.00 0.00 O ATOM 0 H GLY A 79 -6.278 10.995 -6.599 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -6.076 11.813 -9.452 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -7.577 11.250 -8.745 1.00 0.00 H new ATOM 1176 N HIS A 80 -7.113 13.243 -6.663 1.00 0.00 N ATOM 1177 CA HIS A 80 -7.364 14.513 -5.952 1.00 0.00 C ATOM 1178 C HIS A 80 -6.739 14.436 -4.550 1.00 0.00 C ATOM 1179 O HIS A 80 -6.087 15.381 -4.095 1.00 0.00 O ATOM 1180 CB HIS A 80 -8.889 14.795 -5.867 1.00 0.00 C ATOM 1181 CG HIS A 80 -9.255 16.186 -5.391 1.00 0.00 C ATOM 1182 ND1 HIS A 80 -9.721 17.172 -6.239 1.00 0.00 N ATOM 1183 CD2 HIS A 80 -9.272 16.739 -4.152 1.00 0.00 C ATOM 1184 CE1 HIS A 80 -10.003 18.256 -5.548 1.00 0.00 C ATOM 1185 NE2 HIS A 80 -9.743 18.023 -4.282 1.00 0.00 N ATOM 0 H HIS A 80 -7.105 12.430 -6.047 1.00 0.00 H new ATOM 0 HA HIS A 80 -6.906 15.336 -6.501 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -9.328 14.636 -6.852 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -9.342 14.066 -5.195 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -8.971 16.258 -3.233 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -10.384 19.181 -5.954 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -9.870 18.688 -3.519 1.00 0.00 H new ATOM 1194 N ARG A 81 -6.979 13.302 -3.865 1.00 0.00 N ATOM 1195 CA ARG A 81 -6.372 12.992 -2.558 1.00 0.00 C ATOM 1196 C ARG A 81 -4.842 12.909 -2.674 1.00 0.00 C ATOM 1197 O ARG A 81 -4.331 12.280 -3.595 1.00 0.00 O ATOM 1198 CB ARG A 81 -6.913 11.638 -2.017 1.00 0.00 C ATOM 1199 CG ARG A 81 -8.424 11.611 -1.698 1.00 0.00 C ATOM 1200 CD ARG A 81 -8.804 12.559 -0.548 1.00 0.00 C ATOM 1201 NE ARG A 81 -10.230 12.441 -0.176 1.00 0.00 N ATOM 1202 CZ ARG A 81 -10.709 12.402 1.077 1.00 0.00 C ATOM 1203 NH1 ARG A 81 -9.894 12.408 2.125 1.00 0.00 N ATOM 1204 NH2 ARG A 81 -12.017 12.340 1.283 1.00 0.00 N ATOM 0 H ARG A 81 -7.604 12.571 -4.206 1.00 0.00 H new ATOM 0 HA ARG A 81 -6.637 13.794 -1.869 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -6.699 10.861 -2.751 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -6.363 11.381 -1.112 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -8.985 11.887 -2.591 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -8.718 10.594 -1.438 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -8.184 12.340 0.321 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -8.590 13.587 -0.841 1.00 0.00 H new ATOM 0 HE ARG A 81 -10.907 12.384 -0.936 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -8.884 12.443 1.986 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -10.278 12.378 3.070 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -12.658 12.322 0.490 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -12.383 12.310 2.235 1.00 0.00 H new ATOM 1218 N TYR A 82 -4.141 13.530 -1.716 1.00 0.00 N ATOM 1219 CA TYR A 82 -2.683 13.435 -1.608 1.00 0.00 C ATOM 1220 C TYR A 82 -2.352 12.064 -0.996 1.00 0.00 C ATOM 1221 O TYR A 82 -2.886 11.712 0.064 1.00 0.00 O ATOM 1222 CB TYR A 82 -2.107 14.584 -0.734 1.00 0.00 C ATOM 1223 CG TYR A 82 -2.310 15.996 -1.314 1.00 0.00 C ATOM 1224 CD1 TYR A 82 -1.357 16.571 -2.156 1.00 0.00 C ATOM 1225 CD2 TYR A 82 -3.443 16.753 -1.009 1.00 0.00 C ATOM 1226 CE1 TYR A 82 -1.523 17.840 -2.675 1.00 0.00 C ATOM 1227 CE2 TYR A 82 -3.619 18.024 -1.525 1.00 0.00 C ATOM 1228 CZ TYR A 82 -2.655 18.566 -2.359 1.00 0.00 C ATOM 1229 OH TYR A 82 -2.829 19.837 -2.879 1.00 0.00 O ATOM 0 H TYR A 82 -4.570 14.111 -0.996 1.00 0.00 H new ATOM 0 HA TYR A 82 -2.228 13.532 -2.594 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -2.571 14.540 0.251 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -1.040 14.414 -0.592 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -0.469 16.010 -2.408 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -4.197 16.338 -0.357 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -0.771 18.263 -3.325 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -4.504 18.592 -1.279 1.00 0.00 H new ATOM 0 HH TYR A 82 -3.678 20.208 -2.559 1.00 0.00 H new ATOM 1239 N VAL A 83 -1.488 11.295 -1.662 1.00 0.00 N ATOM 1240 CA VAL A 83 -1.203 9.899 -1.290 1.00 0.00 C ATOM 1241 C VAL A 83 -0.139 9.877 -0.195 1.00 0.00 C ATOM 1242 O VAL A 83 0.967 10.305 -0.432 1.00 0.00 O ATOM 1243 CB VAL A 83 -0.731 9.078 -2.548 1.00 0.00 C ATOM 1244 CG1 VAL A 83 -0.146 7.692 -2.172 1.00 0.00 C ATOM 1245 CG2 VAL A 83 -1.896 8.924 -3.544 1.00 0.00 C ATOM 0 H VAL A 83 -0.964 11.618 -2.475 1.00 0.00 H new ATOM 0 HA VAL A 83 -2.112 9.432 -0.911 1.00 0.00 H new ATOM 0 HB VAL A 83 0.076 9.640 -3.018 1.00 0.00 H new ATOM 0 HG11 VAL A 83 0.163 7.170 -3.077 1.00 0.00 H new ATOM 0 HG12 VAL A 83 0.716 7.826 -1.518 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -0.905 7.105 -1.656 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -1.561 8.355 -4.411 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -2.720 8.398 -3.062 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -2.233 9.910 -3.865 1.00 0.00 H new ATOM 1255 N GLU A 84 -0.474 9.381 1.002 1.00 0.00 N ATOM 1256 CA GLU A 84 0.460 9.365 2.134 1.00 0.00 C ATOM 1257 C GLU A 84 1.143 7.995 2.181 1.00 0.00 C ATOM 1258 O GLU A 84 0.485 6.976 2.399 1.00 0.00 O ATOM 1259 CB GLU A 84 -0.302 9.625 3.451 1.00 0.00 C ATOM 1260 CG GLU A 84 -1.189 10.879 3.468 1.00 0.00 C ATOM 1261 CD GLU A 84 -2.031 10.962 4.748 1.00 0.00 C ATOM 1262 OE1 GLU A 84 -3.140 10.376 4.793 1.00 0.00 O ATOM 1263 OE2 GLU A 84 -1.593 11.594 5.732 1.00 0.00 O ATOM 0 H GLU A 84 -1.390 8.984 1.212 1.00 0.00 H new ATOM 0 HA GLU A 84 1.209 10.148 2.011 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -0.926 8.758 3.666 1.00 0.00 H new ATOM 0 HB3 GLU A 84 0.424 9.704 4.260 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -0.564 11.768 3.386 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -1.847 10.871 2.599 1.00 0.00 H new ATOM 1270 N VAL A 85 2.468 7.982 2.007 1.00 0.00 N ATOM 1271 CA VAL A 85 3.245 6.737 1.964 1.00 0.00 C ATOM 1272 C VAL A 85 4.205 6.721 3.154 1.00 0.00 C ATOM 1273 O VAL A 85 5.096 7.573 3.255 1.00 0.00 O ATOM 1274 CB VAL A 85 4.038 6.575 0.620 1.00 0.00 C ATOM 1275 CG1 VAL A 85 4.694 5.170 0.545 1.00 0.00 C ATOM 1276 CG2 VAL A 85 3.134 6.839 -0.611 1.00 0.00 C ATOM 0 H VAL A 85 3.029 8.826 1.893 1.00 0.00 H new ATOM 0 HA VAL A 85 2.553 5.896 2.020 1.00 0.00 H new ATOM 0 HB VAL A 85 4.829 7.325 0.603 1.00 0.00 H new ATOM 0 HG11 VAL A 85 5.240 5.073 -0.393 1.00 0.00 H new ATOM 0 HG12 VAL A 85 5.383 5.045 1.381 1.00 0.00 H new ATOM 0 HG13 VAL A 85 3.920 4.404 0.595 1.00 0.00 H new ATOM 0 HG21 VAL A 85 3.717 6.718 -1.524 1.00 0.00 H new ATOM 0 HG22 VAL A 85 2.306 6.130 -0.613 1.00 0.00 H new ATOM 0 HG23 VAL A 85 2.742 7.855 -0.563 1.00 0.00 H new ATOM 1286 N PHE A 86 3.991 5.771 4.070 1.00 0.00 N ATOM 1287 CA PHE A 86 4.750 5.643 5.314 1.00 0.00 C ATOM 1288 C PHE A 86 5.666 4.415 5.242 1.00 0.00 C ATOM 1289 O PHE A 86 5.230 3.344 4.807 1.00 0.00 O ATOM 1290 CB PHE A 86 3.767 5.509 6.505 1.00 0.00 C ATOM 1291 CG PHE A 86 2.833 6.708 6.659 1.00 0.00 C ATOM 1292 CD1 PHE A 86 3.224 7.833 7.391 1.00 0.00 C ATOM 1293 CD2 PHE A 86 1.569 6.723 6.060 1.00 0.00 C ATOM 1294 CE1 PHE A 86 2.383 8.924 7.525 1.00 0.00 C ATOM 1295 CE2 PHE A 86 0.733 7.813 6.199 1.00 0.00 C ATOM 1296 CZ PHE A 86 1.139 8.914 6.930 1.00 0.00 C ATOM 0 H PHE A 86 3.271 5.057 3.963 1.00 0.00 H new ATOM 0 HA PHE A 86 5.367 6.530 5.457 1.00 0.00 H new ATOM 0 HB2 PHE A 86 3.169 4.607 6.373 1.00 0.00 H new ATOM 0 HB3 PHE A 86 4.338 5.382 7.425 1.00 0.00 H new ATOM 0 HD1 PHE A 86 4.197 7.851 7.859 1.00 0.00 H new ATOM 0 HD2 PHE A 86 1.243 5.871 5.482 1.00 0.00 H new ATOM 0 HE1 PHE A 86 2.701 9.784 8.096 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -0.242 7.806 5.735 1.00 0.00 H new ATOM 0 HZ PHE A 86 0.483 9.765 7.035 1.00 0.00 H new ATOM 1306 N LYS A 87 6.935 4.600 5.629 1.00 0.00 N ATOM 1307 CA LYS A 87 7.920 3.517 5.769 1.00 0.00 C ATOM 1308 C LYS A 87 7.430 2.495 6.806 1.00 0.00 C ATOM 1309 O LYS A 87 7.354 2.798 7.994 1.00 0.00 O ATOM 1310 CB LYS A 87 9.273 4.132 6.199 1.00 0.00 C ATOM 1311 CG LYS A 87 10.411 3.122 6.448 1.00 0.00 C ATOM 1312 CD LYS A 87 11.699 3.810 6.943 1.00 0.00 C ATOM 1313 CE LYS A 87 12.826 2.819 7.226 1.00 0.00 C ATOM 1314 NZ LYS A 87 13.216 2.053 6.019 1.00 0.00 N ATOM 0 H LYS A 87 7.313 5.520 5.857 1.00 0.00 H new ATOM 0 HA LYS A 87 8.047 2.998 4.819 1.00 0.00 H new ATOM 0 HB2 LYS A 87 9.595 4.833 5.429 1.00 0.00 H new ATOM 0 HB3 LYS A 87 9.117 4.709 7.110 1.00 0.00 H new ATOM 0 HG2 LYS A 87 10.088 2.386 7.184 1.00 0.00 H new ATOM 0 HG3 LYS A 87 10.622 2.579 5.526 1.00 0.00 H new ATOM 0 HD2 LYS A 87 12.032 4.529 6.195 1.00 0.00 H new ATOM 0 HD3 LYS A 87 11.480 4.373 7.850 1.00 0.00 H new ATOM 0 HE2 LYS A 87 13.693 3.358 7.608 1.00 0.00 H new ATOM 0 HE3 LYS A 87 12.511 2.127 8.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 14.140 1.602 6.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 12.502 1.322 5.826 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 13.280 2.697 5.205 1.00 0.00 H new ATOM 1328 N SER A 88 7.075 1.302 6.331 1.00 0.00 N ATOM 1329 CA SER A 88 6.495 0.239 7.165 1.00 0.00 C ATOM 1330 C SER A 88 7.428 -0.984 7.207 1.00 0.00 C ATOM 1331 O SER A 88 8.591 -0.915 6.769 1.00 0.00 O ATOM 1332 CB SER A 88 5.094 -0.111 6.602 1.00 0.00 C ATOM 1333 OG SER A 88 4.268 1.037 6.587 1.00 0.00 O ATOM 0 H SER A 88 7.181 1.040 5.351 1.00 0.00 H new ATOM 0 HA SER A 88 6.385 0.578 8.195 1.00 0.00 H new ATOM 0 HB2 SER A 88 5.190 -0.511 5.593 1.00 0.00 H new ATOM 0 HB3 SER A 88 4.634 -0.890 7.211 1.00 0.00 H new ATOM 0 HG SER A 88 4.615 1.681 5.935 1.00 0.00 H new ATOM 1339 N ASN A 89 6.899 -2.096 7.729 1.00 0.00 N ATOM 1340 CA ASN A 89 7.630 -3.348 7.929 1.00 0.00 C ATOM 1341 C ASN A 89 6.707 -4.514 7.571 1.00 0.00 C ATOM 1342 O ASN A 89 5.480 -4.364 7.572 1.00 0.00 O ATOM 1343 CB ASN A 89 8.147 -3.464 9.397 1.00 0.00 C ATOM 1344 CG ASN A 89 9.298 -2.493 9.706 1.00 0.00 C ATOM 1345 OD1 ASN A 89 10.121 -2.195 8.846 1.00 0.00 O ATOM 1346 ND2 ASN A 89 9.356 -1.982 10.921 1.00 0.00 N ATOM 0 H ASN A 89 5.926 -2.150 8.031 1.00 0.00 H new ATOM 0 HA ASN A 89 8.507 -3.369 7.282 1.00 0.00 H new ATOM 0 HB2 ASN A 89 7.322 -3.272 10.083 1.00 0.00 H new ATOM 0 HB3 ASN A 89 8.482 -4.485 9.579 1.00 0.00 H new ATOM 0 HD21 ASN A 89 10.097 -1.324 11.163 1.00 0.00 H new ATOM 0 HD22 ASN A 89 8.660 -2.245 11.619 1.00 0.00 H new ATOM 1353 N ASN A 90 7.313 -5.659 7.233 1.00 0.00 N ATOM 1354 CA ASN A 90 6.593 -6.902 6.884 1.00 0.00 C ATOM 1355 C ASN A 90 5.948 -7.506 8.143 1.00 0.00 C ATOM 1356 O ASN A 90 4.880 -8.123 8.074 1.00 0.00 O ATOM 1357 CB ASN A 90 7.572 -7.905 6.216 1.00 0.00 C ATOM 1358 CG ASN A 90 6.889 -9.132 5.625 1.00 0.00 C ATOM 1359 OD1 ASN A 90 6.706 -10.146 6.298 1.00 0.00 O ATOM 1360 ND2 ASN A 90 6.510 -9.047 4.358 1.00 0.00 N ATOM 0 H ASN A 90 8.328 -5.755 7.192 1.00 0.00 H new ATOM 0 HA ASN A 90 5.798 -6.677 6.173 1.00 0.00 H new ATOM 0 HB2 ASN A 90 8.121 -7.391 5.427 1.00 0.00 H new ATOM 0 HB3 ASN A 90 8.305 -8.229 6.955 1.00 0.00 H new ATOM 0 HD21 ASN A 90 6.050 -9.839 3.909 1.00 0.00 H new ATOM 0 HD22 ASN A 90 6.679 -8.190 3.832 1.00 0.00 H new ATOM 1367 N VAL A 91 6.628 -7.297 9.292 1.00 0.00 N ATOM 1368 CA VAL A 91 6.101 -7.608 10.636 1.00 0.00 C ATOM 1369 C VAL A 91 4.750 -6.884 10.853 1.00 0.00 C ATOM 1370 O VAL A 91 3.755 -7.490 11.274 1.00 0.00 O ATOM 1371 CB VAL A 91 7.127 -7.168 11.757 1.00 0.00 C ATOM 1372 CG1 VAL A 91 6.591 -7.466 13.184 1.00 0.00 C ATOM 1373 CG2 VAL A 91 8.519 -7.826 11.540 1.00 0.00 C ATOM 0 H VAL A 91 7.569 -6.903 9.311 1.00 0.00 H new ATOM 0 HA VAL A 91 5.952 -8.685 10.705 1.00 0.00 H new ATOM 0 HB VAL A 91 7.246 -6.088 11.672 1.00 0.00 H new ATOM 0 HG11 VAL A 91 7.327 -7.148 13.923 1.00 0.00 H new ATOM 0 HG12 VAL A 91 5.659 -6.923 13.343 1.00 0.00 H new ATOM 0 HG13 VAL A 91 6.410 -8.536 13.289 1.00 0.00 H new ATOM 0 HG21 VAL A 91 9.201 -7.503 12.327 1.00 0.00 H new ATOM 0 HG22 VAL A 91 8.417 -8.911 11.570 1.00 0.00 H new ATOM 0 HG23 VAL A 91 8.916 -7.526 10.570 1.00 0.00 H new ATOM 1383 N GLU A 92 4.749 -5.588 10.500 1.00 0.00 N ATOM 1384 CA GLU A 92 3.589 -4.689 10.650 1.00 0.00 C ATOM 1385 C GLU A 92 2.454 -5.085 9.692 1.00 0.00 C ATOM 1386 O GLU A 92 1.308 -5.234 10.109 1.00 0.00 O ATOM 1387 CB GLU A 92 4.006 -3.216 10.385 1.00 0.00 C ATOM 1388 CG GLU A 92 2.893 -2.181 10.663 1.00 0.00 C ATOM 1389 CD GLU A 92 2.387 -2.233 12.117 1.00 0.00 C ATOM 1390 OE1 GLU A 92 3.147 -1.880 13.032 1.00 0.00 O ATOM 1391 OE2 GLU A 92 1.238 -2.633 12.357 1.00 0.00 O ATOM 0 H GLU A 92 5.565 -5.127 10.097 1.00 0.00 H new ATOM 0 HA GLU A 92 3.227 -4.782 11.674 1.00 0.00 H new ATOM 0 HB2 GLU A 92 4.870 -2.978 11.005 1.00 0.00 H new ATOM 0 HB3 GLU A 92 4.323 -3.121 9.346 1.00 0.00 H new ATOM 0 HG2 GLU A 92 3.270 -1.181 10.449 1.00 0.00 H new ATOM 0 HG3 GLU A 92 2.058 -2.359 9.985 1.00 0.00 H new ATOM 1398 N MET A 93 2.820 -5.261 8.413 1.00 0.00 N ATOM 1399 CA MET A 93 1.893 -5.602 7.315 1.00 0.00 C ATOM 1400 C MET A 93 1.079 -6.863 7.645 1.00 0.00 C ATOM 1401 O MET A 93 -0.156 -6.865 7.549 1.00 0.00 O ATOM 1402 CB MET A 93 2.718 -5.772 6.001 1.00 0.00 C ATOM 1403 CG MET A 93 1.946 -6.315 4.783 1.00 0.00 C ATOM 1404 SD MET A 93 1.637 -8.096 4.865 1.00 0.00 S ATOM 1405 CE MET A 93 3.302 -8.738 5.007 1.00 0.00 C ATOM 0 H MET A 93 3.788 -5.169 8.104 1.00 0.00 H new ATOM 0 HA MET A 93 1.171 -4.797 7.181 1.00 0.00 H new ATOM 0 HB2 MET A 93 3.143 -4.804 5.735 1.00 0.00 H new ATOM 0 HB3 MET A 93 3.554 -6.442 6.204 1.00 0.00 H new ATOM 0 HG2 MET A 93 0.993 -5.792 4.703 1.00 0.00 H new ATOM 0 HG3 MET A 93 2.509 -6.093 3.877 1.00 0.00 H new ATOM 0 HE1 MET A 93 3.392 -9.649 4.416 1.00 0.00 H new ATOM 0 HE2 MET A 93 4.011 -7.996 4.640 1.00 0.00 H new ATOM 0 HE3 MET A 93 3.518 -8.961 6.052 1.00 0.00 H new ATOM 1415 N ASP A 94 1.797 -7.911 8.078 1.00 0.00 N ATOM 1416 CA ASP A 94 1.205 -9.212 8.423 1.00 0.00 C ATOM 1417 C ASP A 94 0.268 -9.087 9.634 1.00 0.00 C ATOM 1418 O ASP A 94 -0.836 -9.659 9.640 1.00 0.00 O ATOM 1419 CB ASP A 94 2.316 -10.243 8.717 1.00 0.00 C ATOM 1420 CG ASP A 94 1.755 -11.649 9.001 1.00 0.00 C ATOM 1421 OD1 ASP A 94 1.346 -12.335 8.041 1.00 0.00 O ATOM 1422 OD2 ASP A 94 1.699 -12.068 10.177 1.00 0.00 O ATOM 0 H ASP A 94 2.809 -7.879 8.199 1.00 0.00 H new ATOM 0 HA ASP A 94 0.618 -9.554 7.571 1.00 0.00 H new ATOM 0 HB2 ASP A 94 2.996 -10.292 7.867 1.00 0.00 H new ATOM 0 HB3 ASP A 94 2.900 -9.908 9.574 1.00 0.00 H new ATOM 1427 N TRP A 95 0.720 -8.311 10.631 1.00 0.00 N ATOM 1428 CA TRP A 95 -0.030 -8.086 11.874 1.00 0.00 C ATOM 1429 C TRP A 95 -1.358 -7.360 11.588 1.00 0.00 C ATOM 1430 O TRP A 95 -2.359 -7.652 12.228 1.00 0.00 O ATOM 1431 CB TRP A 95 0.817 -7.282 12.897 1.00 0.00 C ATOM 1432 CG TRP A 95 0.135 -7.104 14.241 1.00 0.00 C ATOM 1433 CD1 TRP A 95 0.070 -8.018 15.254 1.00 0.00 C ATOM 1434 CD2 TRP A 95 -0.604 -5.956 14.696 1.00 0.00 C ATOM 1435 NE1 TRP A 95 -0.652 -7.514 16.302 1.00 0.00 N ATOM 1436 CE2 TRP A 95 -1.074 -6.251 15.988 1.00 0.00 C ATOM 1437 CE3 TRP A 95 -0.906 -4.709 14.140 1.00 0.00 C ATOM 1438 CZ2 TRP A 95 -1.828 -5.352 16.734 1.00 0.00 C ATOM 1439 CZ3 TRP A 95 -1.658 -3.817 14.879 1.00 0.00 C ATOM 1440 CH2 TRP A 95 -2.105 -4.139 16.167 1.00 0.00 C ATOM 0 H TRP A 95 1.615 -7.823 10.597 1.00 0.00 H new ATOM 0 HA TRP A 95 -0.256 -9.060 12.308 1.00 0.00 H new ATOM 0 HB2 TRP A 95 1.770 -7.790 13.047 1.00 0.00 H new ATOM 0 HB3 TRP A 95 1.041 -6.300 12.479 1.00 0.00 H new ATOM 0 HD1 TRP A 95 0.523 -8.998 15.231 1.00 0.00 H new ATOM 0 HE1 TRP A 95 -0.845 -8.002 17.177 1.00 0.00 H new ATOM 0 HE3 TRP A 95 -0.558 -4.448 13.151 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 -2.181 -5.602 17.723 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 -1.906 -2.854 14.457 1.00 0.00 H new ATOM 0 HH2 TRP A 95 -2.680 -3.414 16.724 1.00 0.00 H new ATOM 1451 N VAL A 96 -1.345 -6.417 10.627 1.00 0.00 N ATOM 1452 CA VAL A 96 -2.544 -5.633 10.256 1.00 0.00 C ATOM 1453 C VAL A 96 -3.495 -6.449 9.357 1.00 0.00 C ATOM 1454 O VAL A 96 -4.699 -6.268 9.418 1.00 0.00 O ATOM 1455 CB VAL A 96 -2.182 -4.248 9.601 1.00 0.00 C ATOM 1456 CG1 VAL A 96 -3.447 -3.439 9.192 1.00 0.00 C ATOM 1457 CG2 VAL A 96 -1.314 -3.407 10.563 1.00 0.00 C ATOM 0 H VAL A 96 -0.513 -6.177 10.089 1.00 0.00 H new ATOM 0 HA VAL A 96 -3.070 -5.411 11.185 1.00 0.00 H new ATOM 0 HB VAL A 96 -1.619 -4.464 8.693 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -3.144 -2.492 8.745 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -4.028 -4.012 8.469 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -4.056 -3.245 10.075 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -1.072 -2.453 10.095 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -1.863 -3.229 11.487 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -0.393 -3.945 10.786 1.00 0.00 H new ATOM 1467 N LEU A 97 -2.969 -7.376 8.546 1.00 0.00 N ATOM 1468 CA LEU A 97 -3.828 -8.285 7.745 1.00 0.00 C ATOM 1469 C LEU A 97 -4.485 -9.366 8.642 1.00 0.00 C ATOM 1470 O LEU A 97 -5.454 -10.014 8.234 1.00 0.00 O ATOM 1471 CB LEU A 97 -3.028 -8.914 6.576 1.00 0.00 C ATOM 1472 CG LEU A 97 -2.488 -7.908 5.507 1.00 0.00 C ATOM 1473 CD1 LEU A 97 -1.715 -8.640 4.398 1.00 0.00 C ATOM 1474 CD2 LEU A 97 -3.623 -7.027 4.923 1.00 0.00 C ATOM 0 H LEU A 97 -1.967 -7.523 8.421 1.00 0.00 H new ATOM 0 HA LEU A 97 -4.634 -7.695 7.308 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -2.183 -9.463 6.992 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -3.665 -9.642 6.074 1.00 0.00 H new ATOM 0 HG LEU A 97 -1.791 -7.238 6.010 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -1.351 -7.916 3.669 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -0.869 -9.172 4.834 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -2.375 -9.352 3.903 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -3.208 -6.341 4.184 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -4.370 -7.663 4.448 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -4.090 -6.456 5.726 1.00 0.00 H new ATOM 1486 N LYS A 98 -3.935 -9.541 9.862 1.00 0.00 N ATOM 1487 CA LYS A 98 -4.537 -10.376 10.926 1.00 0.00 C ATOM 1488 C LYS A 98 -5.404 -9.512 11.872 1.00 0.00 C ATOM 1489 O LYS A 98 -6.426 -9.967 12.382 1.00 0.00 O ATOM 1490 CB LYS A 98 -3.421 -11.109 11.725 1.00 0.00 C ATOM 1491 CG LYS A 98 -2.707 -12.220 10.930 1.00 0.00 C ATOM 1492 CD LYS A 98 -1.598 -12.930 11.748 1.00 0.00 C ATOM 1493 CE LYS A 98 -1.089 -14.212 11.061 1.00 0.00 C ATOM 1494 NZ LYS A 98 -0.548 -13.963 9.702 1.00 0.00 N ATOM 0 H LYS A 98 -3.056 -9.105 10.139 1.00 0.00 H new ATOM 0 HA LYS A 98 -5.182 -11.122 10.461 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -2.682 -10.377 12.051 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -3.858 -11.543 12.624 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -3.441 -12.958 10.607 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -2.268 -11.791 10.029 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -0.764 -12.244 11.895 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -1.983 -13.180 12.737 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -0.313 -14.665 11.678 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -1.905 -14.932 10.995 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -1.153 -14.429 8.997 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -0.528 -12.939 9.519 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 0.417 -14.346 9.637 1.00 0.00 H new ATOM 1508 N HIS A 99 -4.986 -8.257 12.085 1.00 0.00 N ATOM 1509 CA HIS A 99 -5.627 -7.315 13.023 1.00 0.00 C ATOM 1510 C HIS A 99 -5.767 -5.970 12.303 1.00 0.00 C ATOM 1511 O HIS A 99 -4.892 -5.102 12.416 1.00 0.00 O ATOM 1512 CB HIS A 99 -4.793 -7.198 14.341 1.00 0.00 C ATOM 1513 CG HIS A 99 -5.384 -6.311 15.417 1.00 0.00 C ATOM 1514 ND1 HIS A 99 -6.006 -6.803 16.545 1.00 0.00 N ATOM 1515 CD2 HIS A 99 -5.414 -4.963 15.546 1.00 0.00 C ATOM 1516 CE1 HIS A 99 -6.380 -5.799 17.315 1.00 0.00 C ATOM 1517 NE2 HIS A 99 -6.036 -4.671 16.729 1.00 0.00 N ATOM 0 H HIS A 99 -4.180 -7.858 11.604 1.00 0.00 H new ATOM 0 HA HIS A 99 -6.614 -7.669 13.319 1.00 0.00 H new ATOM 0 HB2 HIS A 99 -4.659 -8.198 14.754 1.00 0.00 H new ATOM 0 HB3 HIS A 99 -3.802 -6.821 14.089 1.00 0.00 H new ATOM 0 HD2 HIS A 99 -5.018 -4.247 14.841 1.00 0.00 H new ATOM 0 HE1 HIS A 99 -6.884 -5.887 18.266 1.00 0.00 H new ATOM 0 HE2 HIS A 99 -6.205 -3.735 17.096 1.00 0.00 H new