USER MOD reduce.3.24.130724 H: found=0, std=0, add=574, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 575 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 51 LYS NZ :NH3+ -127:sc= -1.68! (180deg=-5.05!) USER MOD Set 1.2: A 54 GLN : amide:sc= 0 K(o=-1.7,f=-2.3) USER MOD Set 2.1: A 47 HIS : no HD1:sc= -0.0137 X(o=-0.95,f=-0.94) USER MOD Set 2.2: A 50 GLN : amide:sc= -0.933 K(o=-0.95,f=-1.7) USER MOD Single : A 4 GLN : amide:sc= -0.513 X(o=-0.51,f=-0.54) USER MOD Single : A 5 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 9 ASN : amide:sc= -1.85 K(o=-1.8,f=-3.4!) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= -1.75 K(o=-1.8,f=-0.011) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 26 MET CE :methyl 149:sc= -18.3! (180deg=-21.6!) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= -0.508 K(o=-0.51,f=0) USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 MET CE :methyl 156:sc= -0.137 (180deg=-0.663) USER MOD Single : A 37 ASN : amide:sc= -0.14 K(o=-0.14,f=-1.3!) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 GLN : amide:sc= 0 K(o=0,f=-1.9!) USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 ASN : amide:sc= -0.0797 X(o=-0.08,f=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 GLN : amide:sc= -0.0622 X(o=-0.062,f=-0.31) USER MOD Single : A 67 LYS NZ :NH3+ 163:sc= -0.0411 (180deg=-0.28) USER MOD Single : A 70 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 101 N LEU A 3 4.862 -10.649 -4.060 1.00 0.00 N ATOM 102 CA LEU A 3 4.118 -9.551 -3.452 1.00 0.00 C ATOM 103 C LEU A 3 5.035 -8.368 -3.158 1.00 0.00 C ATOM 104 O LEU A 3 4.570 -7.251 -2.936 1.00 0.00 O ATOM 105 CB LEU A 3 3.443 -10.020 -2.162 1.00 0.00 C ATOM 106 CG LEU A 3 2.134 -9.318 -1.796 1.00 0.00 C ATOM 107 CD1 LEU A 3 1.529 -9.936 -0.545 1.00 0.00 C ATOM 108 CD2 LEU A 3 2.367 -7.827 -1.598 1.00 0.00 C ATOM 0 HA LEU A 3 3.354 -9.227 -4.159 1.00 0.00 H new ATOM 0 HB2 LEU A 3 3.248 -11.089 -2.246 1.00 0.00 H new ATOM 0 HB3 LEU A 3 4.145 -9.888 -1.339 1.00 0.00 H new ATOM 0 HG LEU A 3 1.430 -9.450 -2.618 1.00 0.00 H new ATOM 0 HD11 LEU A 3 0.599 -9.424 -0.300 1.00 0.00 H new ATOM 0 HD12 LEU A 3 1.326 -10.992 -0.723 1.00 0.00 H new ATOM 0 HD13 LEU A 3 2.228 -9.835 0.285 1.00 0.00 H new ATOM 0 HD21 LEU A 3 1.426 -7.343 -1.338 1.00 0.00 H new ATOM 0 HD22 LEU A 3 3.087 -7.675 -0.794 1.00 0.00 H new ATOM 0 HD23 LEU A 3 2.755 -7.394 -2.520 1.00 0.00 H new ATOM 120 N GLN A 4 6.340 -8.623 -3.161 1.00 0.00 N ATOM 121 CA GLN A 4 7.322 -7.578 -2.896 1.00 0.00 C ATOM 122 C GLN A 4 7.306 -6.524 -3.999 1.00 0.00 C ATOM 123 O GLN A 4 7.315 -5.325 -3.724 1.00 0.00 O ATOM 124 CB GLN A 4 8.721 -8.184 -2.773 1.00 0.00 C ATOM 125 CG GLN A 4 9.639 -7.410 -1.841 1.00 0.00 C ATOM 126 CD GLN A 4 9.008 -7.145 -0.488 1.00 0.00 C ATOM 127 OE1 GLN A 4 8.992 -6.011 -0.009 1.00 0.00 O ATOM 128 NE2 GLN A 4 8.483 -8.193 0.136 1.00 0.00 N ATOM 0 H GLN A 4 6.741 -9.543 -3.344 1.00 0.00 H new ATOM 0 HA GLN A 4 7.058 -7.096 -1.955 1.00 0.00 H new ATOM 0 HB2 GLN A 4 8.633 -9.210 -2.414 1.00 0.00 H new ATOM 0 HB3 GLN A 4 9.176 -8.230 -3.762 1.00 0.00 H new ATOM 0 HG2 GLN A 4 10.565 -7.968 -1.703 1.00 0.00 H new ATOM 0 HG3 GLN A 4 9.906 -6.461 -2.306 1.00 0.00 H new ATOM 0 HE21 GLN A 4 8.518 -9.115 -0.298 1.00 0.00 H new ATOM 0 HE22 GLN A 4 8.044 -8.076 1.049 1.00 0.00 H new ATOM 137 N MET A 5 7.284 -6.981 -5.247 1.00 0.00 N ATOM 138 CA MET A 5 7.266 -6.076 -6.390 1.00 0.00 C ATOM 139 C MET A 5 6.135 -5.061 -6.263 1.00 0.00 C ATOM 140 O MET A 5 6.143 -4.022 -6.925 1.00 0.00 O ATOM 141 CB MET A 5 7.113 -6.867 -7.691 1.00 0.00 C ATOM 142 CG MET A 5 5.838 -7.692 -7.754 1.00 0.00 C ATOM 143 SD MET A 5 5.922 -9.008 -8.985 1.00 0.00 S ATOM 144 CE MET A 5 5.425 -8.123 -10.461 1.00 0.00 C ATOM 0 H MET A 5 7.278 -7.971 -5.492 1.00 0.00 H new ATOM 0 HA MET A 5 8.213 -5.537 -6.409 1.00 0.00 H new ATOM 0 HB2 MET A 5 7.130 -6.174 -8.532 1.00 0.00 H new ATOM 0 HB3 MET A 5 7.971 -7.529 -7.807 1.00 0.00 H new ATOM 0 HG2 MET A 5 5.643 -8.128 -6.774 1.00 0.00 H new ATOM 0 HG3 MET A 5 4.997 -7.037 -7.984 1.00 0.00 H new ATOM 0 HE1 MET A 5 5.428 -8.804 -11.312 1.00 0.00 H new ATOM 0 HE2 MET A 5 4.422 -7.719 -10.323 1.00 0.00 H new ATOM 0 HE3 MET A 5 6.122 -7.306 -10.648 1.00 0.00 H new ATOM 154 N ILE A 6 5.163 -5.368 -5.410 1.00 0.00 N ATOM 155 CA ILE A 6 4.026 -4.481 -5.197 1.00 0.00 C ATOM 156 C ILE A 6 4.290 -3.516 -4.046 1.00 0.00 C ATOM 157 O ILE A 6 4.370 -2.304 -4.244 1.00 0.00 O ATOM 158 CB ILE A 6 2.740 -5.276 -4.902 1.00 0.00 C ATOM 159 CG1 ILE A 6 2.583 -6.424 -5.901 1.00 0.00 C ATOM 160 CG2 ILE A 6 1.528 -4.358 -4.946 1.00 0.00 C ATOM 161 CD1 ILE A 6 2.432 -5.961 -7.333 1.00 0.00 C ATOM 0 H ILE A 6 5.140 -6.224 -4.856 1.00 0.00 H new ATOM 0 HA ILE A 6 3.890 -3.915 -6.118 1.00 0.00 H new ATOM 0 HB ILE A 6 2.814 -5.699 -3.900 1.00 0.00 H new ATOM 0 HG12 ILE A 6 3.451 -7.079 -5.829 1.00 0.00 H new ATOM 0 HG13 ILE A 6 1.712 -7.018 -5.626 1.00 0.00 H new ATOM 0 HG21 ILE A 6 0.627 -4.934 -4.736 1.00 0.00 H new ATOM 0 HG22 ILE A 6 1.639 -3.573 -4.198 1.00 0.00 H new ATOM 0 HG23 ILE A 6 1.448 -3.908 -5.936 1.00 0.00 H new ATOM 0 HD11 ILE A 6 2.325 -6.827 -7.986 1.00 0.00 H new ATOM 0 HD12 ILE A 6 1.548 -5.330 -7.420 1.00 0.00 H new ATOM 0 HD13 ILE A 6 3.314 -5.392 -7.626 1.00 0.00 H new ATOM 173 N VAL A 7 4.426 -4.063 -2.842 1.00 0.00 N ATOM 174 CA VAL A 7 4.684 -3.251 -1.659 1.00 0.00 C ATOM 175 C VAL A 7 5.913 -2.371 -1.853 1.00 0.00 C ATOM 176 O VAL A 7 5.982 -1.260 -1.330 1.00 0.00 O ATOM 177 CB VAL A 7 4.887 -4.129 -0.409 1.00 0.00 C ATOM 178 CG1 VAL A 7 3.563 -4.724 0.047 1.00 0.00 C ATOM 179 CG2 VAL A 7 5.905 -5.225 -0.688 1.00 0.00 C ATOM 0 H VAL A 7 4.362 -5.065 -2.660 1.00 0.00 H new ATOM 0 HA VAL A 7 3.808 -2.619 -1.512 1.00 0.00 H new ATOM 0 HB VAL A 7 5.272 -3.502 0.395 1.00 0.00 H new ATOM 0 HG11 VAL A 7 3.726 -5.341 0.931 1.00 0.00 H new ATOM 0 HG12 VAL A 7 2.867 -3.921 0.289 1.00 0.00 H new ATOM 0 HG13 VAL A 7 3.146 -5.337 -0.751 1.00 0.00 H new ATOM 0 HG21 VAL A 7 6.036 -5.836 0.205 1.00 0.00 H new ATOM 0 HG22 VAL A 7 5.550 -5.851 -1.507 1.00 0.00 H new ATOM 0 HG23 VAL A 7 6.859 -4.774 -0.963 1.00 0.00 H new ATOM 189 N GLU A 8 6.882 -2.876 -2.610 1.00 0.00 N ATOM 190 CA GLU A 8 8.110 -2.135 -2.874 1.00 0.00 C ATOM 191 C GLU A 8 7.813 -0.837 -3.619 1.00 0.00 C ATOM 192 O GLU A 8 8.443 0.190 -3.373 1.00 0.00 O ATOM 193 CB GLU A 8 9.084 -2.991 -3.686 1.00 0.00 C ATOM 194 CG GLU A 8 8.703 -3.123 -5.151 1.00 0.00 C ATOM 195 CD GLU A 8 9.799 -3.759 -5.984 1.00 0.00 C ATOM 196 OE1 GLU A 8 10.422 -4.729 -5.505 1.00 0.00 O ATOM 197 OE2 GLU A 8 10.034 -3.285 -7.115 1.00 0.00 O ATOM 0 H GLU A 8 6.841 -3.795 -3.051 1.00 0.00 H new ATOM 0 HA GLU A 8 8.567 -1.887 -1.916 1.00 0.00 H new ATOM 0 HB2 GLU A 8 10.081 -2.557 -3.616 1.00 0.00 H new ATOM 0 HB3 GLU A 8 9.138 -3.985 -3.242 1.00 0.00 H new ATOM 0 HG2 GLU A 8 7.795 -3.721 -5.234 1.00 0.00 H new ATOM 0 HG3 GLU A 8 8.473 -2.136 -5.553 1.00 0.00 H new ATOM 204 N ASN A 9 6.848 -0.893 -4.531 1.00 0.00 N ATOM 205 CA ASN A 9 6.467 0.277 -5.314 1.00 0.00 C ATOM 206 C ASN A 9 6.132 1.454 -4.404 1.00 0.00 C ATOM 207 O ASN A 9 6.355 2.611 -4.760 1.00 0.00 O ATOM 208 CB ASN A 9 5.268 -0.049 -6.207 1.00 0.00 C ATOM 209 CG ASN A 9 5.628 -0.999 -7.333 1.00 0.00 C ATOM 210 OD1 ASN A 9 4.965 -2.016 -7.539 1.00 0.00 O ATOM 211 ND2 ASN A 9 6.683 -0.671 -8.069 1.00 0.00 N ATOM 0 H ASN A 9 6.316 -1.736 -4.746 1.00 0.00 H new ATOM 0 HA ASN A 9 7.314 0.555 -5.942 1.00 0.00 H new ATOM 0 HB2 ASN A 9 4.477 -0.491 -5.601 1.00 0.00 H new ATOM 0 HB3 ASN A 9 4.870 0.874 -6.627 1.00 0.00 H new ATOM 0 HD21 ASN A 9 6.973 -1.272 -8.841 1.00 0.00 H new ATOM 0 HD22 ASN A 9 7.204 0.182 -7.863 1.00 0.00 H new ATOM 218 N VAL A 10 5.594 1.151 -3.226 1.00 0.00 N ATOM 219 CA VAL A 10 5.230 2.184 -2.264 1.00 0.00 C ATOM 220 C VAL A 10 6.412 3.098 -1.965 1.00 0.00 C ATOM 221 O VAL A 10 6.255 4.313 -1.840 1.00 0.00 O ATOM 222 CB VAL A 10 4.724 1.568 -0.945 1.00 0.00 C ATOM 223 CG1 VAL A 10 4.322 2.660 0.034 1.00 0.00 C ATOM 224 CG2 VAL A 10 3.562 0.623 -1.210 1.00 0.00 C ATOM 0 H VAL A 10 5.401 0.199 -2.916 1.00 0.00 H new ATOM 0 HA VAL A 10 4.428 2.769 -2.715 1.00 0.00 H new ATOM 0 HB VAL A 10 5.535 0.993 -0.498 1.00 0.00 H new ATOM 0 HG11 VAL A 10 3.967 2.206 0.959 1.00 0.00 H new ATOM 0 HG12 VAL A 10 5.184 3.293 0.247 1.00 0.00 H new ATOM 0 HG13 VAL A 10 3.527 3.265 -0.402 1.00 0.00 H new ATOM 0 HG21 VAL A 10 3.217 0.197 -0.268 1.00 0.00 H new ATOM 0 HG22 VAL A 10 2.746 1.172 -1.680 1.00 0.00 H new ATOM 0 HG23 VAL A 10 3.889 -0.179 -1.872 1.00 0.00 H new ATOM 234 N LYS A 11 7.596 2.507 -1.852 1.00 0.00 N ATOM 235 CA LYS A 11 8.808 3.268 -1.569 1.00 0.00 C ATOM 236 C LYS A 11 9.074 4.294 -2.666 1.00 0.00 C ATOM 237 O LYS A 11 9.615 5.370 -2.406 1.00 0.00 O ATOM 238 CB LYS A 11 10.006 2.326 -1.434 1.00 0.00 C ATOM 239 CG LYS A 11 9.837 1.277 -0.349 1.00 0.00 C ATOM 240 CD LYS A 11 9.400 1.901 0.966 1.00 0.00 C ATOM 241 CE LYS A 11 9.798 1.035 2.152 1.00 0.00 C ATOM 242 NZ LYS A 11 9.606 1.746 3.446 1.00 0.00 N ATOM 0 H LYS A 11 7.743 1.503 -1.952 1.00 0.00 H new ATOM 0 HA LYS A 11 8.664 3.798 -0.628 1.00 0.00 H new ATOM 0 HB2 LYS A 11 10.173 1.826 -2.388 1.00 0.00 H new ATOM 0 HB3 LYS A 11 10.898 2.915 -1.222 1.00 0.00 H new ATOM 0 HG2 LYS A 11 9.099 0.540 -0.666 1.00 0.00 H new ATOM 0 HG3 LYS A 11 10.778 0.745 -0.206 1.00 0.00 H new ATOM 0 HD2 LYS A 11 9.849 2.889 1.068 1.00 0.00 H new ATOM 0 HD3 LYS A 11 8.319 2.041 0.962 1.00 0.00 H new ATOM 0 HE2 LYS A 11 9.206 0.120 2.149 1.00 0.00 H new ATOM 0 HE3 LYS A 11 10.842 0.739 2.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 9.888 1.123 4.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 10.191 2.606 3.460 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 8.605 2.006 3.554 1.00 0.00 H new ATOM 256 N LEU A 12 8.692 3.955 -3.892 1.00 0.00 N ATOM 257 CA LEU A 12 8.888 4.847 -5.029 1.00 0.00 C ATOM 258 C LEU A 12 7.962 6.056 -4.939 1.00 0.00 C ATOM 259 O LEU A 12 8.345 7.171 -5.292 1.00 0.00 O ATOM 260 CB LEU A 12 8.641 4.098 -6.340 1.00 0.00 C ATOM 261 CG LEU A 12 8.990 4.854 -7.622 1.00 0.00 C ATOM 262 CD1 LEU A 12 7.900 5.859 -7.962 1.00 0.00 C ATOM 263 CD2 LEU A 12 10.335 5.551 -7.481 1.00 0.00 C ATOM 0 H LEU A 12 8.244 3.068 -4.124 1.00 0.00 H new ATOM 0 HA LEU A 12 9.919 5.200 -5.008 1.00 0.00 H new ATOM 0 HB2 LEU A 12 9.216 3.172 -6.320 1.00 0.00 H new ATOM 0 HB3 LEU A 12 7.588 3.818 -6.382 1.00 0.00 H new ATOM 0 HG LEU A 12 9.060 4.134 -8.438 1.00 0.00 H new ATOM 0 HD11 LEU A 12 8.165 6.388 -8.877 1.00 0.00 H new ATOM 0 HD12 LEU A 12 6.955 5.336 -8.106 1.00 0.00 H new ATOM 0 HD13 LEU A 12 7.798 6.575 -7.146 1.00 0.00 H new ATOM 0 HD21 LEU A 12 10.567 6.084 -8.403 1.00 0.00 H new ATOM 0 HD22 LEU A 12 10.293 6.259 -6.653 1.00 0.00 H new ATOM 0 HD23 LEU A 12 11.110 4.810 -7.285 1.00 0.00 H new ATOM 275 N ALA A 13 6.743 5.827 -4.462 1.00 0.00 N ATOM 276 CA ALA A 13 5.764 6.897 -4.321 1.00 0.00 C ATOM 277 C ALA A 13 6.058 7.752 -3.093 1.00 0.00 C ATOM 278 O ALA A 13 5.855 8.966 -3.107 1.00 0.00 O ATOM 279 CB ALA A 13 4.359 6.320 -4.241 1.00 0.00 C ATOM 0 H ALA A 13 6.410 4.909 -4.167 1.00 0.00 H new ATOM 0 HA ALA A 13 5.832 7.536 -5.201 1.00 0.00 H new ATOM 0 HB1 ALA A 13 3.638 7.131 -4.136 1.00 0.00 H new ATOM 0 HB2 ALA A 13 4.144 5.759 -5.150 1.00 0.00 H new ATOM 0 HB3 ALA A 13 4.287 5.656 -3.379 1.00 0.00 H new ATOM 285 N ARG A 14 6.538 7.111 -2.033 1.00 0.00 N ATOM 286 CA ARG A 14 6.858 7.813 -0.796 1.00 0.00 C ATOM 287 C ARG A 14 7.995 8.807 -1.014 1.00 0.00 C ATOM 288 O ARG A 14 8.047 9.855 -0.371 1.00 0.00 O ATOM 289 CB ARG A 14 7.242 6.815 0.298 1.00 0.00 C ATOM 290 CG ARG A 14 7.700 7.472 1.589 1.00 0.00 C ATOM 291 CD ARG A 14 8.364 6.469 2.520 1.00 0.00 C ATOM 292 NE ARG A 14 8.238 6.857 3.922 1.00 0.00 N ATOM 293 CZ ARG A 14 8.770 6.168 4.926 1.00 0.00 C ATOM 294 NH1 ARG A 14 9.459 5.062 4.683 1.00 0.00 N ATOM 295 NH2 ARG A 14 8.612 6.586 6.176 1.00 0.00 N ATOM 0 H ARG A 14 6.714 6.107 -2.006 1.00 0.00 H new ATOM 0 HA ARG A 14 5.972 8.364 -0.481 1.00 0.00 H new ATOM 0 HB2 ARG A 14 6.386 6.175 0.510 1.00 0.00 H new ATOM 0 HB3 ARG A 14 8.038 6.170 -0.074 1.00 0.00 H new ATOM 0 HG2 ARG A 14 8.399 8.276 1.361 1.00 0.00 H new ATOM 0 HG3 ARG A 14 6.845 7.925 2.091 1.00 0.00 H new ATOM 0 HD2 ARG A 14 7.915 5.487 2.374 1.00 0.00 H new ATOM 0 HD3 ARG A 14 9.419 6.379 2.262 1.00 0.00 H new ATOM 0 HE ARG A 14 7.713 7.703 4.143 1.00 0.00 H new ATOM 0 HH11 ARG A 14 9.582 4.738 3.724 1.00 0.00 H new ATOM 0 HH12 ARG A 14 9.866 4.535 5.455 1.00 0.00 H new ATOM 0 HH21 ARG A 14 8.082 7.436 6.366 1.00 0.00 H new ATOM 0 HH22 ARG A 14 9.021 6.057 6.946 1.00 0.00 H new ATOM 309 N GLU A 15 8.903 8.470 -1.924 1.00 0.00 N ATOM 310 CA GLU A 15 10.039 9.333 -2.225 1.00 0.00 C ATOM 311 C GLU A 15 9.600 10.547 -3.038 1.00 0.00 C ATOM 312 O GLU A 15 10.012 11.674 -2.762 1.00 0.00 O ATOM 313 CB GLU A 15 11.111 8.554 -2.990 1.00 0.00 C ATOM 314 CG GLU A 15 12.479 9.216 -2.966 1.00 0.00 C ATOM 315 CD GLU A 15 13.600 8.251 -3.297 1.00 0.00 C ATOM 316 OE1 GLU A 15 14.115 7.596 -2.367 1.00 0.00 O ATOM 317 OE2 GLU A 15 13.963 8.151 -4.488 1.00 0.00 O ATOM 0 H GLU A 15 8.874 7.606 -2.465 1.00 0.00 H new ATOM 0 HA GLU A 15 10.457 9.682 -1.281 1.00 0.00 H new ATOM 0 HB2 GLU A 15 11.193 7.554 -2.565 1.00 0.00 H new ATOM 0 HB3 GLU A 15 10.792 8.435 -4.026 1.00 0.00 H new ATOM 0 HG2 GLU A 15 12.492 10.040 -3.679 1.00 0.00 H new ATOM 0 HG3 GLU A 15 12.654 9.645 -1.979 1.00 0.00 H new ATOM 324 N TYR A 16 8.763 10.308 -4.041 1.00 0.00 N ATOM 325 CA TYR A 16 8.269 11.381 -4.897 1.00 0.00 C ATOM 326 C TYR A 16 7.573 12.459 -4.072 1.00 0.00 C ATOM 327 O TYR A 16 7.722 13.652 -4.337 1.00 0.00 O ATOM 328 CB TYR A 16 7.305 10.823 -5.945 1.00 0.00 C ATOM 329 CG TYR A 16 7.997 10.111 -7.085 1.00 0.00 C ATOM 330 CD1 TYR A 16 9.080 9.272 -6.852 1.00 0.00 C ATOM 331 CD2 TYR A 16 7.566 10.276 -8.396 1.00 0.00 C ATOM 332 CE1 TYR A 16 9.715 8.620 -7.891 1.00 0.00 C ATOM 333 CE2 TYR A 16 8.195 9.626 -9.441 1.00 0.00 C ATOM 334 CZ TYR A 16 9.269 8.800 -9.184 1.00 0.00 C ATOM 335 OH TYR A 16 9.898 8.151 -10.222 1.00 0.00 O ATOM 0 H TYR A 16 8.412 9.381 -4.282 1.00 0.00 H new ATOM 0 HA TYR A 16 9.124 11.831 -5.402 1.00 0.00 H new ATOM 0 HB2 TYR A 16 6.616 10.131 -5.461 1.00 0.00 H new ATOM 0 HB3 TYR A 16 6.706 11.640 -6.348 1.00 0.00 H new ATOM 0 HD1 TYR A 16 9.431 9.127 -5.841 1.00 0.00 H new ATOM 0 HD2 TYR A 16 6.726 10.923 -8.601 1.00 0.00 H new ATOM 0 HE1 TYR A 16 10.556 7.973 -7.692 1.00 0.00 H new ATOM 0 HE2 TYR A 16 7.847 9.764 -10.454 1.00 0.00 H new ATOM 0 HH TYR A 16 9.460 8.385 -11.067 1.00 0.00 H new ATOM 345 N ALA A 17 6.813 12.030 -3.070 1.00 0.00 N ATOM 346 CA ALA A 17 6.095 12.957 -2.204 1.00 0.00 C ATOM 347 C ALA A 17 7.043 13.984 -1.594 1.00 0.00 C ATOM 348 O ALA A 17 6.731 15.174 -1.535 1.00 0.00 O ATOM 349 CB ALA A 17 5.362 12.197 -1.109 1.00 0.00 C ATOM 0 H ALA A 17 6.679 11.046 -2.838 1.00 0.00 H new ATOM 0 HA ALA A 17 5.364 13.491 -2.812 1.00 0.00 H new ATOM 0 HB1 ALA A 17 4.830 12.902 -0.470 1.00 0.00 H new ATOM 0 HB2 ALA A 17 4.649 11.507 -1.560 1.00 0.00 H new ATOM 0 HB3 ALA A 17 6.081 11.637 -0.511 1.00 0.00 H new ATOM 355 N LEU A 18 8.201 13.517 -1.141 1.00 0.00 N ATOM 356 CA LEU A 18 9.196 14.396 -0.534 1.00 0.00 C ATOM 357 C LEU A 18 9.801 15.333 -1.574 1.00 0.00 C ATOM 358 O LEU A 18 9.805 16.552 -1.399 1.00 0.00 O ATOM 359 CB LEU A 18 10.299 13.569 0.127 1.00 0.00 C ATOM 360 CG LEU A 18 9.854 12.269 0.799 1.00 0.00 C ATOM 361 CD1 LEU A 18 11.024 11.606 1.508 1.00 0.00 C ATOM 362 CD2 LEU A 18 8.717 12.536 1.775 1.00 0.00 C ATOM 0 H LEU A 18 8.475 12.535 -1.182 1.00 0.00 H new ATOM 0 HA LEU A 18 8.698 14.999 0.225 1.00 0.00 H new ATOM 0 HB2 LEU A 18 11.046 13.326 -0.629 1.00 0.00 H new ATOM 0 HB3 LEU A 18 10.792 14.190 0.874 1.00 0.00 H new ATOM 0 HG LEU A 18 9.492 11.589 0.028 1.00 0.00 H new ATOM 0 HD11 LEU A 18 10.688 10.683 1.980 1.00 0.00 H new ATOM 0 HD12 LEU A 18 11.807 11.379 0.784 1.00 0.00 H new ATOM 0 HD13 LEU A 18 11.418 12.280 2.269 1.00 0.00 H new ATOM 0 HD21 LEU A 18 8.413 11.600 2.244 1.00 0.00 H new ATOM 0 HD22 LEU A 18 9.052 13.234 2.542 1.00 0.00 H new ATOM 0 HD23 LEU A 18 7.870 12.965 1.239 1.00 0.00 H new ATOM 374 N LEU A 19 10.310 14.757 -2.658 1.00 0.00 N ATOM 375 CA LEU A 19 10.916 15.541 -3.728 1.00 0.00 C ATOM 376 C LEU A 19 10.014 16.703 -4.130 1.00 0.00 C ATOM 377 O LEU A 19 10.490 17.745 -4.579 1.00 0.00 O ATOM 378 CB LEU A 19 11.194 14.653 -4.942 1.00 0.00 C ATOM 379 CG LEU A 19 11.989 13.375 -4.672 1.00 0.00 C ATOM 380 CD1 LEU A 19 12.543 12.807 -5.969 1.00 0.00 C ATOM 381 CD2 LEU A 19 13.113 13.646 -3.682 1.00 0.00 C ATOM 0 H LEU A 19 10.315 13.750 -2.819 1.00 0.00 H new ATOM 0 HA LEU A 19 11.858 15.947 -3.359 1.00 0.00 H new ATOM 0 HB2 LEU A 19 10.240 14.375 -5.390 1.00 0.00 H new ATOM 0 HB3 LEU A 19 11.734 15.243 -5.682 1.00 0.00 H new ATOM 0 HG LEU A 19 11.317 12.637 -4.235 1.00 0.00 H new ATOM 0 HD11 LEU A 19 13.106 11.898 -5.757 1.00 0.00 H new ATOM 0 HD12 LEU A 19 11.720 12.575 -6.645 1.00 0.00 H new ATOM 0 HD13 LEU A 19 13.201 13.540 -6.436 1.00 0.00 H new ATOM 0 HD21 LEU A 19 13.668 12.726 -3.501 1.00 0.00 H new ATOM 0 HD22 LEU A 19 13.784 14.401 -4.092 1.00 0.00 H new ATOM 0 HD23 LEU A 19 12.692 14.006 -2.743 1.00 0.00 H new ATOM 393 N GLY A 20 8.708 16.518 -3.962 1.00 0.00 N ATOM 394 CA GLY A 20 7.760 17.560 -4.310 1.00 0.00 C ATOM 395 C GLY A 20 6.639 17.053 -5.195 1.00 0.00 C ATOM 396 O GLY A 20 5.608 17.708 -5.339 1.00 0.00 O ATOM 0 H GLY A 20 8.290 15.665 -3.591 1.00 0.00 H new ATOM 0 HA2 GLY A 20 7.337 17.981 -3.398 1.00 0.00 H new ATOM 0 HA3 GLY A 20 8.284 18.368 -4.820 1.00 0.00 H new ATOM 400 N ASN A 21 6.841 15.882 -5.790 1.00 0.00 N ATOM 401 CA ASN A 21 5.839 15.288 -6.668 1.00 0.00 C ATOM 402 C ASN A 21 4.935 14.334 -5.894 1.00 0.00 C ATOM 403 O ASN A 21 5.235 13.148 -5.759 1.00 0.00 O ATOM 404 CB ASN A 21 6.518 14.543 -7.820 1.00 0.00 C ATOM 405 CG ASN A 21 5.668 14.523 -9.075 1.00 0.00 C ATOM 406 OD1 ASN A 21 6.185 14.409 -10.187 1.00 0.00 O ATOM 407 ND2 ASN A 21 4.355 14.634 -8.903 1.00 0.00 N ATOM 0 H ASN A 21 7.689 15.326 -5.680 1.00 0.00 H new ATOM 0 HA ASN A 21 5.226 16.092 -7.075 1.00 0.00 H new ATOM 0 HB2 ASN A 21 7.475 15.015 -8.040 1.00 0.00 H new ATOM 0 HB3 ASN A 21 6.731 13.519 -7.512 1.00 0.00 H new ATOM 0 HD21 ASN A 21 3.732 14.627 -9.711 1.00 0.00 H new ATOM 0 HD22 ASN A 21 3.970 14.726 -7.963 1.00 0.00 H new ATOM 414 N TYR A 22 3.825 14.861 -5.387 1.00 0.00 N ATOM 415 CA TYR A 22 2.877 14.058 -4.624 1.00 0.00 C ATOM 416 C TYR A 22 1.817 13.452 -5.539 1.00 0.00 C ATOM 417 O TYR A 22 1.386 12.316 -5.342 1.00 0.00 O ATOM 418 CB TYR A 22 2.209 14.909 -3.544 1.00 0.00 C ATOM 419 CG TYR A 22 3.158 15.858 -2.847 1.00 0.00 C ATOM 420 CD1 TYR A 22 3.549 17.047 -3.450 1.00 0.00 C ATOM 421 CD2 TYR A 22 3.664 15.565 -1.587 1.00 0.00 C ATOM 422 CE1 TYR A 22 4.417 17.917 -2.818 1.00 0.00 C ATOM 423 CE2 TYR A 22 4.530 16.430 -0.946 1.00 0.00 C ATOM 424 CZ TYR A 22 4.904 17.604 -1.566 1.00 0.00 C ATOM 425 OH TYR A 22 5.768 18.467 -0.932 1.00 0.00 O ATOM 0 H TYR A 22 3.560 15.841 -5.491 1.00 0.00 H new ATOM 0 HA TYR A 22 3.427 13.246 -4.148 1.00 0.00 H new ATOM 0 HB2 TYR A 22 1.400 15.484 -3.995 1.00 0.00 H new ATOM 0 HB3 TYR A 22 1.757 14.250 -2.802 1.00 0.00 H new ATOM 0 HD1 TYR A 22 3.168 17.296 -4.430 1.00 0.00 H new ATOM 0 HD2 TYR A 22 3.376 14.645 -1.100 1.00 0.00 H new ATOM 0 HE1 TYR A 22 4.712 18.836 -3.301 1.00 0.00 H new ATOM 0 HE2 TYR A 22 4.912 16.188 0.035 1.00 0.00 H new ATOM 0 HH TYR A 22 6.016 18.099 -0.058 1.00 0.00 H new ATOM 435 N ASP A 23 1.400 14.220 -6.540 1.00 0.00 N ATOM 436 CA ASP A 23 0.392 13.760 -7.488 1.00 0.00 C ATOM 437 C ASP A 23 0.764 12.396 -8.058 1.00 0.00 C ATOM 438 O ASP A 23 -0.101 11.549 -8.282 1.00 0.00 O ATOM 439 CB ASP A 23 0.227 14.774 -8.621 1.00 0.00 C ATOM 440 CG ASP A 23 -1.167 14.756 -9.215 1.00 0.00 C ATOM 441 OD1 ASP A 23 -1.590 13.689 -9.706 1.00 0.00 O ATOM 442 OD2 ASP A 23 -1.837 15.811 -9.191 1.00 0.00 O ATOM 0 H ASP A 23 1.745 15.164 -6.716 1.00 0.00 H new ATOM 0 HA ASP A 23 -0.555 13.664 -6.956 1.00 0.00 H new ATOM 0 HB2 ASP A 23 0.446 15.773 -8.245 1.00 0.00 H new ATOM 0 HB3 ASP A 23 0.955 14.562 -9.404 1.00 0.00 H new ATOM 447 N SER A 24 2.056 12.190 -8.293 1.00 0.00 N ATOM 448 CA SER A 24 2.543 10.930 -8.842 1.00 0.00 C ATOM 449 C SER A 24 2.483 9.822 -7.796 1.00 0.00 C ATOM 450 O SER A 24 2.259 8.657 -8.122 1.00 0.00 O ATOM 451 CB SER A 24 3.977 11.091 -9.350 1.00 0.00 C ATOM 452 OG SER A 24 3.998 11.663 -10.646 1.00 0.00 O ATOM 0 H SER A 24 2.785 12.880 -8.112 1.00 0.00 H new ATOM 0 HA SER A 24 1.899 10.653 -9.676 1.00 0.00 H new ATOM 0 HB2 SER A 24 4.541 11.721 -8.662 1.00 0.00 H new ATOM 0 HB3 SER A 24 4.470 10.119 -9.370 1.00 0.00 H new ATOM 0 HG SER A 24 4.926 11.757 -10.947 1.00 0.00 H new ATOM 458 N ALA A 25 2.685 10.195 -6.536 1.00 0.00 N ATOM 459 CA ALA A 25 2.653 9.234 -5.441 1.00 0.00 C ATOM 460 C ALA A 25 1.291 8.553 -5.348 1.00 0.00 C ATOM 461 O ALA A 25 1.205 7.333 -5.220 1.00 0.00 O ATOM 462 CB ALA A 25 2.992 9.921 -4.126 1.00 0.00 C ATOM 0 H ALA A 25 2.872 11.156 -6.249 1.00 0.00 H new ATOM 0 HA ALA A 25 3.401 8.467 -5.641 1.00 0.00 H new ATOM 0 HB1 ALA A 25 2.964 9.191 -3.317 1.00 0.00 H new ATOM 0 HB2 ALA A 25 3.990 10.355 -4.189 1.00 0.00 H new ATOM 0 HB3 ALA A 25 2.265 10.709 -3.929 1.00 0.00 H new ATOM 468 N MET A 26 0.230 9.351 -5.412 1.00 0.00 N ATOM 469 CA MET A 26 -1.128 8.825 -5.335 1.00 0.00 C ATOM 470 C MET A 26 -1.386 7.823 -6.456 1.00 0.00 C ATOM 471 O MET A 26 -2.127 6.856 -6.280 1.00 0.00 O ATOM 472 CB MET A 26 -2.145 9.965 -5.410 1.00 0.00 C ATOM 473 CG MET A 26 -1.912 11.055 -4.377 1.00 0.00 C ATOM 474 SD MET A 26 -1.548 10.394 -2.739 1.00 0.00 S ATOM 475 CE MET A 26 0.214 10.107 -2.874 1.00 0.00 C ATOM 0 H MET A 26 0.285 10.364 -5.517 1.00 0.00 H new ATOM 0 HA MET A 26 -1.239 8.312 -4.380 1.00 0.00 H new ATOM 0 HB2 MET A 26 -2.111 10.406 -6.406 1.00 0.00 H new ATOM 0 HB3 MET A 26 -3.147 9.557 -5.276 1.00 0.00 H new ATOM 0 HG2 MET A 26 -1.085 11.687 -4.701 1.00 0.00 H new ATOM 0 HG3 MET A 26 -2.796 11.691 -4.320 1.00 0.00 H new ATOM 0 HE1 MET A 26 0.680 10.237 -1.897 1.00 0.00 H new ATOM 0 HE2 MET A 26 0.391 9.091 -3.228 1.00 0.00 H new ATOM 0 HE3 MET A 26 0.645 10.818 -3.579 1.00 0.00 H new ATOM 485 N VAL A 27 -0.771 8.061 -7.610 1.00 0.00 N ATOM 486 CA VAL A 27 -0.934 7.179 -8.760 1.00 0.00 C ATOM 487 C VAL A 27 -0.395 5.784 -8.463 1.00 0.00 C ATOM 488 O VAL A 27 -1.057 4.781 -8.734 1.00 0.00 O ATOM 489 CB VAL A 27 -0.219 7.740 -10.003 1.00 0.00 C ATOM 490 CG1 VAL A 27 -0.398 6.805 -11.190 1.00 0.00 C ATOM 491 CG2 VAL A 27 -0.733 9.134 -10.330 1.00 0.00 C ATOM 0 H VAL A 27 -0.155 8.857 -7.774 1.00 0.00 H new ATOM 0 HA VAL A 27 -2.003 7.117 -8.963 1.00 0.00 H new ATOM 0 HB VAL A 27 0.847 7.812 -9.785 1.00 0.00 H new ATOM 0 HG11 VAL A 27 0.114 7.218 -12.059 1.00 0.00 H new ATOM 0 HG12 VAL A 27 0.023 5.829 -10.951 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -1.460 6.698 -11.412 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -0.217 9.515 -11.211 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -1.804 9.090 -10.528 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -0.547 9.798 -9.486 1.00 0.00 H new ATOM 501 N TYR A 28 0.808 5.727 -7.905 1.00 0.00 N ATOM 502 CA TYR A 28 1.438 4.454 -7.572 1.00 0.00 C ATOM 503 C TYR A 28 0.734 3.791 -6.393 1.00 0.00 C ATOM 504 O TYR A 28 0.454 2.592 -6.416 1.00 0.00 O ATOM 505 CB TYR A 28 2.917 4.663 -7.246 1.00 0.00 C ATOM 506 CG TYR A 28 3.824 4.554 -8.452 1.00 0.00 C ATOM 507 CD1 TYR A 28 3.880 5.570 -9.397 1.00 0.00 C ATOM 508 CD2 TYR A 28 4.625 3.435 -8.644 1.00 0.00 C ATOM 509 CE1 TYR A 28 4.707 5.475 -10.500 1.00 0.00 C ATOM 510 CE2 TYR A 28 5.455 3.331 -9.743 1.00 0.00 C ATOM 511 CZ TYR A 28 5.492 4.354 -10.669 1.00 0.00 C ATOM 512 OH TYR A 28 6.318 4.255 -11.765 1.00 0.00 O ATOM 0 H TYR A 28 1.368 6.548 -7.673 1.00 0.00 H new ATOM 0 HA TYR A 28 1.354 3.798 -8.438 1.00 0.00 H new ATOM 0 HB2 TYR A 28 3.045 5.646 -6.793 1.00 0.00 H new ATOM 0 HB3 TYR A 28 3.224 3.927 -6.503 1.00 0.00 H new ATOM 0 HD1 TYR A 28 3.267 6.450 -9.268 1.00 0.00 H new ATOM 0 HD2 TYR A 28 4.598 2.633 -7.921 1.00 0.00 H new ATOM 0 HE1 TYR A 28 4.738 6.274 -11.226 1.00 0.00 H new ATOM 0 HE2 TYR A 28 6.071 2.454 -9.877 1.00 0.00 H new ATOM 0 HH TYR A 28 6.803 3.404 -11.733 1.00 0.00 H new ATOM 522 N TYR A 29 0.451 4.579 -5.362 1.00 0.00 N ATOM 523 CA TYR A 29 -0.218 4.069 -4.171 1.00 0.00 C ATOM 524 C TYR A 29 -1.531 3.382 -4.536 1.00 0.00 C ATOM 525 O TYR A 29 -1.787 2.251 -4.123 1.00 0.00 O ATOM 526 CB TYR A 29 -0.483 5.206 -3.183 1.00 0.00 C ATOM 527 CG TYR A 29 0.639 5.420 -2.191 1.00 0.00 C ATOM 528 CD1 TYR A 29 0.898 4.488 -1.194 1.00 0.00 C ATOM 529 CD2 TYR A 29 1.438 6.555 -2.251 1.00 0.00 C ATOM 530 CE1 TYR A 29 1.921 4.679 -0.286 1.00 0.00 C ATOM 531 CE2 TYR A 29 2.465 6.754 -1.348 1.00 0.00 C ATOM 532 CZ TYR A 29 2.702 5.813 -0.367 1.00 0.00 C ATOM 533 OH TYR A 29 3.722 6.008 0.535 1.00 0.00 O ATOM 0 H TYR A 29 0.674 5.574 -5.327 1.00 0.00 H new ATOM 0 HA TYR A 29 0.438 3.335 -3.703 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -0.646 6.129 -3.739 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -1.403 4.996 -2.638 1.00 0.00 H new ATOM 0 HD1 TYR A 29 0.289 3.599 -1.128 1.00 0.00 H new ATOM 0 HD2 TYR A 29 1.253 7.294 -3.016 1.00 0.00 H new ATOM 0 HE1 TYR A 29 2.108 3.944 0.483 1.00 0.00 H new ATOM 0 HE2 TYR A 29 3.078 7.641 -1.410 1.00 0.00 H new ATOM 0 HH TYR A 29 4.175 6.854 0.338 1.00 0.00 H new ATOM 543 N GLN A 30 -2.358 4.074 -5.312 1.00 0.00 N ATOM 544 CA GLN A 30 -3.644 3.531 -5.733 1.00 0.00 C ATOM 545 C GLN A 30 -3.467 2.177 -6.413 1.00 0.00 C ATOM 546 O GLN A 30 -4.295 1.281 -6.257 1.00 0.00 O ATOM 547 CB GLN A 30 -4.346 4.504 -6.683 1.00 0.00 C ATOM 548 CG GLN A 30 -5.654 3.970 -7.242 1.00 0.00 C ATOM 549 CD GLN A 30 -6.840 4.277 -6.348 1.00 0.00 C ATOM 550 OE1 GLN A 30 -7.711 5.071 -6.704 1.00 0.00 O ATOM 551 NE2 GLN A 30 -6.879 3.648 -5.180 1.00 0.00 N ATOM 0 H GLN A 30 -2.161 5.012 -5.662 1.00 0.00 H new ATOM 0 HA GLN A 30 -4.260 3.393 -4.844 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -4.540 5.438 -6.155 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -3.676 4.739 -7.510 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -5.826 4.401 -8.228 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -5.574 2.891 -7.375 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -6.135 2.998 -4.926 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -7.653 3.815 -4.537 1.00 0.00 H new ATOM 560 N GLY A 31 -2.382 2.037 -7.168 1.00 0.00 N ATOM 561 CA GLY A 31 -2.116 0.789 -7.860 1.00 0.00 C ATOM 562 C GLY A 31 -1.656 -0.308 -6.922 1.00 0.00 C ATOM 563 O GLY A 31 -2.098 -1.453 -7.029 1.00 0.00 O ATOM 0 H GLY A 31 -1.682 2.765 -7.313 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -3.019 0.465 -8.378 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -1.354 0.955 -8.621 1.00 0.00 H new ATOM 567 N VAL A 32 -0.765 0.039 -5.999 1.00 0.00 N ATOM 568 CA VAL A 32 -0.244 -0.926 -5.038 1.00 0.00 C ATOM 569 C VAL A 32 -1.372 -1.575 -4.244 1.00 0.00 C ATOM 570 O VAL A 32 -1.454 -2.800 -4.149 1.00 0.00 O ATOM 571 CB VAL A 32 0.744 -0.265 -4.058 1.00 0.00 C ATOM 572 CG1 VAL A 32 1.132 -1.236 -2.954 1.00 0.00 C ATOM 573 CG2 VAL A 32 1.976 0.232 -4.799 1.00 0.00 C ATOM 0 H VAL A 32 -0.389 0.981 -5.896 1.00 0.00 H new ATOM 0 HA VAL A 32 0.280 -1.691 -5.611 1.00 0.00 H new ATOM 0 HB VAL A 32 0.253 0.593 -3.598 1.00 0.00 H new ATOM 0 HG11 VAL A 32 1.830 -0.751 -2.272 1.00 0.00 H new ATOM 0 HG12 VAL A 32 0.240 -1.539 -2.406 1.00 0.00 H new ATOM 0 HG13 VAL A 32 1.604 -2.115 -3.392 1.00 0.00 H new ATOM 0 HG21 VAL A 32 2.663 0.696 -4.092 1.00 0.00 H new ATOM 0 HG22 VAL A 32 2.470 -0.608 -5.287 1.00 0.00 H new ATOM 0 HG23 VAL A 32 1.678 0.964 -5.550 1.00 0.00 H new ATOM 583 N LEU A 33 -2.241 -0.746 -3.675 1.00 0.00 N ATOM 584 CA LEU A 33 -3.366 -1.238 -2.889 1.00 0.00 C ATOM 585 C LEU A 33 -4.240 -2.176 -3.716 1.00 0.00 C ATOM 586 O LEU A 33 -4.611 -3.257 -3.261 1.00 0.00 O ATOM 587 CB LEU A 33 -4.203 -0.067 -2.371 1.00 0.00 C ATOM 588 CG LEU A 33 -3.620 0.702 -1.185 1.00 0.00 C ATOM 589 CD1 LEU A 33 -3.010 -0.257 -0.175 1.00 0.00 C ATOM 590 CD2 LEU A 33 -2.583 1.709 -1.660 1.00 0.00 C ATOM 0 H LEU A 33 -2.187 0.270 -3.744 1.00 0.00 H new ATOM 0 HA LEU A 33 -2.968 -1.795 -2.041 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -4.358 0.634 -3.192 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -5.184 -0.446 -2.086 1.00 0.00 H new ATOM 0 HG LEU A 33 -4.429 1.246 -0.697 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -2.600 0.308 0.662 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -3.778 -0.939 0.189 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -2.214 -0.829 -0.651 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -2.179 2.247 -0.803 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -1.776 1.186 -2.173 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -3.050 2.417 -2.345 1.00 0.00 H new ATOM 602 N ASP A 34 -4.562 -1.754 -4.934 1.00 0.00 N ATOM 603 CA ASP A 34 -5.389 -2.557 -5.827 1.00 0.00 C ATOM 604 C ASP A 34 -4.741 -3.912 -6.097 1.00 0.00 C ATOM 605 O ASP A 34 -5.364 -4.956 -5.912 1.00 0.00 O ATOM 606 CB ASP A 34 -5.622 -1.817 -7.145 1.00 0.00 C ATOM 607 CG ASP A 34 -6.844 -0.922 -7.099 1.00 0.00 C ATOM 608 OD1 ASP A 34 -7.842 -1.312 -6.456 1.00 0.00 O ATOM 609 OD2 ASP A 34 -6.804 0.168 -7.706 1.00 0.00 O ATOM 0 H ASP A 34 -4.263 -0.861 -5.325 1.00 0.00 H new ATOM 0 HA ASP A 34 -6.349 -2.725 -5.339 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -4.744 -1.216 -7.381 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -5.737 -2.543 -7.950 1.00 0.00 H new ATOM 614 N GLN A 35 -3.487 -3.884 -6.537 1.00 0.00 N ATOM 615 CA GLN A 35 -2.755 -5.110 -6.834 1.00 0.00 C ATOM 616 C GLN A 35 -2.631 -5.985 -5.591 1.00 0.00 C ATOM 617 O GLN A 35 -2.752 -7.207 -5.666 1.00 0.00 O ATOM 618 CB GLN A 35 -1.365 -4.780 -7.381 1.00 0.00 C ATOM 619 CG GLN A 35 -1.394 -4.001 -8.686 1.00 0.00 C ATOM 620 CD GLN A 35 -1.782 -4.863 -9.871 1.00 0.00 C ATOM 621 OE1 GLN A 35 -1.019 -5.728 -10.301 1.00 0.00 O ATOM 622 NE2 GLN A 35 -2.975 -4.632 -10.406 1.00 0.00 N ATOM 0 H GLN A 35 -2.957 -3.027 -6.696 1.00 0.00 H new ATOM 0 HA GLN A 35 -3.313 -5.662 -7.590 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -0.818 -4.203 -6.635 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -0.814 -5.708 -7.534 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -2.099 -3.175 -8.596 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -0.412 -3.564 -8.866 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -3.576 -3.905 -10.018 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -3.291 -5.182 -11.205 1.00 0.00 H new ATOM 631 N MET A 36 -2.388 -5.350 -4.449 1.00 0.00 N ATOM 632 CA MET A 36 -2.248 -6.072 -3.189 1.00 0.00 C ATOM 633 C MET A 36 -3.498 -6.895 -2.893 1.00 0.00 C ATOM 634 O MET A 36 -3.412 -8.087 -2.602 1.00 0.00 O ATOM 635 CB MET A 36 -1.985 -5.093 -2.043 1.00 0.00 C ATOM 636 CG MET A 36 -0.511 -4.783 -1.836 1.00 0.00 C ATOM 637 SD MET A 36 -0.179 -4.029 -0.232 1.00 0.00 S ATOM 638 CE MET A 36 -0.512 -5.405 0.864 1.00 0.00 C ATOM 0 H MET A 36 -2.284 -4.338 -4.370 1.00 0.00 H new ATOM 0 HA MET A 36 -1.400 -6.751 -3.280 1.00 0.00 H new ATOM 0 HB2 MET A 36 -2.519 -4.164 -2.240 1.00 0.00 H new ATOM 0 HB3 MET A 36 -2.394 -5.507 -1.121 1.00 0.00 H new ATOM 0 HG2 MET A 36 0.066 -5.703 -1.927 1.00 0.00 H new ATOM 0 HG3 MET A 36 -0.170 -4.113 -2.626 1.00 0.00 H new ATOM 0 HE1 MET A 36 0.030 -5.265 1.799 1.00 0.00 H new ATOM 0 HE2 MET A 36 -1.581 -5.457 1.068 1.00 0.00 H new ATOM 0 HE3 MET A 36 -0.187 -6.333 0.392 1.00 0.00 H new ATOM 648 N ASN A 37 -4.658 -6.251 -2.969 1.00 0.00 N ATOM 649 CA ASN A 37 -5.925 -6.924 -2.708 1.00 0.00 C ATOM 650 C ASN A 37 -6.071 -8.166 -3.582 1.00 0.00 C ATOM 651 O ASN A 37 -6.386 -9.251 -3.092 1.00 0.00 O ATOM 652 CB ASN A 37 -7.094 -5.970 -2.958 1.00 0.00 C ATOM 653 CG ASN A 37 -7.505 -5.218 -1.706 1.00 0.00 C ATOM 654 OD1 ASN A 37 -7.420 -5.745 -0.597 1.00 0.00 O ATOM 655 ND2 ASN A 37 -7.953 -3.980 -1.880 1.00 0.00 N ATOM 0 H ASN A 37 -4.747 -5.264 -3.209 1.00 0.00 H new ATOM 0 HA ASN A 37 -5.935 -7.234 -1.663 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -6.817 -5.256 -3.733 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -7.946 -6.535 -3.335 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -8.244 -3.425 -1.075 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -8.006 -3.584 -2.819 1.00 0.00 H new ATOM 662 N LYS A 38 -5.839 -8.000 -4.880 1.00 0.00 N ATOM 663 CA LYS A 38 -5.943 -9.106 -5.824 1.00 0.00 C ATOM 664 C LYS A 38 -5.115 -10.299 -5.357 1.00 0.00 C ATOM 665 O LYS A 38 -5.481 -11.451 -5.591 1.00 0.00 O ATOM 666 CB LYS A 38 -5.479 -8.663 -7.213 1.00 0.00 C ATOM 667 CG LYS A 38 -6.244 -7.468 -7.757 1.00 0.00 C ATOM 668 CD LYS A 38 -5.627 -6.952 -9.046 1.00 0.00 C ATOM 669 CE LYS A 38 -5.642 -8.013 -10.135 1.00 0.00 C ATOM 670 NZ LYS A 38 -5.488 -7.418 -11.492 1.00 0.00 N ATOM 0 H LYS A 38 -5.577 -7.109 -5.302 1.00 0.00 H new ATOM 0 HA LYS A 38 -6.989 -9.409 -5.876 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -4.418 -8.416 -7.171 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -5.585 -9.498 -7.906 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -7.282 -7.750 -7.936 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -6.254 -6.672 -7.013 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -6.174 -6.073 -9.386 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -4.601 -6.636 -8.858 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -4.837 -8.726 -9.958 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -6.578 -8.570 -10.087 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -5.503 -8.174 -12.206 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -6.270 -6.756 -11.672 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -4.583 -6.908 -11.547 1.00 0.00 H new ATOM 684 N TYR A 39 -3.999 -10.016 -4.694 1.00 0.00 N ATOM 685 CA TYR A 39 -3.119 -11.066 -4.195 1.00 0.00 C ATOM 686 C TYR A 39 -3.744 -11.778 -3.000 1.00 0.00 C ATOM 687 O TYR A 39 -3.884 -13.002 -2.995 1.00 0.00 O ATOM 688 CB TYR A 39 -1.763 -10.479 -3.801 1.00 0.00 C ATOM 689 CG TYR A 39 -0.780 -11.511 -3.294 1.00 0.00 C ATOM 690 CD1 TYR A 39 -0.925 -12.076 -2.033 1.00 0.00 C ATOM 691 CD2 TYR A 39 0.292 -11.921 -4.077 1.00 0.00 C ATOM 692 CE1 TYR A 39 -0.029 -13.018 -1.566 1.00 0.00 C ATOM 693 CE2 TYR A 39 1.191 -12.864 -3.619 1.00 0.00 C ATOM 694 CZ TYR A 39 1.027 -13.409 -2.362 1.00 0.00 C ATOM 695 OH TYR A 39 1.920 -14.349 -1.901 1.00 0.00 O ATOM 0 H TYR A 39 -3.682 -9.068 -4.490 1.00 0.00 H new ATOM 0 HA TYR A 39 -2.974 -11.794 -4.993 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -1.332 -9.972 -4.664 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -1.914 -9.724 -3.030 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -1.752 -11.774 -1.408 1.00 0.00 H new ATOM 0 HD2 TYR A 39 0.425 -11.495 -5.061 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -0.155 -13.446 -0.582 1.00 0.00 H new ATOM 0 HE2 TYR A 39 2.018 -13.173 -4.241 1.00 0.00 H new ATOM 0 HH TYR A 39 2.603 -14.514 -2.584 1.00 0.00 H new ATOM 705 N LEU A 40 -4.119 -11.004 -1.988 1.00 0.00 N ATOM 706 CA LEU A 40 -4.731 -11.559 -0.785 1.00 0.00 C ATOM 707 C LEU A 40 -5.953 -12.401 -1.135 1.00 0.00 C ATOM 708 O LEU A 40 -6.254 -13.387 -0.462 1.00 0.00 O ATOM 709 CB LEU A 40 -5.129 -10.435 0.173 1.00 0.00 C ATOM 710 CG LEU A 40 -4.256 -9.180 0.136 1.00 0.00 C ATOM 711 CD1 LEU A 40 -4.557 -8.286 1.329 1.00 0.00 C ATOM 712 CD2 LEU A 40 -2.782 -9.557 0.109 1.00 0.00 C ATOM 0 H LEU A 40 -4.010 -9.990 -1.976 1.00 0.00 H new ATOM 0 HA LEU A 40 -3.998 -12.201 -0.297 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -6.157 -10.145 -0.046 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -5.119 -10.830 1.189 1.00 0.00 H new ATOM 0 HG LEU A 40 -4.486 -8.627 -0.774 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -3.927 -7.398 1.286 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -5.605 -7.988 1.305 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -4.355 -8.830 2.252 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -2.175 -8.652 0.083 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -2.537 -10.132 1.002 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -2.576 -10.157 -0.777 1.00 0.00 H new ATOM 724 N TYR A 41 -6.653 -12.008 -2.194 1.00 0.00 N ATOM 725 CA TYR A 41 -7.842 -12.727 -2.634 1.00 0.00 C ATOM 726 C TYR A 41 -7.472 -14.083 -3.228 1.00 0.00 C ATOM 727 O TYR A 41 -8.243 -15.039 -3.150 1.00 0.00 O ATOM 728 CB TYR A 41 -8.612 -11.899 -3.665 1.00 0.00 C ATOM 729 CG TYR A 41 -10.108 -12.114 -3.619 1.00 0.00 C ATOM 730 CD1 TYR A 41 -10.686 -13.240 -4.190 1.00 0.00 C ATOM 731 CD2 TYR A 41 -10.943 -11.190 -3.003 1.00 0.00 C ATOM 732 CE1 TYR A 41 -12.053 -13.440 -4.151 1.00 0.00 C ATOM 733 CE2 TYR A 41 -12.310 -11.381 -2.958 1.00 0.00 C ATOM 734 CZ TYR A 41 -12.860 -12.508 -3.533 1.00 0.00 C ATOM 735 OH TYR A 41 -14.222 -12.703 -3.491 1.00 0.00 O ATOM 0 H TYR A 41 -6.417 -11.195 -2.763 1.00 0.00 H new ATOM 0 HA TYR A 41 -8.477 -12.894 -1.764 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -8.400 -10.842 -3.502 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -8.248 -12.147 -4.662 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -10.056 -13.972 -4.673 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -10.516 -10.307 -2.551 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -12.486 -14.321 -4.602 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -12.945 -10.652 -2.476 1.00 0.00 H new ATOM 0 HH TYR A 41 -14.645 -11.955 -3.019 1.00 0.00 H new ATOM 745 N SER A 42 -6.284 -14.157 -3.821 1.00 0.00 N ATOM 746 CA SER A 42 -5.811 -15.393 -4.431 1.00 0.00 C ATOM 747 C SER A 42 -5.089 -16.263 -3.406 1.00 0.00 C ATOM 748 O SER A 42 -4.559 -17.324 -3.738 1.00 0.00 O ATOM 749 CB SER A 42 -4.876 -15.084 -5.602 1.00 0.00 C ATOM 750 OG SER A 42 -5.611 -14.755 -6.768 1.00 0.00 O ATOM 0 H SER A 42 -5.632 -13.375 -3.891 1.00 0.00 H new ATOM 0 HA SER A 42 -6.678 -15.941 -4.802 1.00 0.00 H new ATOM 0 HB2 SER A 42 -4.218 -14.256 -5.337 1.00 0.00 H new ATOM 0 HB3 SER A 42 -4.240 -15.946 -5.801 1.00 0.00 H new ATOM 0 HG SER A 42 -4.991 -14.560 -7.501 1.00 0.00 H new ATOM 756 N VAL A 43 -5.074 -15.807 -2.158 1.00 0.00 N ATOM 757 CA VAL A 43 -4.419 -16.542 -1.083 1.00 0.00 C ATOM 758 C VAL A 43 -5.225 -17.776 -0.691 1.00 0.00 C ATOM 759 O VAL A 43 -6.447 -17.805 -0.838 1.00 0.00 O ATOM 760 CB VAL A 43 -4.217 -15.657 0.161 1.00 0.00 C ATOM 761 CG1 VAL A 43 -3.676 -16.480 1.320 1.00 0.00 C ATOM 762 CG2 VAL A 43 -3.288 -14.495 -0.157 1.00 0.00 C ATOM 0 H VAL A 43 -5.508 -14.931 -1.866 1.00 0.00 H new ATOM 0 HA VAL A 43 -3.444 -16.853 -1.460 1.00 0.00 H new ATOM 0 HB VAL A 43 -5.184 -15.249 0.456 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -3.540 -15.838 2.190 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -4.382 -17.275 1.563 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -2.718 -16.918 1.039 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -3.157 -13.880 0.733 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -2.320 -14.880 -0.478 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -3.721 -13.891 -0.954 1.00 0.00 H new ATOM 772 N LYS A 44 -4.533 -18.793 -0.190 1.00 0.00 N ATOM 773 CA LYS A 44 -5.183 -20.030 0.227 1.00 0.00 C ATOM 774 C LYS A 44 -5.262 -20.118 1.748 1.00 0.00 C ATOM 775 O LYS A 44 -6.248 -20.606 2.300 1.00 0.00 O ATOM 776 CB LYS A 44 -4.425 -21.240 -0.326 1.00 0.00 C ATOM 777 CG LYS A 44 -4.460 -21.339 -1.841 1.00 0.00 C ATOM 778 CD LYS A 44 -5.841 -21.722 -2.343 1.00 0.00 C ATOM 779 CE LYS A 44 -6.145 -23.188 -2.073 1.00 0.00 C ATOM 780 NZ LYS A 44 -7.159 -23.728 -3.021 1.00 0.00 N ATOM 0 H LYS A 44 -3.521 -18.785 -0.063 1.00 0.00 H new ATOM 0 HA LYS A 44 -6.197 -20.030 -0.172 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -3.387 -21.189 0.003 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -4.850 -22.149 0.099 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -4.166 -20.384 -2.276 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -3.732 -22.079 -2.175 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -6.592 -21.098 -1.858 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -5.908 -21.527 -3.413 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -5.227 -23.770 -2.153 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -6.506 -23.302 -1.051 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -7.339 -24.729 -2.804 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -8.044 -23.189 -2.927 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -6.804 -23.643 -3.995 1.00 0.00 H new ATOM 794 N ASP A 45 -4.220 -19.641 2.418 1.00 0.00 N ATOM 795 CA ASP A 45 -4.173 -19.663 3.876 1.00 0.00 C ATOM 796 C ASP A 45 -4.757 -18.380 4.458 1.00 0.00 C ATOM 797 O ASP A 45 -4.159 -17.308 4.353 1.00 0.00 O ATOM 798 CB ASP A 45 -2.733 -19.848 4.358 1.00 0.00 C ATOM 799 CG ASP A 45 -2.252 -21.277 4.209 1.00 0.00 C ATOM 800 OD1 ASP A 45 -2.469 -21.868 3.130 1.00 0.00 O ATOM 801 OD2 ASP A 45 -1.656 -21.806 5.171 1.00 0.00 O ATOM 0 H ASP A 45 -3.396 -19.234 1.976 1.00 0.00 H new ATOM 0 HA ASP A 45 -4.774 -20.504 4.222 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -2.076 -19.186 3.794 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -2.662 -19.551 5.404 1.00 0.00 H new ATOM 806 N THR A 46 -5.931 -18.495 5.072 1.00 0.00 N ATOM 807 CA THR A 46 -6.597 -17.345 5.669 1.00 0.00 C ATOM 808 C THR A 46 -5.645 -16.562 6.566 1.00 0.00 C ATOM 809 O THR A 46 -5.737 -15.338 6.669 1.00 0.00 O ATOM 810 CB THR A 46 -7.826 -17.772 6.493 1.00 0.00 C ATOM 811 OG1 THR A 46 -8.656 -18.645 5.718 1.00 0.00 O ATOM 812 CG2 THR A 46 -8.630 -16.559 6.935 1.00 0.00 C ATOM 0 H THR A 46 -6.440 -19.374 5.168 1.00 0.00 H new ATOM 0 HA THR A 46 -6.924 -16.708 4.847 1.00 0.00 H new ATOM 0 HB THR A 46 -7.475 -18.298 7.381 1.00 0.00 H new ATOM 0 HG1 THR A 46 -9.434 -18.913 6.249 1.00 0.00 H new ATOM 0 HG21 THR A 46 -9.493 -16.886 7.515 1.00 0.00 H new ATOM 0 HG22 THR A 46 -8.004 -15.912 7.549 1.00 0.00 H new ATOM 0 HG23 THR A 46 -8.970 -16.009 6.058 1.00 0.00 H new ATOM 820 N HIS A 47 -4.729 -17.275 7.214 1.00 0.00 N ATOM 821 CA HIS A 47 -3.758 -16.646 8.102 1.00 0.00 C ATOM 822 C HIS A 47 -2.762 -15.804 7.310 1.00 0.00 C ATOM 823 O HIS A 47 -2.237 -14.810 7.812 1.00 0.00 O ATOM 824 CB HIS A 47 -3.015 -17.708 8.913 1.00 0.00 C ATOM 825 CG HIS A 47 -1.765 -17.199 9.564 1.00 0.00 C ATOM 826 ND1 HIS A 47 -0.501 -17.582 9.169 1.00 0.00 N ATOM 827 CD2 HIS A 47 -1.591 -16.329 10.587 1.00 0.00 C ATOM 828 CE1 HIS A 47 0.397 -16.973 9.923 1.00 0.00 C ATOM 829 NE2 HIS A 47 -0.239 -16.206 10.790 1.00 0.00 N ATOM 0 H HIS A 47 -4.639 -18.288 7.141 1.00 0.00 H new ATOM 0 HA HIS A 47 -4.298 -15.990 8.785 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -3.682 -18.099 9.682 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -2.760 -18.541 8.258 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -2.370 -15.826 11.140 1.00 0.00 H new ATOM 0 HE1 HIS A 47 1.468 -17.084 9.844 1.00 0.00 H new ATOM 0 HE2 HIS A 47 0.203 -15.617 11.496 1.00 0.00 H new ATOM 838 N LEU A 48 -2.507 -16.209 6.071 1.00 0.00 N ATOM 839 CA LEU A 48 -1.574 -15.492 5.209 1.00 0.00 C ATOM 840 C LEU A 48 -2.171 -14.169 4.740 1.00 0.00 C ATOM 841 O LEU A 48 -1.536 -13.120 4.841 1.00 0.00 O ATOM 842 CB LEU A 48 -1.201 -16.353 4.000 1.00 0.00 C ATOM 843 CG LEU A 48 0.022 -15.898 3.204 1.00 0.00 C ATOM 844 CD1 LEU A 48 0.674 -17.081 2.505 1.00 0.00 C ATOM 845 CD2 LEU A 48 -0.367 -14.828 2.194 1.00 0.00 C ATOM 0 H LEU A 48 -2.933 -17.030 5.641 1.00 0.00 H new ATOM 0 HA LEU A 48 -0.675 -15.279 5.787 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -1.026 -17.372 4.345 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -2.057 -16.387 3.326 1.00 0.00 H new ATOM 0 HG LEU A 48 0.745 -15.469 3.898 1.00 0.00 H new ATOM 0 HD11 LEU A 48 1.543 -16.738 1.943 1.00 0.00 H new ATOM 0 HD12 LEU A 48 0.988 -17.814 3.248 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -0.041 -17.540 1.822 1.00 0.00 H new ATOM 0 HD21 LEU A 48 0.516 -14.516 1.636 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -1.108 -15.231 1.504 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -0.788 -13.969 2.717 1.00 0.00 H new ATOM 857 N ARG A 49 -3.397 -14.227 4.230 1.00 0.00 N ATOM 858 CA ARG A 49 -4.081 -13.033 3.747 1.00 0.00 C ATOM 859 C ARG A 49 -4.418 -12.095 4.902 1.00 0.00 C ATOM 860 O ARG A 49 -4.161 -10.894 4.833 1.00 0.00 O ATOM 861 CB ARG A 49 -5.358 -13.419 3.000 1.00 0.00 C ATOM 862 CG ARG A 49 -6.019 -14.679 3.533 1.00 0.00 C ATOM 863 CD ARG A 49 -7.436 -14.833 3.001 1.00 0.00 C ATOM 864 NE ARG A 49 -8.380 -13.965 3.700 1.00 0.00 N ATOM 865 CZ ARG A 49 -9.616 -13.731 3.274 1.00 0.00 C ATOM 866 NH1 ARG A 49 -10.055 -14.297 2.158 1.00 0.00 N ATOM 867 NH2 ARG A 49 -10.416 -12.928 3.965 1.00 0.00 N ATOM 0 H ARG A 49 -3.937 -15.088 4.141 1.00 0.00 H new ATOM 0 HA ARG A 49 -3.411 -12.512 3.063 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -6.067 -12.594 3.060 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -5.123 -13.561 1.945 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -5.427 -15.549 3.251 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -6.040 -14.647 4.622 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -7.451 -14.601 1.936 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -7.752 -15.871 3.106 1.00 0.00 H new ATOM 0 HE ARG A 49 -8.073 -13.514 4.562 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -9.443 -14.914 1.624 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -11.005 -14.115 1.833 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -10.082 -12.490 4.823 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -11.365 -12.749 3.637 1.00 0.00 H new ATOM 881 N GLN A 50 -4.995 -12.653 5.962 1.00 0.00 N ATOM 882 CA GLN A 50 -5.368 -11.866 7.131 1.00 0.00 C ATOM 883 C GLN A 50 -4.184 -11.050 7.638 1.00 0.00 C ATOM 884 O GLN A 50 -4.356 -9.960 8.186 1.00 0.00 O ATOM 885 CB GLN A 50 -5.888 -12.779 8.243 1.00 0.00 C ATOM 886 CG GLN A 50 -4.786 -13.379 9.101 1.00 0.00 C ATOM 887 CD GLN A 50 -5.327 -14.188 10.264 1.00 0.00 C ATOM 888 OE1 GLN A 50 -6.497 -14.570 10.277 1.00 0.00 O ATOM 889 NE2 GLN A 50 -4.476 -14.452 11.248 1.00 0.00 N ATOM 0 H GLN A 50 -5.214 -13.647 6.035 1.00 0.00 H new ATOM 0 HA GLN A 50 -6.160 -11.178 6.836 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -6.566 -12.211 8.881 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -6.470 -13.586 7.797 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -4.155 -14.017 8.482 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -4.152 -12.579 9.483 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -3.515 -14.115 11.195 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -4.783 -14.992 12.057 1.00 0.00 H new ATOM 898 N LYS A 51 -2.981 -11.584 7.454 1.00 0.00 N ATOM 899 CA LYS A 51 -1.767 -10.906 7.891 1.00 0.00 C ATOM 900 C LYS A 51 -1.473 -9.695 7.012 1.00 0.00 C ATOM 901 O LYS A 51 -1.119 -8.626 7.510 1.00 0.00 O ATOM 902 CB LYS A 51 -0.580 -11.871 7.862 1.00 0.00 C ATOM 903 CG LYS A 51 0.758 -11.199 8.116 1.00 0.00 C ATOM 904 CD LYS A 51 1.117 -11.213 9.593 1.00 0.00 C ATOM 905 CE LYS A 51 0.549 -10.002 10.317 1.00 0.00 C ATOM 906 NZ LYS A 51 -0.799 -10.278 10.886 1.00 0.00 N ATOM 0 H LYS A 51 -2.821 -12.486 7.005 1.00 0.00 H new ATOM 0 HA LYS A 51 -1.922 -10.561 8.913 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -0.735 -12.647 8.612 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -0.549 -12.367 6.892 1.00 0.00 H new ATOM 0 HG2 LYS A 51 1.536 -11.708 7.547 1.00 0.00 H new ATOM 0 HG3 LYS A 51 0.723 -10.170 7.759 1.00 0.00 H new ATOM 0 HD2 LYS A 51 0.735 -12.125 10.052 1.00 0.00 H new ATOM 0 HD3 LYS A 51 2.201 -11.229 9.705 1.00 0.00 H new ATOM 0 HE2 LYS A 51 1.227 -9.706 11.117 1.00 0.00 H new ATOM 0 HE3 LYS A 51 0.486 -9.162 9.625 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -1.468 -9.549 10.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -1.126 -11.212 10.567 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -0.747 -10.265 11.925 1.00 0.00 H new ATOM 920 N TRP A 52 -1.623 -9.869 5.704 1.00 0.00 N ATOM 921 CA TRP A 52 -1.374 -8.789 4.756 1.00 0.00 C ATOM 922 C TRP A 52 -2.466 -7.728 4.841 1.00 0.00 C ATOM 923 O TRP A 52 -2.203 -6.539 4.661 1.00 0.00 O ATOM 924 CB TRP A 52 -1.292 -9.341 3.332 1.00 0.00 C ATOM 925 CG TRP A 52 -0.062 -10.161 3.083 1.00 0.00 C ATOM 926 CD1 TRP A 52 -0.010 -11.494 2.794 1.00 0.00 C ATOM 927 CD2 TRP A 52 1.293 -9.699 3.102 1.00 0.00 C ATOM 928 NE1 TRP A 52 1.295 -11.890 2.633 1.00 0.00 N ATOM 929 CE2 TRP A 52 2.114 -10.807 2.816 1.00 0.00 C ATOM 930 CE3 TRP A 52 1.893 -8.458 3.331 1.00 0.00 C ATOM 931 CZ2 TRP A 52 3.502 -10.709 2.755 1.00 0.00 C ATOM 932 CZ3 TRP A 52 3.270 -8.362 3.270 1.00 0.00 C ATOM 933 CH2 TRP A 52 4.062 -9.482 2.983 1.00 0.00 C ATOM 0 H TRP A 52 -1.916 -10.747 5.276 1.00 0.00 H new ATOM 0 HA TRP A 52 -0.422 -8.325 5.014 1.00 0.00 H new ATOM 0 HB2 TRP A 52 -2.173 -9.952 3.135 1.00 0.00 H new ATOM 0 HB3 TRP A 52 -1.316 -8.511 2.626 1.00 0.00 H new ATOM 0 HD1 TRP A 52 -0.869 -12.142 2.705 1.00 0.00 H new ATOM 0 HE1 TRP A 52 1.604 -12.837 2.413 1.00 0.00 H new ATOM 0 HE3 TRP A 52 1.291 -7.589 3.552 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 4.114 -11.571 2.535 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 3.744 -7.408 3.446 1.00 0.00 H new ATOM 0 HH2 TRP A 52 5.136 -9.374 2.941 1.00 0.00 H new ATOM 944 N GLN A 53 -3.691 -8.166 5.115 1.00 0.00 N ATOM 945 CA GLN A 53 -4.822 -7.252 5.223 1.00 0.00 C ATOM 946 C GLN A 53 -4.547 -6.164 6.255 1.00 0.00 C ATOM 947 O GLN A 53 -5.000 -5.029 6.110 1.00 0.00 O ATOM 948 CB GLN A 53 -6.091 -8.020 5.599 1.00 0.00 C ATOM 949 CG GLN A 53 -7.318 -7.134 5.742 1.00 0.00 C ATOM 950 CD GLN A 53 -8.040 -6.921 4.427 1.00 0.00 C ATOM 951 OE1 GLN A 53 -7.414 -6.790 3.375 1.00 0.00 O ATOM 952 NE2 GLN A 53 -9.367 -6.884 4.479 1.00 0.00 N ATOM 0 H GLN A 53 -3.925 -9.147 5.266 1.00 0.00 H new ATOM 0 HA GLN A 53 -4.967 -6.777 4.253 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -6.286 -8.777 4.839 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -5.922 -8.547 6.538 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -8.004 -7.583 6.460 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -7.019 -6.168 6.148 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -9.846 -6.997 5.373 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -9.907 -6.743 3.625 1.00 0.00 H new ATOM 961 N GLN A 54 -3.802 -6.519 7.297 1.00 0.00 N ATOM 962 CA GLN A 54 -3.467 -5.572 8.355 1.00 0.00 C ATOM 963 C GLN A 54 -2.530 -4.486 7.836 1.00 0.00 C ATOM 964 O GLN A 54 -2.664 -3.315 8.191 1.00 0.00 O ATOM 965 CB GLN A 54 -2.821 -6.300 9.534 1.00 0.00 C ATOM 966 CG GLN A 54 -2.558 -5.403 10.733 1.00 0.00 C ATOM 967 CD GLN A 54 -1.399 -5.887 11.582 1.00 0.00 C ATOM 968 OE1 GLN A 54 -1.112 -7.083 11.637 1.00 0.00 O ATOM 969 NE2 GLN A 54 -0.725 -4.957 12.248 1.00 0.00 N ATOM 0 H GLN A 54 -3.419 -7.455 7.431 1.00 0.00 H new ATOM 0 HA GLN A 54 -4.390 -5.099 8.691 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -3.467 -7.122 9.841 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -1.879 -6.740 9.207 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -2.351 -4.391 10.386 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -3.457 -5.352 11.348 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -0.998 -3.977 12.173 1.00 0.00 H new ATOM 0 HE22 GLN A 54 0.066 -5.222 12.835 1.00 0.00 H new ATOM 978 N VAL A 55 -1.580 -4.883 6.996 1.00 0.00 N ATOM 979 CA VAL A 55 -0.621 -3.944 6.428 1.00 0.00 C ATOM 980 C VAL A 55 -1.271 -3.072 5.360 1.00 0.00 C ATOM 981 O VAL A 55 -0.975 -1.882 5.251 1.00 0.00 O ATOM 982 CB VAL A 55 0.586 -4.677 5.811 1.00 0.00 C ATOM 983 CG1 VAL A 55 1.525 -3.688 5.138 1.00 0.00 C ATOM 984 CG2 VAL A 55 1.319 -5.482 6.874 1.00 0.00 C ATOM 0 H VAL A 55 -1.454 -5.849 6.694 1.00 0.00 H new ATOM 0 HA VAL A 55 -0.274 -3.313 7.247 1.00 0.00 H new ATOM 0 HB VAL A 55 0.220 -5.368 5.051 1.00 0.00 H new ATOM 0 HG11 VAL A 55 2.371 -4.224 4.708 1.00 0.00 H new ATOM 0 HG12 VAL A 55 0.991 -3.159 4.348 1.00 0.00 H new ATOM 0 HG13 VAL A 55 1.886 -2.970 5.875 1.00 0.00 H new ATOM 0 HG21 VAL A 55 2.169 -5.993 6.422 1.00 0.00 H new ATOM 0 HG22 VAL A 55 1.674 -4.812 7.657 1.00 0.00 H new ATOM 0 HG23 VAL A 55 0.640 -6.218 7.306 1.00 0.00 H new ATOM 994 N TRP A 56 -2.158 -3.672 4.574 1.00 0.00 N ATOM 995 CA TRP A 56 -2.852 -2.949 3.514 1.00 0.00 C ATOM 996 C TRP A 56 -3.528 -1.697 4.061 1.00 0.00 C ATOM 997 O TRP A 56 -3.485 -0.636 3.439 1.00 0.00 O ATOM 998 CB TRP A 56 -3.889 -3.854 2.846 1.00 0.00 C ATOM 999 CG TRP A 56 -4.684 -3.161 1.781 1.00 0.00 C ATOM 1000 CD1 TRP A 56 -4.514 -3.269 0.431 1.00 0.00 C ATOM 1001 CD2 TRP A 56 -5.772 -2.251 1.980 1.00 0.00 C ATOM 1002 NE1 TRP A 56 -5.431 -2.481 -0.223 1.00 0.00 N ATOM 1003 CE2 TRP A 56 -6.215 -1.848 0.705 1.00 0.00 C ATOM 1004 CE3 TRP A 56 -6.416 -1.741 3.110 1.00 0.00 C ATOM 1005 CZ2 TRP A 56 -7.271 -0.957 0.532 1.00 0.00 C ATOM 1006 CZ3 TRP A 56 -7.464 -0.857 2.936 1.00 0.00 C ATOM 1007 CH2 TRP A 56 -7.884 -0.473 1.655 1.00 0.00 C ATOM 0 H TRP A 56 -2.414 -4.657 4.650 1.00 0.00 H new ATOM 0 HA TRP A 56 -2.114 -2.645 2.772 1.00 0.00 H new ATOM 0 HB2 TRP A 56 -3.382 -4.714 2.409 1.00 0.00 H new ATOM 0 HB3 TRP A 56 -4.570 -4.237 3.606 1.00 0.00 H new ATOM 0 HD1 TRP A 56 -3.769 -3.883 -0.052 1.00 0.00 H new ATOM 0 HE1 TRP A 56 -5.514 -2.383 -1.235 1.00 0.00 H new ATOM 0 HE3 TRP A 56 -6.101 -2.032 4.101 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 -7.595 -0.659 -0.454 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 -7.968 -0.455 3.802 1.00 0.00 H new ATOM 0 HH2 TRP A 56 -8.707 0.218 1.553 1.00 0.00 H new ATOM 1018 N GLN A 57 -4.152 -1.828 5.227 1.00 0.00 N ATOM 1019 CA GLN A 57 -4.838 -0.706 5.857 1.00 0.00 C ATOM 1020 C GLN A 57 -3.874 0.448 6.112 1.00 0.00 C ATOM 1021 O GLN A 57 -4.216 1.612 5.908 1.00 0.00 O ATOM 1022 CB GLN A 57 -5.483 -1.148 7.171 1.00 0.00 C ATOM 1023 CG GLN A 57 -6.884 -1.713 7.002 1.00 0.00 C ATOM 1024 CD GLN A 57 -7.655 -1.763 8.307 1.00 0.00 C ATOM 1025 OE1 GLN A 57 -8.442 -0.866 8.611 1.00 0.00 O ATOM 1026 NE2 GLN A 57 -7.432 -2.815 9.086 1.00 0.00 N ATOM 0 H GLN A 57 -4.197 -2.700 5.755 1.00 0.00 H new ATOM 0 HA GLN A 57 -5.617 -0.361 5.177 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -4.851 -1.901 7.641 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -5.523 -0.297 7.851 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -7.433 -1.104 6.283 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -6.818 -2.718 6.584 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -6.771 -3.535 8.794 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -7.922 -2.903 9.976 1.00 0.00 H new ATOM 1035 N GLU A 58 -2.667 0.116 6.560 1.00 0.00 N ATOM 1036 CA GLU A 58 -1.654 1.125 6.844 1.00 0.00 C ATOM 1037 C GLU A 58 -1.139 1.757 5.554 1.00 0.00 C ATOM 1038 O GLU A 58 -0.775 2.933 5.529 1.00 0.00 O ATOM 1039 CB GLU A 58 -0.490 0.507 7.621 1.00 0.00 C ATOM 1040 CG GLU A 58 -0.857 0.089 9.035 1.00 0.00 C ATOM 1041 CD GLU A 58 0.338 -0.410 9.825 1.00 0.00 C ATOM 1042 OE1 GLU A 58 1.447 0.128 9.626 1.00 0.00 O ATOM 1043 OE2 GLU A 58 0.163 -1.338 10.642 1.00 0.00 O ATOM 0 H GLU A 58 -2.367 -0.843 6.734 1.00 0.00 H new ATOM 0 HA GLU A 58 -2.115 1.904 7.452 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -0.123 -0.363 7.077 1.00 0.00 H new ATOM 0 HB3 GLU A 58 0.329 1.225 7.664 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -1.304 0.936 9.556 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -1.613 -0.695 8.993 1.00 0.00 H new ATOM 1050 N ILE A 59 -1.111 0.968 4.485 1.00 0.00 N ATOM 1051 CA ILE A 59 -0.642 1.450 3.192 1.00 0.00 C ATOM 1052 C ILE A 59 -1.659 2.389 2.553 1.00 0.00 C ATOM 1053 O ILE A 59 -1.293 3.361 1.893 1.00 0.00 O ATOM 1054 CB ILE A 59 -0.358 0.285 2.226 1.00 0.00 C ATOM 1055 CG1 ILE A 59 0.763 -0.601 2.775 1.00 0.00 C ATOM 1056 CG2 ILE A 59 0.006 0.816 0.848 1.00 0.00 C ATOM 1057 CD1 ILE A 59 0.960 -1.880 1.993 1.00 0.00 C ATOM 0 H ILE A 59 -1.408 -0.008 4.489 1.00 0.00 H new ATOM 0 HA ILE A 59 0.285 1.993 3.376 1.00 0.00 H new ATOM 0 HB ILE A 59 -1.261 -0.319 2.134 1.00 0.00 H new ATOM 0 HG12 ILE A 59 1.695 -0.036 2.773 1.00 0.00 H new ATOM 0 HG13 ILE A 59 0.543 -0.850 3.813 1.00 0.00 H new ATOM 0 HG21 ILE A 59 0.204 -0.020 0.177 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -0.821 1.408 0.456 1.00 0.00 H new ATOM 0 HG23 ILE A 59 0.896 1.440 0.922 1.00 0.00 H new ATOM 0 HD11 ILE A 59 1.770 -2.458 2.438 1.00 0.00 H new ATOM 0 HD12 ILE A 59 0.041 -2.466 2.016 1.00 0.00 H new ATOM 0 HD13 ILE A 59 1.211 -1.640 0.960 1.00 0.00 H new ATOM 1069 N ASN A 60 -2.939 2.093 2.756 1.00 0.00 N ATOM 1070 CA ASN A 60 -4.010 2.912 2.201 1.00 0.00 C ATOM 1071 C ASN A 60 -4.076 4.268 2.899 1.00 0.00 C ATOM 1072 O ASN A 60 -4.188 5.307 2.249 1.00 0.00 O ATOM 1073 CB ASN A 60 -5.353 2.191 2.335 1.00 0.00 C ATOM 1074 CG ASN A 60 -6.520 3.155 2.428 1.00 0.00 C ATOM 1075 OD1 ASN A 60 -7.052 3.604 1.412 1.00 0.00 O ATOM 1076 ND2 ASN A 60 -6.923 3.479 3.651 1.00 0.00 N ATOM 0 H ASN A 60 -3.259 1.292 3.301 1.00 0.00 H new ATOM 0 HA ASN A 60 -3.797 3.077 1.145 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -5.496 1.533 1.478 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -5.336 1.559 3.223 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -7.703 4.124 3.777 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -6.453 3.083 4.465 1.00 0.00 H new ATOM 1083 N VAL A 61 -4.005 4.248 4.226 1.00 0.00 N ATOM 1084 CA VAL A 61 -4.055 5.475 5.012 1.00 0.00 C ATOM 1085 C VAL A 61 -2.843 6.357 4.732 1.00 0.00 C ATOM 1086 O VAL A 61 -2.935 7.583 4.769 1.00 0.00 O ATOM 1087 CB VAL A 61 -4.117 5.172 6.521 1.00 0.00 C ATOM 1088 CG1 VAL A 61 -2.769 4.677 7.023 1.00 0.00 C ATOM 1089 CG2 VAL A 61 -4.563 6.404 7.294 1.00 0.00 C ATOM 0 H VAL A 61 -3.913 3.396 4.779 1.00 0.00 H new ATOM 0 HA VAL A 61 -4.961 6.003 4.717 1.00 0.00 H new ATOM 0 HB VAL A 61 -4.851 4.383 6.685 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -2.833 4.468 8.091 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -2.495 3.766 6.491 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -2.012 5.442 6.847 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -4.601 6.172 8.358 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -3.855 7.216 7.125 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -5.553 6.709 6.953 1.00 0.00 H new ATOM 1099 N GLU A 62 -1.709 5.723 4.452 1.00 0.00 N ATOM 1100 CA GLU A 62 -0.478 6.451 4.165 1.00 0.00 C ATOM 1101 C GLU A 62 -0.673 7.408 2.992 1.00 0.00 C ATOM 1102 O GLU A 62 -0.320 8.584 3.072 1.00 0.00 O ATOM 1103 CB GLU A 62 0.659 5.475 3.858 1.00 0.00 C ATOM 1104 CG GLU A 62 1.945 6.156 3.420 1.00 0.00 C ATOM 1105 CD GLU A 62 3.151 5.242 3.514 1.00 0.00 C ATOM 1106 OE1 GLU A 62 3.009 4.039 3.210 1.00 0.00 O ATOM 1107 OE2 GLU A 62 4.236 5.730 3.892 1.00 0.00 O ATOM 0 H GLU A 62 -1.617 4.708 4.418 1.00 0.00 H new ATOM 0 HA GLU A 62 -0.217 7.034 5.048 1.00 0.00 H new ATOM 0 HB2 GLU A 62 0.860 4.874 4.745 1.00 0.00 H new ATOM 0 HB3 GLU A 62 0.336 4.789 3.075 1.00 0.00 H new ATOM 0 HG2 GLU A 62 1.836 6.503 2.392 1.00 0.00 H new ATOM 0 HG3 GLU A 62 2.113 7.038 4.038 1.00 0.00 H new ATOM 1114 N ALA A 63 -1.236 6.894 1.904 1.00 0.00 N ATOM 1115 CA ALA A 63 -1.479 7.701 0.715 1.00 0.00 C ATOM 1116 C ALA A 63 -2.306 8.938 1.051 1.00 0.00 C ATOM 1117 O ALA A 63 -2.162 9.985 0.419 1.00 0.00 O ATOM 1118 CB ALA A 63 -2.177 6.872 -0.353 1.00 0.00 C ATOM 0 H ALA A 63 -1.533 5.922 1.821 1.00 0.00 H new ATOM 0 HA ALA A 63 -0.515 8.033 0.329 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -2.352 7.488 -1.235 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -1.549 6.023 -0.622 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -3.131 6.511 0.032 1.00 0.00 H new ATOM 1124 N LYS A 64 -3.174 8.810 2.049 1.00 0.00 N ATOM 1125 CA LYS A 64 -4.024 9.917 2.471 1.00 0.00 C ATOM 1126 C LYS A 64 -3.187 11.069 3.018 1.00 0.00 C ATOM 1127 O LYS A 64 -3.450 12.234 2.722 1.00 0.00 O ATOM 1128 CB LYS A 64 -5.020 9.447 3.533 1.00 0.00 C ATOM 1129 CG LYS A 64 -6.303 10.259 3.566 1.00 0.00 C ATOM 1130 CD LYS A 64 -7.479 9.424 4.044 1.00 0.00 C ATOM 1131 CE LYS A 64 -7.352 9.075 5.519 1.00 0.00 C ATOM 1132 NZ LYS A 64 -8.457 8.188 5.976 1.00 0.00 N ATOM 0 H LYS A 64 -3.307 7.950 2.581 1.00 0.00 H new ATOM 0 HA LYS A 64 -4.573 10.272 1.599 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -5.267 8.401 3.350 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -4.544 9.496 4.512 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -6.174 11.118 4.224 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -6.513 10.649 2.570 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -8.407 9.971 3.877 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -7.539 8.508 3.456 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -6.395 8.583 5.695 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -7.353 9.991 6.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -8.335 7.973 6.986 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -9.369 8.667 5.832 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -8.441 7.303 5.429 1.00 0.00 H new ATOM 1146 N GLN A 65 -2.178 10.734 3.815 1.00 0.00 N ATOM 1147 CA GLN A 65 -1.302 11.742 4.402 1.00 0.00 C ATOM 1148 C GLN A 65 -0.662 12.605 3.320 1.00 0.00 C ATOM 1149 O GLN A 65 -0.594 13.827 3.446 1.00 0.00 O ATOM 1150 CB GLN A 65 -0.215 11.074 5.247 1.00 0.00 C ATOM 1151 CG GLN A 65 -0.760 10.288 6.429 1.00 0.00 C ATOM 1152 CD GLN A 65 0.183 9.193 6.886 1.00 0.00 C ATOM 1153 OE1 GLN A 65 1.401 9.305 6.739 1.00 0.00 O ATOM 1154 NE2 GLN A 65 -0.375 8.126 7.446 1.00 0.00 N ATOM 0 H GLN A 65 -1.947 9.774 4.069 1.00 0.00 H new ATOM 0 HA GLN A 65 -1.907 12.384 5.042 1.00 0.00 H new ATOM 0 HB2 GLN A 65 0.366 10.404 4.613 1.00 0.00 H new ATOM 0 HB3 GLN A 65 0.469 11.839 5.614 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -0.948 10.970 7.258 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -1.718 9.846 6.156 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -1.389 8.075 7.548 1.00 0.00 H new ATOM 0 HE22 GLN A 65 0.210 7.358 7.774 1.00 0.00 H new ATOM 1163 N VAL A 66 -0.195 11.960 2.255 1.00 0.00 N ATOM 1164 CA VAL A 66 0.438 12.669 1.149 1.00 0.00 C ATOM 1165 C VAL A 66 -0.478 13.753 0.595 1.00 0.00 C ATOM 1166 O VAL A 66 -0.025 14.836 0.223 1.00 0.00 O ATOM 1167 CB VAL A 66 0.823 11.705 0.011 1.00 0.00 C ATOM 1168 CG1 VAL A 66 1.311 12.479 -1.203 1.00 0.00 C ATOM 1169 CG2 VAL A 66 1.879 10.717 0.484 1.00 0.00 C ATOM 0 H VAL A 66 -0.243 10.948 2.135 1.00 0.00 H new ATOM 0 HA VAL A 66 1.343 13.130 1.545 1.00 0.00 H new ATOM 0 HB VAL A 66 -0.064 11.142 -0.280 1.00 0.00 H new ATOM 0 HG11 VAL A 66 1.578 11.781 -1.996 1.00 0.00 H new ATOM 0 HG12 VAL A 66 0.520 13.142 -1.554 1.00 0.00 H new ATOM 0 HG13 VAL A 66 2.185 13.070 -0.930 1.00 0.00 H new ATOM 0 HG21 VAL A 66 2.139 10.044 -0.333 1.00 0.00 H new ATOM 0 HG22 VAL A 66 2.768 11.260 0.804 1.00 0.00 H new ATOM 0 HG23 VAL A 66 1.487 10.138 1.320 1.00 0.00 H new ATOM 1179 N LYS A 67 -1.772 13.456 0.541 1.00 0.00 N ATOM 1180 CA LYS A 67 -2.756 14.405 0.033 1.00 0.00 C ATOM 1181 C LYS A 67 -2.771 15.676 0.876 1.00 0.00 C ATOM 1182 O LYS A 67 -3.010 16.769 0.363 1.00 0.00 O ATOM 1183 CB LYS A 67 -4.148 13.771 0.022 1.00 0.00 C ATOM 1184 CG LYS A 67 -4.481 13.056 -1.276 1.00 0.00 C ATOM 1185 CD LYS A 67 -5.815 12.333 -1.189 1.00 0.00 C ATOM 1186 CE LYS A 67 -6.981 13.307 -1.247 1.00 0.00 C ATOM 1187 NZ LYS A 67 -7.106 13.944 -2.587 1.00 0.00 N ATOM 0 H LYS A 67 -2.164 12.564 0.843 1.00 0.00 H new ATOM 0 HA LYS A 67 -2.476 14.670 -0.987 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -4.222 13.062 0.847 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -4.893 14.547 0.201 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -4.510 13.777 -2.093 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -3.693 12.340 -1.511 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -5.896 11.617 -2.007 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -5.861 11.763 -0.261 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -7.905 12.781 -1.007 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -6.847 14.079 -0.489 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -8.051 14.366 -2.684 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -6.384 14.685 -2.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -6.970 13.226 -3.327 1.00 0.00 H new ATOM 1201 N ASP A 68 -2.512 15.525 2.170 1.00 0.00 N ATOM 1202 CA ASP A 68 -2.494 16.662 3.083 1.00 0.00 C ATOM 1203 C ASP A 68 -1.212 17.472 2.916 1.00 0.00 C ATOM 1204 O ASP A 68 -1.256 18.671 2.639 1.00 0.00 O ATOM 1205 CB ASP A 68 -2.624 16.183 4.530 1.00 0.00 C ATOM 1206 CG ASP A 68 -3.068 17.288 5.468 1.00 0.00 C ATOM 1207 OD1 ASP A 68 -4.060 17.975 5.147 1.00 0.00 O ATOM 1208 OD2 ASP A 68 -2.423 17.467 6.522 1.00 0.00 O ATOM 0 H ASP A 68 -2.312 14.627 2.610 1.00 0.00 H new ATOM 0 HA ASP A 68 -3.342 17.303 2.843 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -3.340 15.363 4.575 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -1.665 15.788 4.866 1.00 0.00 H new ATOM 1213 N ILE A 69 -0.073 16.810 3.088 1.00 0.00 N ATOM 1214 CA ILE A 69 1.220 17.469 2.956 1.00 0.00 C ATOM 1215 C ILE A 69 1.337 18.187 1.615 1.00 0.00 C ATOM 1216 O ILE A 69 1.863 19.297 1.538 1.00 0.00 O ATOM 1217 CB ILE A 69 2.381 16.465 3.090 1.00 0.00 C ATOM 1218 CG1 ILE A 69 2.596 15.722 1.770 1.00 0.00 C ATOM 1219 CG2 ILE A 69 2.102 15.483 4.218 1.00 0.00 C ATOM 1220 CD1 ILE A 69 3.768 14.765 1.800 1.00 0.00 C ATOM 0 H ILE A 69 -0.019 15.818 3.319 1.00 0.00 H new ATOM 0 HA ILE A 69 1.286 18.198 3.764 1.00 0.00 H new ATOM 0 HB ILE A 69 3.292 17.014 3.328 1.00 0.00 H new ATOM 0 HG12 ILE A 69 1.691 15.168 1.523 1.00 0.00 H new ATOM 0 HG13 ILE A 69 2.752 16.450 0.974 1.00 0.00 H new ATOM 0 HG21 ILE A 69 2.930 14.780 4.301 1.00 0.00 H new ATOM 0 HG22 ILE A 69 1.993 16.028 5.156 1.00 0.00 H new ATOM 0 HG23 ILE A 69 1.183 14.937 4.006 1.00 0.00 H new ATOM 0 HD11 ILE A 69 3.861 14.273 0.832 1.00 0.00 H new ATOM 0 HD12 ILE A 69 4.683 15.317 2.016 1.00 0.00 H new ATOM 0 HD13 ILE A 69 3.605 14.015 2.574 1.00 0.00 H new ATOM 1232 N MET A 70 0.842 17.546 0.562 1.00 0.00 N ATOM 1233 CA MET A 70 0.888 18.126 -0.776 1.00 0.00 C ATOM 1234 C MET A 70 -0.015 19.351 -0.869 1.00 0.00 C ATOM 1235 O MET A 70 -0.967 19.494 -0.101 1.00 0.00 O ATOM 1236 CB MET A 70 0.469 17.088 -1.819 1.00 0.00 C ATOM 1237 CG MET A 70 -1.024 17.081 -2.103 1.00 0.00 C ATOM 1238 SD MET A 70 -1.493 18.261 -3.384 1.00 0.00 S ATOM 1239 CE MET A 70 -2.868 17.403 -4.147 1.00 0.00 C ATOM 0 H MET A 70 0.405 16.626 0.608 1.00 0.00 H new ATOM 0 HA MET A 70 1.913 18.437 -0.975 1.00 0.00 H new ATOM 0 HB2 MET A 70 1.006 17.281 -2.748 1.00 0.00 H new ATOM 0 HB3 MET A 70 0.770 16.098 -1.476 1.00 0.00 H new ATOM 0 HG2 MET A 70 -1.327 16.080 -2.408 1.00 0.00 H new ATOM 0 HG3 MET A 70 -1.566 17.312 -1.186 1.00 0.00 H new ATOM 0 HE1 MET A 70 -3.268 18.008 -4.961 1.00 0.00 H new ATOM 0 HE2 MET A 70 -2.526 16.446 -4.540 1.00 0.00 H new ATOM 0 HE3 MET A 70 -3.648 17.233 -3.405 1.00 0.00 H new