USER MOD reduce.3.24.130724 H: found=0, std=0, add=865, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 866 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 11 THR OG1 : rot 180:sc= -0.174 USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 HIS : no HD1:sc= -0.0153 X(o=-0.015,f=0) USER MOD Single : A 33 LYS NZ :NH3+ -127:sc= 0.145 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 ASN : amide:sc= -0.0692 X(o=-0.069,f=0) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= 0.0582 K(o=0.058,f=-9.8!) USER MOD Single : A 46 LYS NZ :NH3+ 146:sc= 0.826 (180deg=-1.38!) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 51 MET CE :methyl -145:sc= -0.176 (180deg=-2.14) USER MOD Single : A 52 SER OG : rot 31:sc= 0.329 USER MOD Single : A 59 ASN : amide:sc= -0.0946 K(o=-0.095,f=-5.1!) USER MOD Single : A 70 MET CE :methyl -174:sc= -2.65 (180deg=-3.16) USER MOD Single : A 80 ASN : amide:sc= -1.44 K(o=-1.4,f=-0.9) USER MOD Single : A 81 ASN : amide:sc= -0.0401 X(o=-0.04,f=0) USER MOD Single : A 82 GLN : amide:sc= 0 X(o=0,f=-0.0099) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 180:sc=0.000518 USER MOD Single : A 89 HIS : no HD1:sc= -0.616 X(o=-0.62,f=-1.1) USER MOD Single : A 90 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 91 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 THR OG1 : rot -18:sc= 1.1 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 ASN : amide:sc= -0.175 K(o=-0.17,f=-2.3!) USER MOD Single : A 115 ASN : amide:sc= -0.215 K(o=-0.21,f=-1.8) USER MOD Single : A 116 GLN : amide:sc= -0.592 K(o=-0.59,f=-1.4) USER MOD Single : A 117 MET CE :methyl -156:sc= -1.06 (180deg=-1.53) USER MOD ----------------------------------------------------------------- ATOM 88 N PHE A 10 1.285 -11.863 10.705 1.00 0.00 N ATOM 89 CA PHE A 10 0.697 -10.614 10.234 1.00 0.00 C ATOM 90 C PHE A 10 0.741 -9.548 11.325 1.00 0.00 C ATOM 91 O PHE A 10 0.091 -8.507 11.219 1.00 0.00 O ATOM 92 CB PHE A 10 -0.748 -10.843 9.787 1.00 0.00 C ATOM 93 CG PHE A 10 -0.865 -11.666 8.536 1.00 0.00 C ATOM 94 CD1 PHE A 10 -0.798 -13.048 8.591 1.00 0.00 C ATOM 95 CD2 PHE A 10 -1.041 -11.056 7.304 1.00 0.00 C ATOM 96 CE1 PHE A 10 -0.906 -13.808 7.441 1.00 0.00 C ATOM 97 CE2 PHE A 10 -1.150 -11.811 6.151 1.00 0.00 C ATOM 98 CZ PHE A 10 -1.081 -13.188 6.220 1.00 0.00 C ATOM 0 HA PHE A 10 1.282 -10.263 9.384 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -1.294 -11.338 10.590 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -1.227 -9.877 9.623 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -0.660 -13.538 9.543 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -1.094 -9.979 7.244 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -0.854 -14.885 7.498 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -1.289 -11.324 5.197 1.00 0.00 H new ATOM 0 HZ PHE A 10 -1.164 -13.779 5.320 1.00 0.00 H new ATOM 108 N THR A 11 1.511 -9.815 12.375 1.00 0.00 N ATOM 109 CA THR A 11 1.640 -8.880 13.486 1.00 0.00 C ATOM 110 C THR A 11 2.603 -7.749 13.145 1.00 0.00 C ATOM 111 O THR A 11 3.608 -7.961 12.466 1.00 0.00 O ATOM 112 CB THR A 11 2.129 -9.589 14.763 1.00 0.00 C ATOM 113 OG1 THR A 11 3.298 -10.365 14.474 1.00 0.00 O ATOM 114 CG2 THR A 11 1.044 -10.491 15.331 1.00 0.00 C ATOM 0 H THR A 11 2.055 -10.671 12.479 1.00 0.00 H new ATOM 0 HA THR A 11 0.648 -8.466 13.667 1.00 0.00 H new ATOM 0 HB THR A 11 2.371 -8.828 15.505 1.00 0.00 H new ATOM 0 HG1 THR A 11 3.604 -10.812 15.291 1.00 0.00 H new ATOM 0 HG21 THR A 11 1.413 -10.981 16.232 1.00 0.00 H new ATOM 0 HG22 THR A 11 0.166 -9.894 15.576 1.00 0.00 H new ATOM 0 HG23 THR A 11 0.775 -11.246 14.592 1.00 0.00 H new ATOM 122 N ASP A 12 2.291 -6.549 13.620 1.00 0.00 N ATOM 123 CA ASP A 12 3.131 -5.384 13.367 1.00 0.00 C ATOM 124 C ASP A 12 4.609 -5.745 13.477 1.00 0.00 C ATOM 125 O ASP A 12 5.382 -5.526 12.545 1.00 0.00 O ATOM 126 CB ASP A 12 2.792 -4.261 14.349 1.00 0.00 C ATOM 127 CG ASP A 12 2.313 -4.788 15.687 1.00 0.00 C ATOM 128 OD1 ASP A 12 1.209 -5.371 15.735 1.00 0.00 O ATOM 129 OD2 ASP A 12 3.041 -4.618 16.687 1.00 0.00 O ATOM 0 H ASP A 12 1.462 -6.357 14.183 1.00 0.00 H new ATOM 0 HA ASP A 12 2.935 -5.039 12.352 1.00 0.00 H new ATOM 0 HB2 ASP A 12 3.673 -3.637 14.502 1.00 0.00 H new ATOM 0 HB3 ASP A 12 2.021 -3.624 13.916 1.00 0.00 H new ATOM 134 N GLN A 13 4.993 -6.299 14.623 1.00 0.00 N ATOM 135 CA GLN A 13 6.379 -6.688 14.855 1.00 0.00 C ATOM 136 C GLN A 13 6.891 -7.578 13.727 1.00 0.00 C ATOM 137 O GLN A 13 8.035 -7.450 13.292 1.00 0.00 O ATOM 138 CB GLN A 13 6.509 -7.417 16.194 1.00 0.00 C ATOM 139 CG GLN A 13 5.714 -8.711 16.261 1.00 0.00 C ATOM 140 CD GLN A 13 5.820 -9.392 17.612 1.00 0.00 C ATOM 141 OE1 GLN A 13 6.523 -10.391 17.762 1.00 0.00 O ATOM 142 NE2 GLN A 13 5.121 -8.852 18.603 1.00 0.00 N ATOM 0 H GLN A 13 4.365 -6.488 15.404 1.00 0.00 H new ATOM 0 HA GLN A 13 6.984 -5.782 14.882 1.00 0.00 H new ATOM 0 HB2 GLN A 13 7.561 -7.636 16.378 1.00 0.00 H new ATOM 0 HB3 GLN A 13 6.177 -6.754 16.993 1.00 0.00 H new ATOM 0 HG2 GLN A 13 4.666 -8.501 16.046 1.00 0.00 H new ATOM 0 HG3 GLN A 13 6.069 -9.391 15.487 1.00 0.00 H new ATOM 0 HE21 GLN A 13 4.551 -8.023 18.433 1.00 0.00 H new ATOM 0 HE22 GLN A 13 5.154 -9.266 19.535 1.00 0.00 H new ATOM 151 N LYS A 14 6.036 -8.479 13.257 1.00 0.00 N ATOM 152 CA LYS A 14 6.399 -9.391 12.178 1.00 0.00 C ATOM 153 C LYS A 14 6.442 -8.660 10.840 1.00 0.00 C ATOM 154 O LYS A 14 7.230 -9.006 9.958 1.00 0.00 O ATOM 155 CB LYS A 14 5.405 -10.551 12.106 1.00 0.00 C ATOM 156 CG LYS A 14 5.687 -11.657 13.108 1.00 0.00 C ATOM 157 CD LYS A 14 6.602 -12.720 12.523 1.00 0.00 C ATOM 158 CE LYS A 14 8.063 -12.309 12.613 1.00 0.00 C ATOM 159 NZ LYS A 14 8.979 -13.444 12.310 1.00 0.00 N ATOM 0 H LYS A 14 5.085 -8.598 13.607 1.00 0.00 H new ATOM 0 HA LYS A 14 7.393 -9.786 12.389 1.00 0.00 H new ATOM 0 HB2 LYS A 14 4.399 -10.167 12.275 1.00 0.00 H new ATOM 0 HB3 LYS A 14 5.422 -10.971 11.100 1.00 0.00 H new ATOM 0 HG2 LYS A 14 6.146 -11.232 14.001 1.00 0.00 H new ATOM 0 HG3 LYS A 14 4.748 -12.115 13.419 1.00 0.00 H new ATOM 0 HD2 LYS A 14 6.454 -13.661 13.054 1.00 0.00 H new ATOM 0 HD3 LYS A 14 6.336 -12.897 11.481 1.00 0.00 H new ATOM 0 HE2 LYS A 14 8.254 -11.492 11.917 1.00 0.00 H new ATOM 0 HE3 LYS A 14 8.273 -11.930 13.613 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 9.966 -13.123 12.382 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 8.815 -14.214 12.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 8.797 -13.789 11.346 1.00 0.00 H new ATOM 173 N ILE A 15 5.593 -7.648 10.696 1.00 0.00 N ATOM 174 CA ILE A 15 5.537 -6.868 9.466 1.00 0.00 C ATOM 175 C ILE A 15 6.769 -5.983 9.320 1.00 0.00 C ATOM 176 O ILE A 15 7.440 -6.000 8.287 1.00 0.00 O ATOM 177 CB ILE A 15 4.276 -5.985 9.417 1.00 0.00 C ATOM 178 CG1 ILE A 15 3.025 -6.853 9.257 1.00 0.00 C ATOM 179 CG2 ILE A 15 4.377 -4.979 8.280 1.00 0.00 C ATOM 180 CD1 ILE A 15 1.735 -6.107 9.518 1.00 0.00 C ATOM 0 H ILE A 15 4.935 -7.349 11.416 1.00 0.00 H new ATOM 0 HA ILE A 15 5.505 -7.580 8.642 1.00 0.00 H new ATOM 0 HB ILE A 15 4.198 -5.437 10.356 1.00 0.00 H new ATOM 0 HG12 ILE A 15 3.002 -7.260 8.246 1.00 0.00 H new ATOM 0 HG13 ILE A 15 3.090 -7.700 9.940 1.00 0.00 H new ATOM 0 HG21 ILE A 15 3.478 -4.363 8.259 1.00 0.00 H new ATOM 0 HG22 ILE A 15 5.249 -4.344 8.433 1.00 0.00 H new ATOM 0 HG23 ILE A 15 4.476 -5.509 7.333 1.00 0.00 H new ATOM 0 HD11 ILE A 15 0.890 -6.783 9.386 1.00 0.00 H new ATOM 0 HD12 ILE A 15 1.737 -5.723 10.538 1.00 0.00 H new ATOM 0 HD13 ILE A 15 1.647 -5.276 8.818 1.00 0.00 H new ATOM 192 N ARG A 16 7.063 -5.210 10.360 1.00 0.00 N ATOM 193 CA ARG A 16 8.216 -4.318 10.348 1.00 0.00 C ATOM 194 C ARG A 16 9.516 -5.111 10.254 1.00 0.00 C ATOM 195 O ARG A 16 10.507 -4.632 9.703 1.00 0.00 O ATOM 196 CB ARG A 16 8.228 -3.448 11.606 1.00 0.00 C ATOM 197 CG ARG A 16 8.326 -4.244 12.897 1.00 0.00 C ATOM 198 CD ARG A 16 8.396 -3.331 14.111 1.00 0.00 C ATOM 199 NE ARG A 16 9.758 -2.880 14.379 1.00 0.00 N ATOM 200 CZ ARG A 16 10.690 -3.645 14.936 1.00 0.00 C ATOM 201 NH1 ARG A 16 10.408 -4.894 15.281 1.00 0.00 N ATOM 202 NH2 ARG A 16 11.908 -3.163 15.148 1.00 0.00 N ATOM 0 H ARG A 16 6.518 -5.183 11.222 1.00 0.00 H new ATOM 0 HA ARG A 16 8.137 -3.676 9.471 1.00 0.00 H new ATOM 0 HB2 ARG A 16 9.069 -2.756 11.551 1.00 0.00 H new ATOM 0 HB3 ARG A 16 7.320 -2.845 11.629 1.00 0.00 H new ATOM 0 HG2 ARG A 16 7.462 -4.903 12.986 1.00 0.00 H new ATOM 0 HG3 ARG A 16 9.211 -4.880 12.867 1.00 0.00 H new ATOM 0 HD2 ARG A 16 7.753 -2.466 13.951 1.00 0.00 H new ATOM 0 HD3 ARG A 16 8.010 -3.858 14.984 1.00 0.00 H new ATOM 0 HE ARG A 16 10.008 -1.924 14.124 1.00 0.00 H new ATOM 0 HH11 ARG A 16 9.474 -5.269 15.119 1.00 0.00 H new ATOM 0 HH12 ARG A 16 11.126 -5.479 15.709 1.00 0.00 H new ATOM 0 HH21 ARG A 16 12.130 -2.203 14.883 1.00 0.00 H new ATOM 0 HH22 ARG A 16 12.622 -3.752 15.576 1.00 0.00 H new ATOM 216 N GLN A 17 9.504 -6.325 10.794 1.00 0.00 N ATOM 217 CA GLN A 17 10.682 -7.184 10.772 1.00 0.00 C ATOM 218 C GLN A 17 10.784 -7.934 9.448 1.00 0.00 C ATOM 219 O GLN A 17 11.880 -8.254 8.987 1.00 0.00 O ATOM 220 CB GLN A 17 10.637 -8.178 11.933 1.00 0.00 C ATOM 221 CG GLN A 17 11.188 -7.619 13.235 1.00 0.00 C ATOM 222 CD GLN A 17 11.797 -8.689 14.119 1.00 0.00 C ATOM 223 OE1 GLN A 17 11.148 -9.198 15.033 1.00 0.00 O ATOM 224 NE2 GLN A 17 13.050 -9.037 13.850 1.00 0.00 N ATOM 0 H GLN A 17 8.691 -6.736 11.252 1.00 0.00 H new ATOM 0 HA GLN A 17 11.563 -6.552 10.879 1.00 0.00 H new ATOM 0 HB2 GLN A 17 9.606 -8.493 12.090 1.00 0.00 H new ATOM 0 HB3 GLN A 17 11.204 -9.068 11.661 1.00 0.00 H new ATOM 0 HG2 GLN A 17 11.943 -6.865 13.011 1.00 0.00 H new ATOM 0 HG3 GLN A 17 10.387 -7.117 13.778 1.00 0.00 H new ATOM 0 HE21 GLN A 17 13.550 -8.589 13.082 1.00 0.00 H new ATOM 0 HE22 GLN A 17 13.512 -9.753 14.411 1.00 0.00 H new ATOM 233 N ARG A 18 9.635 -8.211 8.841 1.00 0.00 N ATOM 234 CA ARG A 18 9.594 -8.925 7.570 1.00 0.00 C ATOM 235 C ARG A 18 10.161 -8.065 6.445 1.00 0.00 C ATOM 236 O ARG A 18 10.965 -8.532 5.637 1.00 0.00 O ATOM 237 CB ARG A 18 8.159 -9.338 7.238 1.00 0.00 C ATOM 238 CG ARG A 18 7.995 -9.894 5.833 1.00 0.00 C ATOM 239 CD ARG A 18 6.696 -10.672 5.690 1.00 0.00 C ATOM 240 NE ARG A 18 6.860 -12.080 6.039 1.00 0.00 N ATOM 241 CZ ARG A 18 7.641 -12.918 5.366 1.00 0.00 C ATOM 242 NH1 ARG A 18 8.325 -12.492 4.314 1.00 0.00 N ATOM 243 NH2 ARG A 18 7.738 -14.186 5.746 1.00 0.00 N ATOM 0 H ARG A 18 8.720 -7.952 9.209 1.00 0.00 H new ATOM 0 HA ARG A 18 10.209 -9.820 7.665 1.00 0.00 H new ATOM 0 HB2 ARG A 18 7.830 -10.088 7.957 1.00 0.00 H new ATOM 0 HB3 ARG A 18 7.505 -8.474 7.357 1.00 0.00 H new ATOM 0 HG2 ARG A 18 8.012 -9.076 5.113 1.00 0.00 H new ATOM 0 HG3 ARG A 18 8.838 -10.544 5.597 1.00 0.00 H new ATOM 0 HD2 ARG A 18 5.934 -10.226 6.330 1.00 0.00 H new ATOM 0 HD3 ARG A 18 6.337 -10.592 4.664 1.00 0.00 H new ATOM 0 HE ARG A 18 6.347 -12.440 6.844 1.00 0.00 H new ATOM 0 HH11 ARG A 18 8.253 -11.518 4.019 1.00 0.00 H new ATOM 0 HH12 ARG A 18 8.924 -13.138 3.799 1.00 0.00 H new ATOM 0 HH21 ARG A 18 7.213 -14.518 6.555 1.00 0.00 H new ATOM 0 HH22 ARG A 18 8.338 -14.829 5.229 1.00 0.00 H new ATOM 257 N TYR A 19 9.736 -6.807 6.398 1.00 0.00 N ATOM 258 CA TYR A 19 10.199 -5.882 5.370 1.00 0.00 C ATOM 259 C TYR A 19 11.303 -4.978 5.908 1.00 0.00 C ATOM 260 O TYR A 19 11.668 -3.984 5.280 1.00 0.00 O ATOM 261 CB TYR A 19 9.034 -5.034 4.856 1.00 0.00 C ATOM 262 CG TYR A 19 7.944 -5.842 4.190 1.00 0.00 C ATOM 263 CD1 TYR A 19 8.148 -6.430 2.947 1.00 0.00 C ATOM 264 CD2 TYR A 19 6.709 -6.019 4.803 1.00 0.00 C ATOM 265 CE1 TYR A 19 7.155 -7.169 2.335 1.00 0.00 C ATOM 266 CE2 TYR A 19 5.711 -6.757 4.198 1.00 0.00 C ATOM 267 CZ TYR A 19 5.938 -7.330 2.964 1.00 0.00 C ATOM 268 OH TYR A 19 4.946 -8.066 2.358 1.00 0.00 O ATOM 0 H TYR A 19 9.072 -6.405 7.059 1.00 0.00 H new ATOM 0 HA TYR A 19 10.605 -6.468 4.545 1.00 0.00 H new ATOM 0 HB2 TYR A 19 8.605 -4.478 5.690 1.00 0.00 H new ATOM 0 HB3 TYR A 19 9.415 -4.300 4.146 1.00 0.00 H new ATOM 0 HD1 TYR A 19 9.100 -6.307 2.451 1.00 0.00 H new ATOM 0 HD2 TYR A 19 6.527 -5.572 5.769 1.00 0.00 H new ATOM 0 HE1 TYR A 19 7.330 -7.619 1.369 1.00 0.00 H new ATOM 0 HE2 TYR A 19 4.757 -6.885 4.689 1.00 0.00 H new ATOM 0 HH TYR A 19 4.153 -8.083 2.934 1.00 0.00 H new ATOM 278 N ALA A 20 11.831 -5.330 7.075 1.00 0.00 N ATOM 279 CA ALA A 20 12.896 -4.553 7.698 1.00 0.00 C ATOM 280 C ALA A 20 14.171 -4.602 6.863 1.00 0.00 C ATOM 281 O ALA A 20 15.138 -3.896 7.149 1.00 0.00 O ATOM 282 CB ALA A 20 13.165 -5.060 9.107 1.00 0.00 C ATOM 0 H ALA A 20 11.539 -6.149 7.609 1.00 0.00 H new ATOM 0 HA ALA A 20 12.569 -3.515 7.754 1.00 0.00 H new ATOM 0 HB1 ALA A 20 13.962 -4.471 9.560 1.00 0.00 H new ATOM 0 HB2 ALA A 20 12.259 -4.966 9.706 1.00 0.00 H new ATOM 0 HB3 ALA A 20 13.466 -6.107 9.066 1.00 0.00 H new ATOM 288 N ASP A 21 14.166 -5.440 5.833 1.00 0.00 N ATOM 289 CA ASP A 21 15.324 -5.581 4.956 1.00 0.00 C ATOM 290 C ASP A 21 15.253 -4.589 3.799 1.00 0.00 C ATOM 291 O ASP A 21 16.263 -4.293 3.159 1.00 0.00 O ATOM 292 CB ASP A 21 15.410 -7.009 4.415 1.00 0.00 C ATOM 293 CG ASP A 21 16.124 -7.947 5.368 1.00 0.00 C ATOM 294 OD1 ASP A 21 17.372 -7.927 5.395 1.00 0.00 O ATOM 295 OD2 ASP A 21 15.435 -8.700 6.087 1.00 0.00 O ATOM 0 H ASP A 21 13.374 -6.032 5.584 1.00 0.00 H new ATOM 0 HA ASP A 21 16.219 -5.368 5.540 1.00 0.00 H new ATOM 0 HB2 ASP A 21 14.404 -7.384 4.226 1.00 0.00 H new ATOM 0 HB3 ASP A 21 15.932 -7.001 3.458 1.00 0.00 H new ATOM 300 N LEU A 22 14.055 -4.079 3.536 1.00 0.00 N ATOM 301 CA LEU A 22 13.852 -3.121 2.455 1.00 0.00 C ATOM 302 C LEU A 22 14.659 -1.849 2.696 1.00 0.00 C ATOM 303 O LEU A 22 14.895 -1.440 3.833 1.00 0.00 O ATOM 304 CB LEU A 22 12.367 -2.778 2.323 1.00 0.00 C ATOM 305 CG LEU A 22 11.413 -3.966 2.188 1.00 0.00 C ATOM 306 CD1 LEU A 22 10.005 -3.487 1.874 1.00 0.00 C ATOM 307 CD2 LEU A 22 11.905 -4.925 1.114 1.00 0.00 C ATOM 0 H LEU A 22 13.210 -4.313 4.056 1.00 0.00 H new ATOM 0 HA LEU A 22 14.197 -3.579 1.528 1.00 0.00 H new ATOM 0 HB2 LEU A 22 12.070 -2.197 3.196 1.00 0.00 H new ATOM 0 HB3 LEU A 22 12.239 -2.134 1.453 1.00 0.00 H new ATOM 0 HG LEU A 22 11.389 -4.498 3.139 1.00 0.00 H new ATOM 0 HD11 LEU A 22 9.341 -4.346 1.782 1.00 0.00 H new ATOM 0 HD12 LEU A 22 9.653 -2.841 2.678 1.00 0.00 H new ATOM 0 HD13 LEU A 22 10.011 -2.930 0.937 1.00 0.00 H new ATOM 0 HD21 LEU A 22 11.214 -5.764 1.031 1.00 0.00 H new ATOM 0 HD22 LEU A 22 11.959 -4.404 0.158 1.00 0.00 H new ATOM 0 HD23 LEU A 22 12.895 -5.295 1.382 1.00 0.00 H new ATOM 319 N PRO A 23 15.092 -1.207 1.601 1.00 0.00 N ATOM 320 CA PRO A 23 15.877 0.030 1.667 1.00 0.00 C ATOM 321 C PRO A 23 15.051 1.215 2.156 1.00 0.00 C ATOM 322 O PRO A 23 15.462 1.938 3.063 1.00 0.00 O ATOM 323 CB PRO A 23 16.318 0.247 0.218 1.00 0.00 C ATOM 324 CG PRO A 23 15.289 -0.453 -0.601 1.00 0.00 C ATOM 325 CD PRO A 23 14.847 -1.637 0.214 1.00 0.00 C ATOM 0 HA PRO A 23 16.705 -0.049 2.372 1.00 0.00 H new ATOM 0 HB2 PRO A 23 16.364 1.308 -0.027 1.00 0.00 H new ATOM 0 HB3 PRO A 23 17.312 -0.164 0.041 1.00 0.00 H new ATOM 0 HG2 PRO A 23 14.449 0.206 -0.819 1.00 0.00 H new ATOM 0 HG3 PRO A 23 15.702 -0.770 -1.559 1.00 0.00 H new ATOM 0 HD2 PRO A 23 13.796 -1.871 0.046 1.00 0.00 H new ATOM 0 HD3 PRO A 23 15.417 -2.532 -0.036 1.00 0.00 H new ATOM 333 N GLY A 24 13.884 1.408 1.550 1.00 0.00 N ATOM 334 CA GLY A 24 13.019 2.507 1.938 1.00 0.00 C ATOM 335 C GLY A 24 12.614 2.439 3.397 1.00 0.00 C ATOM 336 O GLY A 24 13.047 1.547 4.126 1.00 0.00 O ATOM 0 H GLY A 24 13.522 0.823 0.797 1.00 0.00 H new ATOM 0 HA2 GLY A 24 13.530 3.451 1.750 1.00 0.00 H new ATOM 0 HA3 GLY A 24 12.125 2.499 1.315 1.00 0.00 H new ATOM 340 N GLU A 25 11.782 3.384 3.823 1.00 0.00 N ATOM 341 CA GLU A 25 11.321 3.427 5.206 1.00 0.00 C ATOM 342 C GLU A 25 9.884 2.925 5.316 1.00 0.00 C ATOM 343 O GLU A 25 8.975 3.466 4.685 1.00 0.00 O ATOM 344 CB GLU A 25 11.418 4.852 5.755 1.00 0.00 C ATOM 345 CG GLU A 25 12.731 5.143 6.462 1.00 0.00 C ATOM 346 CD GLU A 25 13.114 6.609 6.400 1.00 0.00 C ATOM 347 OE1 GLU A 25 12.201 7.458 6.328 1.00 0.00 O ATOM 348 OE2 GLU A 25 14.326 6.908 6.425 1.00 0.00 O ATOM 0 H GLU A 25 11.414 4.129 3.232 1.00 0.00 H new ATOM 0 HA GLU A 25 11.963 2.773 5.797 1.00 0.00 H new ATOM 0 HB2 GLU A 25 11.293 5.558 4.934 1.00 0.00 H new ATOM 0 HB3 GLU A 25 10.595 5.022 6.450 1.00 0.00 H new ATOM 0 HG2 GLU A 25 12.654 4.835 7.505 1.00 0.00 H new ATOM 0 HG3 GLU A 25 13.523 4.545 6.011 1.00 0.00 H new ATOM 355 N LEU A 26 9.686 1.888 6.122 1.00 0.00 N ATOM 356 CA LEU A 26 8.360 1.311 6.316 1.00 0.00 C ATOM 357 C LEU A 26 7.469 2.253 7.119 1.00 0.00 C ATOM 358 O LEU A 26 7.819 2.662 8.227 1.00 0.00 O ATOM 359 CB LEU A 26 8.469 -0.038 7.028 1.00 0.00 C ATOM 360 CG LEU A 26 7.211 -0.908 7.014 1.00 0.00 C ATOM 361 CD1 LEU A 26 7.160 -1.751 5.749 1.00 0.00 C ATOM 362 CD2 LEU A 26 7.161 -1.794 8.250 1.00 0.00 C ATOM 0 H LEU A 26 10.427 1.429 6.652 1.00 0.00 H new ATOM 0 HA LEU A 26 7.908 1.161 5.335 1.00 0.00 H new ATOM 0 HB2 LEU A 26 9.282 -0.603 6.572 1.00 0.00 H new ATOM 0 HB3 LEU A 26 8.750 0.143 8.066 1.00 0.00 H new ATOM 0 HG LEU A 26 6.339 -0.254 7.026 1.00 0.00 H new ATOM 0 HD11 LEU A 26 6.258 -2.364 5.756 1.00 0.00 H new ATOM 0 HD12 LEU A 26 7.148 -1.098 4.877 1.00 0.00 H new ATOM 0 HD13 LEU A 26 8.037 -2.397 5.707 1.00 0.00 H new ATOM 0 HD21 LEU A 26 6.259 -2.406 8.223 1.00 0.00 H new ATOM 0 HD22 LEU A 26 8.038 -2.441 8.270 1.00 0.00 H new ATOM 0 HD23 LEU A 26 7.150 -1.171 9.144 1.00 0.00 H new ATOM 374 N HIS A 27 6.314 2.592 6.554 1.00 0.00 N ATOM 375 CA HIS A 27 5.371 3.483 7.220 1.00 0.00 C ATOM 376 C HIS A 27 3.979 2.860 7.273 1.00 0.00 C ATOM 377 O HIS A 27 3.287 2.777 6.258 1.00 0.00 O ATOM 378 CB HIS A 27 5.312 4.829 6.496 1.00 0.00 C ATOM 379 CG HIS A 27 6.383 5.785 6.923 1.00 0.00 C ATOM 380 ND1 HIS A 27 6.114 7.007 7.504 1.00 0.00 N ATOM 381 CD2 HIS A 27 7.731 5.694 6.850 1.00 0.00 C ATOM 382 CE1 HIS A 27 7.250 7.625 7.769 1.00 0.00 C ATOM 383 NE2 HIS A 27 8.247 6.850 7.383 1.00 0.00 N ATOM 0 H HIS A 27 6.009 2.263 5.638 1.00 0.00 H new ATOM 0 HA HIS A 27 5.718 3.642 8.241 1.00 0.00 H new ATOM 0 HB2 HIS A 27 5.395 4.659 5.423 1.00 0.00 H new ATOM 0 HB3 HIS A 27 4.338 5.285 6.672 1.00 0.00 H new ATOM 0 HD2 HIS A 27 8.296 4.866 6.448 1.00 0.00 H new ATOM 0 HE1 HIS A 27 7.347 8.599 8.224 1.00 0.00 H new ATOM 0 HE2 HIS A 27 9.239 7.073 7.467 1.00 0.00 H new ATOM 392 N ILE A 28 3.578 2.422 8.461 1.00 0.00 N ATOM 393 CA ILE A 28 2.269 1.807 8.646 1.00 0.00 C ATOM 394 C ILE A 28 1.259 2.814 9.184 1.00 0.00 C ATOM 395 O ILE A 28 1.342 3.237 10.337 1.00 0.00 O ATOM 396 CB ILE A 28 2.342 0.606 9.608 1.00 0.00 C ATOM 397 CG1 ILE A 28 3.337 -0.433 9.087 1.00 0.00 C ATOM 398 CG2 ILE A 28 0.965 -0.014 9.787 1.00 0.00 C ATOM 399 CD1 ILE A 28 3.518 -1.614 10.015 1.00 0.00 C ATOM 0 H ILE A 28 4.140 2.481 9.310 1.00 0.00 H new ATOM 0 HA ILE A 28 1.943 1.458 7.666 1.00 0.00 H new ATOM 0 HB ILE A 28 2.689 0.958 10.579 1.00 0.00 H new ATOM 0 HG12 ILE A 28 2.999 -0.793 8.115 1.00 0.00 H new ATOM 0 HG13 ILE A 28 4.303 0.047 8.930 1.00 0.00 H new ATOM 0 HG21 ILE A 28 1.033 -0.861 10.469 1.00 0.00 H new ATOM 0 HG22 ILE A 28 0.282 0.729 10.198 1.00 0.00 H new ATOM 0 HG23 ILE A 28 0.591 -0.355 8.822 1.00 0.00 H new ATOM 0 HD11 ILE A 28 4.237 -2.310 9.582 1.00 0.00 H new ATOM 0 HD12 ILE A 28 3.886 -1.265 10.980 1.00 0.00 H new ATOM 0 HD13 ILE A 28 2.562 -2.119 10.152 1.00 0.00 H new ATOM 411 N ILE A 29 0.304 3.193 8.341 1.00 0.00 N ATOM 412 CA ILE A 29 -0.725 4.149 8.733 1.00 0.00 C ATOM 413 C ILE A 29 -2.118 3.544 8.594 1.00 0.00 C ATOM 414 O ILE A 29 -2.348 2.679 7.750 1.00 0.00 O ATOM 415 CB ILE A 29 -0.649 5.435 7.889 1.00 0.00 C ATOM 416 CG1 ILE A 29 -0.841 5.110 6.406 1.00 0.00 C ATOM 417 CG2 ILE A 29 0.680 6.139 8.115 1.00 0.00 C ATOM 418 CD1 ILE A 29 -1.296 6.294 5.582 1.00 0.00 C ATOM 0 H ILE A 29 0.221 2.853 7.383 1.00 0.00 H new ATOM 0 HA ILE A 29 -0.543 4.399 9.778 1.00 0.00 H new ATOM 0 HB ILE A 29 -1.450 6.105 8.201 1.00 0.00 H new ATOM 0 HG12 ILE A 29 0.098 4.735 6.000 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -1.573 4.308 6.310 1.00 0.00 H new ATOM 0 HG21 ILE A 29 0.719 7.046 7.512 1.00 0.00 H new ATOM 0 HG22 ILE A 29 0.779 6.400 9.169 1.00 0.00 H new ATOM 0 HG23 ILE A 29 1.496 5.477 7.827 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -1.411 5.990 4.542 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -2.251 6.656 5.962 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -0.554 7.090 5.648 1.00 0.00 H new ATOM 430 N GLU A 30 -3.044 4.008 9.427 1.00 0.00 N ATOM 431 CA GLU A 30 -4.415 3.514 9.396 1.00 0.00 C ATOM 432 C GLU A 30 -5.357 4.557 8.801 1.00 0.00 C ATOM 433 O GLU A 30 -5.531 5.642 9.357 1.00 0.00 O ATOM 434 CB GLU A 30 -4.878 3.139 10.806 1.00 0.00 C ATOM 435 CG GLU A 30 -4.576 1.698 11.183 1.00 0.00 C ATOM 436 CD GLU A 30 -4.346 1.520 12.671 1.00 0.00 C ATOM 437 OE1 GLU A 30 -5.215 1.948 13.460 1.00 0.00 O ATOM 438 OE2 GLU A 30 -3.299 0.953 13.046 1.00 0.00 O ATOM 0 H GLU A 30 -2.870 4.725 10.131 1.00 0.00 H new ATOM 0 HA GLU A 30 -4.439 2.626 8.765 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -4.398 3.802 11.525 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -5.952 3.309 10.884 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -5.404 1.063 10.869 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -3.693 1.362 10.640 1.00 0.00 H new ATOM 445 N LEU A 31 -5.961 4.221 7.667 1.00 0.00 N ATOM 446 CA LEU A 31 -6.885 5.127 6.994 1.00 0.00 C ATOM 447 C LEU A 31 -8.297 4.552 6.977 1.00 0.00 C ATOM 448 O LEU A 31 -8.511 3.420 6.544 1.00 0.00 O ATOM 449 CB LEU A 31 -6.415 5.397 5.563 1.00 0.00 C ATOM 450 CG LEU A 31 -4.952 5.814 5.405 1.00 0.00 C ATOM 451 CD1 LEU A 31 -4.625 6.065 3.941 1.00 0.00 C ATOM 452 CD2 LEU A 31 -4.657 7.051 6.240 1.00 0.00 C ATOM 0 H LEU A 31 -5.828 3.327 7.194 1.00 0.00 H new ATOM 0 HA LEU A 31 -6.902 6.066 7.548 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -6.581 4.497 4.971 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -7.043 6.179 5.137 1.00 0.00 H new ATOM 0 HG LEU A 31 -4.321 5.001 5.763 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.580 6.361 3.847 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -4.797 5.154 3.368 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -5.263 6.861 3.557 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -3.612 7.333 6.115 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -5.296 7.871 5.913 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -4.852 6.836 7.291 1.00 0.00 H new ATOM 464 N GLU A 32 -9.258 5.340 7.449 1.00 0.00 N ATOM 465 CA GLU A 32 -10.650 4.909 7.487 1.00 0.00 C ATOM 466 C GLU A 32 -11.342 5.188 6.156 1.00 0.00 C ATOM 467 O GLU A 32 -11.565 6.342 5.789 1.00 0.00 O ATOM 468 CB GLU A 32 -11.396 5.616 8.621 1.00 0.00 C ATOM 469 CG GLU A 32 -12.531 4.794 9.208 1.00 0.00 C ATOM 470 CD GLU A 32 -13.528 5.640 9.975 1.00 0.00 C ATOM 471 OE1 GLU A 32 -13.098 6.595 10.655 1.00 0.00 O ATOM 472 OE2 GLU A 32 -14.740 5.348 9.894 1.00 0.00 O ATOM 0 H GLU A 32 -9.098 6.280 7.810 1.00 0.00 H new ATOM 0 HA GLU A 32 -10.666 3.834 7.667 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -10.688 5.861 9.413 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -11.796 6.559 8.249 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -13.048 4.269 8.404 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -12.119 4.034 9.872 1.00 0.00 H new ATOM 479 N LYS A 33 -11.681 4.123 5.437 1.00 0.00 N ATOM 480 CA LYS A 33 -12.348 4.251 4.147 1.00 0.00 C ATOM 481 C LYS A 33 -13.342 5.408 4.161 1.00 0.00 C ATOM 482 O LYS A 33 -14.172 5.515 5.064 1.00 0.00 O ATOM 483 CB LYS A 33 -13.070 2.949 3.792 1.00 0.00 C ATOM 484 CG LYS A 33 -12.139 1.847 3.317 1.00 0.00 C ATOM 485 CD LYS A 33 -12.841 0.898 2.360 1.00 0.00 C ATOM 486 CE LYS A 33 -13.560 -0.215 3.106 1.00 0.00 C ATOM 487 NZ LYS A 33 -14.763 -0.690 2.368 1.00 0.00 N ATOM 0 H LYS A 33 -11.504 3.161 5.726 1.00 0.00 H new ATOM 0 HA LYS A 33 -11.589 4.456 3.392 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -13.619 2.598 4.666 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -13.806 3.152 3.014 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -11.273 2.288 2.823 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -11.766 1.289 4.176 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -13.557 1.454 1.755 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -12.112 0.466 1.674 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -12.876 -1.049 3.261 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -13.856 0.141 4.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -15.591 -0.658 2.997 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -14.930 -0.077 1.545 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -14.610 -1.667 2.046 1.00 0.00 H new ATOM 501 N ASP A 34 -13.253 6.271 3.155 1.00 0.00 N ATOM 502 CA ASP A 34 -14.146 7.419 3.050 1.00 0.00 C ATOM 503 C ASP A 34 -15.377 7.075 2.217 1.00 0.00 C ATOM 504 O ASP A 34 -15.519 5.952 1.734 1.00 0.00 O ATOM 505 CB ASP A 34 -13.411 8.609 2.431 1.00 0.00 C ATOM 506 CG ASP A 34 -14.047 9.936 2.797 1.00 0.00 C ATOM 507 OD1 ASP A 34 -14.136 10.238 4.006 1.00 0.00 O ATOM 508 OD2 ASP A 34 -14.455 10.672 1.875 1.00 0.00 O ATOM 0 H ASP A 34 -12.571 6.197 2.400 1.00 0.00 H new ATOM 0 HA ASP A 34 -14.473 7.687 4.055 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -12.373 8.603 2.762 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -13.400 8.501 1.346 1.00 0.00 H new ATOM 513 N LYS A 35 -16.264 8.050 2.053 1.00 0.00 N ATOM 514 CA LYS A 35 -17.484 7.853 1.278 1.00 0.00 C ATOM 515 C LYS A 35 -17.238 6.905 0.108 1.00 0.00 C ATOM 516 O LYS A 35 -18.033 6.003 -0.150 1.00 0.00 O ATOM 517 CB LYS A 35 -18.006 9.195 0.759 1.00 0.00 C ATOM 518 CG LYS A 35 -19.328 9.088 0.019 1.00 0.00 C ATOM 519 CD LYS A 35 -19.117 8.806 -1.460 1.00 0.00 C ATOM 520 CE LYS A 35 -20.406 8.978 -2.248 1.00 0.00 C ATOM 521 NZ LYS A 35 -20.215 8.681 -3.695 1.00 0.00 N ATOM 0 H LYS A 35 -16.161 8.985 2.447 1.00 0.00 H new ATOM 0 HA LYS A 35 -18.233 7.408 1.933 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -18.124 9.879 1.599 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -17.261 9.632 0.094 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -19.930 8.293 0.460 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -19.889 10.015 0.137 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -18.355 9.478 -1.855 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -18.743 7.790 -1.588 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -21.172 8.319 -1.840 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -20.769 9.999 -2.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -21.116 8.810 -4.198 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -19.502 9.327 -4.091 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -19.893 7.699 -3.808 1.00 0.00 H new ATOM 535 N ASN A 36 -16.130 7.115 -0.595 1.00 0.00 N ATOM 536 CA ASN A 36 -15.779 6.279 -1.737 1.00 0.00 C ATOM 537 C ASN A 36 -14.779 5.199 -1.333 1.00 0.00 C ATOM 538 O ASN A 36 -14.820 4.079 -1.841 1.00 0.00 O ATOM 539 CB ASN A 36 -15.195 7.135 -2.863 1.00 0.00 C ATOM 540 CG ASN A 36 -16.267 7.697 -3.776 1.00 0.00 C ATOM 541 OD1 ASN A 36 -16.446 8.912 -3.867 1.00 0.00 O ATOM 542 ND2 ASN A 36 -16.986 6.814 -4.459 1.00 0.00 N ATOM 0 H ASN A 36 -15.460 7.857 -0.394 1.00 0.00 H new ATOM 0 HA ASN A 36 -16.688 5.794 -2.093 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -14.622 7.956 -2.432 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -14.500 6.534 -3.450 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -17.721 7.134 -5.090 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -16.803 5.816 -4.353 1.00 0.00 H new ATOM 549 N GLY A 37 -13.882 5.545 -0.415 1.00 0.00 N ATOM 550 CA GLY A 37 -12.884 4.594 0.042 1.00 0.00 C ATOM 551 C GLY A 37 -11.471 5.126 -0.096 1.00 0.00 C ATOM 552 O GLY A 37 -11.268 6.318 -0.328 1.00 0.00 O ATOM 0 H GLY A 37 -13.828 6.466 0.020 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -13.075 4.345 1.086 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -12.979 3.670 -0.529 1.00 0.00 H new ATOM 556 N LEU A 38 -10.492 4.240 0.048 1.00 0.00 N ATOM 557 CA LEU A 38 -9.089 4.626 -0.060 1.00 0.00 C ATOM 558 C LEU A 38 -8.726 4.961 -1.503 1.00 0.00 C ATOM 559 O LEU A 38 -7.999 4.216 -2.160 1.00 0.00 O ATOM 560 CB LEU A 38 -8.189 3.503 0.457 1.00 0.00 C ATOM 561 CG LEU A 38 -8.572 2.906 1.812 1.00 0.00 C ATOM 562 CD1 LEU A 38 -7.679 1.721 2.144 1.00 0.00 C ATOM 563 CD2 LEU A 38 -8.487 3.963 2.904 1.00 0.00 C ATOM 0 H LEU A 38 -10.643 3.250 0.240 1.00 0.00 H new ATOM 0 HA LEU A 38 -8.935 5.516 0.550 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -8.181 2.701 -0.282 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -7.170 3.883 0.525 1.00 0.00 H new ATOM 0 HG LEU A 38 -9.602 2.554 1.755 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -7.966 1.309 3.111 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -7.790 0.955 1.376 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -6.640 2.048 2.183 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -8.763 3.520 3.861 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -7.468 4.346 2.961 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -9.169 4.781 2.672 1.00 0.00 H new ATOM 575 N GLY A 39 -9.236 6.088 -1.991 1.00 0.00 N ATOM 576 CA GLY A 39 -8.953 6.502 -3.352 1.00 0.00 C ATOM 577 C GLY A 39 -7.467 6.629 -3.622 1.00 0.00 C ATOM 578 O GLY A 39 -6.864 7.667 -3.344 1.00 0.00 O ATOM 0 H GLY A 39 -9.840 6.721 -1.467 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -9.385 5.780 -4.045 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -9.437 7.459 -3.546 1.00 0.00 H new ATOM 582 N LEU A 40 -6.873 5.572 -4.164 1.00 0.00 N ATOM 583 CA LEU A 40 -5.447 5.568 -4.471 1.00 0.00 C ATOM 584 C LEU A 40 -5.189 4.988 -5.858 1.00 0.00 C ATOM 585 O LEU A 40 -5.828 4.017 -6.264 1.00 0.00 O ATOM 586 CB LEU A 40 -4.681 4.764 -3.419 1.00 0.00 C ATOM 587 CG LEU A 40 -4.649 5.360 -2.011 1.00 0.00 C ATOM 588 CD1 LEU A 40 -4.534 4.260 -0.968 1.00 0.00 C ATOM 589 CD2 LEU A 40 -3.499 6.348 -1.876 1.00 0.00 C ATOM 0 H LEU A 40 -7.357 4.706 -4.400 1.00 0.00 H new ATOM 0 HA LEU A 40 -5.095 6.600 -4.458 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -5.121 3.768 -3.361 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -3.654 4.639 -3.763 1.00 0.00 H new ATOM 0 HG LEU A 40 -5.583 5.895 -1.843 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -4.513 4.703 0.028 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -5.391 3.591 -1.049 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -3.616 3.696 -1.134 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -3.492 6.762 -0.868 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -2.555 5.836 -2.065 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -3.625 7.154 -2.599 1.00 0.00 H new ATOM 601 N SER A 41 -4.248 5.588 -6.579 1.00 0.00 N ATOM 602 CA SER A 41 -3.906 5.132 -7.921 1.00 0.00 C ATOM 603 C SER A 41 -2.760 4.127 -7.878 1.00 0.00 C ATOM 604 O SER A 41 -1.635 4.466 -7.507 1.00 0.00 O ATOM 605 CB SER A 41 -3.525 6.321 -8.805 1.00 0.00 C ATOM 606 OG SER A 41 -4.580 7.264 -8.876 1.00 0.00 O ATOM 0 H SER A 41 -3.709 6.391 -6.256 1.00 0.00 H new ATOM 0 HA SER A 41 -4.781 4.640 -8.345 1.00 0.00 H new ATOM 0 HB2 SER A 41 -2.630 6.801 -8.408 1.00 0.00 H new ATOM 0 HB3 SER A 41 -3.280 5.969 -9.807 1.00 0.00 H new ATOM 0 HG SER A 41 -4.310 8.015 -9.445 1.00 0.00 H new ATOM 612 N LEU A 42 -3.052 2.889 -8.260 1.00 0.00 N ATOM 613 CA LEU A 42 -2.046 1.832 -8.265 1.00 0.00 C ATOM 614 C LEU A 42 -1.555 1.555 -9.683 1.00 0.00 C ATOM 615 O LEU A 42 -2.299 1.715 -10.650 1.00 0.00 O ATOM 616 CB LEU A 42 -2.619 0.553 -7.653 1.00 0.00 C ATOM 617 CG LEU A 42 -3.323 0.711 -6.304 1.00 0.00 C ATOM 618 CD1 LEU A 42 -3.894 -0.621 -5.841 1.00 0.00 C ATOM 619 CD2 LEU A 42 -2.364 1.273 -5.265 1.00 0.00 C ATOM 0 H LEU A 42 -3.977 2.592 -8.570 1.00 0.00 H new ATOM 0 HA LEU A 42 -1.199 2.167 -7.666 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -3.326 0.121 -8.361 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -1.807 -0.165 -7.535 1.00 0.00 H new ATOM 0 HG LEU A 42 -4.147 1.414 -6.426 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -4.391 -0.489 -4.880 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -4.614 -0.983 -6.575 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -3.087 -1.346 -5.736 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -2.882 1.379 -4.312 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -1.519 0.595 -5.146 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -2.004 2.248 -5.592 1.00 0.00 H new ATOM 631 N ALA A 43 -0.299 1.137 -9.797 1.00 0.00 N ATOM 632 CA ALA A 43 0.290 0.833 -11.095 1.00 0.00 C ATOM 633 C ALA A 43 1.374 -0.232 -10.971 1.00 0.00 C ATOM 634 O ALA A 43 2.401 -0.015 -10.329 1.00 0.00 O ATOM 635 CB ALA A 43 0.858 2.096 -11.725 1.00 0.00 C ATOM 0 H ALA A 43 0.330 1.001 -9.006 1.00 0.00 H new ATOM 0 HA ALA A 43 -0.496 0.440 -11.740 1.00 0.00 H new ATOM 0 HB1 ALA A 43 1.295 1.854 -12.694 1.00 0.00 H new ATOM 0 HB2 ALA A 43 0.060 2.826 -11.859 1.00 0.00 H new ATOM 0 HB3 ALA A 43 1.627 2.513 -11.074 1.00 0.00 H new ATOM 641 N GLY A 44 1.138 -1.386 -11.589 1.00 0.00 N ATOM 642 CA GLY A 44 2.103 -2.468 -11.534 1.00 0.00 C ATOM 643 C GLY A 44 3.503 -2.016 -11.900 1.00 0.00 C ATOM 644 O GLY A 44 3.676 -1.098 -12.700 1.00 0.00 O ATOM 0 H GLY A 44 0.296 -1.590 -12.127 1.00 0.00 H new ATOM 0 HA2 GLY A 44 2.112 -2.892 -10.530 1.00 0.00 H new ATOM 0 HA3 GLY A 44 1.792 -3.263 -12.212 1.00 0.00 H new ATOM 648 N ASN A 45 4.504 -2.660 -11.310 1.00 0.00 N ATOM 649 CA ASN A 45 5.896 -2.317 -11.577 1.00 0.00 C ATOM 650 C ASN A 45 6.147 -2.187 -13.076 1.00 0.00 C ATOM 651 O ASN A 45 5.705 -3.022 -13.866 1.00 0.00 O ATOM 652 CB ASN A 45 6.827 -3.377 -10.984 1.00 0.00 C ATOM 653 CG ASN A 45 8.291 -3.023 -11.159 1.00 0.00 C ATOM 654 OD1 ASN A 45 8.752 -2.774 -12.273 1.00 0.00 O ATOM 655 ND2 ASN A 45 9.031 -3.001 -10.056 1.00 0.00 N ATOM 0 H ASN A 45 4.378 -3.422 -10.644 1.00 0.00 H new ATOM 0 HA ASN A 45 6.103 -1.356 -11.107 1.00 0.00 H new ATOM 0 HB2 ASN A 45 6.609 -3.495 -9.923 1.00 0.00 H new ATOM 0 HB3 ASN A 45 6.629 -4.338 -11.459 1.00 0.00 H new ATOM 0 HD21 ASN A 45 10.023 -2.771 -10.112 1.00 0.00 H new ATOM 0 HD22 ASN A 45 8.607 -3.214 -9.153 1.00 0.00 H new ATOM 662 N LYS A 46 6.859 -1.134 -13.462 1.00 0.00 N ATOM 663 CA LYS A 46 7.171 -0.893 -14.866 1.00 0.00 C ATOM 664 C LYS A 46 7.385 -2.208 -15.609 1.00 0.00 C ATOM 665 O LYS A 46 6.968 -2.357 -16.758 1.00 0.00 O ATOM 666 CB LYS A 46 8.420 -0.017 -14.989 1.00 0.00 C ATOM 667 CG LYS A 46 8.176 1.441 -14.642 1.00 0.00 C ATOM 668 CD LYS A 46 9.479 2.176 -14.372 1.00 0.00 C ATOM 669 CE LYS A 46 9.361 3.657 -14.697 1.00 0.00 C ATOM 670 NZ LYS A 46 8.147 4.264 -14.084 1.00 0.00 N ATOM 0 H LYS A 46 7.231 -0.433 -12.822 1.00 0.00 H new ATOM 0 HA LYS A 46 6.325 -0.374 -15.317 1.00 0.00 H new ATOM 0 HB2 LYS A 46 9.197 -0.412 -14.335 1.00 0.00 H new ATOM 0 HB3 LYS A 46 8.799 -0.081 -16.009 1.00 0.00 H new ATOM 0 HG2 LYS A 46 7.646 1.927 -15.461 1.00 0.00 H new ATOM 0 HG3 LYS A 46 7.533 1.504 -13.764 1.00 0.00 H new ATOM 0 HD2 LYS A 46 9.757 2.053 -13.325 1.00 0.00 H new ATOM 0 HD3 LYS A 46 10.278 1.734 -14.968 1.00 0.00 H new ATOM 0 HE2 LYS A 46 10.248 4.179 -14.339 1.00 0.00 H new ATOM 0 HE3 LYS A 46 9.327 3.790 -15.778 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 8.350 5.247 -13.812 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 7.367 4.249 -14.771 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 7.876 3.720 -13.240 1.00 0.00 H new ATOM 684 N ASP A 47 8.034 -3.158 -14.946 1.00 0.00 N ATOM 685 CA ASP A 47 8.301 -4.462 -15.543 1.00 0.00 C ATOM 686 C ASP A 47 7.219 -5.467 -15.159 1.00 0.00 C ATOM 687 O ASP A 47 7.182 -5.951 -14.027 1.00 0.00 O ATOM 688 CB ASP A 47 9.672 -4.977 -15.104 1.00 0.00 C ATOM 689 CG ASP A 47 10.296 -5.907 -16.127 1.00 0.00 C ATOM 690 OD1 ASP A 47 9.945 -7.105 -16.131 1.00 0.00 O ATOM 691 OD2 ASP A 47 11.135 -5.436 -16.923 1.00 0.00 O ATOM 0 H ASP A 47 8.385 -3.050 -13.995 1.00 0.00 H new ATOM 0 HA ASP A 47 8.296 -4.346 -16.627 1.00 0.00 H new ATOM 0 HB2 ASP A 47 10.337 -4.131 -14.933 1.00 0.00 H new ATOM 0 HB3 ASP A 47 9.573 -5.501 -14.154 1.00 0.00 H new ATOM 696 N ARG A 48 6.340 -5.774 -16.107 1.00 0.00 N ATOM 697 CA ARG A 48 5.256 -6.719 -15.866 1.00 0.00 C ATOM 698 C ARG A 48 5.783 -7.996 -15.217 1.00 0.00 C ATOM 699 O ARG A 48 5.136 -8.571 -14.342 1.00 0.00 O ATOM 700 CB ARG A 48 4.545 -7.057 -17.178 1.00 0.00 C ATOM 701 CG ARG A 48 3.389 -8.029 -17.011 1.00 0.00 C ATOM 702 CD ARG A 48 3.022 -8.689 -18.331 1.00 0.00 C ATOM 703 NE ARG A 48 1.763 -9.425 -18.243 1.00 0.00 N ATOM 704 CZ ARG A 48 0.577 -8.840 -18.123 1.00 0.00 C ATOM 705 NH1 ARG A 48 0.488 -7.518 -18.076 1.00 0.00 N ATOM 706 NH2 ARG A 48 -0.524 -9.578 -18.049 1.00 0.00 N ATOM 0 H ARG A 48 6.357 -5.382 -17.049 1.00 0.00 H new ATOM 0 HA ARG A 48 4.545 -6.252 -15.185 1.00 0.00 H new ATOM 0 HB2 ARG A 48 4.173 -6.136 -17.627 1.00 0.00 H new ATOM 0 HB3 ARG A 48 5.268 -7.482 -17.874 1.00 0.00 H new ATOM 0 HG2 ARG A 48 3.658 -8.794 -16.283 1.00 0.00 H new ATOM 0 HG3 ARG A 48 2.522 -7.501 -16.614 1.00 0.00 H new ATOM 0 HD2 ARG A 48 2.944 -7.928 -19.107 1.00 0.00 H new ATOM 0 HD3 ARG A 48 3.819 -9.369 -18.630 1.00 0.00 H new ATOM 0 HE ARG A 48 1.797 -10.444 -18.276 1.00 0.00 H new ATOM 0 HH11 ARG A 48 1.332 -6.948 -18.132 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -0.424 -7.071 -17.984 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -0.459 -10.595 -18.084 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -1.435 -9.128 -17.957 1.00 0.00 H new ATOM 720 N SER A 49 6.960 -8.434 -15.654 1.00 0.00 N ATOM 721 CA SER A 49 7.571 -9.645 -15.119 1.00 0.00 C ATOM 722 C SER A 49 7.594 -9.613 -13.593 1.00 0.00 C ATOM 723 O SER A 49 7.499 -10.651 -12.939 1.00 0.00 O ATOM 724 CB SER A 49 8.993 -9.805 -15.659 1.00 0.00 C ATOM 725 OG SER A 49 9.494 -11.105 -15.398 1.00 0.00 O ATOM 0 H SER A 49 7.509 -7.968 -16.377 1.00 0.00 H new ATOM 0 HA SER A 49 6.971 -10.497 -15.438 1.00 0.00 H new ATOM 0 HB2 SER A 49 9.001 -9.618 -16.733 1.00 0.00 H new ATOM 0 HB3 SER A 49 9.645 -9.062 -15.201 1.00 0.00 H new ATOM 0 HG SER A 49 10.404 -11.183 -15.754 1.00 0.00 H new ATOM 731 N ARG A 50 7.722 -8.414 -13.035 1.00 0.00 N ATOM 732 CA ARG A 50 7.760 -8.246 -11.587 1.00 0.00 C ATOM 733 C ARG A 50 6.351 -8.102 -11.020 1.00 0.00 C ATOM 734 O ARG A 50 5.438 -7.648 -11.708 1.00 0.00 O ATOM 735 CB ARG A 50 8.599 -7.022 -11.216 1.00 0.00 C ATOM 736 CG ARG A 50 10.086 -7.202 -11.470 1.00 0.00 C ATOM 737 CD ARG A 50 10.920 -6.333 -10.543 1.00 0.00 C ATOM 738 NE ARG A 50 11.257 -7.023 -9.301 1.00 0.00 N ATOM 739 CZ ARG A 50 12.174 -6.588 -8.444 1.00 0.00 C ATOM 740 NH1 ARG A 50 12.841 -5.470 -8.692 1.00 0.00 N ATOM 741 NH2 ARG A 50 12.425 -7.273 -7.335 1.00 0.00 N ATOM 0 H ARG A 50 7.801 -7.545 -13.563 1.00 0.00 H new ATOM 0 HA ARG A 50 8.218 -9.136 -11.155 1.00 0.00 H new ATOM 0 HB2 ARG A 50 8.244 -6.163 -11.785 1.00 0.00 H new ATOM 0 HB3 ARG A 50 8.445 -6.792 -10.162 1.00 0.00 H new ATOM 0 HG2 ARG A 50 10.356 -8.249 -11.329 1.00 0.00 H new ATOM 0 HG3 ARG A 50 10.312 -6.951 -12.506 1.00 0.00 H new ATOM 0 HD2 ARG A 50 11.837 -6.035 -11.052 1.00 0.00 H new ATOM 0 HD3 ARG A 50 10.372 -5.419 -10.313 1.00 0.00 H new ATOM 0 HE ARG A 50 10.761 -7.886 -9.079 1.00 0.00 H new ATOM 0 HH11 ARG A 50 12.651 -4.941 -9.543 1.00 0.00 H new ATOM 0 HH12 ARG A 50 13.544 -5.139 -8.032 1.00 0.00 H new ATOM 0 HH21 ARG A 50 11.914 -8.134 -7.141 1.00 0.00 H new ATOM 0 HH22 ARG A 50 13.129 -6.938 -6.677 1.00 0.00 H new ATOM 755 N MET A 51 6.183 -8.491 -9.760 1.00 0.00 N ATOM 756 CA MET A 51 4.885 -8.404 -9.100 1.00 0.00 C ATOM 757 C MET A 51 4.953 -7.481 -7.888 1.00 0.00 C ATOM 758 O MET A 51 5.335 -7.902 -6.796 1.00 0.00 O ATOM 759 CB MET A 51 4.413 -9.795 -8.672 1.00 0.00 C ATOM 760 CG MET A 51 2.902 -9.917 -8.565 1.00 0.00 C ATOM 761 SD MET A 51 2.128 -10.356 -10.133 1.00 0.00 S ATOM 762 CE MET A 51 1.627 -8.741 -10.726 1.00 0.00 C ATOM 0 H MET A 51 6.929 -8.869 -9.176 1.00 0.00 H new ATOM 0 HA MET A 51 4.170 -7.989 -9.810 1.00 0.00 H new ATOM 0 HB2 MET A 51 4.779 -10.530 -9.389 1.00 0.00 H new ATOM 0 HB3 MET A 51 4.858 -10.040 -7.708 1.00 0.00 H new ATOM 0 HG2 MET A 51 2.654 -10.671 -7.818 1.00 0.00 H new ATOM 0 HG3 MET A 51 2.489 -8.972 -8.212 1.00 0.00 H new ATOM 0 HE1 MET A 51 0.684 -8.828 -11.265 1.00 0.00 H new ATOM 0 HE2 MET A 51 1.500 -8.066 -9.880 1.00 0.00 H new ATOM 0 HE3 MET A 51 2.392 -8.345 -11.394 1.00 0.00 H new ATOM 772 N SER A 52 4.580 -6.221 -8.087 1.00 0.00 N ATOM 773 CA SER A 52 4.602 -5.237 -7.011 1.00 0.00 C ATOM 774 C SER A 52 3.605 -4.114 -7.281 1.00 0.00 C ATOM 775 O SER A 52 3.364 -3.747 -8.431 1.00 0.00 O ATOM 776 CB SER A 52 6.009 -4.658 -6.850 1.00 0.00 C ATOM 777 OG SER A 52 6.777 -5.430 -5.942 1.00 0.00 O ATOM 0 H SER A 52 4.259 -5.857 -8.984 1.00 0.00 H new ATOM 0 HA SER A 52 4.315 -5.739 -6.087 1.00 0.00 H new ATOM 0 HB2 SER A 52 6.507 -4.629 -7.819 1.00 0.00 H new ATOM 0 HB3 SER A 52 5.944 -3.630 -6.494 1.00 0.00 H new ATOM 0 HG SER A 52 6.493 -6.367 -5.988 1.00 0.00 H new ATOM 783 N ILE A 53 3.030 -3.574 -6.212 1.00 0.00 N ATOM 784 CA ILE A 53 2.060 -2.492 -6.333 1.00 0.00 C ATOM 785 C ILE A 53 2.608 -1.194 -5.748 1.00 0.00 C ATOM 786 O ILE A 53 3.277 -1.200 -4.715 1.00 0.00 O ATOM 787 CB ILE A 53 0.737 -2.841 -5.626 1.00 0.00 C ATOM 788 CG1 ILE A 53 0.122 -4.100 -6.240 1.00 0.00 C ATOM 789 CG2 ILE A 53 -0.235 -1.674 -5.716 1.00 0.00 C ATOM 790 CD1 ILE A 53 -0.703 -4.908 -5.263 1.00 0.00 C ATOM 0 H ILE A 53 3.218 -3.867 -5.253 1.00 0.00 H new ATOM 0 HA ILE A 53 1.870 -2.356 -7.398 1.00 0.00 H new ATOM 0 HB ILE A 53 0.945 -3.036 -4.574 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -0.506 -3.813 -7.083 1.00 0.00 H new ATOM 0 HG13 ILE A 53 0.920 -4.728 -6.636 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -1.165 -1.936 -5.212 1.00 0.00 H new ATOM 0 HG22 ILE A 53 0.203 -0.798 -5.238 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -0.440 -1.451 -6.763 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -1.108 -5.786 -5.767 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -0.074 -5.225 -4.431 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -1.522 -4.296 -4.886 1.00 0.00 H new ATOM 802 N PHE A 54 2.320 -0.082 -6.416 1.00 0.00 N ATOM 803 CA PHE A 54 2.783 1.224 -5.963 1.00 0.00 C ATOM 804 C PHE A 54 1.646 2.241 -5.984 1.00 0.00 C ATOM 805 O PHE A 54 0.509 1.912 -6.322 1.00 0.00 O ATOM 806 CB PHE A 54 3.937 1.712 -6.841 1.00 0.00 C ATOM 807 CG PHE A 54 5.104 0.768 -6.878 1.00 0.00 C ATOM 808 CD1 PHE A 54 6.131 0.879 -5.955 1.00 0.00 C ATOM 809 CD2 PHE A 54 5.174 -0.231 -7.836 1.00 0.00 C ATOM 810 CE1 PHE A 54 7.206 0.011 -5.986 1.00 0.00 C ATOM 811 CE2 PHE A 54 6.246 -1.102 -7.871 1.00 0.00 C ATOM 812 CZ PHE A 54 7.265 -0.980 -6.946 1.00 0.00 C ATOM 0 H PHE A 54 1.768 -0.059 -7.273 1.00 0.00 H new ATOM 0 HA PHE A 54 3.136 1.122 -4.937 1.00 0.00 H new ATOM 0 HB2 PHE A 54 3.571 1.864 -7.856 1.00 0.00 H new ATOM 0 HB3 PHE A 54 4.276 2.681 -6.476 1.00 0.00 H new ATOM 0 HD1 PHE A 54 6.091 1.653 -5.203 1.00 0.00 H new ATOM 0 HD2 PHE A 54 4.382 -0.330 -8.563 1.00 0.00 H new ATOM 0 HE1 PHE A 54 8.000 0.108 -5.260 1.00 0.00 H new ATOM 0 HE2 PHE A 54 6.287 -1.878 -8.621 1.00 0.00 H new ATOM 0 HZ PHE A 54 8.105 -1.658 -6.974 1.00 0.00 H new ATOM 822 N VAL A 55 1.962 3.481 -5.620 1.00 0.00 N ATOM 823 CA VAL A 55 0.969 4.547 -5.598 1.00 0.00 C ATOM 824 C VAL A 55 1.379 5.700 -6.508 1.00 0.00 C ATOM 825 O VAL A 55 2.107 6.602 -6.095 1.00 0.00 O ATOM 826 CB VAL A 55 0.756 5.086 -4.171 1.00 0.00 C ATOM 827 CG1 VAL A 55 -0.242 6.234 -4.176 1.00 0.00 C ATOM 828 CG2 VAL A 55 0.294 3.971 -3.244 1.00 0.00 C ATOM 0 H VAL A 55 2.898 3.771 -5.337 1.00 0.00 H new ATOM 0 HA VAL A 55 0.035 4.117 -5.960 1.00 0.00 H new ATOM 0 HB VAL A 55 1.708 5.466 -3.799 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -0.379 6.601 -3.159 1.00 0.00 H new ATOM 0 HG12 VAL A 55 0.134 7.040 -4.805 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -1.197 5.884 -4.567 1.00 0.00 H new ATOM 0 HG21 VAL A 55 0.148 4.369 -2.240 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -0.646 3.559 -3.611 1.00 0.00 H new ATOM 0 HG23 VAL A 55 1.048 3.185 -3.216 1.00 0.00 H new ATOM 838 N VAL A 56 0.906 5.663 -7.750 1.00 0.00 N ATOM 839 CA VAL A 56 1.222 6.705 -8.720 1.00 0.00 C ATOM 840 C VAL A 56 0.231 7.860 -8.627 1.00 0.00 C ATOM 841 O VAL A 56 0.168 8.709 -9.515 1.00 0.00 O ATOM 842 CB VAL A 56 1.218 6.153 -10.158 1.00 0.00 C ATOM 843 CG1 VAL A 56 2.055 4.886 -10.246 1.00 0.00 C ATOM 844 CG2 VAL A 56 -0.206 5.895 -10.625 1.00 0.00 C ATOM 0 H VAL A 56 0.303 4.923 -8.108 1.00 0.00 H new ATOM 0 HA VAL A 56 2.222 7.068 -8.481 1.00 0.00 H new ATOM 0 HB VAL A 56 1.662 6.899 -10.817 1.00 0.00 H new ATOM 0 HG11 VAL A 56 2.040 4.511 -11.269 1.00 0.00 H new ATOM 0 HG12 VAL A 56 3.082 5.107 -9.955 1.00 0.00 H new ATOM 0 HG13 VAL A 56 1.643 4.131 -9.577 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -0.190 5.505 -11.643 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -0.679 5.168 -9.965 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -0.771 6.827 -10.602 1.00 0.00 H new ATOM 854 N GLY A 57 -0.541 7.885 -7.546 1.00 0.00 N ATOM 855 CA GLY A 57 -1.519 8.941 -7.357 1.00 0.00 C ATOM 856 C GLY A 57 -2.334 8.757 -6.092 1.00 0.00 C ATOM 857 O GLY A 57 -2.545 7.631 -5.640 1.00 0.00 O ATOM 0 H GLY A 57 -0.507 7.193 -6.797 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -1.008 9.903 -7.319 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -2.189 8.969 -8.216 1.00 0.00 H new ATOM 861 N ILE A 58 -2.791 9.864 -5.518 1.00 0.00 N ATOM 862 CA ILE A 58 -3.587 9.820 -4.298 1.00 0.00 C ATOM 863 C ILE A 58 -4.804 10.733 -4.401 1.00 0.00 C ATOM 864 O ILE A 58 -4.704 11.942 -4.198 1.00 0.00 O ATOM 865 CB ILE A 58 -2.754 10.229 -3.068 1.00 0.00 C ATOM 866 CG1 ILE A 58 -1.583 9.264 -2.874 1.00 0.00 C ATOM 867 CG2 ILE A 58 -3.630 10.265 -1.824 1.00 0.00 C ATOM 868 CD1 ILE A 58 -0.624 9.690 -1.784 1.00 0.00 C ATOM 0 H ILE A 58 -2.624 10.803 -5.878 1.00 0.00 H new ATOM 0 HA ILE A 58 -3.920 8.789 -4.175 1.00 0.00 H new ATOM 0 HB ILE A 58 -2.352 11.228 -3.235 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -1.974 8.274 -2.637 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -1.037 9.175 -3.813 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -3.028 10.555 -0.963 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -4.433 10.988 -1.965 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -4.057 9.277 -1.651 1.00 0.00 H new ATOM 0 HD11 ILE A 58 0.181 8.960 -1.702 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -0.205 10.666 -2.029 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -1.156 9.752 -0.835 1.00 0.00 H new ATOM 880 N ASN A 59 -5.953 10.144 -4.715 1.00 0.00 N ATOM 881 CA ASN A 59 -7.191 10.905 -4.844 1.00 0.00 C ATOM 882 C ASN A 59 -7.280 11.985 -3.770 1.00 0.00 C ATOM 883 O ASN A 59 -7.222 11.709 -2.571 1.00 0.00 O ATOM 884 CB ASN A 59 -8.400 9.971 -4.746 1.00 0.00 C ATOM 885 CG ASN A 59 -9.585 10.476 -5.546 1.00 0.00 C ATOM 886 OD1 ASN A 59 -9.994 11.629 -5.411 1.00 0.00 O ATOM 887 ND2 ASN A 59 -10.145 9.611 -6.384 1.00 0.00 N ATOM 0 H ASN A 59 -6.053 9.143 -4.885 1.00 0.00 H new ATOM 0 HA ASN A 59 -7.192 11.389 -5.821 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -8.120 8.980 -5.102 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -8.690 9.864 -3.701 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -10.947 9.893 -6.948 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -9.773 8.665 -6.464 1.00 0.00 H new ATOM 894 N PRO A 60 -7.425 13.244 -4.208 1.00 0.00 N ATOM 895 CA PRO A 60 -7.527 14.391 -3.301 1.00 0.00 C ATOM 896 C PRO A 60 -8.841 14.404 -2.528 1.00 0.00 C ATOM 897 O PRO A 60 -9.014 15.186 -1.593 1.00 0.00 O ATOM 898 CB PRO A 60 -7.448 15.596 -4.242 1.00 0.00 C ATOM 899 CG PRO A 60 -7.934 15.084 -5.554 1.00 0.00 C ATOM 900 CD PRO A 60 -7.502 13.645 -5.623 1.00 0.00 C ATOM 0 HA PRO A 60 -6.749 14.377 -2.538 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -8.067 16.419 -3.884 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -6.428 15.973 -4.317 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -9.018 15.170 -5.629 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -7.511 15.658 -6.378 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -8.218 13.036 -6.175 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -6.540 13.538 -6.124 1.00 0.00 H new ATOM 908 N GLU A 61 -9.764 13.534 -2.925 1.00 0.00 N ATOM 909 CA GLU A 61 -11.064 13.447 -2.268 1.00 0.00 C ATOM 910 C GLU A 61 -11.130 12.228 -1.352 1.00 0.00 C ATOM 911 O GLU A 61 -12.085 12.058 -0.595 1.00 0.00 O ATOM 912 CB GLU A 61 -12.183 13.378 -3.309 1.00 0.00 C ATOM 913 CG GLU A 61 -12.197 14.558 -4.267 1.00 0.00 C ATOM 914 CD GLU A 61 -13.016 15.722 -3.745 1.00 0.00 C ATOM 915 OE1 GLU A 61 -14.253 15.702 -3.916 1.00 0.00 O ATOM 916 OE2 GLU A 61 -12.420 16.654 -3.165 1.00 0.00 O ATOM 0 H GLU A 61 -9.637 12.880 -3.697 1.00 0.00 H new ATOM 0 HA GLU A 61 -11.197 14.343 -1.662 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -12.078 12.457 -3.882 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -13.143 13.326 -2.795 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -11.174 14.889 -4.445 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -12.600 14.237 -5.228 1.00 0.00 H new ATOM 923 N GLY A 62 -10.108 11.381 -1.428 1.00 0.00 N ATOM 924 CA GLY A 62 -10.069 10.189 -0.602 1.00 0.00 C ATOM 925 C GLY A 62 -9.421 10.437 0.745 1.00 0.00 C ATOM 926 O GLY A 62 -8.979 11.545 1.050 1.00 0.00 O ATOM 0 H GLY A 62 -9.306 11.499 -2.047 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -11.084 9.822 -0.451 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -9.522 9.406 -1.126 1.00 0.00 H new ATOM 930 N PRO A 63 -9.361 9.389 1.579 1.00 0.00 N ATOM 931 CA PRO A 63 -8.765 9.474 2.916 1.00 0.00 C ATOM 932 C PRO A 63 -7.251 9.647 2.866 1.00 0.00 C ATOM 933 O PRO A 63 -6.697 10.539 3.508 1.00 0.00 O ATOM 934 CB PRO A 63 -9.129 8.131 3.553 1.00 0.00 C ATOM 935 CG PRO A 63 -9.314 7.204 2.402 1.00 0.00 C ATOM 936 CD PRO A 63 -9.868 8.039 1.282 1.00 0.00 C ATOM 0 HA PRO A 63 -9.131 10.338 3.471 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -8.340 7.782 4.219 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -10.038 8.209 4.149 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -8.368 6.745 2.115 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -9.997 6.394 2.659 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -9.524 7.686 0.310 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -10.958 8.014 1.263 1.00 0.00 H new ATOM 944 N ALA A 64 -6.587 8.789 2.099 1.00 0.00 N ATOM 945 CA ALA A 64 -5.137 8.848 1.963 1.00 0.00 C ATOM 946 C ALA A 64 -4.663 10.284 1.763 1.00 0.00 C ATOM 947 O ALA A 64 -3.674 10.710 2.359 1.00 0.00 O ATOM 948 CB ALA A 64 -4.678 7.972 0.807 1.00 0.00 C ATOM 0 H ALA A 64 -7.031 8.044 1.562 1.00 0.00 H new ATOM 0 HA ALA A 64 -4.695 8.472 2.886 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -3.593 8.026 0.718 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -4.976 6.940 0.992 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -5.136 8.321 -0.118 1.00 0.00 H new ATOM 954 N ALA A 65 -5.374 11.024 0.919 1.00 0.00 N ATOM 955 CA ALA A 65 -5.026 12.412 0.641 1.00 0.00 C ATOM 956 C ALA A 65 -5.191 13.279 1.884 1.00 0.00 C ATOM 957 O ALA A 65 -4.360 14.141 2.166 1.00 0.00 O ATOM 958 CB ALA A 65 -5.878 12.952 -0.498 1.00 0.00 C ATOM 0 H ALA A 65 -6.194 10.686 0.416 1.00 0.00 H new ATOM 0 HA ALA A 65 -3.978 12.445 0.343 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -5.607 13.989 -0.695 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -5.707 12.356 -1.395 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -6.931 12.898 -0.222 1.00 0.00 H new ATOM 964 N ALA A 66 -6.270 13.045 2.624 1.00 0.00 N ATOM 965 CA ALA A 66 -6.543 13.804 3.838 1.00 0.00 C ATOM 966 C ALA A 66 -5.518 13.491 4.923 1.00 0.00 C ATOM 967 O ALA A 66 -5.151 14.362 5.712 1.00 0.00 O ATOM 968 CB ALA A 66 -7.950 13.511 4.338 1.00 0.00 C ATOM 0 H ALA A 66 -6.969 12.336 2.404 1.00 0.00 H new ATOM 0 HA ALA A 66 -6.468 14.865 3.599 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -8.141 14.084 5.245 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -8.674 13.791 3.573 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -8.045 12.447 4.555 1.00 0.00 H new ATOM 974 N ASP A 67 -5.062 12.244 4.957 1.00 0.00 N ATOM 975 CA ASP A 67 -4.078 11.817 5.946 1.00 0.00 C ATOM 976 C ASP A 67 -2.726 12.475 5.687 1.00 0.00 C ATOM 977 O ASP A 67 -2.081 12.974 6.608 1.00 0.00 O ATOM 978 CB ASP A 67 -3.931 10.295 5.925 1.00 0.00 C ATOM 979 CG ASP A 67 -3.501 9.737 7.268 1.00 0.00 C ATOM 980 OD1 ASP A 67 -4.067 10.162 8.296 1.00 0.00 O ATOM 981 OD2 ASP A 67 -2.599 8.874 7.290 1.00 0.00 O ATOM 0 H ASP A 67 -5.357 11.511 4.312 1.00 0.00 H new ATOM 0 HA ASP A 67 -4.430 12.127 6.930 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -4.880 9.845 5.635 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -3.200 10.014 5.167 1.00 0.00 H new ATOM 986 N GLY A 68 -2.303 12.472 4.427 1.00 0.00 N ATOM 987 CA GLY A 68 -1.030 13.070 4.070 1.00 0.00 C ATOM 988 C GLY A 68 0.133 12.119 4.268 1.00 0.00 C ATOM 989 O GLY A 68 1.200 12.301 3.681 1.00 0.00 O ATOM 0 H GLY A 68 -2.819 12.066 3.647 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -1.061 13.389 3.028 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -0.871 13.964 4.672 1.00 0.00 H new ATOM 993 N ARG A 69 -0.071 11.102 5.100 1.00 0.00 N ATOM 994 CA ARG A 69 0.971 10.120 5.376 1.00 0.00 C ATOM 995 C ARG A 69 1.391 9.399 4.099 1.00 0.00 C ATOM 996 O ARG A 69 2.579 9.186 3.857 1.00 0.00 O ATOM 997 CB ARG A 69 0.483 9.105 6.411 1.00 0.00 C ATOM 998 CG ARG A 69 -0.078 9.741 7.672 1.00 0.00 C ATOM 999 CD ARG A 69 0.943 10.652 8.337 1.00 0.00 C ATOM 1000 NE ARG A 69 2.207 9.966 8.588 1.00 0.00 N ATOM 1001 CZ ARG A 69 3.160 10.447 9.378 1.00 0.00 C ATOM 1002 NH1 ARG A 69 2.993 11.610 9.992 1.00 0.00 N ATOM 1003 NH2 ARG A 69 4.284 9.763 9.556 1.00 0.00 N ATOM 0 H ARG A 69 -0.948 10.937 5.594 1.00 0.00 H new ATOM 0 HA ARG A 69 1.837 10.648 5.775 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -0.285 8.478 5.958 1.00 0.00 H new ATOM 0 HB3 ARG A 69 1.310 8.449 6.682 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -0.972 10.313 7.425 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -0.381 8.961 8.371 1.00 0.00 H new ATOM 0 HD2 ARG A 69 1.122 11.520 7.703 1.00 0.00 H new ATOM 0 HD3 ARG A 69 0.539 11.023 9.279 1.00 0.00 H new ATOM 0 HE ARG A 69 2.367 9.068 8.132 1.00 0.00 H new ATOM 0 HH11 ARG A 69 2.131 12.138 9.858 1.00 0.00 H new ATOM 0 HH12 ARG A 69 3.727 11.977 10.598 1.00 0.00 H new ATOM 0 HH21 ARG A 69 4.416 8.868 9.086 1.00 0.00 H new ATOM 0 HH22 ARG A 69 5.016 10.133 10.163 1.00 0.00 H new ATOM 1017 N MET A 70 0.409 9.026 3.286 1.00 0.00 N ATOM 1018 CA MET A 70 0.678 8.329 2.033 1.00 0.00 C ATOM 1019 C MET A 70 1.122 9.308 0.951 1.00 0.00 C ATOM 1020 O MET A 70 0.587 10.412 0.842 1.00 0.00 O ATOM 1021 CB MET A 70 -0.567 7.569 1.570 1.00 0.00 C ATOM 1022 CG MET A 70 -0.699 6.186 2.187 1.00 0.00 C ATOM 1023 SD MET A 70 -1.559 5.025 1.109 1.00 0.00 S ATOM 1024 CE MET A 70 -0.178 4.276 0.248 1.00 0.00 C ATOM 0 H MET A 70 -0.580 9.194 3.472 1.00 0.00 H new ATOM 0 HA MET A 70 1.485 7.618 2.208 1.00 0.00 H new ATOM 0 HB2 MET A 70 -1.453 8.154 1.817 1.00 0.00 H new ATOM 0 HB3 MET A 70 -0.541 7.473 0.485 1.00 0.00 H new ATOM 0 HG2 MET A 70 0.294 5.798 2.415 1.00 0.00 H new ATOM 0 HG3 MET A 70 -1.236 6.264 3.133 1.00 0.00 H new ATOM 0 HE1 MET A 70 -0.552 3.611 -0.531 1.00 0.00 H new ATOM 0 HE2 MET A 70 0.435 5.056 -0.204 1.00 0.00 H new ATOM 0 HE3 MET A 70 0.424 3.704 0.954 1.00 0.00 H new ATOM 1034 N ARG A 71 2.102 8.897 0.153 1.00 0.00 N ATOM 1035 CA ARG A 71 2.618 9.739 -0.919 1.00 0.00 C ATOM 1036 C ARG A 71 2.791 8.937 -2.206 1.00 0.00 C ATOM 1037 O ARG A 71 2.621 7.717 -2.215 1.00 0.00 O ATOM 1038 CB ARG A 71 3.955 10.360 -0.510 1.00 0.00 C ATOM 1039 CG ARG A 71 3.853 11.290 0.689 1.00 0.00 C ATOM 1040 CD ARG A 71 3.572 12.722 0.261 1.00 0.00 C ATOM 1041 NE ARG A 71 2.161 12.932 -0.054 1.00 0.00 N ATOM 1042 CZ ARG A 71 1.679 14.069 -0.543 1.00 0.00 C ATOM 1043 NH1 ARG A 71 2.490 15.093 -0.772 1.00 0.00 N ATOM 1044 NH2 ARG A 71 0.383 14.183 -0.805 1.00 0.00 N ATOM 0 H ARG A 71 2.554 7.986 0.229 1.00 0.00 H new ATOM 0 HA ARG A 71 1.895 10.535 -1.101 1.00 0.00 H new ATOM 0 HB2 ARG A 71 4.662 9.562 -0.281 1.00 0.00 H new ATOM 0 HB3 ARG A 71 4.362 10.914 -1.356 1.00 0.00 H new ATOM 0 HG2 ARG A 71 3.060 10.945 1.352 1.00 0.00 H new ATOM 0 HG3 ARG A 71 4.782 11.255 1.258 1.00 0.00 H new ATOM 0 HD2 ARG A 71 3.871 13.404 1.057 1.00 0.00 H new ATOM 0 HD3 ARG A 71 4.178 12.965 -0.611 1.00 0.00 H new ATOM 0 HE ARG A 71 1.511 12.164 0.111 1.00 0.00 H new ATOM 0 HH11 ARG A 71 3.487 15.009 -0.573 1.00 0.00 H new ATOM 0 HH12 ARG A 71 2.117 15.965 -1.148 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -0.244 13.397 -0.631 1.00 0.00 H new ATOM 0 HH22 ARG A 71 0.013 15.056 -1.180 1.00 0.00 H new ATOM 1058 N ILE A 72 3.128 9.629 -3.288 1.00 0.00 N ATOM 1059 CA ILE A 72 3.324 8.981 -4.579 1.00 0.00 C ATOM 1060 C ILE A 72 4.662 8.252 -4.631 1.00 0.00 C ATOM 1061 O ILE A 72 5.722 8.872 -4.552 1.00 0.00 O ATOM 1062 CB ILE A 72 3.260 9.997 -5.735 1.00 0.00 C ATOM 1063 CG1 ILE A 72 2.065 10.935 -5.553 1.00 0.00 C ATOM 1064 CG2 ILE A 72 3.175 9.274 -7.071 1.00 0.00 C ATOM 1065 CD1 ILE A 72 0.838 10.248 -4.995 1.00 0.00 C ATOM 0 H ILE A 72 3.271 10.639 -3.297 1.00 0.00 H new ATOM 0 HA ILE A 72 2.515 8.260 -4.695 1.00 0.00 H new ATOM 0 HB ILE A 72 4.171 10.595 -5.725 1.00 0.00 H new ATOM 0 HG12 ILE A 72 2.350 11.749 -4.887 1.00 0.00 H new ATOM 0 HG13 ILE A 72 1.815 11.383 -6.515 1.00 0.00 H new ATOM 0 HG21 ILE A 72 3.130 10.005 -7.878 1.00 0.00 H new ATOM 0 HG22 ILE A 72 4.055 8.644 -7.200 1.00 0.00 H new ATOM 0 HG23 ILE A 72 2.279 8.654 -7.093 1.00 0.00 H new ATOM 0 HD11 ILE A 72 0.030 10.973 -4.892 1.00 0.00 H new ATOM 0 HD12 ILE A 72 0.527 9.452 -5.672 1.00 0.00 H new ATOM 0 HD13 ILE A 72 1.071 9.824 -4.018 1.00 0.00 H new ATOM 1077 N GLY A 73 4.606 6.930 -4.766 1.00 0.00 N ATOM 1078 CA GLY A 73 5.820 6.139 -4.828 1.00 0.00 C ATOM 1079 C GLY A 73 5.858 5.051 -3.772 1.00 0.00 C ATOM 1080 O GLY A 73 6.752 4.205 -3.774 1.00 0.00 O ATOM 0 H GLY A 73 3.741 6.394 -4.833 1.00 0.00 H new ATOM 0 HA2 GLY A 73 5.904 5.686 -5.816 1.00 0.00 H new ATOM 0 HA3 GLY A 73 6.683 6.793 -4.703 1.00 0.00 H new ATOM 1084 N ASP A 74 4.886 5.073 -2.868 1.00 0.00 N ATOM 1085 CA ASP A 74 4.811 4.082 -1.801 1.00 0.00 C ATOM 1086 C ASP A 74 4.348 2.734 -2.343 1.00 0.00 C ATOM 1087 O ASP A 74 3.345 2.651 -3.052 1.00 0.00 O ATOM 1088 CB ASP A 74 3.861 4.557 -0.700 1.00 0.00 C ATOM 1089 CG ASP A 74 4.468 5.651 0.156 1.00 0.00 C ATOM 1090 OD1 ASP A 74 5.712 5.747 0.203 1.00 0.00 O ATOM 1091 OD2 ASP A 74 3.698 6.413 0.778 1.00 0.00 O ATOM 0 H ASP A 74 4.138 5.767 -2.852 1.00 0.00 H new ATOM 0 HA ASP A 74 5.809 3.961 -1.381 1.00 0.00 H new ATOM 0 HB2 ASP A 74 2.939 4.923 -1.152 1.00 0.00 H new ATOM 0 HB3 ASP A 74 3.592 3.712 -0.067 1.00 0.00 H new ATOM 1096 N GLU A 75 5.085 1.680 -2.005 1.00 0.00 N ATOM 1097 CA GLU A 75 4.749 0.336 -2.460 1.00 0.00 C ATOM 1098 C GLU A 75 3.971 -0.423 -1.389 1.00 0.00 C ATOM 1099 O GLU A 75 4.518 -0.784 -0.347 1.00 0.00 O ATOM 1100 CB GLU A 75 6.020 -0.434 -2.825 1.00 0.00 C ATOM 1101 CG GLU A 75 5.829 -1.941 -2.860 1.00 0.00 C ATOM 1102 CD GLU A 75 7.140 -2.693 -2.982 1.00 0.00 C ATOM 1103 OE1 GLU A 75 7.574 -2.946 -4.125 1.00 0.00 O ATOM 1104 OE2 GLU A 75 7.732 -3.028 -1.935 1.00 0.00 O ATOM 0 H GLU A 75 5.918 1.731 -1.418 1.00 0.00 H new ATOM 0 HA GLU A 75 4.120 0.426 -3.345 1.00 0.00 H new ATOM 0 HB2 GLU A 75 6.371 -0.098 -3.801 1.00 0.00 H new ATOM 0 HB3 GLU A 75 6.801 -0.192 -2.104 1.00 0.00 H new ATOM 0 HG2 GLU A 75 5.315 -2.259 -1.953 1.00 0.00 H new ATOM 0 HG3 GLU A 75 5.185 -2.202 -3.700 1.00 0.00 H new ATOM 1111 N LEU A 76 2.691 -0.660 -1.654 1.00 0.00 N ATOM 1112 CA LEU A 76 1.836 -1.376 -0.713 1.00 0.00 C ATOM 1113 C LEU A 76 2.316 -2.811 -0.524 1.00 0.00 C ATOM 1114 O LEU A 76 2.412 -3.577 -1.483 1.00 0.00 O ATOM 1115 CB LEU A 76 0.388 -1.372 -1.206 1.00 0.00 C ATOM 1116 CG LEU A 76 -0.292 -0.004 -1.279 1.00 0.00 C ATOM 1117 CD1 LEU A 76 -1.548 -0.077 -2.135 1.00 0.00 C ATOM 1118 CD2 LEU A 76 -0.625 0.502 0.117 1.00 0.00 C ATOM 0 H LEU A 76 2.223 -0.367 -2.512 1.00 0.00 H new ATOM 0 HA LEU A 76 1.888 -0.865 0.249 1.00 0.00 H new ATOM 0 HB2 LEU A 76 0.362 -1.822 -2.198 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -0.200 -2.013 -0.550 1.00 0.00 H new ATOM 0 HG LEU A 76 0.399 0.699 -1.743 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -2.018 0.905 -2.175 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -1.283 -0.394 -3.144 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -2.244 -0.795 -1.700 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -1.108 1.476 0.045 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -1.298 -0.201 0.608 1.00 0.00 H new ATOM 0 HD23 LEU A 76 0.292 0.594 0.699 1.00 0.00 H new ATOM 1130 N LEU A 77 2.615 -3.170 0.720 1.00 0.00 N ATOM 1131 CA LEU A 77 3.084 -4.515 1.037 1.00 0.00 C ATOM 1132 C LEU A 77 1.954 -5.363 1.612 1.00 0.00 C ATOM 1133 O LEU A 77 1.758 -6.508 1.206 1.00 0.00 O ATOM 1134 CB LEU A 77 4.245 -4.450 2.030 1.00 0.00 C ATOM 1135 CG LEU A 77 5.410 -3.539 1.642 1.00 0.00 C ATOM 1136 CD1 LEU A 77 6.240 -3.183 2.866 1.00 0.00 C ATOM 1137 CD2 LEU A 77 6.277 -4.203 0.583 1.00 0.00 C ATOM 0 H LEU A 77 2.541 -2.549 1.526 1.00 0.00 H new ATOM 0 HA LEU A 77 3.430 -4.981 0.114 1.00 0.00 H new ATOM 0 HB2 LEU A 77 3.855 -4.118 2.992 1.00 0.00 H new ATOM 0 HB3 LEU A 77 4.631 -5.459 2.173 1.00 0.00 H new ATOM 0 HG LEU A 77 5.002 -2.619 1.224 1.00 0.00 H new ATOM 0 HD11 LEU A 77 7.064 -2.534 2.570 1.00 0.00 H new ATOM 0 HD12 LEU A 77 5.613 -2.665 3.592 1.00 0.00 H new ATOM 0 HD13 LEU A 77 6.638 -4.094 3.313 1.00 0.00 H new ATOM 0 HD21 LEU A 77 7.101 -3.540 0.319 1.00 0.00 H new ATOM 0 HD22 LEU A 77 6.675 -5.139 0.974 1.00 0.00 H new ATOM 0 HD23 LEU A 77 5.677 -4.406 -0.304 1.00 0.00 H new ATOM 1149 N GLU A 78 1.214 -4.792 2.557 1.00 0.00 N ATOM 1150 CA GLU A 78 0.103 -5.497 3.187 1.00 0.00 C ATOM 1151 C GLU A 78 -1.102 -4.576 3.351 1.00 0.00 C ATOM 1152 O GLU A 78 -0.955 -3.359 3.472 1.00 0.00 O ATOM 1153 CB GLU A 78 0.527 -6.049 4.549 1.00 0.00 C ATOM 1154 CG GLU A 78 1.509 -7.205 4.459 1.00 0.00 C ATOM 1155 CD GLU A 78 1.394 -8.161 5.630 1.00 0.00 C ATOM 1156 OE1 GLU A 78 0.255 -8.532 5.984 1.00 0.00 O ATOM 1157 OE2 GLU A 78 2.443 -8.539 6.193 1.00 0.00 O ATOM 0 H GLU A 78 1.363 -3.844 2.903 1.00 0.00 H new ATOM 0 HA GLU A 78 -0.181 -6.327 2.540 1.00 0.00 H new ATOM 0 HB2 GLU A 78 0.977 -5.246 5.133 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -0.360 -6.378 5.090 1.00 0.00 H new ATOM 0 HG2 GLU A 78 1.338 -7.751 3.531 1.00 0.00 H new ATOM 0 HG3 GLU A 78 2.525 -6.811 4.415 1.00 0.00 H new ATOM 1164 N ILE A 79 -2.293 -5.165 3.354 1.00 0.00 N ATOM 1165 CA ILE A 79 -3.523 -4.398 3.504 1.00 0.00 C ATOM 1166 C ILE A 79 -4.637 -5.255 4.097 1.00 0.00 C ATOM 1167 O ILE A 79 -5.162 -6.150 3.437 1.00 0.00 O ATOM 1168 CB ILE A 79 -3.996 -3.823 2.156 1.00 0.00 C ATOM 1169 CG1 ILE A 79 -2.993 -2.790 1.637 1.00 0.00 C ATOM 1170 CG2 ILE A 79 -5.377 -3.201 2.300 1.00 0.00 C ATOM 1171 CD1 ILE A 79 -3.415 -2.136 0.340 1.00 0.00 C ATOM 0 H ILE A 79 -2.432 -6.171 3.254 1.00 0.00 H new ATOM 0 HA ILE A 79 -3.300 -3.575 4.183 1.00 0.00 H new ATOM 0 HB ILE A 79 -4.059 -4.637 1.433 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -2.853 -2.019 2.395 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -2.027 -3.274 1.493 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -5.697 -2.799 1.339 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -6.086 -3.961 2.630 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -5.339 -2.397 3.035 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -2.657 -1.416 0.032 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -3.527 -2.897 -0.432 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -4.366 -1.623 0.484 1.00 0.00 H new ATOM 1183 N ASN A 80 -4.992 -4.972 5.346 1.00 0.00 N ATOM 1184 CA ASN A 80 -6.044 -5.717 6.028 1.00 0.00 C ATOM 1185 C ASN A 80 -5.659 -7.184 6.184 1.00 0.00 C ATOM 1186 O ASN A 80 -6.445 -8.079 5.877 1.00 0.00 O ATOM 1187 CB ASN A 80 -7.361 -5.603 5.257 1.00 0.00 C ATOM 1188 CG ASN A 80 -8.538 -6.152 6.038 1.00 0.00 C ATOM 1189 OD1 ASN A 80 -9.050 -7.230 5.735 1.00 0.00 O ATOM 1190 ND2 ASN A 80 -8.974 -5.411 7.050 1.00 0.00 N ATOM 0 H ASN A 80 -4.567 -4.233 5.906 1.00 0.00 H new ATOM 0 HA ASN A 80 -6.173 -5.286 7.021 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -7.547 -4.557 5.013 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -7.273 -6.140 4.312 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -9.764 -5.729 7.612 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -8.519 -4.524 7.265 1.00 0.00 H new ATOM 1197 N ASN A 81 -4.443 -7.423 6.664 1.00 0.00 N ATOM 1198 CA ASN A 81 -3.952 -8.783 6.861 1.00 0.00 C ATOM 1199 C ASN A 81 -3.896 -9.538 5.537 1.00 0.00 C ATOM 1200 O ASN A 81 -4.290 -10.702 5.459 1.00 0.00 O ATOM 1201 CB ASN A 81 -4.847 -9.531 7.851 1.00 0.00 C ATOM 1202 CG ASN A 81 -4.559 -9.153 9.291 1.00 0.00 C ATOM 1203 OD1 ASN A 81 -4.034 -9.957 10.063 1.00 0.00 O ATOM 1204 ND2 ASN A 81 -4.903 -7.925 9.660 1.00 0.00 N ATOM 0 H ASN A 81 -3.779 -6.693 6.924 1.00 0.00 H new ATOM 0 HA ASN A 81 -2.942 -8.724 7.267 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -5.892 -9.318 7.624 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -4.706 -10.604 7.725 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -4.735 -7.614 10.617 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -5.335 -7.292 8.987 1.00 0.00 H new ATOM 1211 N GLN A 82 -3.404 -8.868 4.500 1.00 0.00 N ATOM 1212 CA GLN A 82 -3.297 -9.477 3.180 1.00 0.00 C ATOM 1213 C GLN A 82 -2.045 -8.991 2.456 1.00 0.00 C ATOM 1214 O GLN A 82 -1.879 -7.794 2.219 1.00 0.00 O ATOM 1215 CB GLN A 82 -4.538 -9.157 2.345 1.00 0.00 C ATOM 1216 CG GLN A 82 -5.685 -10.131 2.563 1.00 0.00 C ATOM 1217 CD GLN A 82 -5.637 -11.311 1.613 1.00 0.00 C ATOM 1218 OE1 GLN A 82 -4.899 -12.272 1.834 1.00 0.00 O ATOM 1219 NE2 GLN A 82 -6.426 -11.245 0.547 1.00 0.00 N ATOM 0 H GLN A 82 -3.074 -7.904 4.548 1.00 0.00 H new ATOM 0 HA GLN A 82 -3.224 -10.557 3.311 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -4.877 -8.149 2.585 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -4.266 -9.159 1.289 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -5.657 -10.495 3.590 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -6.632 -9.606 2.436 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -7.022 -10.430 0.403 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -6.436 -12.010 -0.128 1.00 0.00 H new ATOM 1228 N ILE A 83 -1.167 -9.926 2.110 1.00 0.00 N ATOM 1229 CA ILE A 83 0.069 -9.592 1.413 1.00 0.00 C ATOM 1230 C ILE A 83 -0.208 -9.164 -0.024 1.00 0.00 C ATOM 1231 O ILE A 83 -1.107 -9.694 -0.679 1.00 0.00 O ATOM 1232 CB ILE A 83 1.048 -10.781 1.403 1.00 0.00 C ATOM 1233 CG1 ILE A 83 1.398 -11.194 2.835 1.00 0.00 C ATOM 1234 CG2 ILE A 83 2.307 -10.424 0.627 1.00 0.00 C ATOM 1235 CD1 ILE A 83 2.358 -12.360 2.910 1.00 0.00 C ATOM 0 H ILE A 83 -1.288 -10.921 2.301 1.00 0.00 H new ATOM 0 HA ILE A 83 0.523 -8.762 1.955 1.00 0.00 H new ATOM 0 HB ILE A 83 0.567 -11.625 0.909 1.00 0.00 H new ATOM 0 HG12 ILE A 83 1.834 -10.341 3.354 1.00 0.00 H new ATOM 0 HG13 ILE A 83 0.481 -11.454 3.364 1.00 0.00 H new ATOM 0 HG21 ILE A 83 2.989 -11.274 0.629 1.00 0.00 H new ATOM 0 HG22 ILE A 83 2.042 -10.173 -0.400 1.00 0.00 H new ATOM 0 HG23 ILE A 83 2.793 -9.568 1.096 1.00 0.00 H new ATOM 0 HD11 ILE A 83 2.561 -12.598 3.954 1.00 0.00 H new ATOM 0 HD12 ILE A 83 1.916 -13.227 2.420 1.00 0.00 H new ATOM 0 HD13 ILE A 83 3.290 -12.097 2.410 1.00 0.00 H new ATOM 1247 N LEU A 84 0.570 -8.204 -0.510 1.00 0.00 N ATOM 1248 CA LEU A 84 0.411 -7.705 -1.872 1.00 0.00 C ATOM 1249 C LEU A 84 1.751 -7.666 -2.598 1.00 0.00 C ATOM 1250 O LEU A 84 1.839 -7.207 -3.737 1.00 0.00 O ATOM 1251 CB LEU A 84 -0.214 -6.309 -1.855 1.00 0.00 C ATOM 1252 CG LEU A 84 -1.346 -6.092 -0.850 1.00 0.00 C ATOM 1253 CD1 LEU A 84 -1.760 -4.630 -0.820 1.00 0.00 C ATOM 1254 CD2 LEU A 84 -2.536 -6.979 -1.187 1.00 0.00 C ATOM 0 H LEU A 84 1.318 -7.755 0.019 1.00 0.00 H new ATOM 0 HA LEU A 84 -0.251 -8.386 -2.407 1.00 0.00 H new ATOM 0 HB2 LEU A 84 0.573 -5.583 -1.648 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -0.594 -6.091 -2.853 1.00 0.00 H new ATOM 0 HG LEU A 84 -0.984 -6.366 0.141 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -2.566 -4.495 -0.099 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -0.907 -4.016 -0.530 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -2.104 -4.329 -1.810 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -3.332 -6.811 -0.461 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -2.899 -6.737 -2.186 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -2.231 -8.025 -1.155 1.00 0.00 H new ATOM 1266 N TYR A 85 2.793 -8.152 -1.932 1.00 0.00 N ATOM 1267 CA TYR A 85 4.130 -8.172 -2.514 1.00 0.00 C ATOM 1268 C TYR A 85 4.264 -9.300 -3.532 1.00 0.00 C ATOM 1269 O TYR A 85 5.354 -9.576 -4.031 1.00 0.00 O ATOM 1270 CB TYR A 85 5.184 -8.332 -1.417 1.00 0.00 C ATOM 1271 CG TYR A 85 6.570 -8.624 -1.947 1.00 0.00 C ATOM 1272 CD1 TYR A 85 7.443 -7.593 -2.270 1.00 0.00 C ATOM 1273 CD2 TYR A 85 7.006 -9.931 -2.124 1.00 0.00 C ATOM 1274 CE1 TYR A 85 8.710 -7.855 -2.755 1.00 0.00 C ATOM 1275 CE2 TYR A 85 8.272 -10.203 -2.607 1.00 0.00 C ATOM 1276 CZ TYR A 85 9.119 -9.161 -2.922 1.00 0.00 C ATOM 1277 OH TYR A 85 10.381 -9.426 -3.403 1.00 0.00 O ATOM 0 H TYR A 85 2.738 -8.537 -0.989 1.00 0.00 H new ATOM 0 HA TYR A 85 4.290 -7.223 -3.027 1.00 0.00 H new ATOM 0 HB2 TYR A 85 5.217 -7.420 -0.821 1.00 0.00 H new ATOM 0 HB3 TYR A 85 4.882 -9.139 -0.749 1.00 0.00 H new ATOM 0 HD1 TYR A 85 7.126 -6.569 -2.140 1.00 0.00 H new ATOM 0 HD2 TYR A 85 6.344 -10.749 -1.880 1.00 0.00 H new ATOM 0 HE1 TYR A 85 9.376 -7.041 -3.002 1.00 0.00 H new ATOM 0 HE2 TYR A 85 8.596 -11.225 -2.737 1.00 0.00 H new ATOM 0 HH TYR A 85 10.512 -10.395 -3.460 1.00 0.00 H new ATOM 1287 N GLY A 86 3.144 -9.950 -3.837 1.00 0.00 N ATOM 1288 CA GLY A 86 3.156 -11.040 -4.795 1.00 0.00 C ATOM 1289 C GLY A 86 1.857 -11.148 -5.567 1.00 0.00 C ATOM 1290 O GLY A 86 1.561 -12.188 -6.155 1.00 0.00 O ATOM 0 H GLY A 86 2.229 -9.741 -3.438 1.00 0.00 H new ATOM 0 HA2 GLY A 86 3.980 -10.896 -5.494 1.00 0.00 H new ATOM 0 HA3 GLY A 86 3.343 -11.978 -4.271 1.00 0.00 H new ATOM 1294 N ARG A 87 1.077 -10.071 -5.565 1.00 0.00 N ATOM 1295 CA ARG A 87 -0.199 -10.051 -6.268 1.00 0.00 C ATOM 1296 C ARG A 87 -0.292 -8.840 -7.192 1.00 0.00 C ATOM 1297 O ARG A 87 0.592 -7.983 -7.199 1.00 0.00 O ATOM 1298 CB ARG A 87 -1.357 -10.032 -5.268 1.00 0.00 C ATOM 1299 CG ARG A 87 -1.303 -11.162 -4.253 1.00 0.00 C ATOM 1300 CD ARG A 87 -2.291 -10.939 -3.118 1.00 0.00 C ATOM 1301 NE ARG A 87 -3.609 -11.489 -3.424 1.00 0.00 N ATOM 1302 CZ ARG A 87 -3.876 -12.790 -3.444 1.00 0.00 C ATOM 1303 NH1 ARG A 87 -2.921 -13.670 -3.177 1.00 0.00 N ATOM 1304 NH2 ARG A 87 -5.101 -13.212 -3.730 1.00 0.00 N ATOM 0 H ARG A 87 1.307 -9.201 -5.084 1.00 0.00 H new ATOM 0 HA ARG A 87 -0.265 -10.955 -6.873 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -1.353 -9.079 -4.739 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -2.299 -10.090 -5.814 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -1.523 -12.108 -4.748 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -0.294 -11.241 -3.848 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -1.908 -11.401 -2.208 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -2.381 -9.871 -2.920 1.00 0.00 H new ATOM 0 HE ARG A 87 -4.366 -10.838 -3.634 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -1.979 -13.349 -2.956 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -3.129 -14.669 -3.193 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -5.838 -12.537 -3.935 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -5.306 -14.211 -3.745 1.00 0.00 H new ATOM 1318 N SER A 88 -1.367 -8.776 -7.971 1.00 0.00 N ATOM 1319 CA SER A 88 -1.573 -7.673 -8.902 1.00 0.00 C ATOM 1320 C SER A 88 -2.321 -6.527 -8.228 1.00 0.00 C ATOM 1321 O SER A 88 -3.013 -6.723 -7.229 1.00 0.00 O ATOM 1322 CB SER A 88 -2.349 -8.152 -10.130 1.00 0.00 C ATOM 1323 OG SER A 88 -2.811 -7.057 -10.900 1.00 0.00 O ATOM 0 H SER A 88 -2.109 -9.476 -7.976 1.00 0.00 H new ATOM 0 HA SER A 88 -0.595 -7.310 -9.219 1.00 0.00 H new ATOM 0 HB2 SER A 88 -1.710 -8.788 -10.743 1.00 0.00 H new ATOM 0 HB3 SER A 88 -3.196 -8.761 -9.814 1.00 0.00 H new ATOM 0 HG SER A 88 -3.302 -7.390 -11.680 1.00 0.00 H new ATOM 1329 N HIS A 89 -2.176 -5.327 -8.784 1.00 0.00 N ATOM 1330 CA HIS A 89 -2.838 -4.148 -8.238 1.00 0.00 C ATOM 1331 C HIS A 89 -4.355 -4.295 -8.308 1.00 0.00 C ATOM 1332 O HIS A 89 -5.085 -3.664 -7.544 1.00 0.00 O ATOM 1333 CB HIS A 89 -2.400 -2.895 -8.997 1.00 0.00 C ATOM 1334 CG HIS A 89 -2.827 -2.883 -10.432 1.00 0.00 C ATOM 1335 ND1 HIS A 89 -4.103 -2.552 -10.835 1.00 0.00 N ATOM 1336 CD2 HIS A 89 -2.137 -3.164 -11.563 1.00 0.00 C ATOM 1337 CE1 HIS A 89 -4.181 -2.631 -12.152 1.00 0.00 C ATOM 1338 NE2 HIS A 89 -3.001 -3.000 -12.618 1.00 0.00 N ATOM 0 H HIS A 89 -1.607 -5.147 -9.611 1.00 0.00 H new ATOM 0 HA HIS A 89 -2.548 -4.051 -7.192 1.00 0.00 H new ATOM 0 HB2 HIS A 89 -2.809 -2.017 -8.498 1.00 0.00 H new ATOM 0 HB3 HIS A 89 -1.314 -2.812 -8.949 1.00 0.00 H new ATOM 0 HD2 HIS A 89 -1.101 -3.462 -11.624 1.00 0.00 H new ATOM 0 HE1 HIS A 89 -5.060 -2.428 -12.746 1.00 0.00 H new ATOM 0 HE2 HIS A 89 -2.769 -3.140 -13.601 1.00 0.00 H new ATOM 1347 N GLN A 90 -4.822 -5.131 -9.230 1.00 0.00 N ATOM 1348 CA GLN A 90 -6.252 -5.358 -9.400 1.00 0.00 C ATOM 1349 C GLN A 90 -6.843 -6.047 -8.175 1.00 0.00 C ATOM 1350 O GLN A 90 -8.040 -5.944 -7.910 1.00 0.00 O ATOM 1351 CB GLN A 90 -6.510 -6.204 -10.649 1.00 0.00 C ATOM 1352 CG GLN A 90 -6.517 -5.398 -11.938 1.00 0.00 C ATOM 1353 CD GLN A 90 -6.798 -6.253 -13.158 1.00 0.00 C ATOM 1354 OE1 GLN A 90 -7.905 -6.764 -13.331 1.00 0.00 O ATOM 1355 NE2 GLN A 90 -5.795 -6.413 -14.014 1.00 0.00 N ATOM 0 H GLN A 90 -4.231 -5.662 -9.870 1.00 0.00 H new ATOM 0 HA GLN A 90 -6.737 -4.389 -9.519 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -5.745 -6.978 -10.718 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -7.469 -6.712 -10.542 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -7.270 -4.613 -11.867 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -5.553 -4.904 -12.059 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -4.894 -5.972 -13.832 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -5.926 -6.977 -14.854 1.00 0.00 H new ATOM 1364 N ASN A 91 -5.995 -6.749 -7.430 1.00 0.00 N ATOM 1365 CA ASN A 91 -6.434 -7.455 -6.232 1.00 0.00 C ATOM 1366 C ASN A 91 -6.450 -6.522 -5.025 1.00 0.00 C ATOM 1367 O ASN A 91 -7.372 -6.558 -4.211 1.00 0.00 O ATOM 1368 CB ASN A 91 -5.520 -8.650 -5.955 1.00 0.00 C ATOM 1369 CG ASN A 91 -5.962 -9.899 -6.693 1.00 0.00 C ATOM 1370 OD1 ASN A 91 -6.936 -10.547 -6.310 1.00 0.00 O ATOM 1371 ND2 ASN A 91 -5.245 -10.243 -7.756 1.00 0.00 N ATOM 0 H ASN A 91 -5.000 -6.844 -7.635 1.00 0.00 H new ATOM 0 HA ASN A 91 -7.449 -7.814 -6.404 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -4.500 -8.400 -6.248 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -5.504 -8.851 -4.884 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -5.494 -11.075 -8.292 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -4.445 -9.676 -8.037 1.00 0.00 H new ATOM 1378 N ALA A 92 -5.421 -5.687 -4.916 1.00 0.00 N ATOM 1379 CA ALA A 92 -5.318 -4.743 -3.811 1.00 0.00 C ATOM 1380 C ALA A 92 -6.635 -4.006 -3.593 1.00 0.00 C ATOM 1381 O ALA A 92 -7.179 -4.002 -2.489 1.00 0.00 O ATOM 1382 CB ALA A 92 -4.193 -3.751 -4.068 1.00 0.00 C ATOM 0 H ALA A 92 -4.648 -5.646 -5.580 1.00 0.00 H new ATOM 0 HA ALA A 92 -5.093 -5.306 -2.905 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -4.127 -3.052 -3.235 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -3.250 -4.288 -4.166 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -4.395 -3.202 -4.988 1.00 0.00 H new ATOM 1388 N SER A 93 -7.142 -3.383 -4.652 1.00 0.00 N ATOM 1389 CA SER A 93 -8.394 -2.639 -4.574 1.00 0.00 C ATOM 1390 C SER A 93 -9.525 -3.531 -4.071 1.00 0.00 C ATOM 1391 O SER A 93 -10.366 -3.100 -3.283 1.00 0.00 O ATOM 1392 CB SER A 93 -8.754 -2.063 -5.945 1.00 0.00 C ATOM 1393 OG SER A 93 -10.069 -1.533 -5.945 1.00 0.00 O ATOM 0 H SER A 93 -6.705 -3.379 -5.574 1.00 0.00 H new ATOM 0 HA SER A 93 -8.259 -1.820 -3.867 1.00 0.00 H new ATOM 0 HB2 SER A 93 -8.043 -1.281 -6.213 1.00 0.00 H new ATOM 0 HB3 SER A 93 -8.672 -2.842 -6.703 1.00 0.00 H new ATOM 0 HG SER A 93 -10.275 -1.170 -6.831 1.00 0.00 H new ATOM 1399 N ALA A 94 -9.538 -4.777 -4.533 1.00 0.00 N ATOM 1400 CA ALA A 94 -10.564 -5.731 -4.130 1.00 0.00 C ATOM 1401 C ALA A 94 -10.484 -6.023 -2.636 1.00 0.00 C ATOM 1402 O ALA A 94 -11.508 -6.158 -1.964 1.00 0.00 O ATOM 1403 CB ALA A 94 -10.432 -7.018 -4.930 1.00 0.00 C ATOM 0 H ALA A 94 -8.849 -5.149 -5.187 1.00 0.00 H new ATOM 0 HA ALA A 94 -11.539 -5.288 -4.335 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -11.205 -7.721 -4.618 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -10.547 -6.800 -5.992 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -9.450 -7.457 -4.754 1.00 0.00 H new ATOM 1409 N ILE A 95 -9.263 -6.122 -2.121 1.00 0.00 N ATOM 1410 CA ILE A 95 -9.051 -6.399 -0.706 1.00 0.00 C ATOM 1411 C ILE A 95 -9.596 -5.270 0.163 1.00 0.00 C ATOM 1412 O ILE A 95 -10.283 -5.515 1.155 1.00 0.00 O ATOM 1413 CB ILE A 95 -7.557 -6.599 -0.389 1.00 0.00 C ATOM 1414 CG1 ILE A 95 -6.987 -7.751 -1.219 1.00 0.00 C ATOM 1415 CG2 ILE A 95 -7.361 -6.861 1.096 1.00 0.00 C ATOM 1416 CD1 ILE A 95 -5.475 -7.798 -1.230 1.00 0.00 C ATOM 0 H ILE A 95 -8.406 -6.014 -2.663 1.00 0.00 H new ATOM 0 HA ILE A 95 -9.589 -7.320 -0.481 1.00 0.00 H new ATOM 0 HB ILE A 95 -7.020 -5.687 -0.651 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -7.369 -8.694 -0.827 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -7.347 -7.662 -2.244 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -6.300 -7.000 1.304 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -7.734 -6.011 1.668 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -7.908 -7.759 1.382 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -5.142 -8.639 -1.837 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -5.085 -6.871 -1.649 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -5.107 -7.918 -0.211 1.00 0.00 H new ATOM 1428 N ILE A 96 -9.288 -4.036 -0.219 1.00 0.00 N ATOM 1429 CA ILE A 96 -9.750 -2.870 0.524 1.00 0.00 C ATOM 1430 C ILE A 96 -11.273 -2.813 0.566 1.00 0.00 C ATOM 1431 O ILE A 96 -11.869 -2.600 1.622 1.00 0.00 O ATOM 1432 CB ILE A 96 -9.215 -1.563 -0.091 1.00 0.00 C ATOM 1433 CG1 ILE A 96 -7.697 -1.476 0.081 1.00 0.00 C ATOM 1434 CG2 ILE A 96 -9.895 -0.360 0.548 1.00 0.00 C ATOM 1435 CD1 ILE A 96 -7.059 -0.375 -0.736 1.00 0.00 C ATOM 0 H ILE A 96 -8.721 -3.817 -1.038 1.00 0.00 H new ATOM 0 HA ILE A 96 -9.365 -2.969 1.539 1.00 0.00 H new ATOM 0 HB ILE A 96 -9.442 -1.561 -1.157 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -7.467 -1.315 1.134 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -7.252 -2.431 -0.200 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -9.507 0.556 0.103 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -10.970 -0.418 0.379 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -9.696 -0.356 1.620 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -5.983 -0.372 -0.565 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -7.258 -0.545 -1.794 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -7.476 0.587 -0.439 1.00 0.00 H new ATOM 1447 N LYS A 97 -11.899 -3.006 -0.591 1.00 0.00 N ATOM 1448 CA LYS A 97 -13.354 -2.980 -0.688 1.00 0.00 C ATOM 1449 C LYS A 97 -13.984 -3.929 0.327 1.00 0.00 C ATOM 1450 O LYS A 97 -14.927 -3.566 1.031 1.00 0.00 O ATOM 1451 CB LYS A 97 -13.798 -3.361 -2.102 1.00 0.00 C ATOM 1452 CG LYS A 97 -15.112 -2.724 -2.519 1.00 0.00 C ATOM 1453 CD LYS A 97 -15.339 -2.844 -4.016 1.00 0.00 C ATOM 1454 CE LYS A 97 -14.445 -1.892 -4.794 1.00 0.00 C ATOM 1455 NZ LYS A 97 -15.093 -0.567 -5.002 1.00 0.00 N ATOM 0 H LYS A 97 -11.421 -3.182 -1.475 1.00 0.00 H new ATOM 0 HA LYS A 97 -13.690 -1.966 -0.469 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -13.022 -3.068 -2.809 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -13.893 -4.445 -2.164 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -15.934 -3.201 -1.986 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -15.115 -1.672 -2.233 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -15.144 -3.868 -4.333 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -16.384 -2.632 -4.245 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -13.506 -1.757 -4.258 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -14.200 -2.332 -5.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -14.451 0.053 -5.536 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -15.977 -0.693 -5.535 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -15.304 -0.135 -4.080 1.00 0.00 H new ATOM 1469 N THR A 98 -13.455 -5.147 0.400 1.00 0.00 N ATOM 1470 CA THR A 98 -13.965 -6.147 1.329 1.00 0.00 C ATOM 1471 C THR A 98 -13.568 -5.819 2.763 1.00 0.00 C ATOM 1472 O THR A 98 -14.201 -6.279 3.713 1.00 0.00 O ATOM 1473 CB THR A 98 -13.451 -7.556 0.975 1.00 0.00 C ATOM 1474 OG1 THR A 98 -12.025 -7.599 1.088 1.00 0.00 O ATOM 1475 CG2 THR A 98 -13.866 -7.945 -0.436 1.00 0.00 C ATOM 0 H THR A 98 -12.673 -5.464 -0.174 1.00 0.00 H new ATOM 0 HA THR A 98 -15.052 -6.132 1.244 1.00 0.00 H new ATOM 0 HB THR A 98 -13.892 -8.266 1.674 1.00 0.00 H new ATOM 0 HG1 THR A 98 -11.669 -6.686 1.084 1.00 0.00 H new ATOM 0 HG21 THR A 98 -13.492 -8.943 -0.663 1.00 0.00 H new ATOM 0 HG22 THR A 98 -14.953 -7.940 -0.510 1.00 0.00 H new ATOM 0 HG23 THR A 98 -13.450 -7.231 -1.147 1.00 0.00 H new ATOM 1483 N ALA A 99 -12.517 -5.019 2.913 1.00 0.00 N ATOM 1484 CA ALA A 99 -12.038 -4.627 4.232 1.00 0.00 C ATOM 1485 C ALA A 99 -12.990 -3.634 4.890 1.00 0.00 C ATOM 1486 O ALA A 99 -13.699 -2.881 4.222 1.00 0.00 O ATOM 1487 CB ALA A 99 -10.641 -4.033 4.131 1.00 0.00 C ATOM 0 H ALA A 99 -11.981 -4.630 2.137 1.00 0.00 H new ATOM 0 HA ALA A 99 -11.998 -5.520 4.856 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -10.296 -3.745 5.124 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -9.960 -4.773 3.711 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -10.665 -3.155 3.486 1.00 0.00 H new ATOM 1493 N PRO A 100 -13.010 -3.631 6.231 1.00 0.00 N ATOM 1494 CA PRO A 100 -13.872 -2.736 7.008 1.00 0.00 C ATOM 1495 C PRO A 100 -13.430 -1.280 6.914 1.00 0.00 C ATOM 1496 O PRO A 100 -12.371 -0.977 6.365 1.00 0.00 O ATOM 1497 CB PRO A 100 -13.718 -3.250 8.441 1.00 0.00 C ATOM 1498 CG PRO A 100 -12.385 -3.916 8.463 1.00 0.00 C ATOM 1499 CD PRO A 100 -12.192 -4.502 7.092 1.00 0.00 C ATOM 0 HA PRO A 100 -14.900 -2.745 6.646 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -13.765 -2.434 9.162 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -14.514 -3.949 8.699 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -11.596 -3.202 8.697 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -12.349 -4.692 9.228 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -11.144 -4.491 6.794 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -12.525 -5.539 7.047 1.00 0.00 H new ATOM 1507 N SER A 101 -14.248 -0.382 7.454 1.00 0.00 N ATOM 1508 CA SER A 101 -13.942 1.044 7.428 1.00 0.00 C ATOM 1509 C SER A 101 -12.469 1.290 7.742 1.00 0.00 C ATOM 1510 O SER A 101 -11.720 1.799 6.909 1.00 0.00 O ATOM 1511 CB SER A 101 -14.822 1.794 8.429 1.00 0.00 C ATOM 1512 OG SER A 101 -16.126 1.993 7.914 1.00 0.00 O ATOM 0 H SER A 101 -15.127 -0.616 7.915 1.00 0.00 H new ATOM 0 HA SER A 101 -14.148 1.417 6.425 1.00 0.00 H new ATOM 0 HB2 SER A 101 -14.878 1.232 9.361 1.00 0.00 H new ATOM 0 HB3 SER A 101 -14.370 2.757 8.665 1.00 0.00 H new ATOM 0 HG SER A 101 -16.669 2.473 8.574 1.00 0.00 H new ATOM 1518 N LYS A 102 -12.061 0.923 8.953 1.00 0.00 N ATOM 1519 CA LYS A 102 -10.678 1.101 9.380 1.00 0.00 C ATOM 1520 C LYS A 102 -9.781 0.023 8.782 1.00 0.00 C ATOM 1521 O LYS A 102 -9.891 -1.153 9.128 1.00 0.00 O ATOM 1522 CB LYS A 102 -10.587 1.067 10.908 1.00 0.00 C ATOM 1523 CG LYS A 102 -9.295 1.650 11.453 1.00 0.00 C ATOM 1524 CD LYS A 102 -9.456 2.116 12.890 1.00 0.00 C ATOM 1525 CE LYS A 102 -9.920 3.563 12.959 1.00 0.00 C ATOM 1526 NZ LYS A 102 -9.834 4.107 14.342 1.00 0.00 N ATOM 0 H LYS A 102 -12.668 0.501 9.655 1.00 0.00 H new ATOM 0 HA LYS A 102 -10.335 2.072 9.023 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -11.429 1.618 11.326 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -10.682 0.035 11.246 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -8.505 0.901 11.399 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -8.982 2.488 10.831 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -10.176 1.477 13.402 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -8.507 2.012 13.416 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -9.311 4.172 12.291 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -10.949 3.632 12.605 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -10.159 5.095 14.347 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -10.435 3.542 14.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -8.848 4.065 14.671 1.00 0.00 H new ATOM 1540 N VAL A 103 -8.890 0.431 7.884 1.00 0.00 N ATOM 1541 CA VAL A 103 -7.971 -0.500 7.240 1.00 0.00 C ATOM 1542 C VAL A 103 -6.524 -0.176 7.593 1.00 0.00 C ATOM 1543 O VAL A 103 -6.177 0.979 7.839 1.00 0.00 O ATOM 1544 CB VAL A 103 -8.132 -0.478 5.708 1.00 0.00 C ATOM 1545 CG1 VAL A 103 -7.216 -1.504 5.060 1.00 0.00 C ATOM 1546 CG2 VAL A 103 -9.582 -0.726 5.321 1.00 0.00 C ATOM 0 H VAL A 103 -8.785 1.401 7.586 1.00 0.00 H new ATOM 0 HA VAL A 103 -8.218 -1.495 7.609 1.00 0.00 H new ATOM 0 HB VAL A 103 -7.847 0.509 5.344 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -7.344 -1.474 3.978 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -6.180 -1.276 5.310 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -7.467 -2.499 5.427 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -9.677 -0.707 4.235 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -9.897 -1.700 5.696 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -10.212 0.051 5.754 1.00 0.00 H new ATOM 1556 N LYS A 104 -5.682 -1.204 7.615 1.00 0.00 N ATOM 1557 CA LYS A 104 -4.271 -1.030 7.936 1.00 0.00 C ATOM 1558 C LYS A 104 -3.405 -1.200 6.691 1.00 0.00 C ATOM 1559 O LYS A 104 -3.289 -2.300 6.149 1.00 0.00 O ATOM 1560 CB LYS A 104 -3.843 -2.035 9.008 1.00 0.00 C ATOM 1561 CG LYS A 104 -2.342 -2.082 9.234 1.00 0.00 C ATOM 1562 CD LYS A 104 -1.924 -3.361 9.939 1.00 0.00 C ATOM 1563 CE LYS A 104 -0.641 -3.166 10.733 1.00 0.00 C ATOM 1564 NZ LYS A 104 -0.512 -4.162 11.832 1.00 0.00 N ATOM 0 H LYS A 104 -5.953 -2.167 7.414 1.00 0.00 H new ATOM 0 HA LYS A 104 -4.133 -0.019 8.318 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -4.336 -1.783 9.947 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -4.190 -3.028 8.722 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -1.827 -2.008 8.276 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -2.035 -1.221 9.828 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -2.721 -3.686 10.608 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -1.781 -4.153 9.204 1.00 0.00 H new ATOM 0 HE2 LYS A 104 0.216 -3.250 10.065 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -0.622 -2.160 11.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 0.375 -3.996 12.349 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -1.316 -4.065 12.484 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -0.504 -5.122 11.432 1.00 0.00 H new ATOM 1578 N LEU A 105 -2.798 -0.106 6.245 1.00 0.00 N ATOM 1579 CA LEU A 105 -1.941 -0.134 5.065 1.00 0.00 C ATOM 1580 C LEU A 105 -0.468 -0.124 5.461 1.00 0.00 C ATOM 1581 O LEU A 105 -0.034 0.707 6.258 1.00 0.00 O ATOM 1582 CB LEU A 105 -2.246 1.062 4.161 1.00 0.00 C ATOM 1583 CG LEU A 105 -3.708 1.237 3.748 1.00 0.00 C ATOM 1584 CD1 LEU A 105 -4.021 2.704 3.502 1.00 0.00 C ATOM 1585 CD2 LEU A 105 -4.015 0.409 2.509 1.00 0.00 C ATOM 0 H LEU A 105 -2.883 0.811 6.683 1.00 0.00 H new ATOM 0 HA LEU A 105 -2.145 -1.056 4.520 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -1.923 1.969 4.671 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -1.643 0.972 3.258 1.00 0.00 H new ATOM 0 HG LEU A 105 -4.340 0.884 4.562 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -5.066 2.809 3.209 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -3.841 3.272 4.414 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -3.381 3.084 2.706 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -5.060 0.546 2.230 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -3.375 0.731 1.688 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -3.831 -0.644 2.721 1.00 0.00 H new ATOM 1597 N VAL A 106 0.297 -1.054 4.897 1.00 0.00 N ATOM 1598 CA VAL A 106 1.722 -1.151 5.189 1.00 0.00 C ATOM 1599 C VAL A 106 2.555 -0.982 3.923 1.00 0.00 C ATOM 1600 O VAL A 106 2.701 -1.916 3.134 1.00 0.00 O ATOM 1601 CB VAL A 106 2.071 -2.501 5.844 1.00 0.00 C ATOM 1602 CG1 VAL A 106 3.571 -2.616 6.064 1.00 0.00 C ATOM 1603 CG2 VAL A 106 1.317 -2.667 7.154 1.00 0.00 C ATOM 0 H VAL A 106 -0.047 -1.750 4.236 1.00 0.00 H new ATOM 0 HA VAL A 106 1.958 -0.347 5.886 1.00 0.00 H new ATOM 0 HB VAL A 106 1.765 -3.302 5.171 1.00 0.00 H new ATOM 0 HG11 VAL A 106 3.798 -3.576 6.527 1.00 0.00 H new ATOM 0 HG12 VAL A 106 4.086 -2.545 5.106 1.00 0.00 H new ATOM 0 HG13 VAL A 106 3.906 -1.810 6.717 1.00 0.00 H new ATOM 0 HG21 VAL A 106 1.575 -3.626 7.603 1.00 0.00 H new ATOM 0 HG22 VAL A 106 1.590 -1.862 7.836 1.00 0.00 H new ATOM 0 HG23 VAL A 106 0.244 -2.633 6.963 1.00 0.00 H new ATOM 1613 N PHE A 107 3.099 0.215 3.735 1.00 0.00 N ATOM 1614 CA PHE A 107 3.918 0.507 2.564 1.00 0.00 C ATOM 1615 C PHE A 107 5.306 0.989 2.977 1.00 0.00 C ATOM 1616 O PHE A 107 5.598 1.129 4.165 1.00 0.00 O ATOM 1617 CB PHE A 107 3.238 1.563 1.690 1.00 0.00 C ATOM 1618 CG PHE A 107 3.139 2.911 2.346 1.00 0.00 C ATOM 1619 CD1 PHE A 107 4.213 3.786 2.328 1.00 0.00 C ATOM 1620 CD2 PHE A 107 1.971 3.303 2.981 1.00 0.00 C ATOM 1621 CE1 PHE A 107 4.124 5.026 2.932 1.00 0.00 C ATOM 1622 CE2 PHE A 107 1.876 4.542 3.586 1.00 0.00 C ATOM 1623 CZ PHE A 107 2.954 5.405 3.561 1.00 0.00 C ATOM 0 H PHE A 107 2.988 0.999 4.378 1.00 0.00 H new ATOM 0 HA PHE A 107 4.028 -0.413 1.990 1.00 0.00 H new ATOM 0 HB2 PHE A 107 3.792 1.662 0.756 1.00 0.00 H new ATOM 0 HB3 PHE A 107 2.236 1.219 1.432 1.00 0.00 H new ATOM 0 HD1 PHE A 107 5.130 3.496 1.837 1.00 0.00 H new ATOM 0 HD2 PHE A 107 1.125 2.632 3.003 1.00 0.00 H new ATOM 0 HE1 PHE A 107 4.969 5.698 2.912 1.00 0.00 H new ATOM 0 HE2 PHE A 107 0.960 4.835 4.078 1.00 0.00 H new ATOM 0 HZ PHE A 107 2.882 6.374 4.032 1.00 0.00 H new ATOM 1633 N ILE A 108 6.156 1.242 1.988 1.00 0.00 N ATOM 1634 CA ILE A 108 7.512 1.709 2.248 1.00 0.00 C ATOM 1635 C ILE A 108 7.835 2.949 1.420 1.00 0.00 C ATOM 1636 O ILE A 108 7.703 2.942 0.197 1.00 0.00 O ATOM 1637 CB ILE A 108 8.553 0.615 1.940 1.00 0.00 C ATOM 1638 CG1 ILE A 108 9.968 1.146 2.179 1.00 0.00 C ATOM 1639 CG2 ILE A 108 8.399 0.126 0.508 1.00 0.00 C ATOM 1640 CD1 ILE A 108 10.976 0.061 2.484 1.00 0.00 C ATOM 0 H ILE A 108 5.930 1.132 1.000 1.00 0.00 H new ATOM 0 HA ILE A 108 7.562 1.959 3.308 1.00 0.00 H new ATOM 0 HB ILE A 108 8.383 -0.227 2.611 1.00 0.00 H new ATOM 0 HG12 ILE A 108 10.295 1.697 1.297 1.00 0.00 H new ATOM 0 HG13 ILE A 108 9.947 1.854 3.007 1.00 0.00 H new ATOM 0 HG21 ILE A 108 9.141 -0.646 0.305 1.00 0.00 H new ATOM 0 HG22 ILE A 108 7.399 -0.286 0.370 1.00 0.00 H new ATOM 0 HG23 ILE A 108 8.546 0.959 -0.179 1.00 0.00 H new ATOM 0 HD11 ILE A 108 11.957 0.510 2.642 1.00 0.00 H new ATOM 0 HD12 ILE A 108 10.673 -0.475 3.383 1.00 0.00 H new ATOM 0 HD13 ILE A 108 11.026 -0.635 1.647 1.00 0.00 H new ATOM 1652 N ARG A 109 8.260 4.010 2.097 1.00 0.00 N ATOM 1653 CA ARG A 109 8.603 5.258 1.425 1.00 0.00 C ATOM 1654 C ARG A 109 10.048 5.233 0.937 1.00 0.00 C ATOM 1655 O ARG A 109 10.975 5.034 1.721 1.00 0.00 O ATOM 1656 CB ARG A 109 8.391 6.444 2.367 1.00 0.00 C ATOM 1657 CG ARG A 109 8.529 7.796 1.685 1.00 0.00 C ATOM 1658 CD ARG A 109 8.348 8.939 2.672 1.00 0.00 C ATOM 1659 NE ARG A 109 6.951 9.347 2.787 1.00 0.00 N ATOM 1660 CZ ARG A 109 6.541 10.359 3.542 1.00 0.00 C ATOM 1661 NH1 ARG A 109 7.417 11.063 4.246 1.00 0.00 N ATOM 1662 NH2 ARG A 109 5.252 10.670 3.595 1.00 0.00 N ATOM 0 H ARG A 109 8.375 4.031 3.110 1.00 0.00 H new ATOM 0 HA ARG A 109 7.948 5.368 0.561 1.00 0.00 H new ATOM 0 HB2 ARG A 109 7.399 6.371 2.812 1.00 0.00 H new ATOM 0 HB3 ARG A 109 9.112 6.383 3.183 1.00 0.00 H new ATOM 0 HG2 ARG A 109 9.511 7.870 1.217 1.00 0.00 H new ATOM 0 HG3 ARG A 109 7.789 7.880 0.889 1.00 0.00 H new ATOM 0 HD2 ARG A 109 8.718 8.635 3.651 1.00 0.00 H new ATOM 0 HD3 ARG A 109 8.949 9.791 2.354 1.00 0.00 H new ATOM 0 HE ARG A 109 6.252 8.826 2.258 1.00 0.00 H new ATOM 0 HH11 ARG A 109 8.409 10.827 4.208 1.00 0.00 H new ATOM 0 HH12 ARG A 109 7.099 11.840 4.825 1.00 0.00 H new ATOM 0 HH21 ARG A 109 4.575 10.131 3.055 1.00 0.00 H new ATOM 0 HH22 ARG A 109 4.938 11.448 4.176 1.00 0.00 H new ATOM 1676 N ASN A 110 10.232 5.437 -0.364 1.00 0.00 N ATOM 1677 CA ASN A 110 11.564 5.437 -0.957 1.00 0.00 C ATOM 1678 C ASN A 110 11.610 6.332 -2.191 1.00 0.00 C ATOM 1679 O ASN A 110 10.731 6.265 -3.050 1.00 0.00 O ATOM 1680 CB ASN A 110 11.979 4.012 -1.330 1.00 0.00 C ATOM 1681 CG ASN A 110 13.480 3.810 -1.258 1.00 0.00 C ATOM 1682 OD1 ASN A 110 14.217 4.695 -0.824 1.00 0.00 O ATOM 1683 ND2 ASN A 110 13.941 2.640 -1.686 1.00 0.00 N ATOM 0 H ASN A 110 9.475 5.604 -1.027 1.00 0.00 H new ATOM 0 HA ASN A 110 12.263 5.830 -0.219 1.00 0.00 H new ATOM 0 HB2 ASN A 110 11.488 3.306 -0.660 1.00 0.00 H new ATOM 0 HB3 ASN A 110 11.633 3.788 -2.339 1.00 0.00 H new ATOM 0 HD21 ASN A 110 14.942 2.447 -1.663 1.00 0.00 H new ATOM 0 HD22 ASN A 110 13.294 1.935 -2.038 1.00 0.00 H new ATOM 1690 N GLU A 111 12.641 7.167 -2.272 1.00 0.00 N ATOM 1691 CA GLU A 111 12.800 8.075 -3.402 1.00 0.00 C ATOM 1692 C GLU A 111 13.138 7.305 -4.676 1.00 0.00 C ATOM 1693 O GLU A 111 13.116 7.861 -5.774 1.00 0.00 O ATOM 1694 CB GLU A 111 13.896 9.102 -3.109 1.00 0.00 C ATOM 1695 CG GLU A 111 15.298 8.515 -3.115 1.00 0.00 C ATOM 1696 CD GLU A 111 16.370 9.564 -2.890 1.00 0.00 C ATOM 1697 OE1 GLU A 111 16.161 10.454 -2.040 1.00 0.00 O ATOM 1698 OE2 GLU A 111 17.419 9.492 -3.564 1.00 0.00 O ATOM 0 H GLU A 111 13.378 7.234 -1.570 1.00 0.00 H new ATOM 0 HA GLU A 111 11.854 8.595 -3.552 1.00 0.00 H new ATOM 0 HB2 GLU A 111 13.842 9.900 -3.850 1.00 0.00 H new ATOM 0 HB3 GLU A 111 13.706 9.557 -2.137 1.00 0.00 H new ATOM 0 HG2 GLU A 111 15.372 7.753 -2.339 1.00 0.00 H new ATOM 0 HG3 GLU A 111 15.476 8.018 -4.069 1.00 0.00 H new ATOM 1705 N ASP A 112 13.449 6.023 -4.520 1.00 0.00 N ATOM 1706 CA ASP A 112 13.791 5.176 -5.656 1.00 0.00 C ATOM 1707 C ASP A 112 12.568 4.408 -6.148 1.00 0.00 C ATOM 1708 O ASP A 112 12.560 3.879 -7.259 1.00 0.00 O ATOM 1709 CB ASP A 112 14.903 4.197 -5.274 1.00 0.00 C ATOM 1710 CG ASP A 112 16.162 4.904 -4.814 1.00 0.00 C ATOM 1711 OD1 ASP A 112 16.595 5.853 -5.501 1.00 0.00 O ATOM 1712 OD2 ASP A 112 16.717 4.508 -3.767 1.00 0.00 O ATOM 0 H ASP A 112 13.471 5.548 -3.618 1.00 0.00 H new ATOM 0 HA ASP A 112 14.144 5.818 -6.463 1.00 0.00 H new ATOM 0 HB2 ASP A 112 14.548 3.540 -4.480 1.00 0.00 H new ATOM 0 HB3 ASP A 112 15.137 3.565 -6.131 1.00 0.00 H new ATOM 1717 N ALA A 113 11.536 4.350 -5.313 1.00 0.00 N ATOM 1718 CA ALA A 113 10.307 3.648 -5.663 1.00 0.00 C ATOM 1719 C ALA A 113 9.523 4.411 -6.725 1.00 0.00 C ATOM 1720 O ALA A 113 8.888 3.811 -7.593 1.00 0.00 O ATOM 1721 CB ALA A 113 9.451 3.433 -4.424 1.00 0.00 C ATOM 0 H ALA A 113 11.526 4.781 -4.389 1.00 0.00 H new ATOM 0 HA ALA A 113 10.577 2.677 -6.077 1.00 0.00 H new ATOM 0 HB1 ALA A 113 8.537 2.908 -4.700 1.00 0.00 H new ATOM 0 HB2 ALA A 113 10.005 2.839 -3.697 1.00 0.00 H new ATOM 0 HB3 ALA A 113 9.197 4.398 -3.985 1.00 0.00 H new ATOM 1727 N VAL A 114 9.570 5.737 -6.650 1.00 0.00 N ATOM 1728 CA VAL A 114 8.864 6.583 -7.605 1.00 0.00 C ATOM 1729 C VAL A 114 9.348 6.327 -9.028 1.00 0.00 C ATOM 1730 O VAL A 114 8.627 6.575 -9.994 1.00 0.00 O ATOM 1731 CB VAL A 114 9.043 8.076 -7.274 1.00 0.00 C ATOM 1732 CG1 VAL A 114 8.319 8.427 -5.983 1.00 0.00 C ATOM 1733 CG2 VAL A 114 10.521 8.426 -7.178 1.00 0.00 C ATOM 0 H VAL A 114 10.090 6.249 -5.937 1.00 0.00 H new ATOM 0 HA VAL A 114 7.807 6.328 -7.532 1.00 0.00 H new ATOM 0 HB VAL A 114 8.605 8.665 -8.080 1.00 0.00 H new ATOM 0 HG11 VAL A 114 8.457 9.486 -5.765 1.00 0.00 H new ATOM 0 HG12 VAL A 114 7.256 8.214 -6.093 1.00 0.00 H new ATOM 0 HG13 VAL A 114 8.725 7.832 -5.165 1.00 0.00 H new ATOM 0 HG21 VAL A 114 10.630 9.485 -6.943 1.00 0.00 H new ATOM 0 HG22 VAL A 114 10.986 7.831 -6.392 1.00 0.00 H new ATOM 0 HG23 VAL A 114 11.008 8.213 -8.130 1.00 0.00 H new ATOM 1743 N ASN A 115 10.575 5.830 -9.150 1.00 0.00 N ATOM 1744 CA ASN A 115 11.157 5.541 -10.455 1.00 0.00 C ATOM 1745 C ASN A 115 10.783 4.135 -10.918 1.00 0.00 C ATOM 1746 O ASN A 115 10.568 3.900 -12.106 1.00 0.00 O ATOM 1747 CB ASN A 115 12.679 5.684 -10.401 1.00 0.00 C ATOM 1748 CG ASN A 115 13.115 7.096 -10.061 1.00 0.00 C ATOM 1749 OD1 ASN A 115 12.327 8.039 -10.148 1.00 0.00 O ATOM 1750 ND2 ASN A 115 14.375 7.249 -9.671 1.00 0.00 N ATOM 0 H ASN A 115 11.185 5.619 -8.360 1.00 0.00 H new ATOM 0 HA ASN A 115 10.757 6.259 -11.171 1.00 0.00 H new ATOM 0 HB2 ASN A 115 13.080 4.994 -9.658 1.00 0.00 H new ATOM 0 HB3 ASN A 115 13.103 5.398 -11.364 1.00 0.00 H new ATOM 0 HD21 ASN A 115 14.725 8.176 -9.429 1.00 0.00 H new ATOM 0 HD22 ASN A 115 14.993 6.440 -9.613 1.00 0.00 H new ATOM 1757 N GLN A 116 10.708 3.207 -9.970 1.00 0.00 N ATOM 1758 CA GLN A 116 10.361 1.825 -10.281 1.00 0.00 C ATOM 1759 C GLN A 116 8.878 1.698 -10.614 1.00 0.00 C ATOM 1760 O GLN A 116 8.501 1.004 -11.557 1.00 0.00 O ATOM 1761 CB GLN A 116 10.712 0.912 -9.105 1.00 0.00 C ATOM 1762 CG GLN A 116 12.181 0.957 -8.717 1.00 0.00 C ATOM 1763 CD GLN A 116 13.104 0.877 -9.917 1.00 0.00 C ATOM 1764 OE1 GLN A 116 12.819 0.178 -10.889 1.00 0.00 O ATOM 1765 NE2 GLN A 116 14.219 1.596 -9.855 1.00 0.00 N ATOM 0 H GLN A 116 10.883 3.386 -8.981 1.00 0.00 H new ATOM 0 HA GLN A 116 10.938 1.519 -11.154 1.00 0.00 H new ATOM 0 HB2 GLN A 116 10.108 1.196 -8.243 1.00 0.00 H new ATOM 0 HB3 GLN A 116 10.443 -0.113 -9.359 1.00 0.00 H new ATOM 0 HG2 GLN A 116 12.381 1.879 -8.171 1.00 0.00 H new ATOM 0 HG3 GLN A 116 12.399 0.131 -8.040 1.00 0.00 H new ATOM 0 HE21 GLN A 116 14.416 2.162 -9.029 1.00 0.00 H new ATOM 0 HE22 GLN A 116 14.879 1.582 -10.633 1.00 0.00 H new ATOM 1774 N MET A 117 8.041 2.373 -9.832 1.00 0.00 N ATOM 1775 CA MET A 117 6.599 2.336 -10.045 1.00 0.00 C ATOM 1776 C MET A 117 6.242 2.842 -11.439 1.00 0.00 C ATOM 1777 O MET A 117 6.669 3.922 -11.845 1.00 0.00 O ATOM 1778 CB MET A 117 5.884 3.177 -8.986 1.00 0.00 C ATOM 1779 CG MET A 117 6.434 4.589 -8.857 1.00 0.00 C ATOM 1780 SD MET A 117 5.601 5.761 -9.944 1.00 0.00 S ATOM 1781 CE MET A 117 5.290 7.112 -8.811 1.00 0.00 C ATOM 0 H MET A 117 8.337 2.952 -9.046 1.00 0.00 H new ATOM 0 HA MET A 117 6.271 1.300 -9.959 1.00 0.00 H new ATOM 0 HB2 MET A 117 4.823 3.230 -9.231 1.00 0.00 H new ATOM 0 HB3 MET A 117 5.963 2.676 -8.021 1.00 0.00 H new ATOM 0 HG2 MET A 117 6.332 4.922 -7.824 1.00 0.00 H new ATOM 0 HG3 MET A 117 7.500 4.582 -9.085 1.00 0.00 H new ATOM 0 HE1 MET A 117 4.448 7.702 -9.171 1.00 0.00 H new ATOM 0 HE2 MET A 117 5.057 6.713 -7.824 1.00 0.00 H new ATOM 0 HE3 MET A 117 6.175 7.744 -8.747 1.00 0.00 H new ATOM 1791 N ALA A 118 5.458 2.053 -12.167 1.00 0.00 N ATOM 1792 CA ALA A 118 5.042 2.423 -13.514 1.00 0.00 C ATOM 1793 C ALA A 118 3.878 3.407 -13.480 1.00 0.00 C ATOM 1794 O ALA A 118 2.727 3.015 -13.286 1.00 0.00 O ATOM 1795 CB ALA A 118 4.663 1.181 -14.308 1.00 0.00 C ATOM 0 H ALA A 118 5.098 1.154 -11.846 1.00 0.00 H new ATOM 0 HA ALA A 118 5.882 2.914 -14.005 1.00 0.00 H new ATOM 0 HB1 ALA A 118 4.354 1.471 -15.312 1.00 0.00 H new ATOM 0 HB2 ALA A 118 5.522 0.513 -14.371 1.00 0.00 H new ATOM 0 HB3 ALA A 118 3.841 0.668 -13.810 1.00 0.00 H new