USER MOD reduce.3.24.130724 H: found=0, std=0, add=538, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 528 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 35 CYS SG : rot 140:sc= 1.65 USER MOD Set 1.2: A 38 CYS SG : rot 60:sc= 0.3 USER MOD Set 1.3: A 58 CYS SG : rot -131:sc= -3.4! USER MOD Set 2.1: A 8 CYS SG : rot 145:sc= 0.829 USER MOD Set 2.2: A 11 CYS SG : rot -49:sc= 0.81! USER MOD Set 2.3: A 29 HIS : no HD1:sc= -1.02! C(o=-1.9!,f=-7!) USER MOD Set 2.4: A 32 CYS SG : rot 141:sc= -2.56! USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 TYR OH : rot -10:sc= 0.578 USER MOD Single : A 24 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot 180:sc=-0.00517 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 170:sc= 0.142 USER MOD Single : A 34 LYS NZ :NH3+ 165:sc= 1.25 (180deg=0.749) USER MOD Single : A 36 SER OG : rot 67:sc= 1.26 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= -0.0775 X(o=-0.077,f=-0.29) USER MOD Single : A 41 GLN : amide:sc= -4.09! C(o=-4.1!,f=-7.7!) USER MOD Single : A 47 THR OG1 : rot 175:sc= -0.242 USER MOD Single : A 48 SER OG : rot 161:sc= 1.26 USER MOD Single : A 49 SER OG : rot 180:sc= -0.676 USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot -140:sc= -0.0929 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot 106:sc= 0.257! USER MOD Single : A 55 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 97 N ARG A 7 -10.718 -1.462 0.536 1.00 0.00 N ATOM 98 CA ARG A 7 -10.294 -2.529 1.423 1.00 0.00 C ATOM 99 C ARG A 7 -8.792 -2.443 1.685 1.00 0.00 C ATOM 100 O ARG A 7 -7.998 -2.237 0.768 1.00 0.00 O ATOM 101 CB ARG A 7 -10.686 -3.898 0.849 1.00 0.00 C ATOM 102 CG ARG A 7 -9.649 -4.525 -0.069 1.00 0.00 C ATOM 103 CD ARG A 7 -9.350 -5.960 0.332 1.00 0.00 C ATOM 104 NE ARG A 7 -8.187 -6.059 1.211 1.00 0.00 N ATOM 105 CZ ARG A 7 -7.127 -6.830 0.966 1.00 0.00 C ATOM 106 NH1 ARG A 7 -7.042 -7.508 -0.171 1.00 0.00 N ATOM 107 NH2 ARG A 7 -6.149 -6.909 1.856 1.00 0.00 N ATOM 0 HA ARG A 7 -10.806 -2.412 2.378 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -10.879 -4.581 1.676 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -11.621 -3.791 0.299 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -10.009 -4.500 -1.098 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -8.731 -3.938 -0.038 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -10.220 -6.383 0.835 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -9.178 -6.557 -0.564 1.00 0.00 H new ATOM 0 HE ARG A 7 -8.186 -5.503 2.066 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -7.789 -7.441 -0.862 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -6.229 -8.097 -0.354 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -6.208 -6.381 2.727 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -5.337 -7.498 1.671 1.00 0.00 H new ATOM 121 N CYS A 8 -8.439 -2.496 2.957 1.00 0.00 N ATOM 122 CA CYS A 8 -7.070 -2.353 3.404 1.00 0.00 C ATOM 123 C CYS A 8 -6.275 -3.626 3.176 1.00 0.00 C ATOM 124 O CYS A 8 -6.771 -4.732 3.398 1.00 0.00 O ATOM 125 CB CYS A 8 -7.059 -2.021 4.893 1.00 0.00 C ATOM 126 SG CYS A 8 -5.514 -1.268 5.495 1.00 0.00 S ATOM 0 H CYS A 8 -9.105 -2.641 3.716 1.00 0.00 H new ATOM 0 HA CYS A 8 -6.608 -1.551 2.828 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -7.885 -1.342 5.106 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -7.245 -2.935 5.456 1.00 0.00 H new ATOM 0 HG CYS A 8 -5.788 -0.393 6.417 1.00 0.00 H new ATOM 131 N ALA A 9 -5.006 -3.447 2.868 1.00 0.00 N ATOM 132 CA ALA A 9 -4.072 -4.550 2.768 1.00 0.00 C ATOM 133 C ALA A 9 -3.098 -4.488 3.935 1.00 0.00 C ATOM 134 O ALA A 9 -2.077 -5.179 3.955 1.00 0.00 O ATOM 135 CB ALA A 9 -3.330 -4.500 1.442 1.00 0.00 C ATOM 0 H ALA A 9 -4.594 -2.533 2.680 1.00 0.00 H new ATOM 0 HA ALA A 9 -4.618 -5.493 2.809 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -2.633 -5.336 1.384 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -4.045 -4.566 0.622 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -2.779 -3.562 1.368 1.00 0.00 H new ATOM 141 N GLY A 10 -3.392 -3.597 4.876 1.00 0.00 N ATOM 142 CA GLY A 10 -2.517 -3.396 6.007 1.00 0.00 C ATOM 143 C GLY A 10 -3.029 -4.063 7.263 1.00 0.00 C ATOM 144 O GLY A 10 -2.264 -4.710 7.979 1.00 0.00 O ATOM 0 H GLY A 10 -4.226 -3.010 4.871 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -1.527 -3.787 5.770 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -2.403 -2.327 6.188 1.00 0.00 H new ATOM 148 N CYS A 11 -4.318 -3.916 7.540 1.00 0.00 N ATOM 149 CA CYS A 11 -4.894 -4.514 8.732 1.00 0.00 C ATOM 150 C CYS A 11 -5.832 -5.668 8.372 1.00 0.00 C ATOM 151 O CYS A 11 -5.395 -6.807 8.196 1.00 0.00 O ATOM 152 CB CYS A 11 -5.622 -3.453 9.576 1.00 0.00 C ATOM 153 SG CYS A 11 -6.903 -2.503 8.694 1.00 0.00 S ATOM 0 H CYS A 11 -4.976 -3.394 6.962 1.00 0.00 H new ATOM 0 HA CYS A 11 -4.080 -4.923 9.331 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -6.083 -3.946 10.432 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -4.883 -2.756 9.970 1.00 0.00 H new ATOM 0 HG CYS A 11 -6.421 -2.065 7.569 1.00 0.00 H new ATOM 158 N GLY A 12 -7.115 -5.368 8.280 1.00 0.00 N ATOM 159 CA GLY A 12 -8.100 -6.386 7.981 1.00 0.00 C ATOM 160 C GLY A 12 -8.620 -6.302 6.563 1.00 0.00 C ATOM 161 O GLY A 12 -8.068 -6.925 5.657 1.00 0.00 O ATOM 0 H GLY A 12 -7.496 -4.431 8.408 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -7.660 -7.370 8.144 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -8.935 -6.292 8.675 1.00 0.00 H new ATOM 165 N GLY A 13 -9.707 -5.567 6.374 1.00 0.00 N ATOM 166 CA GLY A 13 -10.309 -5.468 5.064 1.00 0.00 C ATOM 167 C GLY A 13 -11.029 -4.154 4.849 1.00 0.00 C ATOM 168 O GLY A 13 -10.410 -3.159 4.488 1.00 0.00 O ATOM 0 H GLY A 13 -10.181 -5.038 7.106 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -9.536 -5.582 4.304 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -11.013 -6.289 4.929 1.00 0.00 H new ATOM 172 N LYS A 14 -12.340 -4.156 5.048 1.00 0.00 N ATOM 173 CA LYS A 14 -13.161 -2.971 4.815 1.00 0.00 C ATOM 174 C LYS A 14 -12.639 -1.756 5.585 1.00 0.00 C ATOM 175 O LYS A 14 -12.642 -1.738 6.818 1.00 0.00 O ATOM 176 CB LYS A 14 -14.611 -3.250 5.208 1.00 0.00 C ATOM 177 CG LYS A 14 -15.614 -2.361 4.493 1.00 0.00 C ATOM 178 CD LYS A 14 -16.166 -1.292 5.419 1.00 0.00 C ATOM 179 CE LYS A 14 -17.683 -1.273 5.411 1.00 0.00 C ATOM 180 NZ LYS A 14 -18.250 -1.443 6.775 1.00 0.00 N ATOM 0 H LYS A 14 -12.862 -4.970 5.372 1.00 0.00 H new ATOM 0 HA LYS A 14 -13.108 -2.740 3.751 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -14.843 -4.293 4.992 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -14.720 -3.115 6.284 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -15.137 -1.889 3.634 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -16.433 -2.969 4.109 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -15.809 -1.470 6.434 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -15.788 -0.316 5.115 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -18.031 -0.331 4.989 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -18.052 -2.068 4.763 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -19.289 -1.424 6.724 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -17.939 -2.354 7.169 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -17.919 -0.670 7.387 1.00 0.00 H new ATOM 194 N ILE A 15 -12.192 -0.749 4.844 1.00 0.00 N ATOM 195 CA ILE A 15 -11.660 0.468 5.440 1.00 0.00 C ATOM 196 C ILE A 15 -12.784 1.322 6.027 1.00 0.00 C ATOM 197 O ILE A 15 -12.912 1.426 7.246 1.00 0.00 O ATOM 198 CB ILE A 15 -10.859 1.296 4.408 1.00 0.00 C ATOM 199 CG1 ILE A 15 -9.788 0.424 3.743 1.00 0.00 C ATOM 200 CG2 ILE A 15 -10.227 2.512 5.069 1.00 0.00 C ATOM 201 CD1 ILE A 15 -8.776 1.203 2.929 1.00 0.00 C ATOM 0 H ILE A 15 -12.188 -0.753 3.824 1.00 0.00 H new ATOM 0 HA ILE A 15 -10.985 0.169 6.242 1.00 0.00 H new ATOM 0 HB ILE A 15 -11.546 1.648 3.638 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -9.262 -0.139 4.514 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -10.277 -0.303 3.095 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -9.668 3.081 4.326 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -11.008 3.141 5.496 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -9.551 2.186 5.860 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -8.053 0.514 2.492 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -9.288 1.745 2.134 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -8.257 1.912 3.575 1.00 0.00 H new ATOM 212 N ALA A 16 -13.581 1.935 5.145 1.00 0.00 N ATOM 213 CA ALA A 16 -14.693 2.807 5.550 1.00 0.00 C ATOM 214 C ALA A 16 -14.195 4.024 6.321 1.00 0.00 C ATOM 215 O ALA A 16 -14.967 4.712 6.994 1.00 0.00 O ATOM 216 CB ALA A 16 -15.724 2.041 6.367 1.00 0.00 C ATOM 0 H ALA A 16 -13.476 1.842 4.135 1.00 0.00 H new ATOM 0 HA ALA A 16 -15.175 3.161 4.639 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -16.534 2.712 6.652 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -16.125 1.221 5.771 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -15.252 1.640 7.264 1.00 0.00 H new ATOM 222 N ASP A 17 -12.924 4.335 6.148 1.00 0.00 N ATOM 223 CA ASP A 17 -12.340 5.521 6.747 1.00 0.00 C ATOM 224 C ASP A 17 -12.239 6.622 5.710 1.00 0.00 C ATOM 225 O ASP A 17 -12.148 6.346 4.511 1.00 0.00 O ATOM 226 CB ASP A 17 -10.952 5.225 7.323 1.00 0.00 C ATOM 227 CG ASP A 17 -10.963 5.050 8.829 1.00 0.00 C ATOM 228 OD1 ASP A 17 -11.148 6.058 9.548 1.00 0.00 O ATOM 229 OD2 ASP A 17 -10.772 3.908 9.308 1.00 0.00 O ATOM 0 H ASP A 17 -12.273 3.779 5.594 1.00 0.00 H new ATOM 0 HA ASP A 17 -12.986 5.843 7.564 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -10.557 4.320 6.860 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -10.275 6.038 7.062 1.00 0.00 H new ATOM 234 N ARG A 18 -12.205 7.858 6.171 1.00 0.00 N ATOM 235 CA ARG A 18 -12.036 8.996 5.289 1.00 0.00 C ATOM 236 C ARG A 18 -10.583 9.092 4.847 1.00 0.00 C ATOM 237 O ARG A 18 -10.291 9.358 3.681 1.00 0.00 O ATOM 238 CB ARG A 18 -12.451 10.285 5.996 1.00 0.00 C ATOM 239 CG ARG A 18 -12.817 11.407 5.046 1.00 0.00 C ATOM 240 CD ARG A 18 -13.432 12.577 5.793 1.00 0.00 C ATOM 241 NE ARG A 18 -14.798 12.848 5.357 1.00 0.00 N ATOM 242 CZ ARG A 18 -15.882 12.637 6.104 1.00 0.00 C ATOM 243 NH1 ARG A 18 -15.770 12.130 7.329 1.00 0.00 N ATOM 244 NH2 ARG A 18 -17.083 12.931 5.624 1.00 0.00 N ATOM 0 H ARG A 18 -12.293 8.100 7.158 1.00 0.00 H new ATOM 0 HA ARG A 18 -12.671 8.859 4.414 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -13.302 10.076 6.644 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -11.635 10.616 6.639 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -11.927 11.740 4.512 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -13.519 11.040 4.298 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -13.428 12.366 6.862 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -12.820 13.466 5.641 1.00 0.00 H new ATOM 0 HE ARG A 18 -14.932 13.224 4.418 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -14.850 11.900 7.703 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -16.605 11.972 7.894 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -17.176 13.318 4.685 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -17.913 12.770 6.194 1.00 0.00 H new ATOM 258 N PHE A 19 -9.686 8.834 5.785 1.00 0.00 N ATOM 259 CA PHE A 19 -8.256 8.856 5.515 1.00 0.00 C ATOM 260 C PHE A 19 -7.776 7.468 5.117 1.00 0.00 C ATOM 261 O PHE A 19 -7.767 6.550 5.938 1.00 0.00 O ATOM 262 CB PHE A 19 -7.482 9.326 6.753 1.00 0.00 C ATOM 263 CG PHE A 19 -7.523 10.810 6.990 1.00 0.00 C ATOM 264 CD1 PHE A 19 -8.439 11.613 6.332 1.00 0.00 C ATOM 265 CD2 PHE A 19 -6.644 11.398 7.883 1.00 0.00 C ATOM 266 CE1 PHE A 19 -8.475 12.973 6.557 1.00 0.00 C ATOM 267 CE2 PHE A 19 -6.675 12.757 8.114 1.00 0.00 C ATOM 268 CZ PHE A 19 -7.592 13.546 7.450 1.00 0.00 C ATOM 0 H PHE A 19 -9.926 8.605 6.750 1.00 0.00 H new ATOM 0 HA PHE A 19 -8.074 9.552 4.696 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -7.884 8.820 7.631 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -6.442 9.016 6.655 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -9.134 11.169 5.634 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -5.925 10.785 8.405 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -9.193 13.589 6.035 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -5.983 13.203 8.813 1.00 0.00 H new ATOM 0 HZ PHE A 19 -7.619 14.611 7.629 1.00 0.00 H new ATOM 278 N LEU A 20 -7.351 7.324 3.874 1.00 0.00 N ATOM 279 CA LEU A 20 -6.828 6.055 3.398 1.00 0.00 C ATOM 280 C LEU A 20 -5.812 6.281 2.279 1.00 0.00 C ATOM 281 O LEU A 20 -5.642 7.406 1.802 1.00 0.00 O ATOM 282 CB LEU A 20 -7.979 5.100 2.981 1.00 0.00 C ATOM 283 CG LEU A 20 -8.655 5.289 1.602 1.00 0.00 C ATOM 284 CD1 LEU A 20 -8.690 6.744 1.152 1.00 0.00 C ATOM 285 CD2 LEU A 20 -7.980 4.419 0.554 1.00 0.00 C ATOM 0 H LEU A 20 -7.358 8.069 3.177 1.00 0.00 H new ATOM 0 HA LEU A 20 -6.299 5.563 4.214 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -7.591 4.082 3.019 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -8.757 5.173 3.741 1.00 0.00 H new ATOM 0 HG LEU A 20 -9.692 4.974 1.715 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -9.176 6.812 0.179 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -9.247 7.336 1.878 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -7.672 7.126 1.077 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -8.468 4.565 -0.409 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -6.929 4.696 0.473 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -8.058 3.372 0.845 1.00 0.00 H new ATOM 297 N LEU A 21 -5.092 5.234 1.919 1.00 0.00 N ATOM 298 CA LEU A 21 -4.056 5.337 0.908 1.00 0.00 C ATOM 299 C LEU A 21 -4.239 4.280 -0.166 1.00 0.00 C ATOM 300 O LEU A 21 -4.805 3.219 0.081 1.00 0.00 O ATOM 301 CB LEU A 21 -2.675 5.193 1.542 1.00 0.00 C ATOM 302 CG LEU A 21 -1.577 6.008 0.865 1.00 0.00 C ATOM 303 CD1 LEU A 21 -0.902 6.923 1.865 1.00 0.00 C ATOM 304 CD2 LEU A 21 -0.563 5.088 0.208 1.00 0.00 C ATOM 0 H LEU A 21 -5.206 4.300 2.313 1.00 0.00 H new ATOM 0 HA LEU A 21 -4.136 6.321 0.446 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -2.737 5.491 2.589 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -2.390 4.141 1.526 1.00 0.00 H new ATOM 0 HG LEU A 21 -2.031 6.626 0.090 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -0.122 7.496 1.365 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -1.639 7.605 2.289 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -0.459 6.327 2.663 1.00 0.00 H new ATOM 0 HD21 LEU A 21 0.213 5.685 -0.270 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -0.112 4.445 0.964 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -1.061 4.473 -0.541 1.00 0.00 H new ATOM 316 N TYR A 22 -3.731 4.577 -1.344 1.00 0.00 N ATOM 317 CA TYR A 22 -3.775 3.661 -2.466 1.00 0.00 C ATOM 318 C TYR A 22 -2.352 3.374 -2.930 1.00 0.00 C ATOM 319 O TYR A 22 -1.626 4.292 -3.317 1.00 0.00 O ATOM 320 CB TYR A 22 -4.594 4.255 -3.619 1.00 0.00 C ATOM 321 CG TYR A 22 -5.837 5.017 -3.194 1.00 0.00 C ATOM 322 CD1 TYR A 22 -5.770 6.350 -2.793 1.00 0.00 C ATOM 323 CD2 TYR A 22 -7.081 4.405 -3.215 1.00 0.00 C ATOM 324 CE1 TYR A 22 -6.904 7.041 -2.426 1.00 0.00 C ATOM 325 CE2 TYR A 22 -8.223 5.096 -2.852 1.00 0.00 C ATOM 326 CZ TYR A 22 -8.127 6.413 -2.459 1.00 0.00 C ATOM 327 OH TYR A 22 -9.259 7.109 -2.095 1.00 0.00 O ATOM 0 H TYR A 22 -3.274 5.465 -1.552 1.00 0.00 H new ATOM 0 HA TYR A 22 -4.255 2.734 -2.152 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -3.954 4.925 -4.193 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -4.892 3.447 -4.288 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -4.813 6.850 -2.770 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -7.160 3.372 -3.520 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -6.833 8.072 -2.113 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -9.185 4.606 -2.877 1.00 0.00 H new ATOM 0 HH TYR A 22 -9.002 7.964 -1.691 1.00 0.00 H new ATOM 337 N ALA A 23 -1.921 2.133 -2.781 1.00 0.00 N ATOM 338 CA ALA A 23 -0.551 1.767 -3.110 1.00 0.00 C ATOM 339 C ALA A 23 -0.470 0.347 -3.654 1.00 0.00 C ATOM 340 O ALA A 23 -1.006 -0.590 -3.057 1.00 0.00 O ATOM 341 CB ALA A 23 0.346 1.917 -1.889 1.00 0.00 C ATOM 0 H ALA A 23 -2.496 1.364 -2.436 1.00 0.00 H new ATOM 0 HA ALA A 23 -0.204 2.444 -3.890 1.00 0.00 H new ATOM 0 HB1 ALA A 23 1.367 1.640 -2.151 1.00 0.00 H new ATOM 0 HB2 ALA A 23 0.327 2.952 -1.549 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -0.013 1.267 -1.092 1.00 0.00 H new ATOM 347 N MET A 24 0.217 0.205 -4.786 1.00 0.00 N ATOM 348 CA MET A 24 0.420 -1.087 -5.440 1.00 0.00 C ATOM 349 C MET A 24 -0.909 -1.714 -5.849 1.00 0.00 C ATOM 350 O MET A 24 -1.113 -2.920 -5.684 1.00 0.00 O ATOM 351 CB MET A 24 1.196 -2.046 -4.525 1.00 0.00 C ATOM 352 CG MET A 24 2.700 -1.817 -4.537 1.00 0.00 C ATOM 353 SD MET A 24 3.637 -3.335 -4.815 1.00 0.00 S ATOM 354 CE MET A 24 3.598 -4.058 -3.177 1.00 0.00 C ATOM 0 H MET A 24 0.651 0.986 -5.278 1.00 0.00 H new ATOM 0 HA MET A 24 1.007 -0.910 -6.341 1.00 0.00 H new ATOM 0 HB2 MET A 24 0.829 -1.938 -3.504 1.00 0.00 H new ATOM 0 HB3 MET A 24 0.991 -3.072 -4.831 1.00 0.00 H new ATOM 0 HG2 MET A 24 2.947 -1.095 -5.316 1.00 0.00 H new ATOM 0 HG3 MET A 24 3.003 -1.377 -3.587 1.00 0.00 H new ATOM 0 HE1 MET A 24 4.137 -5.005 -3.184 1.00 0.00 H new ATOM 0 HE2 MET A 24 4.069 -3.378 -2.468 1.00 0.00 H new ATOM 0 HE3 MET A 24 2.564 -4.232 -2.880 1.00 0.00 H new ATOM 364 N ASP A 25 -1.829 -0.873 -6.327 1.00 0.00 N ATOM 365 CA ASP A 25 -3.172 -1.310 -6.727 1.00 0.00 C ATOM 366 C ASP A 25 -3.915 -1.953 -5.562 1.00 0.00 C ATOM 367 O ASP A 25 -4.853 -2.730 -5.755 1.00 0.00 O ATOM 368 CB ASP A 25 -3.115 -2.274 -7.915 1.00 0.00 C ATOM 369 CG ASP A 25 -3.470 -1.603 -9.226 1.00 0.00 C ATOM 370 OD1 ASP A 25 -4.654 -1.253 -9.417 1.00 0.00 O ATOM 371 OD2 ASP A 25 -2.573 -1.432 -10.081 1.00 0.00 O ATOM 0 H ASP A 25 -1.667 0.127 -6.448 1.00 0.00 H new ATOM 0 HA ASP A 25 -3.721 -0.420 -7.035 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -2.113 -2.697 -7.987 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -3.800 -3.104 -7.738 1.00 0.00 H new ATOM 376 N SER A 26 -3.529 -1.577 -4.353 1.00 0.00 N ATOM 377 CA SER A 26 -4.201 -2.039 -3.156 1.00 0.00 C ATOM 378 C SER A 26 -4.468 -0.859 -2.241 1.00 0.00 C ATOM 379 O SER A 26 -3.734 0.128 -2.258 1.00 0.00 O ATOM 380 CB SER A 26 -3.360 -3.097 -2.433 1.00 0.00 C ATOM 381 OG SER A 26 -2.301 -3.560 -3.257 1.00 0.00 O ATOM 0 H SER A 26 -2.746 -0.947 -4.178 1.00 0.00 H new ATOM 0 HA SER A 26 -5.148 -2.499 -3.437 1.00 0.00 H new ATOM 0 HB2 SER A 26 -2.952 -2.676 -1.514 1.00 0.00 H new ATOM 0 HB3 SER A 26 -3.994 -3.936 -2.145 1.00 0.00 H new ATOM 0 HG SER A 26 -1.779 -4.233 -2.772 1.00 0.00 H new ATOM 387 N TYR A 27 -5.554 -0.923 -1.498 1.00 0.00 N ATOM 388 CA TYR A 27 -5.925 0.175 -0.628 1.00 0.00 C ATOM 389 C TYR A 27 -5.466 -0.109 0.796 1.00 0.00 C ATOM 390 O TYR A 27 -5.247 -1.262 1.166 1.00 0.00 O ATOM 391 CB TYR A 27 -7.435 0.422 -0.698 1.00 0.00 C ATOM 392 CG TYR A 27 -7.946 0.611 -2.117 1.00 0.00 C ATOM 393 CD1 TYR A 27 -7.116 1.116 -3.113 1.00 0.00 C ATOM 394 CD2 TYR A 27 -9.249 0.276 -2.463 1.00 0.00 C ATOM 395 CE1 TYR A 27 -7.567 1.283 -4.408 1.00 0.00 C ATOM 396 CE2 TYR A 27 -9.709 0.441 -3.759 1.00 0.00 C ATOM 397 CZ TYR A 27 -8.862 0.946 -4.726 1.00 0.00 C ATOM 398 OH TYR A 27 -9.309 1.116 -6.022 1.00 0.00 O ATOM 0 H TYR A 27 -6.192 -1.719 -1.478 1.00 0.00 H new ATOM 0 HA TYR A 27 -5.427 1.085 -0.964 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -7.956 -0.419 -0.240 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -7.680 1.307 -0.110 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -6.098 1.383 -2.869 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -9.914 -0.119 -1.709 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -6.906 1.676 -5.167 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -10.725 0.176 -4.012 1.00 0.00 H new ATOM 0 HH TYR A 27 -10.245 0.831 -6.085 1.00 0.00 H new ATOM 408 N TRP A 28 -5.152 0.952 1.519 1.00 0.00 N ATOM 409 CA TRP A 28 -4.552 0.852 2.843 1.00 0.00 C ATOM 410 C TRP A 28 -5.120 1.932 3.750 1.00 0.00 C ATOM 411 O TRP A 28 -5.684 2.913 3.265 1.00 0.00 O ATOM 412 CB TRP A 28 -3.028 1.060 2.776 1.00 0.00 C ATOM 413 CG TRP A 28 -2.282 0.160 1.830 1.00 0.00 C ATOM 414 CD1 TRP A 28 -2.274 0.219 0.465 1.00 0.00 C ATOM 415 CD2 TRP A 28 -1.391 -0.901 2.188 1.00 0.00 C ATOM 416 NE1 TRP A 28 -1.454 -0.758 -0.047 1.00 0.00 N ATOM 417 CE2 TRP A 28 -0.900 -1.458 0.992 1.00 0.00 C ATOM 418 CE3 TRP A 28 -0.968 -1.441 3.405 1.00 0.00 C ATOM 419 CZ2 TRP A 28 -0.005 -2.526 0.980 1.00 0.00 C ATOM 420 CZ3 TRP A 28 -0.079 -2.499 3.392 1.00 0.00 C ATOM 421 CH2 TRP A 28 0.393 -3.032 2.188 1.00 0.00 C ATOM 0 H TRP A 28 -5.305 1.911 1.206 1.00 0.00 H new ATOM 0 HA TRP A 28 -4.774 -0.142 3.230 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -2.834 2.094 2.491 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -2.618 0.923 3.777 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -2.831 0.930 -0.126 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -1.286 -0.933 -1.038 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -1.329 -1.039 4.340 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 0.361 -2.939 0.052 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 0.257 -2.921 4.327 1.00 0.00 H new ATOM 0 HH2 TRP A 28 1.086 -3.860 2.212 1.00 0.00 H new ATOM 432 N HIS A 29 -4.730 1.886 5.011 1.00 0.00 N ATOM 433 CA HIS A 29 -4.948 3.008 5.909 1.00 0.00 C ATOM 434 C HIS A 29 -3.692 3.867 5.901 1.00 0.00 C ATOM 435 O HIS A 29 -2.647 3.422 5.423 1.00 0.00 O ATOM 436 CB HIS A 29 -5.236 2.534 7.335 1.00 0.00 C ATOM 437 CG HIS A 29 -6.664 2.169 7.589 1.00 0.00 C ATOM 438 ND1 HIS A 29 -7.045 0.868 7.760 1.00 0.00 N ATOM 439 CD2 HIS A 29 -7.751 2.966 7.727 1.00 0.00 C ATOM 440 CE1 HIS A 29 -8.341 0.885 8.001 1.00 0.00 C ATOM 441 NE2 HIS A 29 -8.819 2.144 7.993 1.00 0.00 N ATOM 0 H HIS A 29 -4.262 1.086 5.437 1.00 0.00 H new ATOM 0 HA HIS A 29 -5.814 3.577 5.569 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -4.609 1.669 7.551 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -4.945 3.320 8.032 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -7.773 4.043 7.644 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -8.941 0.005 8.181 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -9.785 2.431 8.153 1.00 0.00 H new ATOM 449 N SER A 30 -3.773 5.074 6.432 1.00 0.00 N ATOM 450 CA SER A 30 -2.615 5.950 6.466 1.00 0.00 C ATOM 451 C SER A 30 -1.502 5.348 7.327 1.00 0.00 C ATOM 452 O SER A 30 -0.330 5.353 6.942 1.00 0.00 O ATOM 453 CB SER A 30 -3.018 7.324 6.987 1.00 0.00 C ATOM 454 OG SER A 30 -4.419 7.403 7.192 1.00 0.00 O ATOM 0 H SER A 30 -4.620 5.468 6.842 1.00 0.00 H new ATOM 0 HA SER A 30 -2.230 6.059 5.452 1.00 0.00 H new ATOM 0 HB2 SER A 30 -2.499 7.528 7.923 1.00 0.00 H new ATOM 0 HB3 SER A 30 -2.708 8.091 6.277 1.00 0.00 H new ATOM 0 HG SER A 30 -4.633 8.229 7.674 1.00 0.00 H new ATOM 460 N ARG A 31 -1.883 4.795 8.473 1.00 0.00 N ATOM 461 CA ARG A 31 -0.924 4.161 9.373 1.00 0.00 C ATOM 462 C ARG A 31 -0.650 2.717 8.960 1.00 0.00 C ATOM 463 O ARG A 31 0.383 2.151 9.314 1.00 0.00 O ATOM 464 CB ARG A 31 -1.430 4.193 10.813 1.00 0.00 C ATOM 465 CG ARG A 31 -0.334 3.972 11.843 1.00 0.00 C ATOM 466 CD ARG A 31 0.428 5.257 12.131 1.00 0.00 C ATOM 467 NE ARG A 31 -0.472 6.386 12.364 1.00 0.00 N ATOM 468 CZ ARG A 31 -0.953 6.723 13.558 1.00 0.00 C ATOM 469 NH1 ARG A 31 -0.581 6.062 14.648 1.00 0.00 N ATOM 470 NH2 ARG A 31 -1.804 7.732 13.656 1.00 0.00 N ATOM 0 H ARG A 31 -2.848 4.772 8.802 1.00 0.00 H new ATOM 0 HA ARG A 31 0.006 4.725 9.308 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -1.907 5.155 11.001 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -2.196 3.428 10.938 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -0.772 3.593 12.766 1.00 0.00 H new ATOM 0 HG3 ARG A 31 0.358 3.211 11.482 1.00 0.00 H new ATOM 0 HD2 ARG A 31 1.064 5.114 13.005 1.00 0.00 H new ATOM 0 HD3 ARG A 31 1.086 5.485 11.292 1.00 0.00 H new ATOM 0 HE ARG A 31 -0.748 6.951 11.561 1.00 0.00 H new ATOM 0 HH11 ARG A 31 0.079 5.288 14.575 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -0.956 6.328 15.559 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -2.086 8.244 12.820 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -2.178 7.997 14.567 1.00 0.00 H new ATOM 484 N CYS A 32 -1.558 2.135 8.183 1.00 0.00 N ATOM 485 CA CYS A 32 -1.390 0.763 7.728 1.00 0.00 C ATOM 486 C CYS A 32 -0.394 0.709 6.577 1.00 0.00 C ATOM 487 O CYS A 32 0.324 -0.278 6.416 1.00 0.00 O ATOM 488 CB CYS A 32 -2.727 0.171 7.291 1.00 0.00 C ATOM 489 SG CYS A 32 -3.850 -0.270 8.660 1.00 0.00 S ATOM 0 H CYS A 32 -2.411 2.590 7.858 1.00 0.00 H new ATOM 0 HA CYS A 32 -1.005 0.171 8.559 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -3.231 0.887 6.642 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -2.536 -0.721 6.694 1.00 0.00 H new ATOM 0 HG CYS A 32 -5.071 0.036 8.335 1.00 0.00 H new ATOM 494 N LEU A 33 -0.250 1.819 5.873 1.00 0.00 N ATOM 495 CA LEU A 33 0.783 1.931 4.864 1.00 0.00 C ATOM 496 C LEU A 33 2.082 2.369 5.528 1.00 0.00 C ATOM 497 O LEU A 33 2.334 3.562 5.720 1.00 0.00 O ATOM 498 CB LEU A 33 0.379 2.909 3.758 1.00 0.00 C ATOM 499 CG LEU A 33 1.024 2.650 2.390 1.00 0.00 C ATOM 500 CD1 LEU A 33 2.255 3.517 2.212 1.00 0.00 C ATOM 501 CD2 LEU A 33 1.395 1.184 2.223 1.00 0.00 C ATOM 0 H LEU A 33 -0.833 2.649 5.982 1.00 0.00 H new ATOM 0 HA LEU A 33 0.926 0.958 4.394 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -0.704 2.876 3.643 1.00 0.00 H new ATOM 0 HB3 LEU A 33 0.635 3.919 4.077 1.00 0.00 H new ATOM 0 HG LEU A 33 0.292 2.907 1.624 1.00 0.00 H new ATOM 0 HD11 LEU A 33 2.700 3.321 1.237 1.00 0.00 H new ATOM 0 HD12 LEU A 33 1.973 4.568 2.277 1.00 0.00 H new ATOM 0 HD13 LEU A 33 2.978 3.287 2.994 1.00 0.00 H new ATOM 0 HD21 LEU A 33 1.850 1.033 1.244 1.00 0.00 H new ATOM 0 HD22 LEU A 33 2.103 0.897 3.000 1.00 0.00 H new ATOM 0 HD23 LEU A 33 0.498 0.570 2.305 1.00 0.00 H new ATOM 513 N LYS A 34 2.831 1.389 5.992 1.00 0.00 N ATOM 514 CA LYS A 34 4.052 1.632 6.738 1.00 0.00 C ATOM 515 C LYS A 34 5.172 0.769 6.193 1.00 0.00 C ATOM 516 O LYS A 34 4.941 -0.101 5.349 1.00 0.00 O ATOM 517 CB LYS A 34 3.824 1.335 8.225 1.00 0.00 C ATOM 518 CG LYS A 34 3.754 -0.150 8.554 1.00 0.00 C ATOM 519 CD LYS A 34 2.339 -0.587 8.891 1.00 0.00 C ATOM 520 CE LYS A 34 2.154 -2.081 8.682 1.00 0.00 C ATOM 521 NZ LYS A 34 0.891 -2.391 7.966 1.00 0.00 N ATOM 0 H LYS A 34 2.611 0.401 5.863 1.00 0.00 H new ATOM 0 HA LYS A 34 4.334 2.679 6.630 1.00 0.00 H new ATOM 0 HB2 LYS A 34 4.629 1.788 8.803 1.00 0.00 H new ATOM 0 HB3 LYS A 34 2.897 1.812 8.543 1.00 0.00 H new ATOM 0 HG2 LYS A 34 4.121 -0.728 7.706 1.00 0.00 H new ATOM 0 HG3 LYS A 34 4.412 -0.367 9.396 1.00 0.00 H new ATOM 0 HD2 LYS A 34 2.115 -0.333 9.927 1.00 0.00 H new ATOM 0 HD3 LYS A 34 1.630 -0.041 8.269 1.00 0.00 H new ATOM 0 HE2 LYS A 34 2.998 -2.475 8.115 1.00 0.00 H new ATOM 0 HE3 LYS A 34 2.156 -2.585 9.648 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 0.919 -3.372 7.621 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 0.087 -2.275 8.615 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 0.781 -1.743 7.160 1.00 0.00 H new ATOM 535 N CYS A 35 6.385 1.031 6.657 1.00 0.00 N ATOM 536 CA CYS A 35 7.540 0.280 6.223 1.00 0.00 C ATOM 537 C CYS A 35 7.369 -1.194 6.564 1.00 0.00 C ATOM 538 O CYS A 35 6.795 -1.543 7.599 1.00 0.00 O ATOM 539 CB CYS A 35 8.815 0.828 6.872 1.00 0.00 C ATOM 540 SG CYS A 35 10.333 0.003 6.296 1.00 0.00 S ATOM 0 H CYS A 35 6.589 1.763 7.337 1.00 0.00 H new ATOM 0 HA CYS A 35 7.631 0.383 5.142 1.00 0.00 H new ATOM 0 HB2 CYS A 35 8.889 1.895 6.664 1.00 0.00 H new ATOM 0 HB3 CYS A 35 8.739 0.718 7.954 1.00 0.00 H new ATOM 0 HG CYS A 35 11.276 0.885 6.145 1.00 0.00 H new ATOM 545 N SER A 36 7.894 -2.049 5.708 1.00 0.00 N ATOM 546 CA SER A 36 7.832 -3.481 5.933 1.00 0.00 C ATOM 547 C SER A 36 8.971 -3.925 6.844 1.00 0.00 C ATOM 548 O SER A 36 9.018 -5.073 7.290 1.00 0.00 O ATOM 549 CB SER A 36 7.891 -4.223 4.596 1.00 0.00 C ATOM 550 OG SER A 36 7.023 -3.623 3.645 1.00 0.00 O ATOM 0 H SER A 36 8.370 -1.776 4.848 1.00 0.00 H new ATOM 0 HA SER A 36 6.889 -3.721 6.424 1.00 0.00 H new ATOM 0 HB2 SER A 36 8.913 -4.217 4.217 1.00 0.00 H new ATOM 0 HB3 SER A 36 7.612 -5.266 4.742 1.00 0.00 H new ATOM 0 HG SER A 36 7.355 -2.730 3.417 1.00 0.00 H new ATOM 556 N SER A 37 9.894 -3.012 7.110 1.00 0.00 N ATOM 557 CA SER A 37 11.034 -3.317 7.952 1.00 0.00 C ATOM 558 C SER A 37 10.958 -2.572 9.283 1.00 0.00 C ATOM 559 O SER A 37 11.239 -3.148 10.338 1.00 0.00 O ATOM 560 CB SER A 37 12.331 -2.979 7.217 1.00 0.00 C ATOM 561 OG SER A 37 12.591 -3.930 6.198 1.00 0.00 O ATOM 0 H SER A 37 9.873 -2.056 6.754 1.00 0.00 H new ATOM 0 HA SER A 37 11.020 -4.384 8.173 1.00 0.00 H new ATOM 0 HB2 SER A 37 12.259 -1.982 6.782 1.00 0.00 H new ATOM 0 HB3 SER A 37 13.161 -2.959 7.923 1.00 0.00 H new ATOM 0 HG SER A 37 13.424 -3.696 5.737 1.00 0.00 H new ATOM 567 N CYS A 38 10.589 -1.295 9.246 1.00 0.00 N ATOM 568 CA CYS A 38 10.542 -0.493 10.467 1.00 0.00 C ATOM 569 C CYS A 38 9.127 -0.350 11.012 1.00 0.00 C ATOM 570 O CYS A 38 8.942 0.177 12.111 1.00 0.00 O ATOM 571 CB CYS A 38 11.110 0.901 10.212 1.00 0.00 C ATOM 572 SG CYS A 38 12.679 0.911 9.301 1.00 0.00 S ATOM 0 H CYS A 38 10.321 -0.797 8.397 1.00 0.00 H new ATOM 0 HA CYS A 38 11.145 -1.019 11.207 1.00 0.00 H new ATOM 0 HB2 CYS A 38 10.376 1.484 9.655 1.00 0.00 H new ATOM 0 HB3 CYS A 38 11.255 1.402 11.169 1.00 0.00 H new ATOM 0 HG CYS A 38 12.509 0.356 8.138 1.00 0.00 H new ATOM 577 N GLN A 39 8.140 -0.631 10.164 1.00 0.00 N ATOM 578 CA GLN A 39 6.738 -0.343 10.480 1.00 0.00 C ATOM 579 C GLN A 39 6.554 1.164 10.627 1.00 0.00 C ATOM 580 O GLN A 39 5.621 1.638 11.275 1.00 0.00 O ATOM 581 CB GLN A 39 6.280 -1.066 11.754 1.00 0.00 C ATOM 582 CG GLN A 39 6.531 -2.567 11.741 1.00 0.00 C ATOM 583 CD GLN A 39 5.918 -3.257 10.537 1.00 0.00 C ATOM 584 OE1 GLN A 39 4.776 -2.993 10.169 1.00 0.00 O ATOM 585 NE2 GLN A 39 6.672 -4.154 9.927 1.00 0.00 N ATOM 0 H GLN A 39 8.283 -1.059 9.249 1.00 0.00 H new ATOM 0 HA GLN A 39 6.119 -0.712 9.662 1.00 0.00 H new ATOM 0 HB2 GLN A 39 6.794 -0.630 12.611 1.00 0.00 H new ATOM 0 HB3 GLN A 39 5.214 -0.888 11.897 1.00 0.00 H new ATOM 0 HG2 GLN A 39 7.605 -2.751 11.751 1.00 0.00 H new ATOM 0 HG3 GLN A 39 6.124 -3.006 12.652 1.00 0.00 H new ATOM 0 HE21 GLN A 39 7.615 -4.343 10.266 1.00 0.00 H new ATOM 0 HE22 GLN A 39 6.311 -4.658 9.117 1.00 0.00 H new ATOM 594 N ALA A 40 7.473 1.905 10.023 1.00 0.00 N ATOM 595 CA ALA A 40 7.464 3.343 10.067 1.00 0.00 C ATOM 596 C ALA A 40 6.377 3.883 9.170 1.00 0.00 C ATOM 597 O ALA A 40 6.313 3.563 7.982 1.00 0.00 O ATOM 598 CB ALA A 40 8.821 3.899 9.659 1.00 0.00 C ATOM 0 H ALA A 40 8.247 1.513 9.487 1.00 0.00 H new ATOM 0 HA ALA A 40 7.261 3.660 11.090 1.00 0.00 H new ATOM 0 HB1 ALA A 40 8.795 4.988 9.698 1.00 0.00 H new ATOM 0 HB2 ALA A 40 9.586 3.530 10.342 1.00 0.00 H new ATOM 0 HB3 ALA A 40 9.055 3.578 8.644 1.00 0.00 H new ATOM 604 N GLN A 41 5.506 4.651 9.778 1.00 0.00 N ATOM 605 CA GLN A 41 4.376 5.270 9.100 1.00 0.00 C ATOM 606 C GLN A 41 4.820 5.963 7.810 1.00 0.00 C ATOM 607 O GLN A 41 5.690 6.835 7.826 1.00 0.00 O ATOM 608 CB GLN A 41 3.696 6.254 10.066 1.00 0.00 C ATOM 609 CG GLN A 41 3.259 7.569 9.448 1.00 0.00 C ATOM 610 CD GLN A 41 3.296 8.715 10.443 1.00 0.00 C ATOM 611 OE1 GLN A 41 2.307 9.417 10.635 1.00 0.00 O ATOM 612 NE2 GLN A 41 4.436 8.917 11.081 1.00 0.00 N ATOM 0 H GLN A 41 5.557 4.871 10.773 1.00 0.00 H new ATOM 0 HA GLN A 41 3.658 4.502 8.811 1.00 0.00 H new ATOM 0 HB2 GLN A 41 2.823 5.767 10.500 1.00 0.00 H new ATOM 0 HB3 GLN A 41 4.383 6.467 10.885 1.00 0.00 H new ATOM 0 HG2 GLN A 41 3.907 7.804 8.603 1.00 0.00 H new ATOM 0 HG3 GLN A 41 2.248 7.465 9.055 1.00 0.00 H new ATOM 0 HE21 GLN A 41 5.238 8.314 10.896 1.00 0.00 H new ATOM 0 HE22 GLN A 41 4.514 9.676 11.758 1.00 0.00 H new ATOM 621 N LEU A 42 4.315 5.475 6.684 1.00 0.00 N ATOM 622 CA LEU A 42 4.725 5.984 5.384 1.00 0.00 C ATOM 623 C LEU A 42 3.610 6.806 4.753 1.00 0.00 C ATOM 624 O LEU A 42 3.858 7.818 4.102 1.00 0.00 O ATOM 625 CB LEU A 42 5.105 4.832 4.451 1.00 0.00 C ATOM 626 CG LEU A 42 6.451 4.160 4.743 1.00 0.00 C ATOM 627 CD1 LEU A 42 6.676 2.985 3.803 1.00 0.00 C ATOM 628 CD2 LEU A 42 7.594 5.159 4.625 1.00 0.00 C ATOM 0 H LEU A 42 3.621 4.728 6.646 1.00 0.00 H new ATOM 0 HA LEU A 42 5.595 6.623 5.533 1.00 0.00 H new ATOM 0 HB2 LEU A 42 4.323 4.075 4.501 1.00 0.00 H new ATOM 0 HB3 LEU A 42 5.121 5.207 3.428 1.00 0.00 H new ATOM 0 HG LEU A 42 6.428 3.787 5.767 1.00 0.00 H new ATOM 0 HD11 LEU A 42 7.637 2.520 4.025 1.00 0.00 H new ATOM 0 HD12 LEU A 42 5.879 2.254 3.938 1.00 0.00 H new ATOM 0 HD13 LEU A 42 6.674 3.338 2.772 1.00 0.00 H new ATOM 0 HD21 LEU A 42 8.539 4.658 4.837 1.00 0.00 H new ATOM 0 HD22 LEU A 42 7.618 5.567 3.614 1.00 0.00 H new ATOM 0 HD23 LEU A 42 7.445 5.969 5.339 1.00 0.00 H new ATOM 640 N GLY A 43 2.381 6.340 4.904 1.00 0.00 N ATOM 641 CA GLY A 43 1.266 7.025 4.291 1.00 0.00 C ATOM 642 C GLY A 43 0.721 8.148 5.149 1.00 0.00 C ATOM 643 O GLY A 43 0.194 9.136 4.634 1.00 0.00 O ATOM 0 H GLY A 43 2.137 5.505 5.437 1.00 0.00 H new ATOM 0 HA2 GLY A 43 1.579 7.429 3.328 1.00 0.00 H new ATOM 0 HA3 GLY A 43 0.470 6.307 4.092 1.00 0.00 H new ATOM 647 N ASP A 44 0.800 7.968 6.460 1.00 0.00 N ATOM 648 CA ASP A 44 0.235 8.927 7.407 1.00 0.00 C ATOM 649 C ASP A 44 1.101 10.179 7.531 1.00 0.00 C ATOM 650 O ASP A 44 0.706 11.155 8.170 1.00 0.00 O ATOM 651 CB ASP A 44 0.062 8.266 8.777 1.00 0.00 C ATOM 652 CG ASP A 44 -1.129 8.798 9.550 1.00 0.00 C ATOM 653 OD1 ASP A 44 -1.876 9.639 9.013 1.00 0.00 O ATOM 654 OD2 ASP A 44 -1.328 8.369 10.706 1.00 0.00 O ATOM 0 H ASP A 44 1.251 7.164 6.896 1.00 0.00 H new ATOM 0 HA ASP A 44 -0.738 9.238 7.027 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -0.051 7.190 8.643 1.00 0.00 H new ATOM 0 HB3 ASP A 44 0.967 8.420 9.365 1.00 0.00 H new ATOM 659 N ILE A 45 2.256 10.178 6.872 1.00 0.00 N ATOM 660 CA ILE A 45 3.116 11.358 6.864 1.00 0.00 C ATOM 661 C ILE A 45 2.864 12.195 5.616 1.00 0.00 C ATOM 662 O ILE A 45 3.245 13.363 5.558 1.00 0.00 O ATOM 663 CB ILE A 45 4.620 11.011 6.956 1.00 0.00 C ATOM 664 CG1 ILE A 45 4.922 9.677 6.279 1.00 0.00 C ATOM 665 CG2 ILE A 45 5.062 10.983 8.410 1.00 0.00 C ATOM 666 CD1 ILE A 45 6.392 9.461 5.983 1.00 0.00 C ATOM 0 H ILE A 45 2.615 9.384 6.342 1.00 0.00 H new ATOM 0 HA ILE A 45 2.858 11.929 7.756 1.00 0.00 H new ATOM 0 HB ILE A 45 5.180 11.785 6.431 1.00 0.00 H new ATOM 0 HG12 ILE A 45 4.567 8.868 6.917 1.00 0.00 H new ATOM 0 HG13 ILE A 45 4.361 9.618 5.347 1.00 0.00 H new ATOM 0 HG21 ILE A 45 6.123 10.738 8.463 1.00 0.00 H new ATOM 0 HG22 ILE A 45 4.893 11.961 8.861 1.00 0.00 H new ATOM 0 HG23 ILE A 45 4.488 10.230 8.950 1.00 0.00 H new ATOM 0 HD11 ILE A 45 6.528 8.492 5.502 1.00 0.00 H new ATOM 0 HD12 ILE A 45 6.749 10.249 5.319 1.00 0.00 H new ATOM 0 HD13 ILE A 45 6.958 9.487 6.914 1.00 0.00 H new ATOM 677 N GLY A 46 2.157 11.613 4.651 1.00 0.00 N ATOM 678 CA GLY A 46 1.777 12.348 3.458 1.00 0.00 C ATOM 679 C GLY A 46 2.757 12.190 2.310 1.00 0.00 C ATOM 680 O GLY A 46 2.411 12.446 1.155 1.00 0.00 O ATOM 0 H GLY A 46 1.840 10.644 4.675 1.00 0.00 H new ATOM 0 HA2 GLY A 46 0.792 12.013 3.133 1.00 0.00 H new ATOM 0 HA3 GLY A 46 1.688 13.406 3.706 1.00 0.00 H new ATOM 684 N THR A 47 3.983 11.803 2.622 1.00 0.00 N ATOM 685 CA THR A 47 5.020 11.650 1.612 1.00 0.00 C ATOM 686 C THR A 47 4.932 10.283 0.929 1.00 0.00 C ATOM 687 O THR A 47 4.095 9.458 1.292 1.00 0.00 O ATOM 688 CB THR A 47 6.408 11.835 2.249 1.00 0.00 C ATOM 689 OG1 THR A 47 6.278 11.895 3.677 1.00 0.00 O ATOM 690 CG2 THR A 47 7.066 13.111 1.750 1.00 0.00 C ATOM 0 H THR A 47 4.287 11.588 3.572 1.00 0.00 H new ATOM 0 HA THR A 47 4.868 12.417 0.852 1.00 0.00 H new ATOM 0 HB THR A 47 7.032 10.987 1.967 1.00 0.00 H new ATOM 0 HG1 THR A 47 7.168 11.931 4.085 1.00 0.00 H new ATOM 0 HG21 THR A 47 8.046 13.220 2.214 1.00 0.00 H new ATOM 0 HG22 THR A 47 7.181 13.062 0.667 1.00 0.00 H new ATOM 0 HG23 THR A 47 6.444 13.967 2.010 1.00 0.00 H new ATOM 698 N SER A 48 5.750 10.069 -0.098 1.00 0.00 N ATOM 699 CA SER A 48 5.723 8.818 -0.844 1.00 0.00 C ATOM 700 C SER A 48 6.679 7.793 -0.244 1.00 0.00 C ATOM 701 O SER A 48 7.616 8.143 0.477 1.00 0.00 O ATOM 702 CB SER A 48 6.069 9.064 -2.309 1.00 0.00 C ATOM 703 OG SER A 48 6.183 10.450 -2.585 1.00 0.00 O ATOM 0 H SER A 48 6.438 10.745 -0.431 1.00 0.00 H new ATOM 0 HA SER A 48 4.712 8.415 -0.780 1.00 0.00 H new ATOM 0 HB2 SER A 48 7.007 8.564 -2.552 1.00 0.00 H new ATOM 0 HB3 SER A 48 5.300 8.626 -2.945 1.00 0.00 H new ATOM 0 HG SER A 48 6.686 10.578 -3.416 1.00 0.00 H new ATOM 709 N SER A 49 6.429 6.528 -0.543 1.00 0.00 N ATOM 710 CA SER A 49 7.251 5.440 -0.050 1.00 0.00 C ATOM 711 C SER A 49 8.128 4.898 -1.169 1.00 0.00 C ATOM 712 O SER A 49 7.945 5.254 -2.338 1.00 0.00 O ATOM 713 CB SER A 49 6.353 4.334 0.501 1.00 0.00 C ATOM 714 OG SER A 49 5.363 3.968 -0.448 1.00 0.00 O ATOM 0 H SER A 49 5.652 6.230 -1.133 1.00 0.00 H new ATOM 0 HA SER A 49 7.896 5.808 0.748 1.00 0.00 H new ATOM 0 HB2 SER A 49 6.957 3.463 0.757 1.00 0.00 H new ATOM 0 HB3 SER A 49 5.875 4.672 1.420 1.00 0.00 H new ATOM 0 HG SER A 49 4.800 3.257 -0.076 1.00 0.00 H new ATOM 720 N TYR A 50 9.048 4.012 -0.820 1.00 0.00 N ATOM 721 CA TYR A 50 9.914 3.389 -1.801 1.00 0.00 C ATOM 722 C TYR A 50 9.557 1.919 -1.953 1.00 0.00 C ATOM 723 O TYR A 50 9.674 1.143 -1.008 1.00 0.00 O ATOM 724 CB TYR A 50 11.376 3.541 -1.383 1.00 0.00 C ATOM 725 CG TYR A 50 12.099 4.652 -2.108 1.00 0.00 C ATOM 726 CD1 TYR A 50 12.494 4.494 -3.427 1.00 0.00 C ATOM 727 CD2 TYR A 50 12.386 5.857 -1.476 1.00 0.00 C ATOM 728 CE1 TYR A 50 13.158 5.500 -4.098 1.00 0.00 C ATOM 729 CE2 TYR A 50 13.049 6.871 -2.144 1.00 0.00 C ATOM 730 CZ TYR A 50 13.433 6.686 -3.456 1.00 0.00 C ATOM 731 OH TYR A 50 14.089 7.690 -4.135 1.00 0.00 O ATOM 0 H TYR A 50 9.212 3.709 0.140 1.00 0.00 H new ATOM 0 HA TYR A 50 9.773 3.884 -2.762 1.00 0.00 H new ATOM 0 HB2 TYR A 50 11.421 3.729 -0.310 1.00 0.00 H new ATOM 0 HB3 TYR A 50 11.897 2.601 -1.564 1.00 0.00 H new ATOM 0 HD1 TYR A 50 12.278 3.567 -3.938 1.00 0.00 H new ATOM 0 HD2 TYR A 50 12.087 6.003 -0.449 1.00 0.00 H new ATOM 0 HE1 TYR A 50 13.461 5.357 -5.125 1.00 0.00 H new ATOM 0 HE2 TYR A 50 13.265 7.802 -1.641 1.00 0.00 H new ATOM 0 HH TYR A 50 14.207 8.462 -3.543 1.00 0.00 H new ATOM 741 N THR A 51 9.068 1.554 -3.122 1.00 0.00 N ATOM 742 CA THR A 51 8.652 0.187 -3.372 1.00 0.00 C ATOM 743 C THR A 51 9.566 -0.491 -4.384 1.00 0.00 C ATOM 744 O THR A 51 9.615 -0.110 -5.558 1.00 0.00 O ATOM 745 CB THR A 51 7.201 0.137 -3.875 1.00 0.00 C ATOM 746 OG1 THR A 51 6.444 1.189 -3.265 1.00 0.00 O ATOM 747 CG2 THR A 51 6.561 -1.206 -3.560 1.00 0.00 C ATOM 0 H THR A 51 8.949 2.185 -3.914 1.00 0.00 H new ATOM 0 HA THR A 51 8.718 -0.350 -2.426 1.00 0.00 H new ATOM 0 HB THR A 51 7.207 0.268 -4.957 1.00 0.00 H new ATOM 0 HG1 THR A 51 5.552 0.857 -3.033 1.00 0.00 H new ATOM 0 HG21 THR A 51 5.535 -1.215 -3.927 1.00 0.00 H new ATOM 0 HG22 THR A 51 7.127 -2.001 -4.045 1.00 0.00 H new ATOM 0 HG23 THR A 51 6.563 -1.366 -2.482 1.00 0.00 H new ATOM 755 N LYS A 52 10.266 -1.513 -3.925 1.00 0.00 N ATOM 756 CA LYS A 52 11.145 -2.293 -4.777 1.00 0.00 C ATOM 757 C LYS A 52 11.113 -3.747 -4.337 1.00 0.00 C ATOM 758 O LYS A 52 11.064 -4.020 -3.140 1.00 0.00 O ATOM 759 CB LYS A 52 12.573 -1.751 -4.713 1.00 0.00 C ATOM 760 CG LYS A 52 13.258 -1.686 -6.066 1.00 0.00 C ATOM 761 CD LYS A 52 12.816 -0.465 -6.851 1.00 0.00 C ATOM 762 CE LYS A 52 13.411 -0.452 -8.246 1.00 0.00 C ATOM 763 NZ LYS A 52 12.989 0.750 -9.011 1.00 0.00 N ATOM 0 H LYS A 52 10.241 -1.825 -2.954 1.00 0.00 H new ATOM 0 HA LYS A 52 10.800 -2.220 -5.808 1.00 0.00 H new ATOM 0 HB2 LYS A 52 12.555 -0.753 -4.276 1.00 0.00 H new ATOM 0 HB3 LYS A 52 13.162 -2.380 -4.046 1.00 0.00 H new ATOM 0 HG2 LYS A 52 14.339 -1.660 -5.928 1.00 0.00 H new ATOM 0 HG3 LYS A 52 13.031 -2.588 -6.634 1.00 0.00 H new ATOM 0 HD2 LYS A 52 11.728 -0.450 -6.919 1.00 0.00 H new ATOM 0 HD3 LYS A 52 13.115 0.438 -6.319 1.00 0.00 H new ATOM 0 HE2 LYS A 52 14.499 -0.477 -8.178 1.00 0.00 H new ATOM 0 HE3 LYS A 52 13.104 -1.351 -8.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 13.415 0.725 -9.960 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 11.953 0.761 -9.097 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 13.304 1.607 -8.513 1.00 0.00 H new ATOM 777 N SER A 53 11.008 -4.660 -5.304 1.00 0.00 N ATOM 778 CA SER A 53 10.881 -6.093 -5.023 1.00 0.00 C ATOM 779 C SER A 53 9.534 -6.405 -4.386 1.00 0.00 C ATOM 780 O SER A 53 9.391 -7.397 -3.670 1.00 0.00 O ATOM 781 CB SER A 53 11.999 -6.555 -4.089 1.00 0.00 C ATOM 782 OG SER A 53 13.271 -6.361 -4.687 1.00 0.00 O ATOM 0 H SER A 53 11.008 -4.430 -6.298 1.00 0.00 H new ATOM 0 HA SER A 53 10.956 -6.625 -5.971 1.00 0.00 H new ATOM 0 HB2 SER A 53 11.946 -6.003 -3.151 1.00 0.00 H new ATOM 0 HB3 SER A 53 11.864 -7.609 -3.847 1.00 0.00 H new ATOM 0 HG SER A 53 13.720 -5.601 -4.261 1.00 0.00 H new ATOM 788 N GLY A 54 8.600 -5.474 -4.514 1.00 0.00 N ATOM 789 CA GLY A 54 7.341 -5.595 -3.811 1.00 0.00 C ATOM 790 C GLY A 54 7.484 -5.209 -2.352 1.00 0.00 C ATOM 791 O GLY A 54 6.497 -5.107 -1.624 1.00 0.00 O ATOM 0 H GLY A 54 8.692 -4.638 -5.091 1.00 0.00 H new ATOM 0 HA2 GLY A 54 6.594 -4.959 -4.286 1.00 0.00 H new ATOM 0 HA3 GLY A 54 6.979 -6.620 -3.884 1.00 0.00 H new ATOM 795 N MET A 55 8.720 -4.945 -1.941 1.00 0.00 N ATOM 796 CA MET A 55 9.001 -4.523 -0.582 1.00 0.00 C ATOM 797 C MET A 55 8.714 -3.043 -0.434 1.00 0.00 C ATOM 798 O MET A 55 9.356 -2.201 -1.064 1.00 0.00 O ATOM 799 CB MET A 55 10.458 -4.803 -0.186 1.00 0.00 C ATOM 800 CG MET A 55 11.016 -6.109 -0.726 1.00 0.00 C ATOM 801 SD MET A 55 11.727 -7.154 0.559 1.00 0.00 S ATOM 802 CE MET A 55 13.143 -7.814 -0.320 1.00 0.00 C ATOM 0 H MET A 55 9.545 -5.018 -2.537 1.00 0.00 H new ATOM 0 HA MET A 55 8.355 -5.098 0.082 1.00 0.00 H new ATOM 0 HB2 MET A 55 11.082 -3.982 -0.539 1.00 0.00 H new ATOM 0 HB3 MET A 55 10.530 -4.813 0.902 1.00 0.00 H new ATOM 0 HG2 MET A 55 10.221 -6.656 -1.233 1.00 0.00 H new ATOM 0 HG3 MET A 55 11.779 -5.891 -1.473 1.00 0.00 H new ATOM 0 HE1 MET A 55 13.697 -8.486 0.335 1.00 0.00 H new ATOM 0 HE2 MET A 55 12.803 -8.363 -1.198 1.00 0.00 H new ATOM 0 HE3 MET A 55 13.791 -6.995 -0.633 1.00 0.00 H new ATOM 812 N ILE A 56 7.754 -2.742 0.408 1.00 0.00 N ATOM 813 CA ILE A 56 7.390 -1.367 0.709 1.00 0.00 C ATOM 814 C ILE A 56 8.287 -0.839 1.823 1.00 0.00 C ATOM 815 O ILE A 56 8.164 -1.252 2.977 1.00 0.00 O ATOM 816 CB ILE A 56 5.906 -1.248 1.123 1.00 0.00 C ATOM 817 CG1 ILE A 56 5.004 -1.775 0.003 1.00 0.00 C ATOM 818 CG2 ILE A 56 5.548 0.195 1.457 1.00 0.00 C ATOM 819 CD1 ILE A 56 3.728 -2.418 0.500 1.00 0.00 C ATOM 0 H ILE A 56 7.200 -3.439 0.906 1.00 0.00 H new ATOM 0 HA ILE A 56 7.529 -0.771 -0.193 1.00 0.00 H new ATOM 0 HB ILE A 56 5.749 -1.851 2.017 1.00 0.00 H new ATOM 0 HG12 ILE A 56 4.749 -0.951 -0.664 1.00 0.00 H new ATOM 0 HG13 ILE A 56 5.561 -2.503 -0.587 1.00 0.00 H new ATOM 0 HG21 ILE A 56 4.498 0.252 1.745 1.00 0.00 H new ATOM 0 HG22 ILE A 56 6.170 0.543 2.282 1.00 0.00 H new ATOM 0 HG23 ILE A 56 5.719 0.824 0.583 1.00 0.00 H new ATOM 0 HD11 ILE A 56 3.141 -2.767 -0.350 1.00 0.00 H new ATOM 0 HD12 ILE A 56 3.973 -3.263 1.143 1.00 0.00 H new ATOM 0 HD13 ILE A 56 3.149 -1.688 1.065 1.00 0.00 H new ATOM 830 N LEU A 57 9.289 -0.071 1.437 1.00 0.00 N ATOM 831 CA LEU A 57 10.312 0.373 2.366 1.00 0.00 C ATOM 832 C LEU A 57 10.236 1.874 2.593 1.00 0.00 C ATOM 833 O LEU A 57 9.678 2.615 1.775 1.00 0.00 O ATOM 834 CB LEU A 57 11.695 0.011 1.825 1.00 0.00 C ATOM 835 CG LEU A 57 11.884 -1.459 1.461 1.00 0.00 C ATOM 836 CD1 LEU A 57 12.797 -1.590 0.254 1.00 0.00 C ATOM 837 CD2 LEU A 57 12.443 -2.233 2.646 1.00 0.00 C ATOM 0 H LEU A 57 9.417 0.260 0.481 1.00 0.00 H new ATOM 0 HA LEU A 57 10.143 -0.129 3.319 1.00 0.00 H new ATOM 0 HB2 LEU A 57 11.892 0.616 0.940 1.00 0.00 H new ATOM 0 HB3 LEU A 57 12.442 0.284 2.570 1.00 0.00 H new ATOM 0 HG LEU A 57 10.913 -1.883 1.205 1.00 0.00 H new ATOM 0 HD11 LEU A 57 12.923 -2.644 0.006 1.00 0.00 H new ATOM 0 HD12 LEU A 57 12.355 -1.067 -0.595 1.00 0.00 H new ATOM 0 HD13 LEU A 57 13.769 -1.153 0.484 1.00 0.00 H new ATOM 0 HD21 LEU A 57 12.572 -3.279 2.369 1.00 0.00 H new ATOM 0 HD22 LEU A 57 13.407 -1.813 2.933 1.00 0.00 H new ATOM 0 HD23 LEU A 57 11.752 -2.162 3.486 1.00 0.00 H new ATOM 849 N CYS A 58 10.904 2.324 3.642 1.00 0.00 N ATOM 850 CA CYS A 58 11.037 3.736 3.900 1.00 0.00 C ATOM 851 C CYS A 58 12.154 4.308 3.019 1.00 0.00 C ATOM 852 O CYS A 58 12.885 3.553 2.367 1.00 0.00 O ATOM 853 CB CYS A 58 11.316 3.971 5.391 1.00 0.00 C ATOM 854 SG CYS A 58 12.807 3.128 6.027 1.00 0.00 S ATOM 0 H CYS A 58 11.362 1.724 4.328 1.00 0.00 H new ATOM 0 HA CYS A 58 10.108 4.251 3.653 1.00 0.00 H new ATOM 0 HB2 CYS A 58 11.419 5.042 5.564 1.00 0.00 H new ATOM 0 HB3 CYS A 58 10.452 3.637 5.966 1.00 0.00 H new ATOM 0 HG CYS A 58 12.511 2.487 7.118 1.00 0.00 H new ATOM 859 N ARG A 59 12.242 5.629 2.947 1.00 0.00 N ATOM 860 CA ARG A 59 13.219 6.281 2.076 1.00 0.00 C ATOM 861 C ARG A 59 14.650 5.910 2.462 1.00 0.00 C ATOM 862 O ARG A 59 15.511 5.737 1.598 1.00 0.00 O ATOM 863 CB ARG A 59 13.053 7.800 2.117 1.00 0.00 C ATOM 864 CG ARG A 59 13.726 8.508 0.950 1.00 0.00 C ATOM 865 CD ARG A 59 13.408 9.997 0.928 1.00 0.00 C ATOM 866 NE ARG A 59 12.051 10.284 1.390 1.00 0.00 N ATOM 867 CZ ARG A 59 11.007 10.447 0.579 1.00 0.00 C ATOM 868 NH1 ARG A 59 11.163 10.346 -0.736 1.00 0.00 N ATOM 869 NH2 ARG A 59 9.810 10.719 1.083 1.00 0.00 N ATOM 0 H ARG A 59 11.653 6.271 3.478 1.00 0.00 H new ATOM 0 HA ARG A 59 13.034 5.927 1.062 1.00 0.00 H new ATOM 0 HB2 ARG A 59 11.990 8.043 2.117 1.00 0.00 H new ATOM 0 HB3 ARG A 59 13.467 8.179 3.051 1.00 0.00 H new ATOM 0 HG2 ARG A 59 14.805 8.368 1.014 1.00 0.00 H new ATOM 0 HG3 ARG A 59 13.401 8.054 0.014 1.00 0.00 H new ATOM 0 HD2 ARG A 59 14.123 10.528 1.557 1.00 0.00 H new ATOM 0 HD3 ARG A 59 13.532 10.377 -0.086 1.00 0.00 H new ATOM 0 HE ARG A 59 11.894 10.364 2.395 1.00 0.00 H new ATOM 0 HH11 ARG A 59 12.083 10.143 -1.126 1.00 0.00 H new ATOM 0 HH12 ARG A 59 10.362 10.471 -1.356 1.00 0.00 H new ATOM 0 HH21 ARG A 59 9.689 10.803 2.092 1.00 0.00 H new ATOM 0 HH22 ARG A 59 9.011 10.844 0.461 1.00 0.00 H new ATOM 883 N ASN A 60 14.903 5.804 3.757 1.00 0.00 N ATOM 884 CA ASN A 60 16.233 5.465 4.247 1.00 0.00 C ATOM 885 C ASN A 60 16.544 3.995 3.984 1.00 0.00 C ATOM 886 O ASN A 60 17.639 3.657 3.538 1.00 0.00 O ATOM 887 CB ASN A 60 16.347 5.769 5.746 1.00 0.00 C ATOM 888 CG ASN A 60 17.682 5.349 6.337 1.00 0.00 C ATOM 889 OD1 ASN A 60 18.737 5.850 5.950 1.00 0.00 O ATOM 890 ND2 ASN A 60 17.638 4.433 7.290 1.00 0.00 N ATOM 0 H ASN A 60 14.207 5.947 4.488 1.00 0.00 H new ATOM 0 HA ASN A 60 16.959 6.075 3.710 1.00 0.00 H new ATOM 0 HB2 ASN A 60 16.205 6.838 5.906 1.00 0.00 H new ATOM 0 HB3 ASN A 60 15.544 5.258 6.277 1.00 0.00 H new ATOM 0 HD21 ASN A 60 18.500 4.117 7.733 1.00 0.00 H new ATOM 0 HD22 ASN A 60 16.742 4.043 7.582 1.00 0.00 H new ATOM 897 N ASP A 61 15.562 3.131 4.236 1.00 0.00 N ATOM 898 CA ASP A 61 15.731 1.688 4.054 1.00 0.00 C ATOM 899 C ASP A 61 16.068 1.342 2.619 1.00 0.00 C ATOM 900 O ASP A 61 16.869 0.446 2.365 1.00 0.00 O ATOM 901 CB ASP A 61 14.469 0.939 4.463 1.00 0.00 C ATOM 902 CG ASP A 61 14.592 0.331 5.839 1.00 0.00 C ATOM 903 OD1 ASP A 61 15.729 0.280 6.374 1.00 0.00 O ATOM 904 OD2 ASP A 61 13.572 -0.136 6.373 1.00 0.00 O ATOM 0 H ASP A 61 14.637 3.405 4.568 1.00 0.00 H new ATOM 0 HA ASP A 61 16.560 1.383 4.692 1.00 0.00 H new ATOM 0 HB2 ASP A 61 13.620 1.622 4.443 1.00 0.00 H new ATOM 0 HB3 ASP A 61 14.263 0.153 3.737 1.00 0.00 H new ATOM 909 N TYR A 62 15.434 2.032 1.684 1.00 0.00 N ATOM 910 CA TYR A 62 15.656 1.770 0.272 1.00 0.00 C ATOM 911 C TYR A 62 17.135 1.904 -0.084 1.00 0.00 C ATOM 912 O TYR A 62 17.678 1.098 -0.844 1.00 0.00 O ATOM 913 CB TYR A 62 14.828 2.720 -0.590 1.00 0.00 C ATOM 914 CG TYR A 62 14.979 2.455 -2.068 1.00 0.00 C ATOM 915 CD1 TYR A 62 14.262 1.437 -2.681 1.00 0.00 C ATOM 916 CD2 TYR A 62 15.852 3.206 -2.843 1.00 0.00 C ATOM 917 CE1 TYR A 62 14.408 1.178 -4.030 1.00 0.00 C ATOM 918 CE2 TYR A 62 16.006 2.952 -4.190 1.00 0.00 C ATOM 919 CZ TYR A 62 15.282 1.938 -4.778 1.00 0.00 C ATOM 920 OH TYR A 62 15.435 1.677 -6.120 1.00 0.00 O ATOM 0 H TYR A 62 14.763 2.776 1.877 1.00 0.00 H new ATOM 0 HA TYR A 62 15.341 0.746 0.072 1.00 0.00 H new ATOM 0 HB2 TYR A 62 13.777 2.629 -0.315 1.00 0.00 H new ATOM 0 HB3 TYR A 62 15.125 3.747 -0.378 1.00 0.00 H new ATOM 0 HD1 TYR A 62 13.580 0.839 -2.095 1.00 0.00 H new ATOM 0 HD2 TYR A 62 16.420 4.002 -2.384 1.00 0.00 H new ATOM 0 HE1 TYR A 62 13.841 0.385 -4.496 1.00 0.00 H new ATOM 0 HE2 TYR A 62 16.690 3.544 -4.780 1.00 0.00 H new ATOM 0 HH TYR A 62 16.086 2.302 -6.503 1.00 0.00 H new ATOM 930 N ILE A 63 17.784 2.914 0.481 1.00 0.00 N ATOM 931 CA ILE A 63 19.192 3.167 0.207 1.00 0.00 C ATOM 932 C ILE A 63 20.076 2.113 0.874 1.00 0.00 C ATOM 933 O ILE A 63 21.189 1.844 0.425 1.00 0.00 O ATOM 934 CB ILE A 63 19.612 4.580 0.672 1.00 0.00 C ATOM 935 CG1 ILE A 63 18.538 5.610 0.295 1.00 0.00 C ATOM 936 CG2 ILE A 63 20.954 4.967 0.067 1.00 0.00 C ATOM 937 CD1 ILE A 63 18.287 5.723 -1.197 1.00 0.00 C ATOM 0 H ILE A 63 17.357 3.572 1.133 1.00 0.00 H new ATOM 0 HA ILE A 63 19.328 3.107 -0.873 1.00 0.00 H new ATOM 0 HB ILE A 63 19.715 4.567 1.757 1.00 0.00 H new ATOM 0 HG12 ILE A 63 17.604 5.344 0.791 1.00 0.00 H new ATOM 0 HG13 ILE A 63 18.835 6.586 0.678 1.00 0.00 H new ATOM 0 HG21 ILE A 63 21.232 5.965 0.406 1.00 0.00 H new ATOM 0 HG22 ILE A 63 21.714 4.252 0.381 1.00 0.00 H new ATOM 0 HG23 ILE A 63 20.878 4.962 -1.020 1.00 0.00 H new ATOM 0 HD11 ILE A 63 17.515 6.471 -1.381 1.00 0.00 H new ATOM 0 HD12 ILE A 63 19.207 6.020 -1.699 1.00 0.00 H new ATOM 0 HD13 ILE A 63 17.957 4.759 -1.585 1.00 0.00 H new ATOM 948 N ARG A 64 19.537 1.450 1.885 1.00 0.00 N ATOM 949 CA ARG A 64 20.253 0.372 2.557 1.00 0.00 C ATOM 950 C ARG A 64 20.057 -0.950 1.818 1.00 0.00 C ATOM 951 O ARG A 64 20.982 -1.759 1.712 1.00 0.00 O ATOM 952 CB ARG A 64 19.772 0.233 4.003 1.00 0.00 C ATOM 953 CG ARG A 64 19.592 1.560 4.717 1.00 0.00 C ATOM 954 CD ARG A 64 19.596 1.391 6.227 1.00 0.00 C ATOM 955 NE ARG A 64 20.836 1.880 6.823 1.00 0.00 N ATOM 956 CZ ARG A 64 21.477 1.275 7.821 1.00 0.00 C ATOM 957 NH1 ARG A 64 20.958 0.196 8.397 1.00 0.00 N ATOM 958 NH2 ARG A 64 22.631 1.756 8.251 1.00 0.00 N ATOM 0 H ARG A 64 18.607 1.638 2.260 1.00 0.00 H new ATOM 0 HA ARG A 64 21.315 0.619 2.557 1.00 0.00 H new ATOM 0 HB2 ARG A 64 18.824 -0.305 4.011 1.00 0.00 H new ATOM 0 HB3 ARG A 64 20.488 -0.374 4.558 1.00 0.00 H new ATOM 0 HG2 ARG A 64 20.391 2.242 4.425 1.00 0.00 H new ATOM 0 HG3 ARG A 64 18.653 2.017 4.404 1.00 0.00 H new ATOM 0 HD2 ARG A 64 18.750 1.928 6.655 1.00 0.00 H new ATOM 0 HD3 ARG A 64 19.464 0.338 6.475 1.00 0.00 H new ATOM 0 HE ARG A 64 21.237 2.741 6.451 1.00 0.00 H new ATOM 0 HH11 ARG A 64 20.063 -0.174 8.075 1.00 0.00 H new ATOM 0 HH12 ARG A 64 21.454 -0.263 9.161 1.00 0.00 H new ATOM 0 HH21 ARG A 64 23.029 2.589 7.818 1.00 0.00 H new ATOM 0 HH22 ARG A 64 23.123 1.294 9.015 1.00 0.00 H new ATOM 972 N LEU A 65 18.824 -1.203 1.399 1.00 0.00 N ATOM 973 CA LEU A 65 18.466 -2.469 0.775 1.00 0.00 C ATOM 974 C LEU A 65 18.940 -2.542 -0.676 1.00 0.00 C ATOM 975 O LEU A 65 19.406 -3.588 -1.131 1.00 0.00 O ATOM 976 CB LEU A 65 16.950 -2.675 0.833 1.00 0.00 C ATOM 977 CG LEU A 65 16.500 -3.954 1.539 1.00 0.00 C ATOM 978 CD1 LEU A 65 16.563 -3.779 3.048 1.00 0.00 C ATOM 979 CD2 LEU A 65 15.094 -4.341 1.103 1.00 0.00 C ATOM 0 H LEU A 65 18.051 -0.543 1.481 1.00 0.00 H new ATOM 0 HA LEU A 65 18.967 -3.261 1.332 1.00 0.00 H new ATOM 0 HB2 LEU A 65 16.501 -1.821 1.340 1.00 0.00 H new ATOM 0 HB3 LEU A 65 16.560 -2.683 -0.185 1.00 0.00 H new ATOM 0 HG LEU A 65 17.179 -4.759 1.257 1.00 0.00 H new ATOM 0 HD11 LEU A 65 16.239 -4.699 3.535 1.00 0.00 H new ATOM 0 HD12 LEU A 65 17.587 -3.552 3.346 1.00 0.00 H new ATOM 0 HD13 LEU A 65 15.908 -2.961 3.347 1.00 0.00 H new ATOM 0 HD21 LEU A 65 14.792 -5.254 1.617 1.00 0.00 H new ATOM 0 HD22 LEU A 65 14.401 -3.538 1.353 1.00 0.00 H new ATOM 0 HD23 LEU A 65 15.080 -4.509 0.026 1.00 0.00 H new ATOM 991 N PHE A 66 18.759 -1.458 -1.422 1.00 0.00 N ATOM 992 CA PHE A 66 19.114 -1.452 -2.837 1.00 0.00 C ATOM 993 C PHE A 66 20.198 -0.424 -3.124 1.00 0.00 C ATOM 994 O PHE A 66 21.182 -0.722 -3.801 1.00 0.00 O ATOM 995 CB PHE A 66 17.876 -1.164 -3.691 1.00 0.00 C ATOM 996 CG PHE A 66 16.779 -2.178 -3.515 1.00 0.00 C ATOM 997 CD1 PHE A 66 15.813 -2.012 -2.536 1.00 0.00 C ATOM 998 CD2 PHE A 66 16.723 -3.304 -4.320 1.00 0.00 C ATOM 999 CE1 PHE A 66 14.814 -2.950 -2.362 1.00 0.00 C ATOM 1000 CE2 PHE A 66 15.725 -4.243 -4.152 1.00 0.00 C ATOM 1001 CZ PHE A 66 14.770 -4.067 -3.170 1.00 0.00 C ATOM 0 H PHE A 66 18.372 -0.580 -1.075 1.00 0.00 H new ATOM 0 HA PHE A 66 19.503 -2.437 -3.093 1.00 0.00 H new ATOM 0 HB2 PHE A 66 17.491 -0.176 -3.438 1.00 0.00 H new ATOM 0 HB3 PHE A 66 18.167 -1.133 -4.741 1.00 0.00 H new ATOM 0 HD1 PHE A 66 15.841 -1.139 -1.901 1.00 0.00 H new ATOM 0 HD2 PHE A 66 17.469 -3.449 -5.088 1.00 0.00 H new ATOM 0 HE1 PHE A 66 14.068 -2.809 -1.594 1.00 0.00 H new ATOM 0 HE2 PHE A 66 15.691 -5.115 -4.788 1.00 0.00 H new ATOM 0 HZ PHE A 66 13.991 -4.802 -3.035 1.00 0.00 H new ATOM 1011 N GLY A 67 20.053 0.755 -2.535 1.00 0.00 N ATOM 1012 CA GLY A 67 21.053 1.794 -2.691 1.00 0.00 C ATOM 1013 C GLY A 67 21.255 2.214 -4.133 1.00 0.00 C ATOM 1014 O GLY A 67 20.382 2.862 -4.720 1.00 0.00 O ATOM 0 H GLY A 67 19.258 1.012 -1.950 1.00 0.00 H new ATOM 0 HA2 GLY A 67 20.759 2.664 -2.103 1.00 0.00 H new ATOM 0 HA3 GLY A 67 22.001 1.441 -2.286 1.00 0.00 H new ATOM 1424 N GLU A 102 10.521 6.940 -6.154 1.00 0.00 N ATOM 1425 CA GLU A 102 9.362 6.708 -5.295 1.00 0.00 C ATOM 1426 C GLU A 102 8.066 7.015 -6.047 1.00 0.00 C ATOM 1427 O GLU A 102 7.840 6.481 -7.134 1.00 0.00 O ATOM 1428 CB GLU A 102 9.461 7.534 -4.009 1.00 0.00 C ATOM 1429 CG GLU A 102 10.018 8.928 -4.217 1.00 0.00 C ATOM 1430 CD GLU A 102 9.100 10.006 -3.686 1.00 0.00 C ATOM 1431 OE1 GLU A 102 8.111 10.340 -4.368 1.00 0.00 O ATOM 1432 OE2 GLU A 102 9.352 10.521 -2.583 1.00 0.00 O ATOM 0 HA GLU A 102 9.350 5.655 -5.014 1.00 0.00 H new ATOM 0 HB2 GLU A 102 8.470 7.612 -3.562 1.00 0.00 H new ATOM 0 HB3 GLU A 102 10.092 7.004 -3.296 1.00 0.00 H new ATOM 0 HG2 GLU A 102 10.987 9.006 -3.724 1.00 0.00 H new ATOM 0 HG3 GLU A 102 10.188 9.092 -5.281 1.00 0.00 H new ATOM 1439 N ARG A 103 7.239 7.898 -5.483 1.00 0.00 N ATOM 1440 CA ARG A 103 5.992 8.331 -6.117 1.00 0.00 C ATOM 1441 C ARG A 103 5.014 7.172 -6.265 1.00 0.00 C ATOM 1442 O ARG A 103 4.117 7.203 -7.109 1.00 0.00 O ATOM 1443 CB ARG A 103 6.267 8.966 -7.485 1.00 0.00 C ATOM 1444 CG ARG A 103 6.894 10.347 -7.400 1.00 0.00 C ATOM 1445 CD ARG A 103 6.219 11.325 -8.346 1.00 0.00 C ATOM 1446 NE ARG A 103 6.249 12.691 -7.829 1.00 0.00 N ATOM 1447 CZ ARG A 103 5.168 13.452 -7.648 1.00 0.00 C ATOM 1448 NH1 ARG A 103 3.968 13.020 -8.025 1.00 0.00 N ATOM 1449 NH2 ARG A 103 5.298 14.663 -7.124 1.00 0.00 N ATOM 0 H ARG A 103 7.414 8.332 -4.577 1.00 0.00 H new ATOM 0 HA ARG A 103 5.538 9.080 -5.468 1.00 0.00 H new ATOM 0 HB2 ARG A 103 6.927 8.311 -8.054 1.00 0.00 H new ATOM 0 HB3 ARG A 103 5.331 9.035 -8.039 1.00 0.00 H new ATOM 0 HG2 ARG A 103 6.821 10.719 -6.378 1.00 0.00 H new ATOM 0 HG3 ARG A 103 7.955 10.281 -7.640 1.00 0.00 H new ATOM 0 HD2 ARG A 103 6.715 11.293 -9.316 1.00 0.00 H new ATOM 0 HD3 ARG A 103 5.185 11.020 -8.506 1.00 0.00 H new ATOM 0 HE ARG A 103 7.157 13.090 -7.590 1.00 0.00 H new ATOM 0 HH11 ARG A 103 3.869 12.101 -8.456 1.00 0.00 H new ATOM 0 HH12 ARG A 103 3.147 13.608 -7.883 1.00 0.00 H new ATOM 0 HH21 ARG A 103 6.221 15.009 -6.861 1.00 0.00 H new ATOM 0 HH22 ARG A 103 4.475 15.249 -6.983 1.00 0.00 H new ATOM 1463 N LEU A 104 5.170 6.159 -5.426 1.00 0.00 N ATOM 1464 CA LEU A 104 4.296 4.997 -5.470 1.00 0.00 C ATOM 1465 C LEU A 104 3.225 5.088 -4.392 1.00 0.00 C ATOM 1466 O LEU A 104 2.572 4.099 -4.066 1.00 0.00 O ATOM 1467 CB LEU A 104 5.103 3.708 -5.311 1.00 0.00 C ATOM 1468 CG LEU A 104 4.892 2.676 -6.422 1.00 0.00 C ATOM 1469 CD1 LEU A 104 6.220 2.287 -7.053 1.00 0.00 C ATOM 1470 CD2 LEU A 104 4.184 1.446 -5.879 1.00 0.00 C ATOM 0 H LEU A 104 5.893 6.118 -4.707 1.00 0.00 H new ATOM 0 HA LEU A 104 3.805 4.979 -6.443 1.00 0.00 H new ATOM 0 HB2 LEU A 104 6.162 3.962 -5.267 1.00 0.00 H new ATOM 0 HB3 LEU A 104 4.845 3.250 -4.356 1.00 0.00 H new ATOM 0 HG LEU A 104 4.265 3.126 -7.191 1.00 0.00 H new ATOM 0 HD11 LEU A 104 6.048 1.553 -7.840 1.00 0.00 H new ATOM 0 HD12 LEU A 104 6.693 3.172 -7.479 1.00 0.00 H new ATOM 0 HD13 LEU A 104 6.872 1.857 -6.293 1.00 0.00 H new ATOM 0 HD21 LEU A 104 4.042 0.723 -6.683 1.00 0.00 H new ATOM 0 HD22 LEU A 104 4.787 0.998 -5.090 1.00 0.00 H new ATOM 0 HD23 LEU A 104 3.214 1.734 -5.475 1.00 0.00 H new ATOM 1482 N ILE A 105 2.990 6.296 -3.901 1.00 0.00 N ATOM 1483 CA ILE A 105 1.933 6.523 -2.932 1.00 0.00 C ATOM 1484 C ILE A 105 0.858 7.425 -3.524 1.00 0.00 C ATOM 1485 O ILE A 105 1.112 8.584 -3.860 1.00 0.00 O ATOM 1486 CB ILE A 105 2.479 7.135 -1.613 1.00 0.00 C ATOM 1487 CG1 ILE A 105 2.936 6.016 -0.673 1.00 0.00 C ATOM 1488 CG2 ILE A 105 1.432 8.012 -0.926 1.00 0.00 C ATOM 1489 CD1 ILE A 105 3.246 6.481 0.737 1.00 0.00 C ATOM 0 H ILE A 105 3.517 7.131 -4.158 1.00 0.00 H new ATOM 0 HA ILE A 105 1.497 5.554 -2.690 1.00 0.00 H new ATOM 0 HB ILE A 105 3.330 7.770 -1.860 1.00 0.00 H new ATOM 0 HG12 ILE A 105 2.159 5.252 -0.630 1.00 0.00 H new ATOM 0 HG13 ILE A 105 3.825 5.544 -1.092 1.00 0.00 H new ATOM 0 HG21 ILE A 105 1.849 8.423 -0.007 1.00 0.00 H new ATOM 0 HG22 ILE A 105 1.147 8.827 -1.591 1.00 0.00 H new ATOM 0 HG23 ILE A 105 0.553 7.412 -0.689 1.00 0.00 H new ATOM 0 HD11 ILE A 105 3.562 5.630 1.340 1.00 0.00 H new ATOM 0 HD12 ILE A 105 4.045 7.222 0.708 1.00 0.00 H new ATOM 0 HD13 ILE A 105 2.354 6.926 1.178 1.00 0.00 H new ATOM 1500 N THR A 106 -0.350 6.907 -3.604 1.00 0.00 N ATOM 1501 CA THR A 106 -1.481 7.696 -4.030 1.00 0.00 C ATOM 1502 C THR A 106 -2.387 7.921 -2.830 1.00 0.00 C ATOM 1503 O THR A 106 -2.879 6.969 -2.233 1.00 0.00 O ATOM 1504 CB THR A 106 -2.248 7.000 -5.174 1.00 0.00 C ATOM 1505 OG1 THR A 106 -1.423 6.960 -6.347 1.00 0.00 O ATOM 1506 CG2 THR A 106 -3.553 7.721 -5.490 1.00 0.00 C ATOM 0 H THR A 106 -0.572 5.937 -3.378 1.00 0.00 H new ATOM 0 HA THR A 106 -1.132 8.654 -4.417 1.00 0.00 H new ATOM 0 HB THR A 106 -2.492 5.987 -4.853 1.00 0.00 H new ATOM 0 HG1 THR A 106 -1.909 6.517 -7.074 1.00 0.00 H new ATOM 0 HG21 THR A 106 -4.067 7.204 -6.300 1.00 0.00 H new ATOM 0 HG22 THR A 106 -4.188 7.729 -4.604 1.00 0.00 H new ATOM 0 HG23 THR A 106 -3.338 8.746 -5.792 1.00 0.00 H new ATOM 1514 N ARG A 107 -2.415 9.145 -2.344 1.00 0.00 N ATOM 1515 CA ARG A 107 -3.103 9.432 -1.104 1.00 0.00 C ATOM 1516 C ARG A 107 -4.178 10.484 -1.313 1.00 0.00 C ATOM 1517 O ARG A 107 -3.894 11.681 -1.364 1.00 0.00 O ATOM 1518 CB ARG A 107 -2.102 9.889 -0.043 1.00 0.00 C ATOM 1519 CG ARG A 107 -2.718 10.083 1.332 1.00 0.00 C ATOM 1520 CD ARG A 107 -2.760 11.551 1.700 1.00 0.00 C ATOM 1521 NE ARG A 107 -3.704 11.822 2.780 1.00 0.00 N ATOM 1522 CZ ARG A 107 -3.400 11.757 4.074 1.00 0.00 C ATOM 1523 NH1 ARG A 107 -2.177 11.417 4.464 1.00 0.00 N ATOM 1524 NH2 ARG A 107 -4.321 12.043 4.980 1.00 0.00 N ATOM 0 H ARG A 107 -1.973 9.951 -2.785 1.00 0.00 H new ATOM 0 HA ARG A 107 -3.589 8.520 -0.758 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -1.300 9.154 0.028 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -1.648 10.827 -0.364 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -3.727 9.671 1.345 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -2.140 9.534 2.075 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -1.764 11.877 2.000 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -3.036 12.136 0.823 1.00 0.00 H new ATOM 0 HE ARG A 107 -4.658 12.078 2.526 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -1.461 11.203 3.769 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -1.953 11.370 5.458 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -5.260 12.312 4.686 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -4.092 11.994 5.973 1.00 0.00 H new ATOM 1538 N LEU A 108 -5.413 10.027 -1.415 1.00 0.00 N ATOM 1539 CA LEU A 108 -6.548 10.914 -1.585 1.00 0.00 C ATOM 1540 C LEU A 108 -7.693 10.456 -0.712 1.00 0.00 C ATOM 1541 O LEU A 108 -8.269 9.389 -0.926 1.00 0.00 O ATOM 1542 CB LEU A 108 -6.983 10.965 -3.050 1.00 0.00 C ATOM 1543 CG LEU A 108 -6.100 11.817 -3.958 1.00 0.00 C ATOM 1544 CD1 LEU A 108 -6.352 11.478 -5.416 1.00 0.00 C ATOM 1545 CD2 LEU A 108 -6.344 13.295 -3.703 1.00 0.00 C ATOM 0 H LEU A 108 -5.656 9.037 -1.383 1.00 0.00 H new ATOM 0 HA LEU A 108 -6.252 11.919 -1.285 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -7.006 9.948 -3.442 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -8.002 11.348 -3.097 1.00 0.00 H new ATOM 0 HG LEU A 108 -5.057 11.597 -3.730 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -5.714 12.095 -6.049 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -6.126 10.426 -5.589 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -7.397 11.669 -5.659 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -5.706 13.888 -4.359 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -7.389 13.531 -3.903 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -6.112 13.528 -2.664 1.00 0.00 H new ATOM 1557 N GLU A 109 -7.973 11.244 0.302 1.00 0.00 N ATOM 1558 CA GLU A 109 -9.021 10.932 1.251 1.00 0.00 C ATOM 1559 C GLU A 109 -10.386 10.956 0.574 1.00 0.00 C ATOM 1560 O GLU A 109 -10.531 11.495 -0.524 1.00 0.00 O ATOM 1561 CB GLU A 109 -8.990 11.926 2.413 1.00 0.00 C ATOM 1562 CG GLU A 109 -8.225 13.207 2.113 1.00 0.00 C ATOM 1563 CD GLU A 109 -6.773 13.116 2.526 1.00 0.00 C ATOM 1564 OE1 GLU A 109 -6.498 12.966 3.733 1.00 0.00 O ATOM 1565 OE2 GLU A 109 -5.893 13.181 1.642 1.00 0.00 O ATOM 0 H GLU A 109 -7.482 12.118 0.493 1.00 0.00 H new ATOM 0 HA GLU A 109 -8.848 9.928 1.638 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -10.014 12.182 2.686 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -8.541 11.442 3.280 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -8.285 13.422 1.046 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -8.697 14.040 2.633 1.00 0.00 H new