USER MOD reduce.3.24.130724 H: found=0, std=0, add=613, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 614 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 52 GLN : amide:sc= -2.38 K(o=-2.4,f=-0.67) USER MOD Set 1.2: A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 ASN : amide:sc= -1.12 K(o=-1.1,f=-0.39) USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 CYS SG : rot 180:sc= -1.83 USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 130:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= -0.263 K(o=-0.26,f=-1.3!) USER MOD Single : A 31 HIS : no HD1:sc= 0 X(o=0,f=-0.0074) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 MET CE :methyl 145:sc= -0.0113 (180deg=-0.961) USER MOD Single : A 42 GLN : amide:sc= -5.65! C(o=-5.7!,f=-2.4!) USER MOD Single : A 45 SER OG : rot -104:sc= 1.21 USER MOD Single : A 47 HIS : no HD1:sc= -0.0701 K(o=-0.07,f=-2.4) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 HIS : no HE2:sc= -2.41! C(o=-2.4!,f=-4!) USER MOD Single : A 64 SER OG : rot -90:sc= -0.351 USER MOD Single : A 70 ASN : amide:sc= -1.42 K(o=-1.4,f=-0.49) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 84 HIS : no HD1:sc= 0.0572 K(o=0.057,f=-0.87) USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 180:sc= -1.35 USER MOD Single : A 89 ASN : amide:sc= -2.61 K(o=-2.6,f=-1.4) USER MOD Single : A 104 CYS SG : rot 7:sc= 0.173 USER MOD Single : A 106 MET CE :methyl -160:sc= -0.161 (180deg=-0.532) USER MOD Single : A 114 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 134 N LYS A 11 -9.614 -1.949 6.338 1.00 0.00 N ATOM 135 CA LYS A 11 -9.152 -0.767 5.620 1.00 0.00 C ATOM 136 C LYS A 11 -8.553 -1.169 4.280 1.00 0.00 C ATOM 137 O LYS A 11 -9.116 -0.870 3.229 1.00 0.00 O ATOM 138 CB LYS A 11 -8.121 0.004 6.449 1.00 0.00 C ATOM 139 CG LYS A 11 -7.366 -0.858 7.448 1.00 0.00 C ATOM 140 CD LYS A 11 -7.820 -0.588 8.872 1.00 0.00 C ATOM 141 CE LYS A 11 -7.693 -1.827 9.743 1.00 0.00 C ATOM 142 NZ LYS A 11 -7.975 -1.532 11.175 1.00 0.00 N ATOM 0 HA LYS A 11 -10.008 -0.115 5.445 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -7.405 0.474 5.775 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -8.627 0.806 6.986 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -7.518 -1.911 7.210 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -6.297 -0.664 7.363 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -7.224 0.220 9.298 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -8.857 -0.251 8.867 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -8.383 -2.592 9.388 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -6.687 -2.236 9.648 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -7.878 -2.403 11.735 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -7.301 -0.820 11.522 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -8.944 -1.166 11.270 1.00 0.00 H new ATOM 155 N TRP A 12 -7.414 -1.860 4.333 1.00 0.00 N ATOM 156 CA TRP A 12 -6.732 -2.331 3.125 1.00 0.00 C ATOM 157 C TRP A 12 -7.756 -2.777 2.079 1.00 0.00 C ATOM 158 O TRP A 12 -8.698 -3.503 2.400 1.00 0.00 O ATOM 159 CB TRP A 12 -5.782 -3.495 3.454 1.00 0.00 C ATOM 160 CG TRP A 12 -4.971 -3.316 4.711 1.00 0.00 C ATOM 161 CD1 TRP A 12 -4.886 -2.201 5.497 1.00 0.00 C ATOM 162 CD2 TRP A 12 -4.121 -4.296 5.323 1.00 0.00 C ATOM 163 NE1 TRP A 12 -4.047 -2.431 6.561 1.00 0.00 N ATOM 164 CE2 TRP A 12 -3.562 -3.708 6.474 1.00 0.00 C ATOM 165 CE3 TRP A 12 -3.779 -5.614 5.009 1.00 0.00 C ATOM 166 CZ2 TRP A 12 -2.684 -4.393 7.309 1.00 0.00 C ATOM 167 CZ3 TRP A 12 -2.907 -6.293 5.838 1.00 0.00 C ATOM 168 CH2 TRP A 12 -2.368 -5.682 6.978 1.00 0.00 C ATOM 0 H TRP A 12 -6.942 -2.107 5.203 1.00 0.00 H new ATOM 0 HA TRP A 12 -6.145 -1.506 2.722 1.00 0.00 H new ATOM 0 HB2 TRP A 12 -6.369 -4.409 3.545 1.00 0.00 H new ATOM 0 HB3 TRP A 12 -5.100 -3.636 2.616 1.00 0.00 H new ATOM 0 HD1 TRP A 12 -5.404 -1.272 5.309 1.00 0.00 H new ATOM 0 HE1 TRP A 12 -3.822 -1.760 7.295 1.00 0.00 H new ATOM 0 HE3 TRP A 12 -4.190 -6.094 4.133 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 -2.267 -3.923 8.187 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 -2.636 -7.312 5.603 1.00 0.00 H new ATOM 0 HH2 TRP A 12 -1.690 -6.239 7.607 1.00 0.00 H new ATOM 179 N ILE A 13 -7.588 -2.322 0.838 1.00 0.00 N ATOM 180 CA ILE A 13 -8.529 -2.666 -0.228 1.00 0.00 C ATOM 181 C ILE A 13 -7.832 -3.209 -1.475 1.00 0.00 C ATOM 182 O ILE A 13 -6.938 -2.572 -2.026 1.00 0.00 O ATOM 183 CB ILE A 13 -9.379 -1.445 -0.635 1.00 0.00 C ATOM 184 CG1 ILE A 13 -9.143 -0.276 0.336 1.00 0.00 C ATOM 185 CG2 ILE A 13 -10.848 -1.832 -0.687 1.00 0.00 C ATOM 186 CD1 ILE A 13 -10.404 0.449 0.765 1.00 0.00 C ATOM 0 H ILE A 13 -6.817 -1.720 0.547 1.00 0.00 H new ATOM 0 HA ILE A 13 -9.168 -3.449 0.181 1.00 0.00 H new ATOM 0 HB ILE A 13 -9.077 -1.115 -1.629 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -8.637 -0.654 1.224 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -8.469 0.440 -0.134 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -11.443 -0.965 -0.975 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -10.989 -2.628 -1.418 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -11.167 -2.181 0.295 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -10.144 1.257 1.448 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -10.903 0.861 -0.112 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -11.073 -0.250 1.267 1.00 0.00 H new ATOM 198 N ASN A 14 -8.267 -4.385 -1.926 1.00 0.00 N ATOM 199 CA ASN A 14 -7.702 -5.016 -3.116 1.00 0.00 C ATOM 200 C ASN A 14 -8.646 -4.872 -4.309 1.00 0.00 C ATOM 201 O ASN A 14 -9.862 -4.777 -4.139 1.00 0.00 O ATOM 202 CB ASN A 14 -7.415 -6.495 -2.856 1.00 0.00 C ATOM 203 CG ASN A 14 -7.095 -7.259 -4.125 1.00 0.00 C ATOM 204 OD1 ASN A 14 -7.847 -8.141 -4.539 1.00 0.00 O ATOM 205 ND2 ASN A 14 -5.974 -6.922 -4.753 1.00 0.00 N ATOM 0 H ASN A 14 -9.012 -4.921 -1.482 1.00 0.00 H new ATOM 0 HA ASN A 14 -6.765 -4.510 -3.350 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -6.578 -6.582 -2.163 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -8.279 -6.949 -2.371 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -5.708 -7.401 -5.614 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -5.379 -6.185 -4.375 1.00 0.00 H new ATOM 212 N PHE A 15 -8.079 -4.854 -5.512 1.00 0.00 N ATOM 213 CA PHE A 15 -8.871 -4.718 -6.728 1.00 0.00 C ATOM 214 C PHE A 15 -8.518 -5.815 -7.734 1.00 0.00 C ATOM 215 O PHE A 15 -8.487 -6.995 -7.384 1.00 0.00 O ATOM 216 CB PHE A 15 -8.654 -3.335 -7.350 1.00 0.00 C ATOM 217 CG PHE A 15 -8.544 -2.230 -6.339 1.00 0.00 C ATOM 218 CD1 PHE A 15 -9.678 -1.581 -5.875 1.00 0.00 C ATOM 219 CD2 PHE A 15 -7.307 -1.843 -5.852 1.00 0.00 C ATOM 220 CE1 PHE A 15 -9.577 -0.565 -4.944 1.00 0.00 C ATOM 221 CE2 PHE A 15 -7.200 -0.827 -4.922 1.00 0.00 C ATOM 222 CZ PHE A 15 -8.337 -0.187 -4.466 1.00 0.00 C ATOM 0 H PHE A 15 -7.074 -4.932 -5.670 1.00 0.00 H new ATOM 0 HA PHE A 15 -9.923 -4.824 -6.464 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -7.746 -3.356 -7.953 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -9.481 -3.116 -8.026 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -10.650 -1.872 -6.245 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -6.415 -2.341 -6.203 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -10.467 -0.066 -4.590 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -6.229 -0.533 -4.552 1.00 0.00 H new ATOM 0 HZ PHE A 15 -8.256 0.607 -3.738 1.00 0.00 H new ATOM 232 N GLN A 16 -8.256 -5.422 -8.981 1.00 0.00 N ATOM 233 CA GLN A 16 -7.907 -6.376 -10.028 1.00 0.00 C ATOM 234 C GLN A 16 -6.799 -7.314 -9.560 1.00 0.00 C ATOM 235 O GLN A 16 -6.897 -8.531 -9.716 1.00 0.00 O ATOM 236 CB GLN A 16 -7.466 -5.639 -11.294 1.00 0.00 C ATOM 237 CG GLN A 16 -8.470 -4.605 -11.776 1.00 0.00 C ATOM 238 CD GLN A 16 -9.480 -5.183 -12.748 1.00 0.00 C ATOM 239 OE1 GLN A 16 -9.144 -5.521 -13.883 1.00 0.00 O ATOM 240 NE2 GLN A 16 -10.727 -5.300 -12.306 1.00 0.00 N ATOM 0 H GLN A 16 -8.279 -4.450 -9.288 1.00 0.00 H new ATOM 0 HA GLN A 16 -8.792 -6.971 -10.253 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -6.512 -5.146 -11.104 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -7.297 -6.367 -12.088 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -8.995 -4.186 -10.918 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -7.938 -3.783 -12.256 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -10.961 -5.007 -11.357 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -11.450 -5.683 -12.915 1.00 0.00 H new ATOM 249 N ARG A 17 -5.747 -6.740 -8.982 1.00 0.00 N ATOM 250 CA ARG A 17 -4.626 -7.530 -8.487 1.00 0.00 C ATOM 251 C ARG A 17 -3.745 -6.712 -7.551 1.00 0.00 C ATOM 252 O ARG A 17 -2.756 -7.214 -7.018 1.00 0.00 O ATOM 253 CB ARG A 17 -3.796 -8.067 -9.655 1.00 0.00 C ATOM 254 CG ARG A 17 -3.225 -6.975 -10.547 1.00 0.00 C ATOM 255 CD ARG A 17 -4.077 -6.769 -11.790 1.00 0.00 C ATOM 256 NE ARG A 17 -3.323 -7.014 -13.016 1.00 0.00 N ATOM 257 CZ ARG A 17 -2.467 -6.144 -13.543 1.00 0.00 C ATOM 258 NH1 ARG A 17 -2.256 -4.975 -12.950 1.00 0.00 N ATOM 259 NH2 ARG A 17 -1.821 -6.441 -14.661 1.00 0.00 N ATOM 0 H ARG A 17 -5.648 -5.734 -8.846 1.00 0.00 H new ATOM 0 HA ARG A 17 -5.032 -8.370 -7.923 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -2.977 -8.669 -9.262 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -4.417 -8.729 -10.258 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -3.164 -6.042 -9.988 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -2.209 -7.238 -10.841 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -4.938 -7.437 -11.754 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -4.464 -5.750 -11.800 1.00 0.00 H new ATOM 0 HE ARG A 17 -3.461 -7.904 -13.496 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -2.751 -4.743 -12.089 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -1.599 -4.309 -13.356 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -1.980 -7.338 -15.119 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -1.165 -5.772 -15.064 1.00 0.00 H new ATOM 273 N LYS A 18 -4.119 -5.454 -7.345 1.00 0.00 N ATOM 274 CA LYS A 18 -3.377 -4.571 -6.469 1.00 0.00 C ATOM 275 C LYS A 18 -4.223 -4.219 -5.257 1.00 0.00 C ATOM 276 O LYS A 18 -5.448 -4.295 -5.302 1.00 0.00 O ATOM 277 CB LYS A 18 -2.977 -3.300 -7.213 1.00 0.00 C ATOM 278 CG LYS A 18 -4.107 -2.295 -7.333 1.00 0.00 C ATOM 279 CD LYS A 18 -4.009 -1.495 -8.621 1.00 0.00 C ATOM 280 CE LYS A 18 -4.114 -0.002 -8.360 1.00 0.00 C ATOM 281 NZ LYS A 18 -3.326 0.791 -9.344 1.00 0.00 N ATOM 0 H LYS A 18 -4.937 -5.026 -7.778 1.00 0.00 H new ATOM 0 HA LYS A 18 -2.472 -5.081 -6.139 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -2.138 -2.833 -6.696 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -2.629 -3.566 -8.211 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -5.064 -2.816 -7.300 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -4.084 -1.617 -6.480 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -3.062 -1.713 -9.115 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -4.802 -1.803 -9.303 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -5.160 0.301 -8.404 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -3.761 0.216 -7.352 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -3.424 1.804 -9.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -2.324 0.520 -9.285 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -3.679 0.603 -10.304 1.00 0.00 H new ATOM 294 N CYS A 19 -3.567 -3.837 -4.181 1.00 0.00 N ATOM 295 CA CYS A 19 -4.264 -3.477 -2.959 1.00 0.00 C ATOM 296 C CYS A 19 -3.786 -2.134 -2.435 1.00 0.00 C ATOM 297 O CYS A 19 -2.727 -1.637 -2.819 1.00 0.00 O ATOM 298 CB CYS A 19 -4.065 -4.562 -1.895 1.00 0.00 C ATOM 299 SG CYS A 19 -5.056 -4.322 -0.381 1.00 0.00 S ATOM 0 H CYS A 19 -2.551 -3.767 -4.126 1.00 0.00 H new ATOM 0 HA CYS A 19 -5.327 -3.395 -3.186 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -4.315 -5.530 -2.329 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -3.010 -4.598 -1.623 1.00 0.00 H new ATOM 0 HG CYS A 19 -4.817 -5.291 0.452 1.00 0.00 H new ATOM 304 N TYR A 20 -4.579 -1.566 -1.546 1.00 0.00 N ATOM 305 CA TYR A 20 -4.272 -0.290 -0.932 1.00 0.00 C ATOM 306 C TYR A 20 -4.285 -0.457 0.570 1.00 0.00 C ATOM 307 O TYR A 20 -4.950 -1.339 1.106 1.00 0.00 O ATOM 308 CB TYR A 20 -5.283 0.789 -1.344 1.00 0.00 C ATOM 309 CG TYR A 20 -4.943 1.499 -2.639 1.00 0.00 C ATOM 310 CD1 TYR A 20 -4.402 0.809 -3.718 1.00 0.00 C ATOM 311 CD2 TYR A 20 -5.166 2.864 -2.780 1.00 0.00 C ATOM 312 CE1 TYR A 20 -4.093 1.459 -4.898 1.00 0.00 C ATOM 313 CE2 TYR A 20 -4.860 3.520 -3.957 1.00 0.00 C ATOM 314 CZ TYR A 20 -4.323 2.813 -5.012 1.00 0.00 C ATOM 315 OH TYR A 20 -4.017 3.463 -6.186 1.00 0.00 O ATOM 0 H TYR A 20 -5.456 -1.979 -1.229 1.00 0.00 H new ATOM 0 HA TYR A 20 -3.287 0.033 -1.270 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -6.267 0.330 -1.442 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -5.354 1.528 -0.546 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -4.220 -0.252 -3.633 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -5.586 3.421 -1.955 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -3.673 0.908 -5.727 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -5.040 4.581 -4.050 1.00 0.00 H new ATOM 0 HH TYR A 20 -4.241 4.413 -6.102 1.00 0.00 H new ATOM 325 N TYR A 21 -3.538 0.388 1.233 1.00 0.00 N ATOM 326 CA TYR A 21 -3.436 0.355 2.677 1.00 0.00 C ATOM 327 C TYR A 21 -4.007 1.622 3.259 1.00 0.00 C ATOM 328 O TYR A 21 -3.514 2.696 2.977 1.00 0.00 O ATOM 329 CB TYR A 21 -1.973 0.236 3.109 1.00 0.00 C ATOM 330 CG TYR A 21 -1.442 -1.173 3.132 1.00 0.00 C ATOM 331 CD1 TYR A 21 -1.576 -1.959 4.266 1.00 0.00 C ATOM 332 CD2 TYR A 21 -0.797 -1.712 2.028 1.00 0.00 C ATOM 333 CE1 TYR A 21 -1.084 -3.246 4.301 1.00 0.00 C ATOM 334 CE2 TYR A 21 -0.300 -3.001 2.052 1.00 0.00 C ATOM 335 CZ TYR A 21 -0.447 -3.765 3.193 1.00 0.00 C ATOM 336 OH TYR A 21 0.048 -5.049 3.225 1.00 0.00 O ATOM 0 H TYR A 21 -2.982 1.120 0.791 1.00 0.00 H new ATOM 0 HA TYR A 21 -3.993 -0.509 3.038 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -1.358 0.832 2.434 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -1.865 0.668 4.104 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -2.074 -1.557 5.136 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -0.682 -1.114 1.136 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -1.197 -3.846 5.192 1.00 0.00 H new ATOM 0 HE2 TYR A 21 0.200 -3.408 1.185 1.00 0.00 H new ATOM 0 HH TYR A 21 -0.260 -5.538 2.434 1.00 0.00 H new ATOM 346 N PHE A 22 -5.027 1.498 4.081 1.00 0.00 N ATOM 347 CA PHE A 22 -5.621 2.658 4.712 1.00 0.00 C ATOM 348 C PHE A 22 -5.673 2.414 6.212 1.00 0.00 C ATOM 349 O PHE A 22 -6.724 2.536 6.842 1.00 0.00 O ATOM 350 CB PHE A 22 -7.030 2.920 4.168 1.00 0.00 C ATOM 351 CG PHE A 22 -7.093 3.200 2.687 1.00 0.00 C ATOM 352 CD1 PHE A 22 -6.078 3.891 2.048 1.00 0.00 C ATOM 353 CD2 PHE A 22 -8.179 2.774 1.935 1.00 0.00 C ATOM 354 CE1 PHE A 22 -6.141 4.151 0.690 1.00 0.00 C ATOM 355 CE2 PHE A 22 -8.248 3.033 0.577 1.00 0.00 C ATOM 356 CZ PHE A 22 -7.226 3.722 -0.046 1.00 0.00 C ATOM 0 H PHE A 22 -5.461 0.609 4.328 1.00 0.00 H new ATOM 0 HA PHE A 22 -5.016 3.538 4.494 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -7.656 2.055 4.387 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -7.459 3.767 4.703 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -5.225 4.232 2.617 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -8.981 2.233 2.416 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -5.340 4.690 0.206 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -9.100 2.697 0.005 1.00 0.00 H new ATOM 0 HZ PHE A 22 -7.276 3.924 -1.106 1.00 0.00 H new ATOM 366 N GLY A 23 -4.525 2.042 6.771 1.00 0.00 N ATOM 367 CA GLY A 23 -4.449 1.750 8.185 1.00 0.00 C ATOM 368 C GLY A 23 -4.189 2.987 9.024 1.00 0.00 C ATOM 369 O GLY A 23 -4.070 4.089 8.490 1.00 0.00 O ATOM 0 H GLY A 23 -3.645 1.938 6.265 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -5.382 1.287 8.507 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -3.655 1.024 8.360 1.00 0.00 H new ATOM 373 N LYS A 24 -4.106 2.809 10.340 1.00 0.00 N ATOM 374 CA LYS A 24 -3.865 3.926 11.247 1.00 0.00 C ATOM 375 C LYS A 24 -2.664 3.657 12.149 1.00 0.00 C ATOM 376 O LYS A 24 -2.492 2.549 12.659 1.00 0.00 O ATOM 377 CB LYS A 24 -5.107 4.195 12.100 1.00 0.00 C ATOM 378 CG LYS A 24 -5.666 2.950 12.771 1.00 0.00 C ATOM 379 CD LYS A 24 -7.002 3.231 13.439 1.00 0.00 C ATOM 380 CE LYS A 24 -6.836 3.490 14.928 1.00 0.00 C ATOM 381 NZ LYS A 24 -8.083 3.193 15.685 1.00 0.00 N ATOM 0 H LYS A 24 -4.202 1.904 10.801 1.00 0.00 H new ATOM 0 HA LYS A 24 -3.647 4.806 10.642 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -4.859 4.930 12.866 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -5.880 4.637 11.472 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -5.787 2.159 12.031 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -4.956 2.585 13.513 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -7.471 4.095 12.968 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -7.671 2.384 13.288 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -6.022 2.877 15.315 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -6.554 4.531 15.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -7.929 3.382 16.696 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -8.854 3.796 15.334 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -8.338 2.193 15.555 1.00 0.00 H new ATOM 436 N GLN A 28 4.279 11.448 10.523 1.00 0.00 N ATOM 437 CA GLN A 28 4.336 12.422 9.440 1.00 0.00 C ATOM 438 C GLN A 28 4.317 11.724 8.085 1.00 0.00 C ATOM 439 O GLN A 28 4.007 10.535 7.996 1.00 0.00 O ATOM 440 CB GLN A 28 5.593 13.285 9.566 1.00 0.00 C ATOM 441 CG GLN A 28 5.645 14.098 10.850 1.00 0.00 C ATOM 442 CD GLN A 28 5.563 15.592 10.598 1.00 0.00 C ATOM 443 OE1 GLN A 28 5.999 16.082 9.557 1.00 0.00 O ATOM 444 NE2 GLN A 28 5.001 16.323 11.554 1.00 0.00 N ATOM 0 HA GLN A 28 3.458 13.063 9.513 1.00 0.00 H new ATOM 0 HB2 GLN A 28 6.472 12.642 9.517 1.00 0.00 H new ATOM 0 HB3 GLN A 28 5.646 13.963 8.714 1.00 0.00 H new ATOM 0 HG2 GLN A 28 4.823 13.797 11.500 1.00 0.00 H new ATOM 0 HG3 GLN A 28 6.570 13.873 11.381 1.00 0.00 H new ATOM 0 HE21 GLN A 28 4.653 15.874 12.401 1.00 0.00 H new ATOM 0 HE22 GLN A 28 4.917 17.333 11.441 1.00 0.00 H new ATOM 453 N TRP A 29 4.646 12.465 7.034 1.00 0.00 N ATOM 454 CA TRP A 29 4.662 11.909 5.688 1.00 0.00 C ATOM 455 C TRP A 29 5.737 10.840 5.547 1.00 0.00 C ATOM 456 O TRP A 29 5.477 9.743 5.054 1.00 0.00 O ATOM 457 CB TRP A 29 4.891 13.006 4.652 1.00 0.00 C ATOM 458 CG TRP A 29 4.854 12.488 3.251 1.00 0.00 C ATOM 459 CD1 TRP A 29 3.751 12.336 2.463 1.00 0.00 C ATOM 460 CD2 TRP A 29 5.968 12.033 2.476 1.00 0.00 C ATOM 461 NE1 TRP A 29 4.110 11.813 1.246 1.00 0.00 N ATOM 462 CE2 TRP A 29 5.467 11.621 1.228 1.00 0.00 C ATOM 463 CE3 TRP A 29 7.342 11.935 2.717 1.00 0.00 C ATOM 464 CZ2 TRP A 29 6.289 11.118 0.225 1.00 0.00 C ATOM 465 CZ3 TRP A 29 8.159 11.437 1.718 1.00 0.00 C ATOM 466 CH2 TRP A 29 7.630 11.033 0.486 1.00 0.00 C ATOM 0 H TRP A 29 4.905 13.450 7.088 1.00 0.00 H new ATOM 0 HA TRP A 29 3.689 11.450 5.512 1.00 0.00 H new ATOM 0 HB2 TRP A 29 4.130 13.778 4.771 1.00 0.00 H new ATOM 0 HB3 TRP A 29 5.856 13.479 4.836 1.00 0.00 H new ATOM 0 HD1 TRP A 29 2.743 12.590 2.754 1.00 0.00 H new ATOM 0 HE1 TRP A 29 3.471 11.602 0.480 1.00 0.00 H new ATOM 0 HE3 TRP A 29 7.757 12.242 3.665 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 5.884 10.806 -0.726 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 9.222 11.358 1.891 1.00 0.00 H new ATOM 0 HH2 TRP A 29 8.293 10.647 -0.274 1.00 0.00 H new ATOM 477 N VAL A 30 6.944 11.173 5.983 1.00 0.00 N ATOM 478 CA VAL A 30 8.068 10.246 5.911 1.00 0.00 C ATOM 479 C VAL A 30 7.727 8.935 6.601 1.00 0.00 C ATOM 480 O VAL A 30 8.202 7.869 6.212 1.00 0.00 O ATOM 481 CB VAL A 30 9.328 10.844 6.556 1.00 0.00 C ATOM 482 CG1 VAL A 30 9.969 11.855 5.623 1.00 0.00 C ATOM 483 CG2 VAL A 30 8.989 11.486 7.892 1.00 0.00 C ATOM 0 H VAL A 30 7.172 12.080 6.391 1.00 0.00 H new ATOM 0 HA VAL A 30 8.268 10.060 4.856 1.00 0.00 H new ATOM 0 HB VAL A 30 10.042 10.040 6.735 1.00 0.00 H new ATOM 0 HG11 VAL A 30 10.860 12.270 6.093 1.00 0.00 H new ATOM 0 HG12 VAL A 30 10.246 11.364 4.690 1.00 0.00 H new ATOM 0 HG13 VAL A 30 9.261 12.658 5.415 1.00 0.00 H new ATOM 0 HG21 VAL A 30 9.893 11.904 8.335 1.00 0.00 H new ATOM 0 HG22 VAL A 30 8.259 12.281 7.739 1.00 0.00 H new ATOM 0 HG23 VAL A 30 8.572 10.734 8.562 1.00 0.00 H new ATOM 493 N HIS A 31 6.897 9.023 7.629 1.00 0.00 N ATOM 494 CA HIS A 31 6.481 7.844 8.374 1.00 0.00 C ATOM 495 C HIS A 31 5.548 6.981 7.531 1.00 0.00 C ATOM 496 O HIS A 31 5.491 5.763 7.705 1.00 0.00 O ATOM 497 CB HIS A 31 5.788 8.250 9.675 1.00 0.00 C ATOM 498 CG HIS A 31 6.361 7.586 10.889 1.00 0.00 C ATOM 499 ND1 HIS A 31 7.147 8.247 11.809 1.00 0.00 N ATOM 500 CD2 HIS A 31 6.256 6.312 11.334 1.00 0.00 C ATOM 501 CE1 HIS A 31 7.503 7.409 12.766 1.00 0.00 C ATOM 502 NE2 HIS A 31 6.974 6.227 12.502 1.00 0.00 N ATOM 0 H HIS A 31 6.498 9.899 7.967 1.00 0.00 H new ATOM 0 HA HIS A 31 7.370 7.262 8.618 1.00 0.00 H new ATOM 0 HB2 HIS A 31 5.860 9.331 9.794 1.00 0.00 H new ATOM 0 HB3 HIS A 31 4.728 8.007 9.604 1.00 0.00 H new ATOM 0 HD2 HIS A 31 5.709 5.511 10.859 1.00 0.00 H new ATOM 0 HE1 HIS A 31 8.121 7.649 13.619 1.00 0.00 H new ATOM 0 HE2 HIS A 31 7.081 5.388 13.073 1.00 0.00 H new ATOM 511 N ALA A 32 4.822 7.616 6.614 1.00 0.00 N ATOM 512 CA ALA A 32 3.900 6.895 5.749 1.00 0.00 C ATOM 513 C ALA A 32 4.656 6.051 4.732 1.00 0.00 C ATOM 514 O ALA A 32 4.378 4.862 4.576 1.00 0.00 O ATOM 515 CB ALA A 32 2.968 7.867 5.044 1.00 0.00 C ATOM 0 H ALA A 32 4.856 8.623 6.453 1.00 0.00 H new ATOM 0 HA ALA A 32 3.304 6.225 6.369 1.00 0.00 H new ATOM 0 HB1 ALA A 32 2.284 7.314 4.401 1.00 0.00 H new ATOM 0 HB2 ALA A 32 2.397 8.426 5.785 1.00 0.00 H new ATOM 0 HB3 ALA A 32 3.554 8.560 4.440 1.00 0.00 H new ATOM 521 N ARG A 33 5.624 6.665 4.056 1.00 0.00 N ATOM 522 CA ARG A 33 6.428 5.958 3.069 1.00 0.00 C ATOM 523 C ARG A 33 7.185 4.814 3.729 1.00 0.00 C ATOM 524 O ARG A 33 7.311 3.730 3.157 1.00 0.00 O ATOM 525 CB ARG A 33 7.402 6.912 2.373 1.00 0.00 C ATOM 526 CG ARG A 33 8.376 7.593 3.317 1.00 0.00 C ATOM 527 CD ARG A 33 9.814 7.210 3.009 1.00 0.00 C ATOM 528 NE ARG A 33 10.521 8.267 2.290 1.00 0.00 N ATOM 529 CZ ARG A 33 11.841 8.303 2.143 1.00 0.00 C ATOM 530 NH1 ARG A 33 12.597 7.343 2.662 1.00 0.00 N ATOM 531 NH2 ARG A 33 12.409 9.298 1.475 1.00 0.00 N ATOM 0 H ARG A 33 5.868 7.648 4.175 1.00 0.00 H new ATOM 0 HA ARG A 33 5.759 5.547 2.313 1.00 0.00 H new ATOM 0 HB2 ARG A 33 7.966 6.357 1.623 1.00 0.00 H new ATOM 0 HB3 ARG A 33 6.832 7.675 1.843 1.00 0.00 H new ATOM 0 HG2 ARG A 33 8.262 8.674 3.240 1.00 0.00 H new ATOM 0 HG3 ARG A 33 8.138 7.320 4.345 1.00 0.00 H new ATOM 0 HD2 ARG A 33 10.338 6.992 3.939 1.00 0.00 H new ATOM 0 HD3 ARG A 33 9.826 6.297 2.414 1.00 0.00 H new ATOM 0 HE ARG A 33 9.970 9.020 1.878 1.00 0.00 H new ATOM 0 HH11 ARG A 33 12.165 6.575 3.175 1.00 0.00 H new ATOM 0 HH12 ARG A 33 13.610 7.374 2.547 1.00 0.00 H new ATOM 0 HH21 ARG A 33 11.832 10.037 1.073 1.00 0.00 H new ATOM 0 HH22 ARG A 33 13.423 9.324 1.363 1.00 0.00 H new ATOM 545 N TYR A 34 7.670 5.054 4.942 1.00 0.00 N ATOM 546 CA TYR A 34 8.392 4.030 5.684 1.00 0.00 C ATOM 547 C TYR A 34 7.469 2.854 5.962 1.00 0.00 C ATOM 548 O TYR A 34 7.888 1.697 5.929 1.00 0.00 O ATOM 549 CB TYR A 34 8.937 4.598 6.997 1.00 0.00 C ATOM 550 CG TYR A 34 10.442 4.505 7.119 1.00 0.00 C ATOM 551 CD1 TYR A 34 11.062 3.295 7.401 1.00 0.00 C ATOM 552 CD2 TYR A 34 11.242 5.629 6.952 1.00 0.00 C ATOM 553 CE1 TYR A 34 12.436 3.206 7.516 1.00 0.00 C ATOM 554 CE2 TYR A 34 12.617 5.549 7.064 1.00 0.00 C ATOM 555 CZ TYR A 34 13.209 4.335 7.345 1.00 0.00 C ATOM 556 OH TYR A 34 14.578 4.252 7.457 1.00 0.00 O ATOM 0 H TYR A 34 7.576 5.945 5.430 1.00 0.00 H new ATOM 0 HA TYR A 34 9.236 3.690 5.084 1.00 0.00 H new ATOM 0 HB2 TYR A 34 8.638 5.643 7.083 1.00 0.00 H new ATOM 0 HB3 TYR A 34 8.480 4.066 7.831 1.00 0.00 H new ATOM 0 HD1 TYR A 34 10.460 2.408 7.533 1.00 0.00 H new ATOM 0 HD2 TYR A 34 10.782 6.581 6.731 1.00 0.00 H new ATOM 0 HE1 TYR A 34 12.902 2.257 7.739 1.00 0.00 H new ATOM 0 HE2 TYR A 34 13.225 6.432 6.932 1.00 0.00 H new ATOM 0 HH TYR A 34 14.973 5.136 7.307 1.00 0.00 H new ATOM 566 N ALA A 35 6.200 3.163 6.207 1.00 0.00 N ATOM 567 CA ALA A 35 5.203 2.135 6.461 1.00 0.00 C ATOM 568 C ALA A 35 4.991 1.308 5.202 1.00 0.00 C ATOM 569 O ALA A 35 4.809 0.092 5.265 1.00 0.00 O ATOM 570 CB ALA A 35 3.894 2.763 6.918 1.00 0.00 C ATOM 0 H ALA A 35 5.840 4.117 6.235 1.00 0.00 H new ATOM 0 HA ALA A 35 5.559 1.482 7.258 1.00 0.00 H new ATOM 0 HB1 ALA A 35 3.160 1.979 7.103 1.00 0.00 H new ATOM 0 HB2 ALA A 35 4.062 3.327 7.835 1.00 0.00 H new ATOM 0 HB3 ALA A 35 3.522 3.433 6.143 1.00 0.00 H new ATOM 576 N CYS A 36 5.037 1.984 4.056 1.00 0.00 N ATOM 577 CA CYS A 36 4.873 1.329 2.772 1.00 0.00 C ATOM 578 C CYS A 36 5.931 0.254 2.600 1.00 0.00 C ATOM 579 O CYS A 36 5.630 -0.885 2.245 1.00 0.00 O ATOM 580 CB CYS A 36 4.990 2.346 1.640 1.00 0.00 C ATOM 581 SG CYS A 36 4.067 3.889 1.924 1.00 0.00 S ATOM 0 H CYS A 36 5.188 2.991 3.997 1.00 0.00 H new ATOM 0 HA CYS A 36 3.884 0.872 2.738 1.00 0.00 H new ATOM 0 HB2 CYS A 36 6.042 2.588 1.491 1.00 0.00 H new ATOM 0 HB3 CYS A 36 4.635 1.888 0.717 1.00 0.00 H new ATOM 586 N ASP A 37 7.175 0.634 2.860 1.00 0.00 N ATOM 587 CA ASP A 37 8.297 -0.286 2.744 1.00 0.00 C ATOM 588 C ASP A 37 8.071 -1.513 3.620 1.00 0.00 C ATOM 589 O ASP A 37 8.458 -2.625 3.262 1.00 0.00 O ATOM 590 CB ASP A 37 9.600 0.409 3.140 1.00 0.00 C ATOM 591 CG ASP A 37 10.538 0.593 1.963 1.00 0.00 C ATOM 592 OD1 ASP A 37 10.321 1.536 1.172 1.00 0.00 O ATOM 593 OD2 ASP A 37 11.490 -0.205 1.831 1.00 0.00 O ATOM 0 H ASP A 37 7.432 1.576 3.154 1.00 0.00 H new ATOM 0 HA ASP A 37 8.373 -0.607 1.705 1.00 0.00 H new ATOM 0 HB2 ASP A 37 9.372 1.382 3.575 1.00 0.00 H new ATOM 0 HB3 ASP A 37 10.100 -0.176 3.912 1.00 0.00 H new ATOM 598 N ASP A 38 7.437 -1.299 4.769 1.00 0.00 N ATOM 599 CA ASP A 38 7.150 -2.384 5.701 1.00 0.00 C ATOM 600 C ASP A 38 6.062 -3.300 5.147 1.00 0.00 C ATOM 601 O ASP A 38 5.978 -4.472 5.514 1.00 0.00 O ATOM 602 CB ASP A 38 6.719 -1.820 7.056 1.00 0.00 C ATOM 603 CG ASP A 38 7.273 -2.622 8.218 1.00 0.00 C ATOM 604 OD1 ASP A 38 8.512 -2.666 8.371 1.00 0.00 O ATOM 605 OD2 ASP A 38 6.468 -3.204 8.975 1.00 0.00 O ATOM 0 H ASP A 38 7.112 -0.383 5.077 1.00 0.00 H new ATOM 0 HA ASP A 38 8.060 -2.969 5.833 1.00 0.00 H new ATOM 0 HB2 ASP A 38 7.054 -0.786 7.139 1.00 0.00 H new ATOM 0 HB3 ASP A 38 5.631 -1.808 7.112 1.00 0.00 H new ATOM 610 N MET A 39 5.235 -2.757 4.258 1.00 0.00 N ATOM 611 CA MET A 39 4.155 -3.521 3.646 1.00 0.00 C ATOM 612 C MET A 39 4.558 -3.982 2.250 1.00 0.00 C ATOM 613 O MET A 39 3.839 -4.742 1.601 1.00 0.00 O ATOM 614 CB MET A 39 2.881 -2.679 3.572 1.00 0.00 C ATOM 615 CG MET A 39 2.370 -2.227 4.931 1.00 0.00 C ATOM 616 SD MET A 39 1.961 -3.611 6.013 1.00 0.00 S ATOM 617 CE MET A 39 2.526 -2.984 7.592 1.00 0.00 C ATOM 0 H MET A 39 5.294 -1.788 3.945 1.00 0.00 H new ATOM 0 HA MET A 39 3.960 -4.398 4.264 1.00 0.00 H new ATOM 0 HB2 MET A 39 3.071 -1.801 2.954 1.00 0.00 H new ATOM 0 HB3 MET A 39 2.102 -3.257 3.074 1.00 0.00 H new ATOM 0 HG2 MET A 39 3.126 -1.606 5.411 1.00 0.00 H new ATOM 0 HG3 MET A 39 1.486 -1.604 4.794 1.00 0.00 H new ATOM 0 HE1 MET A 39 1.863 -3.337 8.382 1.00 0.00 H new ATOM 0 HE2 MET A 39 3.539 -3.338 7.783 1.00 0.00 H new ATOM 0 HE3 MET A 39 2.520 -1.894 7.574 1.00 0.00 H new ATOM 627 N GLU A 40 5.718 -3.510 1.805 1.00 0.00 N ATOM 628 CA GLU A 40 6.252 -3.852 0.491 1.00 0.00 C ATOM 629 C GLU A 40 5.401 -3.254 -0.622 1.00 0.00 C ATOM 630 O GLU A 40 5.021 -3.946 -1.567 1.00 0.00 O ATOM 631 CB GLU A 40 6.338 -5.368 0.325 1.00 0.00 C ATOM 632 CG GLU A 40 7.467 -6.007 1.116 1.00 0.00 C ATOM 633 CD GLU A 40 8.271 -6.993 0.291 1.00 0.00 C ATOM 634 OE1 GLU A 40 7.785 -8.124 0.076 1.00 0.00 O ATOM 635 OE2 GLU A 40 9.388 -6.634 -0.140 1.00 0.00 O ATOM 0 H GLU A 40 6.313 -2.881 2.344 1.00 0.00 H new ATOM 0 HA GLU A 40 7.255 -3.430 0.420 1.00 0.00 H new ATOM 0 HB2 GLU A 40 5.392 -5.813 0.635 1.00 0.00 H new ATOM 0 HB3 GLU A 40 6.469 -5.602 -0.732 1.00 0.00 H new ATOM 0 HG2 GLU A 40 8.130 -5.227 1.491 1.00 0.00 H new ATOM 0 HG3 GLU A 40 7.053 -6.518 1.985 1.00 0.00 H new ATOM 642 N GLY A 41 5.108 -1.967 -0.502 1.00 0.00 N ATOM 643 CA GLY A 41 4.304 -1.295 -1.504 1.00 0.00 C ATOM 644 C GLY A 41 4.886 0.029 -1.944 1.00 0.00 C ATOM 645 O GLY A 41 6.035 0.101 -2.383 1.00 0.00 O ATOM 0 H GLY A 41 5.412 -1.376 0.271 1.00 0.00 H new ATOM 0 HA2 GLY A 41 4.199 -1.945 -2.373 1.00 0.00 H new ATOM 0 HA3 GLY A 41 3.303 -1.130 -1.107 1.00 0.00 H new ATOM 649 N GLN A 42 4.077 1.074 -1.848 1.00 0.00 N ATOM 650 CA GLN A 42 4.483 2.410 -2.258 1.00 0.00 C ATOM 651 C GLN A 42 3.568 3.422 -1.611 1.00 0.00 C ATOM 652 O GLN A 42 2.464 3.076 -1.205 1.00 0.00 O ATOM 653 CB GLN A 42 4.390 2.550 -3.778 1.00 0.00 C ATOM 654 CG GLN A 42 4.655 3.960 -4.281 1.00 0.00 C ATOM 655 CD GLN A 42 6.126 4.325 -4.256 1.00 0.00 C ATOM 656 OE1 GLN A 42 6.994 3.452 -4.231 1.00 0.00 O ATOM 657 NE2 GLN A 42 6.415 5.620 -4.262 1.00 0.00 N ATOM 0 H GLN A 42 3.125 1.020 -1.485 1.00 0.00 H new ATOM 0 HA GLN A 42 5.514 2.580 -1.949 1.00 0.00 H new ATOM 0 HB2 GLN A 42 5.104 1.869 -4.241 1.00 0.00 H new ATOM 0 HB3 GLN A 42 3.397 2.239 -4.102 1.00 0.00 H new ATOM 0 HG2 GLN A 42 4.279 4.054 -5.300 1.00 0.00 H new ATOM 0 HG3 GLN A 42 4.099 4.670 -3.669 1.00 0.00 H new ATOM 0 HE21 GLN A 42 5.664 6.310 -4.283 1.00 0.00 H new ATOM 0 HE22 GLN A 42 7.388 5.925 -4.246 1.00 0.00 H new ATOM 666 N LEU A 43 3.985 4.671 -1.520 1.00 0.00 N ATOM 667 CA LEU A 43 3.104 5.642 -0.930 1.00 0.00 C ATOM 668 C LEU A 43 2.046 5.969 -1.971 1.00 0.00 C ATOM 669 O LEU A 43 2.336 6.536 -3.023 1.00 0.00 O ATOM 670 CB LEU A 43 3.888 6.897 -0.523 1.00 0.00 C ATOM 671 CG LEU A 43 3.337 7.703 0.663 1.00 0.00 C ATOM 672 CD1 LEU A 43 2.634 6.813 1.667 1.00 0.00 C ATOM 673 CD2 LEU A 43 4.458 8.468 1.343 1.00 0.00 C ATOM 0 H LEU A 43 4.890 5.021 -1.834 1.00 0.00 H new ATOM 0 HA LEU A 43 2.638 5.252 -0.025 1.00 0.00 H new ATOM 0 HB2 LEU A 43 4.909 6.598 -0.285 1.00 0.00 H new ATOM 0 HB3 LEU A 43 3.943 7.559 -1.387 1.00 0.00 H new ATOM 0 HG LEU A 43 2.604 8.408 0.271 1.00 0.00 H new ATOM 0 HD11 LEU A 43 2.258 7.420 2.491 1.00 0.00 H new ATOM 0 HD12 LEU A 43 1.801 6.304 1.182 1.00 0.00 H new ATOM 0 HD13 LEU A 43 3.336 6.073 2.052 1.00 0.00 H new ATOM 0 HD21 LEU A 43 4.055 9.035 2.182 1.00 0.00 H new ATOM 0 HD22 LEU A 43 5.209 7.766 1.707 1.00 0.00 H new ATOM 0 HD23 LEU A 43 4.917 9.152 0.629 1.00 0.00 H new ATOM 685 N VAL A 44 0.827 5.556 -1.648 1.00 0.00 N ATOM 686 CA VAL A 44 -0.350 5.719 -2.499 1.00 0.00 C ATOM 687 C VAL A 44 -0.095 6.531 -3.758 1.00 0.00 C ATOM 688 O VAL A 44 -0.005 5.981 -4.856 1.00 0.00 O ATOM 689 CB VAL A 44 -1.498 6.364 -1.719 1.00 0.00 C ATOM 690 CG1 VAL A 44 -2.664 5.400 -1.613 1.00 0.00 C ATOM 691 CG2 VAL A 44 -1.020 6.798 -0.344 1.00 0.00 C ATOM 0 H VAL A 44 0.622 5.087 -0.766 1.00 0.00 H new ATOM 0 HA VAL A 44 -0.617 4.710 -2.814 1.00 0.00 H new ATOM 0 HB VAL A 44 -1.838 7.251 -2.254 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -3.475 5.870 -1.056 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -3.013 5.140 -2.612 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -2.343 4.497 -1.094 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -1.846 7.255 0.201 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -0.659 5.929 0.207 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -0.212 7.521 -0.451 1.00 0.00 H new ATOM 701 N SER A 45 -0.017 7.840 -3.593 1.00 0.00 N ATOM 702 CA SER A 45 0.189 8.742 -4.718 1.00 0.00 C ATOM 703 C SER A 45 -1.020 8.680 -5.644 1.00 0.00 C ATOM 704 O SER A 45 -0.893 8.411 -6.839 1.00 0.00 O ATOM 705 CB SER A 45 1.462 8.375 -5.483 1.00 0.00 C ATOM 706 OG SER A 45 2.236 9.527 -5.769 1.00 0.00 O ATOM 0 H SER A 45 -0.093 8.305 -2.689 1.00 0.00 H new ATOM 0 HA SER A 45 0.305 9.758 -4.340 1.00 0.00 H new ATOM 0 HB2 SER A 45 2.053 7.673 -4.895 1.00 0.00 H new ATOM 0 HB3 SER A 45 1.199 7.870 -6.412 1.00 0.00 H new ATOM 0 HG SER A 45 2.134 9.763 -6.715 1.00 0.00 H new ATOM 712 N ILE A 46 -2.195 8.911 -5.065 1.00 0.00 N ATOM 713 CA ILE A 46 -3.451 8.865 -5.809 1.00 0.00 C ATOM 714 C ILE A 46 -3.384 9.706 -7.076 1.00 0.00 C ATOM 715 O ILE A 46 -2.809 10.795 -7.085 1.00 0.00 O ATOM 716 CB ILE A 46 -4.654 9.338 -4.957 1.00 0.00 C ATOM 717 CG1 ILE A 46 -4.190 9.916 -3.612 1.00 0.00 C ATOM 718 CG2 ILE A 46 -5.632 8.191 -4.745 1.00 0.00 C ATOM 719 CD1 ILE A 46 -3.878 8.867 -2.561 1.00 0.00 C ATOM 0 H ILE A 46 -2.304 9.134 -4.076 1.00 0.00 H new ATOM 0 HA ILE A 46 -3.600 7.819 -6.076 1.00 0.00 H new ATOM 0 HB ILE A 46 -5.164 10.135 -5.499 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -3.301 10.524 -3.778 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -4.964 10.581 -3.228 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -6.473 8.537 -4.144 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -5.995 7.840 -5.711 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -5.128 7.374 -4.228 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -3.558 9.357 -1.642 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -4.770 8.273 -2.364 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -3.082 8.216 -2.922 1.00 0.00 H new ATOM 731 N HIS A 47 -3.980 9.189 -8.146 1.00 0.00 N ATOM 732 CA HIS A 47 -3.997 9.882 -9.428 1.00 0.00 C ATOM 733 C HIS A 47 -5.402 9.904 -10.013 1.00 0.00 C ATOM 734 O HIS A 47 -5.629 10.464 -11.086 1.00 0.00 O ATOM 735 CB HIS A 47 -3.038 9.208 -10.408 1.00 0.00 C ATOM 736 CG HIS A 47 -3.080 7.712 -10.357 1.00 0.00 C ATOM 737 ND1 HIS A 47 -4.228 7.000 -10.081 1.00 0.00 N ATOM 738 CD2 HIS A 47 -2.106 6.791 -10.552 1.00 0.00 C ATOM 739 CE1 HIS A 47 -3.959 5.707 -10.106 1.00 0.00 C ATOM 740 NE2 HIS A 47 -2.678 5.553 -10.389 1.00 0.00 N ATOM 0 H HIS A 47 -4.459 8.289 -8.149 1.00 0.00 H new ATOM 0 HA HIS A 47 -3.674 10.910 -9.262 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -3.277 9.535 -11.420 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -2.022 9.542 -10.197 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -1.072 6.993 -10.791 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -4.666 4.911 -9.926 1.00 0.00 H new ATOM 0 HE2 HIS A 47 -2.193 4.660 -10.473 1.00 0.00 H new ATOM 749 N SER A 48 -6.347 9.296 -9.302 1.00 0.00 N ATOM 750 CA SER A 48 -7.727 9.250 -9.751 1.00 0.00 C ATOM 751 C SER A 48 -8.640 9.894 -8.720 1.00 0.00 C ATOM 752 O SER A 48 -8.683 9.461 -7.569 1.00 0.00 O ATOM 753 CB SER A 48 -8.159 7.804 -10.003 1.00 0.00 C ATOM 754 OG SER A 48 -8.133 7.497 -11.386 1.00 0.00 O ATOM 0 H SER A 48 -6.178 8.829 -8.411 1.00 0.00 H new ATOM 0 HA SER A 48 -7.804 9.806 -10.685 1.00 0.00 H new ATOM 0 HB2 SER A 48 -7.498 7.125 -9.464 1.00 0.00 H new ATOM 0 HB3 SER A 48 -9.164 7.648 -9.612 1.00 0.00 H new ATOM 0 HG SER A 48 -8.411 6.567 -11.520 1.00 0.00 H new ATOM 760 N PRO A 49 -9.387 10.941 -9.115 1.00 0.00 N ATOM 761 CA PRO A 49 -10.301 11.632 -8.209 1.00 0.00 C ATOM 762 C PRO A 49 -11.150 10.648 -7.416 1.00 0.00 C ATOM 763 O PRO A 49 -11.562 10.930 -6.291 1.00 0.00 O ATOM 764 CB PRO A 49 -11.164 12.464 -9.157 1.00 0.00 C ATOM 765 CG PRO A 49 -10.272 12.743 -10.317 1.00 0.00 C ATOM 766 CD PRO A 49 -9.402 11.525 -10.471 1.00 0.00 C ATOM 0 HA PRO A 49 -9.784 12.231 -7.459 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -12.057 11.919 -9.464 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -11.500 13.386 -8.683 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -10.853 12.925 -11.221 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -9.669 13.634 -10.141 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -9.811 10.829 -11.204 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -8.399 11.788 -10.806 1.00 0.00 H new ATOM 774 N GLU A 50 -11.390 9.482 -8.010 1.00 0.00 N ATOM 775 CA GLU A 50 -12.168 8.440 -7.358 1.00 0.00 C ATOM 776 C GLU A 50 -11.369 7.789 -6.245 1.00 0.00 C ATOM 777 O GLU A 50 -11.878 7.577 -5.147 1.00 0.00 O ATOM 778 CB GLU A 50 -12.593 7.372 -8.364 1.00 0.00 C ATOM 779 CG GLU A 50 -13.284 6.184 -7.722 1.00 0.00 C ATOM 780 CD GLU A 50 -13.266 4.952 -8.604 1.00 0.00 C ATOM 781 OE1 GLU A 50 -12.167 4.408 -8.842 1.00 0.00 O ATOM 782 OE2 GLU A 50 -14.351 4.530 -9.057 1.00 0.00 O ATOM 0 H GLU A 50 -11.055 9.238 -8.942 1.00 0.00 H new ATOM 0 HA GLU A 50 -13.057 8.908 -6.935 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -13.263 7.820 -9.098 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -11.714 7.023 -8.906 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -12.798 5.954 -6.774 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -14.317 6.448 -7.495 1.00 0.00 H new ATOM 789 N GLU A 51 -10.116 7.463 -6.542 1.00 0.00 N ATOM 790 CA GLU A 51 -9.250 6.826 -5.569 1.00 0.00 C ATOM 791 C GLU A 51 -9.016 7.745 -4.377 1.00 0.00 C ATOM 792 O GLU A 51 -9.134 7.323 -3.228 1.00 0.00 O ATOM 793 CB GLU A 51 -7.920 6.436 -6.215 1.00 0.00 C ATOM 794 CG GLU A 51 -8.035 5.275 -7.190 1.00 0.00 C ATOM 795 CD GLU A 51 -8.375 3.968 -6.502 1.00 0.00 C ATOM 796 OE1 GLU A 51 -7.647 3.586 -5.561 1.00 0.00 O ATOM 797 OE2 GLU A 51 -9.366 3.325 -6.905 1.00 0.00 O ATOM 0 H GLU A 51 -9.682 7.631 -7.449 1.00 0.00 H new ATOM 0 HA GLU A 51 -9.740 5.920 -5.211 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -7.513 7.301 -6.739 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -7.208 6.173 -5.432 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -8.802 5.502 -7.931 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -7.094 5.164 -7.729 1.00 0.00 H new ATOM 804 N GLN A 52 -8.701 9.006 -4.659 1.00 0.00 N ATOM 805 CA GLN A 52 -8.471 9.983 -3.603 1.00 0.00 C ATOM 806 C GLN A 52 -9.724 10.126 -2.748 1.00 0.00 C ATOM 807 O GLN A 52 -9.647 10.216 -1.524 1.00 0.00 O ATOM 808 CB GLN A 52 -8.060 11.337 -4.197 1.00 0.00 C ATOM 809 CG GLN A 52 -9.231 12.239 -4.561 1.00 0.00 C ATOM 810 CD GLN A 52 -9.505 13.308 -3.516 1.00 0.00 C ATOM 811 OE1 GLN A 52 -10.129 14.328 -3.811 1.00 0.00 O ATOM 812 NE2 GLN A 52 -9.042 13.084 -2.290 1.00 0.00 N ATOM 0 H GLN A 52 -8.600 9.373 -5.605 1.00 0.00 H new ATOM 0 HA GLN A 52 -7.654 9.633 -2.972 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -7.424 11.857 -3.481 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -7.459 11.162 -5.089 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -9.029 12.718 -5.519 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -10.125 11.629 -4.692 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -8.530 12.226 -2.087 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -9.199 13.771 -1.552 1.00 0.00 H new ATOM 821 N ASP A 53 -10.876 10.119 -3.409 1.00 0.00 N ATOM 822 CA ASP A 53 -12.159 10.217 -2.734 1.00 0.00 C ATOM 823 C ASP A 53 -12.428 8.935 -1.963 1.00 0.00 C ATOM 824 O ASP A 53 -13.035 8.948 -0.894 1.00 0.00 O ATOM 825 CB ASP A 53 -13.278 10.470 -3.745 1.00 0.00 C ATOM 826 CG ASP A 53 -14.572 10.897 -3.081 1.00 0.00 C ATOM 827 OD1 ASP A 53 -14.523 11.774 -2.193 1.00 0.00 O ATOM 828 OD2 ASP A 53 -15.636 10.355 -3.449 1.00 0.00 O ATOM 0 H ASP A 53 -10.944 10.045 -4.424 1.00 0.00 H new ATOM 0 HA ASP A 53 -12.130 11.056 -2.038 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -12.962 11.241 -4.447 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -13.452 9.563 -4.324 1.00 0.00 H new ATOM 833 N PHE A 54 -11.977 7.827 -2.538 1.00 0.00 N ATOM 834 CA PHE A 54 -12.158 6.515 -1.948 1.00 0.00 C ATOM 835 C PHE A 54 -11.514 6.446 -0.572 1.00 0.00 C ATOM 836 O PHE A 54 -12.150 6.054 0.407 1.00 0.00 O ATOM 837 CB PHE A 54 -11.516 5.476 -2.865 1.00 0.00 C ATOM 838 CG PHE A 54 -12.476 4.465 -3.406 1.00 0.00 C ATOM 839 CD1 PHE A 54 -12.727 3.294 -2.717 1.00 0.00 C ATOM 840 CD2 PHE A 54 -13.122 4.686 -4.610 1.00 0.00 C ATOM 841 CE1 PHE A 54 -13.608 2.355 -3.218 1.00 0.00 C ATOM 842 CE2 PHE A 54 -14.003 3.755 -5.119 1.00 0.00 C ATOM 843 CZ PHE A 54 -14.248 2.586 -4.422 1.00 0.00 C ATOM 0 H PHE A 54 -11.476 7.817 -3.426 1.00 0.00 H new ATOM 0 HA PHE A 54 -13.224 6.318 -1.835 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -11.037 5.989 -3.699 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -10.730 4.958 -2.316 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -12.229 3.111 -1.776 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -12.934 5.598 -5.157 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -13.796 1.443 -2.671 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -14.500 3.938 -6.060 1.00 0.00 H new ATOM 0 HZ PHE A 54 -14.938 1.855 -4.817 1.00 0.00 H new ATOM 853 N LEU A 55 -10.257 6.852 -0.502 1.00 0.00 N ATOM 854 CA LEU A 55 -9.527 6.865 0.756 1.00 0.00 C ATOM 855 C LEU A 55 -10.023 8.002 1.631 1.00 0.00 C ATOM 856 O LEU A 55 -10.063 7.890 2.855 1.00 0.00 O ATOM 857 CB LEU A 55 -8.033 7.018 0.510 1.00 0.00 C ATOM 858 CG LEU A 55 -7.667 7.921 -0.660 1.00 0.00 C ATOM 859 CD1 LEU A 55 -7.099 9.233 -0.155 1.00 0.00 C ATOM 860 CD2 LEU A 55 -6.683 7.220 -1.575 1.00 0.00 C ATOM 0 H LEU A 55 -9.719 7.178 -1.305 1.00 0.00 H new ATOM 0 HA LEU A 55 -9.700 5.916 1.264 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -7.569 7.412 1.414 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -7.605 6.031 0.336 1.00 0.00 H new ATOM 0 HG LEU A 55 -8.568 8.140 -1.233 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -6.842 9.868 -1.003 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -7.841 9.737 0.464 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -6.205 9.038 0.437 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -6.429 7.876 -2.408 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -5.779 6.975 -1.018 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -7.132 6.304 -1.959 1.00 0.00 H new ATOM 872 N THR A 56 -10.398 9.099 0.983 1.00 0.00 N ATOM 873 CA THR A 56 -10.896 10.270 1.685 1.00 0.00 C ATOM 874 C THR A 56 -12.146 9.904 2.473 1.00 0.00 C ATOM 875 O THR A 56 -12.323 10.326 3.616 1.00 0.00 O ATOM 876 CB THR A 56 -11.194 11.399 0.685 1.00 0.00 C ATOM 877 OG1 THR A 56 -10.319 12.494 0.880 1.00 0.00 O ATOM 878 CG2 THR A 56 -12.608 11.928 0.764 1.00 0.00 C ATOM 0 H THR A 56 -10.365 9.199 -0.032 1.00 0.00 H new ATOM 0 HA THR A 56 -10.136 10.623 2.382 1.00 0.00 H new ATOM 0 HB THR A 56 -11.050 10.945 -0.295 1.00 0.00 H new ATOM 0 HG1 THR A 56 -10.527 13.198 0.231 1.00 0.00 H new ATOM 0 HG21 THR A 56 -12.741 12.721 0.029 1.00 0.00 H new ATOM 0 HG22 THR A 56 -13.311 11.121 0.558 1.00 0.00 H new ATOM 0 HG23 THR A 56 -12.793 12.324 1.763 1.00 0.00 H new ATOM 886 N LYS A 57 -13.000 9.096 1.854 1.00 0.00 N ATOM 887 CA LYS A 57 -14.222 8.645 2.492 1.00 0.00 C ATOM 888 C LYS A 57 -13.889 7.596 3.540 1.00 0.00 C ATOM 889 O LYS A 57 -14.525 7.525 4.593 1.00 0.00 O ATOM 890 CB LYS A 57 -15.188 8.067 1.455 1.00 0.00 C ATOM 891 CG LYS A 57 -16.146 9.097 0.878 1.00 0.00 C ATOM 892 CD LYS A 57 -17.267 8.435 0.092 1.00 0.00 C ATOM 893 CE LYS A 57 -16.899 8.277 -1.374 1.00 0.00 C ATOM 894 NZ LYS A 57 -17.773 7.285 -2.061 1.00 0.00 N ATOM 0 H LYS A 57 -12.864 8.741 0.907 1.00 0.00 H new ATOM 0 HA LYS A 57 -14.706 9.495 2.973 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -14.613 7.622 0.643 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -15.764 7.264 1.915 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -16.570 9.694 1.685 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -15.599 9.781 0.229 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -17.486 7.457 0.521 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -18.175 9.031 0.178 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -16.981 9.242 -1.875 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -15.859 7.962 -1.456 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -17.490 7.206 -3.059 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -17.676 6.358 -1.599 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -18.763 7.598 -2.006 1.00 0.00 H new ATOM 907 N HIS A 58 -12.873 6.789 3.245 1.00 0.00 N ATOM 908 CA HIS A 58 -12.436 5.748 4.161 1.00 0.00 C ATOM 909 C HIS A 58 -11.777 6.363 5.390 1.00 0.00 C ATOM 910 O HIS A 58 -11.772 5.767 6.468 1.00 0.00 O ATOM 911 CB HIS A 58 -11.460 4.797 3.464 1.00 0.00 C ATOM 912 CG HIS A 58 -11.508 3.398 3.993 1.00 0.00 C ATOM 913 ND1 HIS A 58 -11.954 2.326 3.249 1.00 0.00 N ATOM 914 CD2 HIS A 58 -11.161 2.895 5.202 1.00 0.00 C ATOM 915 CE1 HIS A 58 -11.881 1.225 3.977 1.00 0.00 C ATOM 916 NE2 HIS A 58 -11.403 1.544 5.165 1.00 0.00 N ATOM 0 H HIS A 58 -12.339 6.839 2.377 1.00 0.00 H new ATOM 0 HA HIS A 58 -13.311 5.181 4.478 1.00 0.00 H new ATOM 0 HB2 HIS A 58 -11.681 4.781 2.397 1.00 0.00 H new ATOM 0 HB3 HIS A 58 -10.447 5.184 3.574 1.00 0.00 H new ATOM 0 HD1 HIS A 58 -12.288 2.375 2.287 1.00 0.00 H new ATOM 0 HD2 HIS A 58 -10.767 3.453 6.039 1.00 0.00 H new ATOM 0 HE1 HIS A 58 -12.164 0.234 3.655 1.00 0.00 H new ATOM 978 N GLY A 63 -7.144 12.041 8.533 1.00 0.00 N ATOM 979 CA GLY A 63 -6.872 12.067 7.107 1.00 0.00 C ATOM 980 C GLY A 63 -6.003 10.909 6.659 1.00 0.00 C ATOM 981 O GLY A 63 -5.848 9.923 7.381 1.00 0.00 O ATOM 0 HA2 GLY A 63 -7.815 12.042 6.560 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -6.380 13.006 6.852 1.00 0.00 H new ATOM 985 N SER A 64 -5.436 11.027 5.463 1.00 0.00 N ATOM 986 CA SER A 64 -4.579 9.983 4.918 1.00 0.00 C ATOM 987 C SER A 64 -3.308 10.577 4.314 1.00 0.00 C ATOM 988 O SER A 64 -3.273 11.753 3.952 1.00 0.00 O ATOM 989 CB SER A 64 -5.337 9.180 3.859 1.00 0.00 C ATOM 990 OG SER A 64 -4.835 9.444 2.559 1.00 0.00 O ATOM 0 H SER A 64 -5.555 11.836 4.853 1.00 0.00 H new ATOM 0 HA SER A 64 -4.291 9.319 5.733 1.00 0.00 H new ATOM 0 HB2 SER A 64 -5.251 8.115 4.076 1.00 0.00 H new ATOM 0 HB3 SER A 64 -6.397 9.429 3.900 1.00 0.00 H new ATOM 0 HG SER A 64 -5.325 10.196 2.166 1.00 0.00 H new ATOM 996 N TRP A 65 -2.272 9.752 4.197 1.00 0.00 N ATOM 997 CA TRP A 65 -1.003 10.186 3.624 1.00 0.00 C ATOM 998 C TRP A 65 -0.882 9.664 2.202 1.00 0.00 C ATOM 999 O TRP A 65 -1.136 8.491 1.943 1.00 0.00 O ATOM 1000 CB TRP A 65 0.168 9.675 4.467 1.00 0.00 C ATOM 1001 CG TRP A 65 0.616 10.636 5.531 1.00 0.00 C ATOM 1002 CD1 TRP A 65 1.252 11.831 5.347 1.00 0.00 C ATOM 1003 CD2 TRP A 65 0.472 10.475 6.947 1.00 0.00 C ATOM 1004 NE1 TRP A 65 1.512 12.419 6.562 1.00 0.00 N ATOM 1005 CE2 TRP A 65 1.041 11.608 7.558 1.00 0.00 C ATOM 1006 CE3 TRP A 65 -0.084 9.485 7.759 1.00 0.00 C ATOM 1007 CZ2 TRP A 65 1.069 11.774 8.940 1.00 0.00 C ATOM 1008 CZ3 TRP A 65 -0.057 9.651 9.130 1.00 0.00 C ATOM 1009 CH2 TRP A 65 0.517 10.789 9.709 1.00 0.00 C ATOM 0 H TRP A 65 -2.287 8.776 4.493 1.00 0.00 H new ATOM 0 HA TRP A 65 -0.975 11.276 3.615 1.00 0.00 H new ATOM 0 HB2 TRP A 65 -0.119 8.735 4.938 1.00 0.00 H new ATOM 0 HB3 TRP A 65 1.010 9.458 3.809 1.00 0.00 H new ATOM 0 HD1 TRP A 65 1.512 12.252 4.387 1.00 0.00 H new ATOM 0 HE1 TRP A 65 1.980 13.315 6.699 1.00 0.00 H new ATOM 0 HE3 TRP A 65 -0.528 8.603 7.322 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 1.512 12.651 9.389 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 -0.486 8.890 9.766 1.00 0.00 H new ATOM 0 HH2 TRP A 65 0.524 10.890 10.784 1.00 0.00 H new ATOM 1020 N ILE A 66 -0.508 10.538 1.281 1.00 0.00 N ATOM 1021 CA ILE A 66 -0.376 10.152 -0.116 1.00 0.00 C ATOM 1022 C ILE A 66 1.066 10.236 -0.586 1.00 0.00 C ATOM 1023 O ILE A 66 1.915 10.811 0.091 1.00 0.00 O ATOM 1024 CB ILE A 66 -1.258 11.019 -1.028 1.00 0.00 C ATOM 1025 CG1 ILE A 66 -0.579 12.364 -1.301 1.00 0.00 C ATOM 1026 CG2 ILE A 66 -2.627 11.217 -0.392 1.00 0.00 C ATOM 1027 CD1 ILE A 66 -1.520 13.433 -1.801 1.00 0.00 C ATOM 0 H ILE A 66 -0.291 11.516 1.474 1.00 0.00 H new ATOM 0 HA ILE A 66 -0.709 9.116 -0.183 1.00 0.00 H new ATOM 0 HB ILE A 66 -1.393 10.510 -1.982 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -0.103 12.712 -0.384 1.00 0.00 H new ATOM 0 HG13 ILE A 66 0.213 12.218 -2.036 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -3.246 11.833 -1.045 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -3.105 10.248 -0.247 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -2.512 11.712 0.572 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -0.965 14.356 -1.971 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -1.977 13.107 -2.735 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -2.298 13.609 -1.058 1.00 0.00 H new ATOM 1039 N GLY A 67 1.329 9.652 -1.746 1.00 0.00 N ATOM 1040 CA GLY A 67 2.667 9.662 -2.303 1.00 0.00 C ATOM 1041 C GLY A 67 3.052 11.003 -2.896 1.00 0.00 C ATOM 1042 O GLY A 67 3.449 11.080 -4.057 1.00 0.00 O ATOM 0 H GLY A 67 0.635 9.168 -2.315 1.00 0.00 H new ATOM 0 HA2 GLY A 67 3.381 9.397 -1.523 1.00 0.00 H new ATOM 0 HA3 GLY A 67 2.739 8.896 -3.075 1.00 0.00 H new ATOM 1046 N LEU A 68 2.936 12.063 -2.102 1.00 0.00 N ATOM 1047 CA LEU A 68 3.277 13.400 -2.569 1.00 0.00 C ATOM 1048 C LEU A 68 4.283 14.089 -1.650 1.00 0.00 C ATOM 1049 O LEU A 68 4.070 14.205 -0.444 1.00 0.00 O ATOM 1050 CB LEU A 68 2.019 14.267 -2.682 1.00 0.00 C ATOM 1051 CG LEU A 68 2.171 15.532 -3.533 1.00 0.00 C ATOM 1052 CD1 LEU A 68 3.004 16.580 -2.813 1.00 0.00 C ATOM 1053 CD2 LEU A 68 2.792 15.196 -4.875 1.00 0.00 C ATOM 0 H LEU A 68 2.610 12.022 -1.136 1.00 0.00 H new ATOM 0 HA LEU A 68 3.736 13.285 -3.551 1.00 0.00 H new ATOM 0 HB2 LEU A 68 1.216 13.661 -3.102 1.00 0.00 H new ATOM 0 HB3 LEU A 68 1.707 14.559 -1.679 1.00 0.00 H new ATOM 0 HG LEU A 68 1.177 15.946 -3.700 1.00 0.00 H new ATOM 0 HD11 LEU A 68 3.095 17.467 -3.441 1.00 0.00 H new ATOM 0 HD12 LEU A 68 2.519 16.848 -1.874 1.00 0.00 H new ATOM 0 HD13 LEU A 68 3.996 16.178 -2.607 1.00 0.00 H new ATOM 0 HD21 LEU A 68 2.893 16.106 -5.467 1.00 0.00 H new ATOM 0 HD22 LEU A 68 3.776 14.753 -4.720 1.00 0.00 H new ATOM 0 HD23 LEU A 68 2.154 14.488 -5.404 1.00 0.00 H new ATOM 1065 N ARG A 69 5.360 14.581 -2.252 1.00 0.00 N ATOM 1066 CA ARG A 69 6.396 15.306 -1.530 1.00 0.00 C ATOM 1067 C ARG A 69 6.847 16.509 -2.359 1.00 0.00 C ATOM 1068 O ARG A 69 7.311 16.350 -3.486 1.00 0.00 O ATOM 1069 CB ARG A 69 7.583 14.385 -1.229 1.00 0.00 C ATOM 1070 CG ARG A 69 8.874 15.126 -0.917 1.00 0.00 C ATOM 1071 CD ARG A 69 9.948 14.833 -1.951 1.00 0.00 C ATOM 1072 NE ARG A 69 11.242 14.559 -1.333 1.00 0.00 N ATOM 1073 CZ ARG A 69 12.207 13.857 -1.921 1.00 0.00 C ATOM 1074 NH1 ARG A 69 12.025 13.360 -3.137 1.00 0.00 N ATOM 1075 NH2 ARG A 69 13.356 13.652 -1.291 1.00 0.00 N ATOM 0 H ARG A 69 5.538 14.488 -3.252 1.00 0.00 H new ATOM 0 HA ARG A 69 5.992 15.658 -0.581 1.00 0.00 H new ATOM 0 HB2 ARG A 69 7.329 13.746 -0.383 1.00 0.00 H new ATOM 0 HB3 ARG A 69 7.749 13.731 -2.085 1.00 0.00 H new ATOM 0 HG2 ARG A 69 8.681 16.198 -0.885 1.00 0.00 H new ATOM 0 HG3 ARG A 69 9.231 14.837 0.072 1.00 0.00 H new ATOM 0 HD2 ARG A 69 9.646 13.977 -2.555 1.00 0.00 H new ATOM 0 HD3 ARG A 69 10.042 15.683 -2.627 1.00 0.00 H new ATOM 0 HE ARG A 69 11.416 14.927 -0.398 1.00 0.00 H new ATOM 0 HH11 ARG A 69 11.143 13.515 -3.625 1.00 0.00 H new ATOM 0 HH12 ARG A 69 12.767 12.822 -3.585 1.00 0.00 H new ATOM 0 HH21 ARG A 69 13.500 14.033 -0.356 1.00 0.00 H new ATOM 0 HH22 ARG A 69 14.096 13.114 -1.742 1.00 0.00 H new ATOM 1089 N ASN A 70 6.708 17.711 -1.805 1.00 0.00 N ATOM 1090 CA ASN A 70 7.102 18.923 -2.519 1.00 0.00 C ATOM 1091 C ASN A 70 8.554 19.288 -2.222 1.00 0.00 C ATOM 1092 O ASN A 70 9.011 19.182 -1.085 1.00 0.00 O ATOM 1093 CB ASN A 70 6.179 20.088 -2.150 1.00 0.00 C ATOM 1094 CG ASN A 70 6.606 21.399 -2.784 1.00 0.00 C ATOM 1095 OD1 ASN A 70 6.379 22.474 -2.226 1.00 0.00 O ATOM 1096 ND2 ASN A 70 7.227 21.322 -3.954 1.00 0.00 N ATOM 0 H ASN A 70 6.329 17.872 -0.872 1.00 0.00 H new ATOM 0 HA ASN A 70 7.011 18.726 -3.587 1.00 0.00 H new ATOM 0 HB2 ASN A 70 5.162 19.853 -2.462 1.00 0.00 H new ATOM 0 HB3 ASN A 70 6.161 20.202 -1.066 1.00 0.00 H new ATOM 0 HD21 ASN A 70 7.536 22.173 -4.425 1.00 0.00 H new ATOM 0 HD22 ASN A 70 7.396 20.412 -4.383 1.00 0.00 H new ATOM 1196 N PHE A 77 5.481 20.013 -6.420 1.00 0.00 N ATOM 1197 CA PHE A 77 5.100 18.786 -5.739 1.00 0.00 C ATOM 1198 C PHE A 77 5.449 17.574 -6.595 1.00 0.00 C ATOM 1199 O PHE A 77 4.966 17.430 -7.718 1.00 0.00 O ATOM 1200 CB PHE A 77 3.596 18.774 -5.422 1.00 0.00 C ATOM 1201 CG PHE A 77 3.055 20.041 -4.798 1.00 0.00 C ATOM 1202 CD1 PHE A 77 3.870 21.137 -4.547 1.00 0.00 C ATOM 1203 CD2 PHE A 77 1.710 20.130 -4.469 1.00 0.00 C ATOM 1204 CE1 PHE A 77 3.358 22.289 -3.985 1.00 0.00 C ATOM 1205 CE2 PHE A 77 1.193 21.282 -3.908 1.00 0.00 C ATOM 1206 CZ PHE A 77 2.019 22.362 -3.666 1.00 0.00 C ATOM 0 HA PHE A 77 5.655 18.739 -4.802 1.00 0.00 H new ATOM 0 HB2 PHE A 77 3.049 18.581 -6.345 1.00 0.00 H new ATOM 0 HB3 PHE A 77 3.390 17.941 -4.750 1.00 0.00 H new ATOM 0 HD1 PHE A 77 4.920 21.087 -4.795 1.00 0.00 H new ATOM 0 HD2 PHE A 77 1.059 19.288 -4.654 1.00 0.00 H new ATOM 0 HE1 PHE A 77 4.006 23.132 -3.795 1.00 0.00 H new ATOM 0 HE2 PHE A 77 0.144 21.338 -3.659 1.00 0.00 H new ATOM 0 HZ PHE A 77 1.616 23.263 -3.227 1.00 0.00 H new ATOM 1216 N ILE A 78 6.292 16.711 -6.052 1.00 0.00 N ATOM 1217 CA ILE A 78 6.720 15.506 -6.744 1.00 0.00 C ATOM 1218 C ILE A 78 6.295 14.265 -5.970 1.00 0.00 C ATOM 1219 O ILE A 78 6.346 14.243 -4.744 1.00 0.00 O ATOM 1220 CB ILE A 78 8.250 15.498 -6.951 1.00 0.00 C ATOM 1221 CG1 ILE A 78 8.575 15.760 -8.430 1.00 0.00 C ATOM 1222 CG2 ILE A 78 8.862 14.188 -6.457 1.00 0.00 C ATOM 1223 CD1 ILE A 78 9.434 14.700 -9.092 1.00 0.00 C ATOM 0 H ILE A 78 6.698 16.825 -5.123 1.00 0.00 H new ATOM 0 HA ILE A 78 6.239 15.496 -7.722 1.00 0.00 H new ATOM 0 HB ILE A 78 8.695 16.298 -6.359 1.00 0.00 H new ATOM 0 HG12 ILE A 78 7.640 15.846 -8.983 1.00 0.00 H new ATOM 0 HG13 ILE A 78 9.083 16.721 -8.511 1.00 0.00 H new ATOM 0 HG21 ILE A 78 9.940 14.208 -6.614 1.00 0.00 H new ATOM 0 HG22 ILE A 78 8.652 14.067 -5.394 1.00 0.00 H new ATOM 0 HG23 ILE A 78 8.430 13.354 -7.010 1.00 0.00 H new ATOM 0 HD11 ILE A 78 9.610 14.972 -10.133 1.00 0.00 H new ATOM 0 HD12 ILE A 78 10.388 14.627 -8.570 1.00 0.00 H new ATOM 0 HD13 ILE A 78 8.922 13.738 -9.050 1.00 0.00 H new ATOM 1235 N TRP A 79 5.875 13.235 -6.690 1.00 0.00 N ATOM 1236 CA TRP A 79 5.440 12.000 -6.056 1.00 0.00 C ATOM 1237 C TRP A 79 6.637 11.212 -5.538 1.00 0.00 C ATOM 1238 O TRP A 79 7.734 11.296 -6.089 1.00 0.00 O ATOM 1239 CB TRP A 79 4.650 11.128 -7.041 1.00 0.00 C ATOM 1240 CG TRP A 79 3.371 11.747 -7.527 1.00 0.00 C ATOM 1241 CD1 TRP A 79 2.913 13.007 -7.274 1.00 0.00 C ATOM 1242 CD2 TRP A 79 2.388 11.125 -8.363 1.00 0.00 C ATOM 1243 NE1 TRP A 79 1.705 13.205 -7.895 1.00 0.00 N ATOM 1244 CE2 TRP A 79 1.362 12.065 -8.571 1.00 0.00 C ATOM 1245 CE3 TRP A 79 2.276 9.864 -8.955 1.00 0.00 C ATOM 1246 CZ2 TRP A 79 0.239 11.783 -9.345 1.00 0.00 C ATOM 1247 CZ3 TRP A 79 1.162 9.585 -9.724 1.00 0.00 C ATOM 1248 CH2 TRP A 79 0.157 10.541 -9.913 1.00 0.00 C ATOM 0 H TRP A 79 5.826 13.230 -7.709 1.00 0.00 H new ATOM 0 HA TRP A 79 4.794 12.268 -5.220 1.00 0.00 H new ATOM 0 HB2 TRP A 79 5.283 10.907 -7.901 1.00 0.00 H new ATOM 0 HB3 TRP A 79 4.420 10.176 -6.562 1.00 0.00 H new ATOM 0 HD1 TRP A 79 3.427 13.742 -6.672 1.00 0.00 H new ATOM 0 HE1 TRP A 79 1.153 14.062 -7.859 1.00 0.00 H new ATOM 0 HE3 TRP A 79 3.047 9.120 -8.814 1.00 0.00 H new ATOM 0 HZ2 TRP A 79 -0.539 12.518 -9.491 1.00 0.00 H new ATOM 0 HZ3 TRP A 79 1.065 8.614 -10.187 1.00 0.00 H new ATOM 0 HH2 TRP A 79 -0.701 10.293 -10.520 1.00 0.00 H new ATOM 1259 N VAL A 80 6.412 10.445 -4.478 1.00 0.00 N ATOM 1260 CA VAL A 80 7.463 9.630 -3.880 1.00 0.00 C ATOM 1261 C VAL A 80 8.004 8.632 -4.901 1.00 0.00 C ATOM 1262 O VAL A 80 9.143 8.171 -4.800 1.00 0.00 O ATOM 1263 CB VAL A 80 6.931 8.866 -2.649 1.00 0.00 C ATOM 1264 CG1 VAL A 80 5.524 8.369 -2.915 1.00 0.00 C ATOM 1265 CG2 VAL A 80 7.852 7.714 -2.270 1.00 0.00 C ATOM 0 H VAL A 80 5.507 10.370 -4.013 1.00 0.00 H new ATOM 0 HA VAL A 80 8.266 10.296 -3.563 1.00 0.00 H new ATOM 0 HB VAL A 80 6.906 9.554 -1.804 1.00 0.00 H new ATOM 0 HG11 VAL A 80 5.157 7.831 -2.041 1.00 0.00 H new ATOM 0 HG12 VAL A 80 4.871 9.217 -3.120 1.00 0.00 H new ATOM 0 HG13 VAL A 80 5.531 7.701 -3.776 1.00 0.00 H new ATOM 0 HG21 VAL A 80 7.448 7.197 -1.399 1.00 0.00 H new ATOM 0 HG22 VAL A 80 7.925 7.017 -3.105 1.00 0.00 H new ATOM 0 HG23 VAL A 80 8.843 8.103 -2.034 1.00 0.00 H new ATOM 1275 N ASP A 81 7.175 8.312 -5.889 1.00 0.00 N ATOM 1276 CA ASP A 81 7.557 7.373 -6.938 1.00 0.00 C ATOM 1277 C ASP A 81 8.472 8.045 -7.953 1.00 0.00 C ATOM 1278 O ASP A 81 8.954 7.407 -8.890 1.00 0.00 O ATOM 1279 CB ASP A 81 6.312 6.824 -7.638 1.00 0.00 C ATOM 1280 CG ASP A 81 6.599 5.554 -8.414 1.00 0.00 C ATOM 1281 OD1 ASP A 81 7.127 4.596 -7.811 1.00 0.00 O ATOM 1282 OD2 ASP A 81 6.295 5.517 -9.625 1.00 0.00 O ATOM 0 H ASP A 81 6.232 8.690 -5.985 1.00 0.00 H new ATOM 0 HA ASP A 81 8.097 6.546 -6.477 1.00 0.00 H new ATOM 0 HB2 ASP A 81 5.539 6.626 -6.896 1.00 0.00 H new ATOM 0 HB3 ASP A 81 5.917 7.580 -8.317 1.00 0.00 H new ATOM 1287 N GLY A 82 8.711 9.335 -7.756 1.00 0.00 N ATOM 1288 CA GLY A 82 9.572 10.079 -8.651 1.00 0.00 C ATOM 1289 C GLY A 82 8.839 10.606 -9.869 1.00 0.00 C ATOM 1290 O GLY A 82 9.419 10.712 -10.950 1.00 0.00 O ATOM 0 H GLY A 82 8.321 9.881 -6.988 1.00 0.00 H new ATOM 0 HA2 GLY A 82 10.015 10.915 -8.110 1.00 0.00 H new ATOM 0 HA3 GLY A 82 10.392 9.438 -8.975 1.00 0.00 H new ATOM 1294 N SER A 83 7.562 10.940 -9.698 1.00 0.00 N ATOM 1295 CA SER A 83 6.759 11.458 -10.800 1.00 0.00 C ATOM 1296 C SER A 83 6.014 12.726 -10.391 1.00 0.00 C ATOM 1297 O SER A 83 5.251 12.723 -9.431 1.00 0.00 O ATOM 1298 CB SER A 83 5.764 10.399 -11.276 1.00 0.00 C ATOM 1299 OG SER A 83 6.143 9.871 -12.535 1.00 0.00 O ATOM 0 H SER A 83 7.064 10.861 -8.811 1.00 0.00 H new ATOM 0 HA SER A 83 7.435 11.707 -11.618 1.00 0.00 H new ATOM 0 HB2 SER A 83 5.707 9.594 -10.543 1.00 0.00 H new ATOM 0 HB3 SER A 83 4.768 10.837 -11.347 1.00 0.00 H new ATOM 0 HG SER A 83 5.491 9.195 -12.816 1.00 0.00 H new ATOM 1305 N HIS A 84 6.238 13.810 -11.129 1.00 0.00 N ATOM 1306 CA HIS A 84 5.584 15.080 -10.840 1.00 0.00 C ATOM 1307 C HIS A 84 4.065 14.932 -10.874 1.00 0.00 C ATOM 1308 O HIS A 84 3.527 14.129 -11.637 1.00 0.00 O ATOM 1309 CB HIS A 84 6.026 16.146 -11.845 1.00 0.00 C ATOM 1310 CG HIS A 84 5.920 15.705 -13.271 1.00 0.00 C ATOM 1311 ND1 HIS A 84 6.947 15.078 -13.944 1.00 0.00 N ATOM 1312 CD2 HIS A 84 4.899 15.803 -14.156 1.00 0.00 C ATOM 1313 CE1 HIS A 84 6.564 14.810 -15.179 1.00 0.00 C ATOM 1314 NE2 HIS A 84 5.325 15.240 -15.333 1.00 0.00 N ATOM 0 H HIS A 84 6.868 13.833 -11.931 1.00 0.00 H new ATOM 0 HA HIS A 84 5.878 15.391 -9.837 1.00 0.00 H new ATOM 0 HB2 HIS A 84 5.419 17.040 -11.704 1.00 0.00 H new ATOM 0 HB3 HIS A 84 7.059 16.425 -11.635 1.00 0.00 H new ATOM 0 HD2 HIS A 84 3.930 16.242 -13.970 1.00 0.00 H new ATOM 0 HE1 HIS A 84 7.162 14.322 -15.934 1.00 0.00 H new ATOM 0 HE2 HIS A 84 4.774 15.166 -16.188 1.00 0.00 H new ATOM 1323 N VAL A 85 3.384 15.711 -10.040 1.00 0.00 N ATOM 1324 CA VAL A 85 1.926 15.674 -9.966 1.00 0.00 C ATOM 1325 C VAL A 85 1.297 15.853 -11.345 1.00 0.00 C ATOM 1326 O VAL A 85 1.889 16.469 -12.232 1.00 0.00 O ATOM 1327 CB VAL A 85 1.387 16.766 -9.020 1.00 0.00 C ATOM 1328 CG1 VAL A 85 -0.125 16.682 -8.909 1.00 0.00 C ATOM 1329 CG2 VAL A 85 2.026 16.650 -7.648 1.00 0.00 C ATOM 0 H VAL A 85 3.820 16.378 -9.403 1.00 0.00 H new ATOM 0 HA VAL A 85 1.653 14.694 -9.574 1.00 0.00 H new ATOM 0 HB VAL A 85 1.648 17.737 -9.440 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -0.484 17.461 -8.237 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -0.570 16.819 -9.894 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -0.407 15.705 -8.516 1.00 0.00 H new ATOM 0 HG21 VAL A 85 1.632 17.430 -6.996 1.00 0.00 H new ATOM 0 HG22 VAL A 85 1.799 15.672 -7.223 1.00 0.00 H new ATOM 0 HG23 VAL A 85 3.106 16.765 -7.739 1.00 0.00 H new ATOM 1339 N ASP A 86 0.096 15.307 -11.520 1.00 0.00 N ATOM 1340 CA ASP A 86 -0.610 15.404 -12.792 1.00 0.00 C ATOM 1341 C ASP A 86 -1.993 16.027 -12.615 1.00 0.00 C ATOM 1342 O ASP A 86 -2.425 16.838 -13.435 1.00 0.00 O ATOM 1343 CB ASP A 86 -0.742 14.020 -13.430 1.00 0.00 C ATOM 1344 CG ASP A 86 0.484 13.635 -14.235 1.00 0.00 C ATOM 1345 OD1 ASP A 86 1.604 13.727 -13.692 1.00 0.00 O ATOM 1346 OD2 ASP A 86 0.323 13.242 -15.410 1.00 0.00 O ATOM 0 H ASP A 86 -0.407 14.793 -10.797 1.00 0.00 H new ATOM 0 HA ASP A 86 -0.027 16.051 -13.448 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -0.909 13.278 -12.650 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -1.618 14.004 -14.078 1.00 0.00 H new ATOM 1351 N TYR A 87 -2.687 15.642 -11.546 1.00 0.00 N ATOM 1352 CA TYR A 87 -4.023 16.165 -11.278 1.00 0.00 C ATOM 1353 C TYR A 87 -4.030 17.084 -10.061 1.00 0.00 C ATOM 1354 O TYR A 87 -4.583 18.183 -10.106 1.00 0.00 O ATOM 1355 CB TYR A 87 -5.016 15.018 -11.068 1.00 0.00 C ATOM 1356 CG TYR A 87 -5.739 14.606 -12.330 1.00 0.00 C ATOM 1357 CD1 TYR A 87 -5.105 13.838 -13.299 1.00 0.00 C ATOM 1358 CD2 TYR A 87 -7.057 14.984 -12.552 1.00 0.00 C ATOM 1359 CE1 TYR A 87 -5.763 13.460 -14.453 1.00 0.00 C ATOM 1360 CE2 TYR A 87 -7.723 14.609 -13.704 1.00 0.00 C ATOM 1361 CZ TYR A 87 -7.071 13.847 -14.651 1.00 0.00 C ATOM 1362 OH TYR A 87 -7.730 13.473 -15.800 1.00 0.00 O ATOM 0 H TYR A 87 -2.348 14.973 -10.855 1.00 0.00 H new ATOM 0 HA TYR A 87 -4.326 16.749 -12.147 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -4.483 14.156 -10.666 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -5.750 15.316 -10.319 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -4.081 13.532 -13.147 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -7.570 15.581 -11.812 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -5.255 12.864 -15.197 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -8.748 14.911 -13.862 1.00 0.00 H new ATOM 0 HH TYR A 87 -8.644 13.826 -15.783 1.00 0.00 H new ATOM 1372 N SER A 88 -3.413 16.622 -8.976 1.00 0.00 N ATOM 1373 CA SER A 88 -3.342 17.387 -7.730 1.00 0.00 C ATOM 1374 C SER A 88 -4.739 17.649 -7.169 1.00 0.00 C ATOM 1375 O SER A 88 -5.708 17.762 -7.919 1.00 0.00 O ATOM 1376 CB SER A 88 -2.609 18.714 -7.943 1.00 0.00 C ATOM 1377 OG SER A 88 -2.149 18.848 -9.276 1.00 0.00 O ATOM 0 H SER A 88 -2.951 15.714 -8.933 1.00 0.00 H new ATOM 0 HA SER A 88 -2.782 16.791 -7.009 1.00 0.00 H new ATOM 0 HB2 SER A 88 -3.277 19.542 -7.703 1.00 0.00 H new ATOM 0 HB3 SER A 88 -1.764 18.777 -7.258 1.00 0.00 H new ATOM 0 HG SER A 88 -1.687 19.706 -9.378 1.00 0.00 H new ATOM 1383 N ASN A 89 -4.844 17.728 -5.845 1.00 0.00 N ATOM 1384 CA ASN A 89 -6.133 17.958 -5.206 1.00 0.00 C ATOM 1385 C ASN A 89 -6.066 19.028 -4.113 1.00 0.00 C ATOM 1386 O ASN A 89 -7.109 19.474 -3.634 1.00 0.00 O ATOM 1387 CB ASN A 89 -6.662 16.652 -4.616 1.00 0.00 C ATOM 1388 CG ASN A 89 -7.105 15.666 -5.676 1.00 0.00 C ATOM 1389 OD1 ASN A 89 -7.292 16.023 -6.838 1.00 0.00 O ATOM 1390 ND2 ASN A 89 -7.279 14.413 -5.274 1.00 0.00 N ATOM 0 H ASN A 89 -4.059 17.637 -5.200 1.00 0.00 H new ATOM 0 HA ASN A 89 -6.811 18.324 -5.977 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -5.885 16.195 -4.003 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -7.502 16.871 -3.956 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -7.580 13.701 -5.940 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -7.112 14.162 -4.300 1.00 0.00 H new ATOM 1592 N CYS A 104 4.675 18.224 2.245 1.00 0.00 N ATOM 1593 CA CYS A 104 3.924 17.023 1.902 1.00 0.00 C ATOM 1594 C CYS A 104 2.434 17.330 1.796 1.00 0.00 C ATOM 1595 O CYS A 104 1.962 18.344 2.309 1.00 0.00 O ATOM 1596 CB CYS A 104 4.159 15.935 2.952 1.00 0.00 C ATOM 1597 SG CYS A 104 5.410 16.367 4.206 1.00 0.00 S ATOM 0 HA CYS A 104 4.274 16.666 0.934 1.00 0.00 H new ATOM 0 HB2 CYS A 104 3.216 15.720 3.454 1.00 0.00 H new ATOM 0 HB3 CYS A 104 4.467 15.019 2.448 1.00 0.00 H new ATOM 0 HG CYS A 104 5.766 17.608 4.054 1.00 0.00 H new ATOM 1602 N VAL A 105 1.697 16.452 1.128 1.00 0.00 N ATOM 1603 CA VAL A 105 0.266 16.642 0.961 1.00 0.00 C ATOM 1604 C VAL A 105 -0.527 15.628 1.774 1.00 0.00 C ATOM 1605 O VAL A 105 -0.196 14.443 1.816 1.00 0.00 O ATOM 1606 CB VAL A 105 -0.147 16.551 -0.520 1.00 0.00 C ATOM 1607 CG1 VAL A 105 -1.660 16.481 -0.660 1.00 0.00 C ATOM 1608 CG2 VAL A 105 0.396 17.743 -1.287 1.00 0.00 C ATOM 0 H VAL A 105 2.066 15.605 0.695 1.00 0.00 H new ATOM 0 HA VAL A 105 0.037 17.643 1.327 1.00 0.00 H new ATOM 0 HB VAL A 105 0.275 15.637 -0.937 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -1.925 16.417 -1.715 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -2.033 15.600 -0.138 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -2.107 17.376 -0.227 1.00 0.00 H new ATOM 0 HG21 VAL A 105 0.098 17.669 -2.333 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -0.004 18.663 -0.860 1.00 0.00 H new ATOM 0 HG23 VAL A 105 1.484 17.754 -1.219 1.00 0.00 H new ATOM 1618 N MET A 106 -1.581 16.114 2.413 1.00 0.00 N ATOM 1619 CA MET A 106 -2.451 15.285 3.229 1.00 0.00 C ATOM 1620 C MET A 106 -3.860 15.305 2.653 1.00 0.00 C ATOM 1621 O MET A 106 -4.158 16.091 1.760 1.00 0.00 O ATOM 1622 CB MET A 106 -2.447 15.771 4.685 1.00 0.00 C ATOM 1623 CG MET A 106 -3.687 16.556 5.091 1.00 0.00 C ATOM 1624 SD MET A 106 -3.309 18.248 5.585 1.00 0.00 S ATOM 1625 CE MET A 106 -4.871 18.746 6.309 1.00 0.00 C ATOM 0 H MET A 106 -1.856 17.096 2.379 1.00 0.00 H new ATOM 0 HA MET A 106 -2.082 14.259 3.219 1.00 0.00 H new ATOM 0 HB2 MET A 106 -2.347 14.908 5.343 1.00 0.00 H new ATOM 0 HB3 MET A 106 -1.568 16.396 4.844 1.00 0.00 H new ATOM 0 HG2 MET A 106 -4.390 16.574 4.258 1.00 0.00 H new ATOM 0 HG3 MET A 106 -4.183 16.043 5.915 1.00 0.00 H new ATOM 0 HE1 MET A 106 -4.929 19.834 6.337 1.00 0.00 H new ATOM 0 HE2 MET A 106 -5.692 18.354 5.708 1.00 0.00 H new ATOM 0 HE3 MET A 106 -4.944 18.353 7.323 1.00 0.00 H new ATOM 1725 N TRP A 113 -7.558 16.932 -0.994 1.00 0.00 N ATOM 1726 CA TRP A 113 -6.257 17.060 -0.355 1.00 0.00 C ATOM 1727 C TRP A 113 -6.033 18.454 0.181 1.00 0.00 C ATOM 1728 O TRP A 113 -6.653 19.419 -0.259 1.00 0.00 O ATOM 1729 CB TRP A 113 -5.123 16.838 -1.344 1.00 0.00 C ATOM 1730 CG TRP A 113 -5.081 15.518 -2.030 1.00 0.00 C ATOM 1731 CD1 TRP A 113 -5.900 14.441 -1.859 1.00 0.00 C ATOM 1732 CD2 TRP A 113 -4.136 15.159 -3.029 1.00 0.00 C ATOM 1733 NE1 TRP A 113 -5.511 13.426 -2.704 1.00 0.00 N ATOM 1734 CE2 TRP A 113 -4.424 13.846 -3.432 1.00 0.00 C ATOM 1735 CE3 TRP A 113 -3.068 15.838 -3.619 1.00 0.00 C ATOM 1736 CZ2 TRP A 113 -3.675 13.189 -4.406 1.00 0.00 C ATOM 1737 CZ3 TRP A 113 -2.325 15.188 -4.587 1.00 0.00 C ATOM 1738 CH2 TRP A 113 -2.630 13.875 -4.971 1.00 0.00 C ATOM 0 HA TRP A 113 -6.257 16.314 0.440 1.00 0.00 H new ATOM 0 HB2 TRP A 113 -5.179 17.615 -2.106 1.00 0.00 H new ATOM 0 HB3 TRP A 113 -4.180 16.977 -0.816 1.00 0.00 H new ATOM 0 HD1 TRP A 113 -6.727 14.392 -1.167 1.00 0.00 H new ATOM 0 HE1 TRP A 113 -5.957 12.512 -2.778 1.00 0.00 H new ATOM 0 HE3 TRP A 113 -2.828 16.849 -3.326 1.00 0.00 H new ATOM 0 HZ2 TRP A 113 -3.908 12.178 -4.705 1.00 0.00 H new ATOM 0 HZ3 TRP A 113 -1.497 15.700 -5.054 1.00 0.00 H new ATOM 0 HH2 TRP A 113 -2.029 13.393 -5.728 1.00 0.00 H new ATOM 1749 N ASN A 114 -5.066 18.549 1.069 1.00 0.00 N ATOM 1750 CA ASN A 114 -4.647 19.816 1.606 1.00 0.00 C ATOM 1751 C ASN A 114 -3.124 19.842 1.596 1.00 0.00 C ATOM 1752 O ASN A 114 -2.475 19.003 2.221 1.00 0.00 O ATOM 1753 CB ASN A 114 -5.177 20.012 3.027 1.00 0.00 C ATOM 1754 CG ASN A 114 -6.639 20.409 3.049 1.00 0.00 C ATOM 1755 OD1 ASN A 114 -7.522 19.564 3.202 1.00 0.00 O ATOM 1756 ND2 ASN A 114 -6.903 21.702 2.898 1.00 0.00 N ATOM 0 H ASN A 114 -4.552 17.748 1.435 1.00 0.00 H new ATOM 0 HA ASN A 114 -5.047 20.628 0.999 1.00 0.00 H new ATOM 0 HB2 ASN A 114 -5.046 19.089 3.591 1.00 0.00 H new ATOM 0 HB3 ASN A 114 -4.587 20.779 3.529 1.00 0.00 H new ATOM 0 HD21 ASN A 114 -7.869 22.030 2.906 1.00 0.00 H new ATOM 0 HD22 ASN A 114 -6.140 22.367 2.774 1.00 0.00 H new ATOM 1763 N ASP A 115 -2.565 20.797 0.873 1.00 0.00 N ATOM 1764 CA ASP A 115 -1.123 20.927 0.761 1.00 0.00 C ATOM 1765 C ASP A 115 -0.561 21.775 1.896 1.00 0.00 C ATOM 1766 O ASP A 115 -1.020 22.891 2.141 1.00 0.00 O ATOM 1767 CB ASP A 115 -0.761 21.541 -0.590 1.00 0.00 C ATOM 1768 CG ASP A 115 0.738 21.637 -0.786 1.00 0.00 C ATOM 1769 OD1 ASP A 115 1.385 20.582 -0.952 1.00 0.00 O ATOM 1770 OD2 ASP A 115 1.267 22.769 -0.768 1.00 0.00 O ATOM 0 H ASP A 115 -3.092 21.498 0.352 1.00 0.00 H new ATOM 0 HA ASP A 115 -0.680 19.934 0.833 1.00 0.00 H new ATOM 0 HB2 ASP A 115 -1.193 20.939 -1.389 1.00 0.00 H new ATOM 0 HB3 ASP A 115 -1.201 22.535 -0.666 1.00 0.00 H new ATOM 1891 N GLY A 123 -3.178 10.826 11.333 1.00 0.00 N ATOM 1892 CA GLY A 123 -3.175 9.667 12.209 1.00 0.00 C ATOM 1893 C GLY A 123 -3.373 8.349 11.481 1.00 0.00 C ATOM 1894 O GLY A 123 -3.383 7.290 12.110 1.00 0.00 O ATOM 0 HA2 GLY A 123 -2.229 9.634 12.750 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -3.964 9.783 12.953 1.00 0.00 H new ATOM 1898 N ALA A 124 -3.528 8.398 10.160 1.00 0.00 N ATOM 1899 CA ALA A 124 -3.722 7.180 9.379 1.00 0.00 C ATOM 1900 C ALA A 124 -2.690 7.072 8.263 1.00 0.00 C ATOM 1901 O ALA A 124 -2.501 8.010 7.490 1.00 0.00 O ATOM 1902 CB ALA A 124 -5.130 7.140 8.805 1.00 0.00 C ATOM 0 H ALA A 124 -3.523 9.259 9.613 1.00 0.00 H new ATOM 0 HA ALA A 124 -3.588 6.327 10.044 1.00 0.00 H new ATOM 0 HB1 ALA A 124 -5.261 6.226 8.225 1.00 0.00 H new ATOM 0 HB2 ALA A 124 -5.855 7.160 9.618 1.00 0.00 H new ATOM 0 HB3 ALA A 124 -5.285 8.005 8.160 1.00 0.00 H new ATOM 1908 N TRP A 125 -2.030 5.918 8.178 1.00 0.00 N ATOM 1909 CA TRP A 125 -1.022 5.690 7.152 1.00 0.00 C ATOM 1910 C TRP A 125 -1.602 4.876 6.008 1.00 0.00 C ATOM 1911 O TRP A 125 -2.289 3.872 6.225 1.00 0.00 O ATOM 1912 CB TRP A 125 0.191 4.968 7.742 1.00 0.00 C ATOM 1913 CG TRP A 125 -0.155 3.665 8.393 1.00 0.00 C ATOM 1914 CD1 TRP A 125 -0.685 3.488 9.636 1.00 0.00 C ATOM 1915 CD2 TRP A 125 0.005 2.356 7.833 1.00 0.00 C ATOM 1916 NE1 TRP A 125 -0.869 2.151 9.885 1.00 0.00 N ATOM 1917 CE2 TRP A 125 -0.451 1.435 8.793 1.00 0.00 C ATOM 1918 CE3 TRP A 125 0.488 1.874 6.613 1.00 0.00 C ATOM 1919 CZ2 TRP A 125 -0.439 0.059 8.572 1.00 0.00 C ATOM 1920 CZ3 TRP A 125 0.500 0.509 6.394 1.00 0.00 C ATOM 1921 CH2 TRP A 125 0.039 -0.384 7.369 1.00 0.00 C ATOM 0 H TRP A 125 -2.177 5.129 8.808 1.00 0.00 H new ATOM 0 HA TRP A 125 -0.702 6.659 6.768 1.00 0.00 H new ATOM 0 HB2 TRP A 125 0.919 4.789 6.951 1.00 0.00 H new ATOM 0 HB3 TRP A 125 0.670 5.617 8.475 1.00 0.00 H new ATOM 0 HD1 TRP A 125 -0.925 4.284 10.325 1.00 0.00 H new ATOM 0 HE1 TRP A 125 -1.254 1.755 10.742 1.00 0.00 H new ATOM 0 HE3 TRP A 125 0.845 2.556 5.855 1.00 0.00 H new ATOM 0 HZ2 TRP A 125 -0.794 -0.632 9.322 1.00 0.00 H new ATOM 0 HZ3 TRP A 125 0.871 0.125 5.455 1.00 0.00 H new ATOM 0 HH2 TRP A 125 0.061 -1.445 7.167 1.00 0.00 H new ATOM 1932 N VAL A 126 -1.335 5.316 4.786 1.00 0.00 N ATOM 1933 CA VAL A 126 -1.845 4.626 3.619 1.00 0.00 C ATOM 1934 C VAL A 126 -0.768 4.420 2.549 1.00 0.00 C ATOM 1935 O VAL A 126 -0.083 5.357 2.141 1.00 0.00 O ATOM 1936 CB VAL A 126 -3.059 5.372 3.027 1.00 0.00 C ATOM 1937 CG1 VAL A 126 -3.023 6.843 3.389 1.00 0.00 C ATOM 1938 CG2 VAL A 126 -3.147 5.184 1.523 1.00 0.00 C ATOM 0 H VAL A 126 -0.772 6.142 4.582 1.00 0.00 H new ATOM 0 HA VAL A 126 -2.166 3.638 3.950 1.00 0.00 H new ATOM 0 HB VAL A 126 -3.957 4.938 3.466 1.00 0.00 H new ATOM 0 HG11 VAL A 126 -3.890 7.345 2.959 1.00 0.00 H new ATOM 0 HG12 VAL A 126 -3.042 6.951 4.473 1.00 0.00 H new ATOM 0 HG13 VAL A 126 -2.111 7.292 2.995 1.00 0.00 H new ATOM 0 HG21 VAL A 126 -4.013 5.723 1.139 1.00 0.00 H new ATOM 0 HG22 VAL A 126 -2.242 5.571 1.054 1.00 0.00 H new ATOM 0 HG23 VAL A 126 -3.249 4.123 1.294 1.00 0.00 H new ATOM 1948 N CYS A 127 -0.649 3.172 2.103 1.00 0.00 N ATOM 1949 CA CYS A 127 0.316 2.775 1.069 1.00 0.00 C ATOM 1950 C CYS A 127 -0.318 1.746 0.145 1.00 0.00 C ATOM 1951 O CYS A 127 -1.318 1.143 0.498 1.00 0.00 O ATOM 1952 CB CYS A 127 1.583 2.192 1.689 1.00 0.00 C ATOM 1953 SG CYS A 127 2.394 3.282 2.898 1.00 0.00 S ATOM 0 H CYS A 127 -1.220 2.400 2.448 1.00 0.00 H new ATOM 0 HA CYS A 127 0.591 3.664 0.502 1.00 0.00 H new ATOM 0 HB2 CYS A 127 1.334 1.249 2.177 1.00 0.00 H new ATOM 0 HB3 CYS A 127 2.291 1.962 0.893 1.00 0.00 H new ATOM 1958 N ASP A 128 0.254 1.520 -1.027 1.00 0.00 N ATOM 1959 CA ASP A 128 -0.313 0.538 -1.934 1.00 0.00 C ATOM 1960 C ASP A 128 0.723 -0.490 -2.359 1.00 0.00 C ATOM 1961 O ASP A 128 1.891 -0.172 -2.567 1.00 0.00 O ATOM 1962 CB ASP A 128 -0.905 1.225 -3.167 1.00 0.00 C ATOM 1963 CG ASP A 128 -0.005 2.315 -3.715 1.00 0.00 C ATOM 1964 OD1 ASP A 128 1.223 2.236 -3.505 1.00 0.00 O ATOM 1965 OD2 ASP A 128 -0.529 3.249 -4.357 1.00 0.00 O ATOM 0 H ASP A 128 1.092 1.992 -1.367 1.00 0.00 H new ATOM 0 HA ASP A 128 -1.108 0.017 -1.400 1.00 0.00 H new ATOM 0 HB2 ASP A 128 -1.082 0.481 -3.943 1.00 0.00 H new ATOM 0 HB3 ASP A 128 -1.874 1.654 -2.910 1.00 0.00 H new ATOM 1970 N ARG A 129 0.264 -1.724 -2.491 1.00 0.00 N ATOM 1971 CA ARG A 129 1.111 -2.837 -2.895 1.00 0.00 C ATOM 1972 C ARG A 129 0.266 -3.932 -3.524 1.00 0.00 C ATOM 1973 O ARG A 129 -0.960 -3.881 -3.472 1.00 0.00 O ATOM 1974 CB ARG A 129 1.876 -3.395 -1.691 1.00 0.00 C ATOM 1975 CG ARG A 129 1.077 -4.382 -0.854 1.00 0.00 C ATOM 1976 CD ARG A 129 1.847 -5.673 -0.631 1.00 0.00 C ATOM 1977 NE ARG A 129 1.224 -6.511 0.392 1.00 0.00 N ATOM 1978 CZ ARG A 129 1.893 -7.388 1.134 1.00 0.00 C ATOM 1979 NH1 ARG A 129 3.201 -7.543 0.969 1.00 0.00 N ATOM 1980 NH2 ARG A 129 1.255 -8.112 2.044 1.00 0.00 N ATOM 0 H ARG A 129 -0.708 -1.984 -2.321 1.00 0.00 H new ATOM 0 HA ARG A 129 1.832 -2.475 -3.628 1.00 0.00 H new ATOM 0 HB2 ARG A 129 2.783 -3.885 -2.045 1.00 0.00 H new ATOM 0 HB3 ARG A 129 2.189 -2.566 -1.056 1.00 0.00 H new ATOM 0 HG2 ARG A 129 0.833 -3.931 0.108 1.00 0.00 H new ATOM 0 HG3 ARG A 129 0.132 -4.602 -1.351 1.00 0.00 H new ATOM 0 HD2 ARG A 129 1.905 -6.227 -1.568 1.00 0.00 H new ATOM 0 HD3 ARG A 129 2.870 -5.439 -0.335 1.00 0.00 H new ATOM 0 HE ARG A 129 0.220 -6.418 0.545 1.00 0.00 H new ATOM 0 HH11 ARG A 129 3.696 -6.988 0.271 1.00 0.00 H new ATOM 0 HH12 ARG A 129 3.711 -8.217 1.540 1.00 0.00 H new ATOM 0 HH21 ARG A 129 0.250 -7.996 2.175 1.00 0.00 H new ATOM 0 HH22 ARG A 129 1.769 -8.785 2.613 1.00 0.00 H new ATOM 1994 N LEU A 130 0.917 -4.925 -4.107 1.00 0.00 N ATOM 1995 CA LEU A 130 0.201 -6.030 -4.730 1.00 0.00 C ATOM 1996 C LEU A 130 -0.341 -6.984 -3.672 1.00 0.00 C ATOM 1997 O LEU A 130 0.372 -7.365 -2.742 1.00 0.00 O ATOM 1998 CB LEU A 130 1.114 -6.773 -5.707 1.00 0.00 C ATOM 1999 CG LEU A 130 1.217 -6.160 -7.111 1.00 0.00 C ATOM 2000 CD1 LEU A 130 0.477 -7.021 -8.122 1.00 0.00 C ATOM 2001 CD2 LEU A 130 0.678 -4.732 -7.133 1.00 0.00 C ATOM 0 H LEU A 130 1.933 -4.991 -4.163 1.00 0.00 H new ATOM 0 HA LEU A 130 -0.643 -5.623 -5.287 1.00 0.00 H new ATOM 0 HB2 LEU A 130 2.114 -6.822 -5.277 1.00 0.00 H new ATOM 0 HB3 LEU A 130 0.757 -7.799 -5.802 1.00 0.00 H new ATOM 0 HG LEU A 130 2.272 -6.125 -7.384 1.00 0.00 H new ATOM 0 HD11 LEU A 130 0.560 -6.572 -9.112 1.00 0.00 H new ATOM 0 HD12 LEU A 130 0.914 -8.020 -8.138 1.00 0.00 H new ATOM 0 HD13 LEU A 130 -0.574 -7.089 -7.842 1.00 0.00 H new ATOM 0 HD21 LEU A 130 0.765 -4.326 -8.141 1.00 0.00 H new ATOM 0 HD22 LEU A 130 -0.369 -4.734 -6.831 1.00 0.00 H new ATOM 0 HD23 LEU A 130 1.253 -4.115 -6.442 1.00 0.00 H new