USER MOD reduce.3.24.130724 H: found=0, std=0, add=593, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 594 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 69 SER OG : rot -85:sc= 1.46 USER MOD Set 1.2: A 71 THR OG1 : rot -56:sc= 0.455 USER MOD Set 2.1: A 45 MET CE :methyl -153:sc= -1.13 (180deg=-1.06) USER MOD Set 2.2: A 50 GLN : amide:sc= -0.917 K(o=-3.1,f=-4.4) USER MOD Set 2.3: A 60 MET CE :methyl -165:sc= -0.558 (180deg=-0.949) USER MOD Set 2.4: A 80 MET CE :methyl 178:sc= -0.482 (180deg=-0.51) USER MOD Set 3.1: A 38 THR OG1 : rot 28:sc= -3.02! USER MOD Set 3.2: A 58 GLN : amide:sc= -0.0265 K(o=-3,f=-2.2) USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 GLN : amide:sc= -0.545 K(o=-0.54,f=-2.6!) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0.0443 USER MOD Single : A 16 GLN : amide:sc= -0.196 X(o=-0.2,f=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 ASN : amide:sc= -0.117 X(o=-0.12,f=-0.56) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= -0.013 X(o=-0.013,f=0) USER MOD Single : A 35 CYS SG : rot -9:sc= -0.0366 USER MOD Single : A 37 SER OG : rot 120:sc= -0.249 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ -163:sc=-0.00516 (180deg=-0.145) USER MOD Single : A 47 MET CE :methyl -108:sc= -0.582 (180deg=-2.24!) USER MOD Single : A 51 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.429 USER MOD Single : A 81 MET CE :methyl -156:sc= -1.5 (180deg=-3.68!) USER MOD ----------------------------------------------------------------- ATOM 65 N TYR A 5 -6.555 8.723 0.893 1.00 0.00 N ATOM 66 CA TYR A 5 -6.095 7.780 -0.136 1.00 0.00 C ATOM 67 C TYR A 5 -7.230 7.465 -1.112 1.00 0.00 C ATOM 68 O TYR A 5 -7.021 7.393 -2.325 1.00 0.00 O ATOM 69 CB TYR A 5 -5.613 6.473 0.504 1.00 0.00 C ATOM 70 CG TYR A 5 -4.245 6.676 1.115 1.00 0.00 C ATOM 71 CD1 TYR A 5 -4.124 7.243 2.391 1.00 0.00 C ATOM 72 CD2 TYR A 5 -3.098 6.296 0.407 1.00 0.00 C ATOM 73 CE1 TYR A 5 -2.859 7.431 2.956 1.00 0.00 C ATOM 74 CE2 TYR A 5 -1.832 6.484 0.974 1.00 0.00 C ATOM 75 CZ TYR A 5 -1.712 7.051 2.248 1.00 0.00 C ATOM 76 OH TYR A 5 -0.463 7.236 2.808 1.00 0.00 O ATOM 0 HA TYR A 5 -5.268 8.246 -0.672 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -6.319 6.150 1.269 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -5.573 5.683 -0.246 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -5.008 7.535 2.938 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -3.190 5.858 -0.576 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -2.766 7.869 3.939 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -0.947 6.191 0.428 1.00 0.00 H new ATOM 0 HH TYR A 5 0.225 6.918 2.186 1.00 0.00 H new ATOM 86 N LYS A 6 -8.435 7.291 -0.562 1.00 0.00 N ATOM 87 CA LYS A 6 -9.615 6.994 -1.380 1.00 0.00 C ATOM 88 C LYS A 6 -10.215 8.277 -1.966 1.00 0.00 C ATOM 89 O LYS A 6 -10.884 8.243 -3.000 1.00 0.00 O ATOM 90 CB LYS A 6 -10.682 6.283 -0.542 1.00 0.00 C ATOM 91 CG LYS A 6 -10.413 4.775 -0.540 1.00 0.00 C ATOM 92 CD LYS A 6 -10.362 4.263 0.902 1.00 0.00 C ATOM 93 CE LYS A 6 -8.921 4.319 1.418 1.00 0.00 C ATOM 94 NZ LYS A 6 -8.926 4.445 2.904 1.00 0.00 N ATOM 0 H LYS A 6 -8.619 7.350 0.440 1.00 0.00 H new ATOM 0 HA LYS A 6 -9.295 6.345 -2.195 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -10.672 6.666 0.479 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -11.673 6.485 -0.949 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -11.195 4.255 -1.093 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -9.471 4.563 -1.045 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -11.010 4.868 1.536 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -10.736 3.240 0.949 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -8.383 3.419 1.121 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -8.397 5.165 0.973 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -7.947 4.483 3.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -9.425 5.316 3.177 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -9.410 3.624 3.320 1.00 0.00 H new ATOM 108 N ALA A 7 -9.968 9.409 -1.295 1.00 0.00 N ATOM 109 CA ALA A 7 -10.485 10.699 -1.755 1.00 0.00 C ATOM 110 C ALA A 7 -9.806 11.137 -3.058 1.00 0.00 C ATOM 111 O ALA A 7 -10.394 11.867 -3.853 1.00 0.00 O ATOM 112 CB ALA A 7 -10.258 11.774 -0.691 1.00 0.00 C ATOM 0 H ALA A 7 -9.417 9.456 -0.438 1.00 0.00 H new ATOM 0 HA ALA A 7 -11.553 10.578 -1.936 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -10.648 12.727 -1.048 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -10.774 11.492 0.227 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -9.191 11.870 -0.493 1.00 0.00 H new ATOM 118 N ALA A 8 -8.562 10.688 -3.265 1.00 0.00 N ATOM 119 CA ALA A 8 -7.817 11.047 -4.475 1.00 0.00 C ATOM 120 C ALA A 8 -8.212 10.153 -5.651 1.00 0.00 C ATOM 121 O ALA A 8 -8.415 10.637 -6.765 1.00 0.00 O ATOM 122 CB ALA A 8 -6.312 10.916 -4.234 1.00 0.00 C ATOM 0 H ALA A 8 -8.056 10.083 -2.618 1.00 0.00 H new ATOM 0 HA ALA A 8 -8.062 12.081 -4.717 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -5.773 11.186 -5.142 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -6.014 11.581 -3.424 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -6.075 9.887 -3.964 1.00 0.00 H new ATOM 128 N VAL A 9 -8.318 8.844 -5.393 1.00 0.00 N ATOM 129 CA VAL A 9 -8.690 7.890 -6.446 1.00 0.00 C ATOM 130 C VAL A 9 -10.121 8.148 -6.948 1.00 0.00 C ATOM 131 O VAL A 9 -10.453 7.824 -8.089 1.00 0.00 O ATOM 132 CB VAL A 9 -8.570 6.441 -5.939 1.00 0.00 C ATOM 133 CG1 VAL A 9 -9.637 6.156 -4.878 1.00 0.00 C ATOM 134 CG2 VAL A 9 -8.749 5.468 -7.110 1.00 0.00 C ATOM 0 H VAL A 9 -8.154 8.425 -4.478 1.00 0.00 H new ATOM 0 HA VAL A 9 -7.999 8.033 -7.277 1.00 0.00 H new ATOM 0 HB VAL A 9 -7.583 6.308 -5.496 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -9.539 5.128 -4.530 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -9.506 6.838 -4.038 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -10.627 6.299 -5.310 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -8.664 4.443 -6.748 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -9.732 5.614 -7.557 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -7.979 5.654 -7.858 1.00 0.00 H new ATOM 144 N GLU A 10 -10.960 8.738 -6.089 1.00 0.00 N ATOM 145 CA GLU A 10 -12.341 9.036 -6.467 1.00 0.00 C ATOM 146 C GLU A 10 -12.436 10.341 -7.272 1.00 0.00 C ATOM 147 O GLU A 10 -13.441 10.584 -7.944 1.00 0.00 O ATOM 148 CB GLU A 10 -13.228 9.138 -5.220 1.00 0.00 C ATOM 149 CG GLU A 10 -12.855 10.379 -4.402 1.00 0.00 C ATOM 150 CD GLU A 10 -13.953 10.672 -3.385 1.00 0.00 C ATOM 151 OE1 GLU A 10 -13.909 10.096 -2.310 1.00 0.00 O ATOM 152 OE2 GLU A 10 -14.820 11.473 -3.695 1.00 0.00 O ATOM 0 H GLU A 10 -10.709 9.015 -5.140 1.00 0.00 H new ATOM 0 HA GLU A 10 -12.690 8.217 -7.096 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -14.276 9.190 -5.514 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -13.112 8.243 -4.609 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -11.906 10.218 -3.891 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -12.720 11.235 -5.063 1.00 0.00 H new ATOM 159 N GLN A 11 -11.395 11.187 -7.194 1.00 0.00 N ATOM 160 CA GLN A 11 -11.409 12.463 -7.919 1.00 0.00 C ATOM 161 C GLN A 11 -10.192 12.623 -8.847 1.00 0.00 C ATOM 162 O GLN A 11 -9.840 13.744 -9.225 1.00 0.00 O ATOM 163 CB GLN A 11 -11.458 13.637 -6.929 1.00 0.00 C ATOM 164 CG GLN A 11 -10.132 13.742 -6.161 1.00 0.00 C ATOM 165 CD GLN A 11 -10.328 14.571 -4.889 1.00 0.00 C ATOM 166 OE1 GLN A 11 -11.457 14.862 -4.489 1.00 0.00 O ATOM 167 NE2 GLN A 11 -9.281 14.967 -4.217 1.00 0.00 N ATOM 0 H GLN A 11 -10.551 11.014 -6.648 1.00 0.00 H new ATOM 0 HA GLN A 11 -12.303 12.465 -8.542 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -11.650 14.566 -7.465 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -12.282 13.497 -6.229 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -9.771 12.746 -5.904 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -9.372 14.203 -6.792 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -8.345 14.729 -4.544 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -9.399 15.515 -3.365 1.00 0.00 H new ATOM 176 N LEU A 12 -9.564 11.504 -9.231 1.00 0.00 N ATOM 177 CA LEU A 12 -8.404 11.568 -10.134 1.00 0.00 C ATOM 178 C LEU A 12 -8.867 11.837 -11.570 1.00 0.00 C ATOM 179 O LEU A 12 -10.062 11.999 -11.828 1.00 0.00 O ATOM 180 CB LEU A 12 -7.578 10.268 -10.097 1.00 0.00 C ATOM 181 CG LEU A 12 -8.361 8.966 -9.886 1.00 0.00 C ATOM 182 CD1 LEU A 12 -9.480 8.851 -10.924 1.00 0.00 C ATOM 183 CD2 LEU A 12 -7.409 7.775 -10.029 1.00 0.00 C ATOM 0 H LEU A 12 -9.830 10.563 -8.940 1.00 0.00 H new ATOM 0 HA LEU A 12 -7.768 12.384 -9.791 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -7.027 10.187 -11.034 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -6.840 10.355 -9.300 1.00 0.00 H new ATOM 0 HG LEU A 12 -8.801 8.970 -8.889 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -10.030 7.923 -10.765 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -10.159 9.697 -10.822 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -9.049 8.851 -11.925 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -7.962 6.847 -9.880 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -6.969 7.779 -11.026 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -6.618 7.850 -9.283 1.00 0.00 H new ATOM 195 N THR A 13 -7.912 11.889 -12.504 1.00 0.00 N ATOM 196 CA THR A 13 -8.246 12.146 -13.906 1.00 0.00 C ATOM 197 C THR A 13 -8.443 10.839 -14.664 1.00 0.00 C ATOM 198 O THR A 13 -8.031 9.767 -14.214 1.00 0.00 O ATOM 199 CB THR A 13 -7.139 12.949 -14.608 1.00 0.00 C ATOM 200 OG1 THR A 13 -5.907 12.776 -13.925 1.00 0.00 O ATOM 201 CG2 THR A 13 -7.510 14.430 -14.633 1.00 0.00 C ATOM 0 H THR A 13 -6.918 11.759 -12.318 1.00 0.00 H new ATOM 0 HA THR A 13 -9.171 12.723 -13.910 1.00 0.00 H new ATOM 0 HB THR A 13 -7.034 12.588 -15.631 1.00 0.00 H new ATOM 0 HG1 THR A 13 -5.206 13.289 -14.379 1.00 0.00 H new ATOM 0 HG21 THR A 13 -6.722 14.994 -15.132 1.00 0.00 H new ATOM 0 HG22 THR A 13 -8.448 14.561 -15.173 1.00 0.00 H new ATOM 0 HG23 THR A 13 -7.626 14.793 -13.612 1.00 0.00 H new ATOM 209 N ASP A 14 -9.059 10.958 -15.839 1.00 0.00 N ATOM 210 CA ASP A 14 -9.297 9.796 -16.694 1.00 0.00 C ATOM 211 C ASP A 14 -7.976 9.304 -17.280 1.00 0.00 C ATOM 212 O ASP A 14 -7.793 8.107 -17.507 1.00 0.00 O ATOM 213 CB ASP A 14 -10.244 10.156 -17.841 1.00 0.00 C ATOM 214 CG ASP A 14 -11.670 10.285 -17.311 1.00 0.00 C ATOM 215 OD1 ASP A 14 -12.369 9.285 -17.301 1.00 0.00 O ATOM 216 OD2 ASP A 14 -12.039 11.381 -16.922 1.00 0.00 O ATOM 0 H ASP A 14 -9.400 11.841 -16.219 1.00 0.00 H new ATOM 0 HA ASP A 14 -9.750 9.013 -16.087 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -9.931 11.093 -18.303 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -10.201 9.389 -18.615 1.00 0.00 H new ATOM 221 N GLU A 15 -7.051 10.247 -17.507 1.00 0.00 N ATOM 222 CA GLU A 15 -5.739 9.905 -18.054 1.00 0.00 C ATOM 223 C GLU A 15 -4.912 9.161 -17.008 1.00 0.00 C ATOM 224 O GLU A 15 -4.201 8.211 -17.329 1.00 0.00 O ATOM 225 CB GLU A 15 -4.983 11.165 -18.484 1.00 0.00 C ATOM 226 CG GLU A 15 -5.248 11.440 -19.967 1.00 0.00 C ATOM 227 CD GLU A 15 -4.113 12.281 -20.544 1.00 0.00 C ATOM 228 OE1 GLU A 15 -3.121 11.699 -20.955 1.00 0.00 O ATOM 229 OE2 GLU A 15 -4.252 13.493 -20.567 1.00 0.00 O ATOM 0 H GLU A 15 -7.188 11.241 -17.321 1.00 0.00 H new ATOM 0 HA GLU A 15 -5.893 9.268 -18.925 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -5.302 12.016 -17.883 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -3.914 11.037 -18.313 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -5.331 10.500 -20.512 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -6.197 11.962 -20.086 1.00 0.00 H new ATOM 236 N GLN A 16 -5.033 9.599 -15.748 1.00 0.00 N ATOM 237 CA GLN A 16 -4.309 8.965 -14.642 1.00 0.00 C ATOM 238 C GLN A 16 -4.699 7.490 -14.537 1.00 0.00 C ATOM 239 O GLN A 16 -3.845 6.621 -14.346 1.00 0.00 O ATOM 240 CB GLN A 16 -4.629 9.674 -13.319 1.00 0.00 C ATOM 241 CG GLN A 16 -3.920 8.967 -12.157 1.00 0.00 C ATOM 242 CD GLN A 16 -3.324 10.005 -11.211 1.00 0.00 C ATOM 243 OE1 GLN A 16 -2.111 10.040 -11.004 1.00 0.00 O ATOM 244 NE2 GLN A 16 -4.111 10.863 -10.618 1.00 0.00 N ATOM 0 H GLN A 16 -5.622 10.385 -15.472 1.00 0.00 H new ATOM 0 HA GLN A 16 -3.240 9.043 -14.839 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -4.311 10.715 -13.369 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -5.706 9.677 -13.150 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -4.625 8.333 -11.619 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -3.134 8.316 -12.540 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -5.116 10.835 -10.788 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -3.720 11.560 -9.985 1.00 0.00 H new ATOM 253 N LYS A 17 -6.001 7.222 -14.682 1.00 0.00 N ATOM 254 CA LYS A 17 -6.507 5.850 -14.622 1.00 0.00 C ATOM 255 C LYS A 17 -6.025 5.054 -15.835 1.00 0.00 C ATOM 256 O LYS A 17 -5.721 3.867 -15.726 1.00 0.00 O ATOM 257 CB LYS A 17 -8.039 5.832 -14.608 1.00 0.00 C ATOM 258 CG LYS A 17 -8.564 6.607 -13.396 1.00 0.00 C ATOM 259 CD LYS A 17 -9.958 7.161 -13.710 1.00 0.00 C ATOM 260 CE LYS A 17 -11.016 6.369 -12.935 1.00 0.00 C ATOM 261 NZ LYS A 17 -11.299 5.085 -13.639 1.00 0.00 N ATOM 0 H LYS A 17 -6.717 7.931 -14.840 1.00 0.00 H new ATOM 0 HA LYS A 17 -6.130 5.399 -13.704 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -8.424 6.274 -15.527 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -8.398 4.803 -14.575 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -8.608 5.954 -12.524 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -7.884 7.422 -13.149 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -10.010 8.216 -13.440 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -10.153 7.096 -14.780 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -10.666 6.170 -11.922 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -11.931 6.955 -12.846 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -12.017 4.550 -13.110 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -11.651 5.285 -14.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -10.426 4.524 -13.701 1.00 0.00 H new ATOM 275 N ASN A 18 -5.965 5.725 -16.993 1.00 0.00 N ATOM 276 CA ASN A 18 -5.526 5.076 -18.233 1.00 0.00 C ATOM 277 C ASN A 18 -4.044 4.692 -18.177 1.00 0.00 C ATOM 278 O ASN A 18 -3.633 3.714 -18.803 1.00 0.00 O ATOM 279 CB ASN A 18 -5.748 6.002 -19.435 1.00 0.00 C ATOM 280 CG ASN A 18 -7.193 5.888 -19.918 1.00 0.00 C ATOM 281 OD1 ASN A 18 -7.715 4.784 -20.087 1.00 0.00 O ATOM 282 ND2 ASN A 18 -7.878 6.974 -20.157 1.00 0.00 N ATOM 0 H ASN A 18 -6.213 6.709 -17.096 1.00 0.00 H new ATOM 0 HA ASN A 18 -6.122 4.170 -18.345 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -5.528 7.033 -19.157 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -5.064 5.737 -20.241 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -8.842 6.907 -20.483 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -7.449 7.889 -20.018 1.00 0.00 H new ATOM 289 N GLU A 19 -3.244 5.464 -17.430 1.00 0.00 N ATOM 290 CA GLU A 19 -1.806 5.176 -17.315 1.00 0.00 C ATOM 291 C GLU A 19 -1.586 3.764 -16.785 1.00 0.00 C ATOM 292 O GLU A 19 -0.789 2.997 -17.331 1.00 0.00 O ATOM 293 CB GLU A 19 -1.103 6.153 -16.358 1.00 0.00 C ATOM 294 CG GLU A 19 -1.549 7.587 -16.637 1.00 0.00 C ATOM 295 CD GLU A 19 -0.365 8.536 -16.478 1.00 0.00 C ATOM 296 OE1 GLU A 19 -0.136 8.985 -15.366 1.00 0.00 O ATOM 297 OE2 GLU A 19 0.296 8.799 -17.471 1.00 0.00 O ATOM 0 H GLU A 19 -3.559 6.279 -16.904 1.00 0.00 H new ATOM 0 HA GLU A 19 -1.385 5.283 -18.315 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -1.332 5.889 -15.326 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -0.022 6.072 -16.475 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -1.954 7.662 -17.646 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -2.348 7.869 -15.951 1.00 0.00 H new ATOM 304 N PHE A 20 -2.295 3.437 -15.703 1.00 0.00 N ATOM 305 CA PHE A 20 -2.167 2.122 -15.084 1.00 0.00 C ATOM 306 C PHE A 20 -3.098 1.101 -15.735 1.00 0.00 C ATOM 307 O PHE A 20 -2.705 -0.039 -15.954 1.00 0.00 O ATOM 308 CB PHE A 20 -2.488 2.205 -13.593 1.00 0.00 C ATOM 309 CG PHE A 20 -1.304 2.778 -12.851 1.00 0.00 C ATOM 310 CD1 PHE A 20 -1.169 4.163 -12.694 1.00 0.00 C ATOM 311 CD2 PHE A 20 -0.340 1.918 -12.315 1.00 0.00 C ATOM 312 CE1 PHE A 20 -0.071 4.682 -12.001 1.00 0.00 C ATOM 313 CE2 PHE A 20 0.756 2.434 -11.623 1.00 0.00 C ATOM 314 CZ PHE A 20 0.892 3.817 -11.463 1.00 0.00 C ATOM 0 H PHE A 20 -2.958 4.061 -15.242 1.00 0.00 H new ATOM 0 HA PHE A 20 -1.137 1.796 -15.227 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -3.367 2.830 -13.434 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -2.727 1.214 -13.207 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -1.912 4.829 -13.107 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -0.445 0.850 -12.437 1.00 0.00 H new ATOM 0 HE1 PHE A 20 0.035 5.750 -11.880 1.00 0.00 H new ATOM 0 HE2 PHE A 20 1.499 1.767 -11.211 1.00 0.00 H new ATOM 0 HZ PHE A 20 1.738 4.218 -10.925 1.00 0.00 H new ATOM 324 N LYS A 21 -4.336 1.512 -16.030 1.00 0.00 N ATOM 325 CA LYS A 21 -5.314 0.604 -16.645 1.00 0.00 C ATOM 326 C LYS A 21 -4.790 0.033 -17.967 1.00 0.00 C ATOM 327 O LYS A 21 -5.000 -1.143 -18.266 1.00 0.00 O ATOM 328 CB LYS A 21 -6.643 1.330 -16.891 1.00 0.00 C ATOM 329 CG LYS A 21 -7.674 0.357 -17.477 1.00 0.00 C ATOM 330 CD LYS A 21 -7.767 0.552 -18.995 1.00 0.00 C ATOM 331 CE LYS A 21 -8.942 1.478 -19.325 1.00 0.00 C ATOM 332 NZ LYS A 21 -10.197 0.677 -19.430 1.00 0.00 N ATOM 0 H LYS A 21 -4.683 2.455 -15.856 1.00 0.00 H new ATOM 0 HA LYS A 21 -5.476 -0.221 -15.951 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -7.016 1.748 -15.956 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -6.489 2.165 -17.575 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -7.389 -0.670 -17.250 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -8.649 0.526 -17.019 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -6.838 0.978 -19.374 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -7.901 -0.411 -19.488 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -9.048 2.238 -18.551 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -8.753 2.002 -20.262 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -10.993 1.307 -19.654 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -10.094 -0.032 -20.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -10.379 0.197 -18.526 1.00 0.00 H new ATOM 346 N ALA A 22 -4.096 0.870 -18.748 1.00 0.00 N ATOM 347 CA ALA A 22 -3.536 0.424 -20.029 1.00 0.00 C ATOM 348 C ALA A 22 -2.545 -0.716 -19.796 1.00 0.00 C ATOM 349 O ALA A 22 -2.659 -1.789 -20.393 1.00 0.00 O ATOM 350 CB ALA A 22 -2.810 1.572 -20.729 1.00 0.00 C ATOM 0 H ALA A 22 -3.911 1.847 -18.520 1.00 0.00 H new ATOM 0 HA ALA A 22 -4.358 0.081 -20.658 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -2.402 1.220 -21.677 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -3.511 2.386 -20.915 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -1.999 1.930 -20.095 1.00 0.00 H new ATOM 356 N ALA A 23 -1.586 -0.468 -18.900 1.00 0.00 N ATOM 357 CA ALA A 23 -0.579 -1.471 -18.556 1.00 0.00 C ATOM 358 C ALA A 23 -1.244 -2.652 -17.852 1.00 0.00 C ATOM 359 O ALA A 23 -0.868 -3.805 -18.048 1.00 0.00 O ATOM 360 CB ALA A 23 0.480 -0.868 -17.626 1.00 0.00 C ATOM 0 H ALA A 23 -1.487 0.417 -18.402 1.00 0.00 H new ATOM 0 HA ALA A 23 -0.101 -1.809 -19.475 1.00 0.00 H new ATOM 0 HB1 ALA A 23 1.222 -1.627 -17.379 1.00 0.00 H new ATOM 0 HB2 ALA A 23 0.969 -0.031 -18.125 1.00 0.00 H new ATOM 0 HB3 ALA A 23 0.003 -0.516 -16.711 1.00 0.00 H new ATOM 366 N PHE A 24 -2.250 -2.340 -17.036 1.00 0.00 N ATOM 367 CA PHE A 24 -2.988 -3.364 -16.300 1.00 0.00 C ATOM 368 C PHE A 24 -3.621 -4.367 -17.265 1.00 0.00 C ATOM 369 O PHE A 24 -3.538 -5.574 -17.056 1.00 0.00 O ATOM 370 CB PHE A 24 -4.094 -2.715 -15.458 1.00 0.00 C ATOM 371 CG PHE A 24 -4.579 -3.686 -14.409 1.00 0.00 C ATOM 372 CD1 PHE A 24 -5.472 -4.705 -14.758 1.00 0.00 C ATOM 373 CD2 PHE A 24 -4.137 -3.565 -13.088 1.00 0.00 C ATOM 374 CE1 PHE A 24 -5.921 -5.602 -13.786 1.00 0.00 C ATOM 375 CE2 PHE A 24 -4.584 -4.461 -12.117 1.00 0.00 C ATOM 376 CZ PHE A 24 -5.477 -5.479 -12.464 1.00 0.00 C ATOM 0 H PHE A 24 -2.572 -1.387 -16.868 1.00 0.00 H new ATOM 0 HA PHE A 24 -2.287 -3.885 -15.648 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -3.717 -1.810 -14.982 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -4.923 -2.415 -16.099 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -5.814 -4.798 -15.778 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -3.449 -2.777 -12.819 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -6.610 -6.389 -14.054 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -4.240 -4.368 -11.097 1.00 0.00 H new ATOM 0 HZ PHE A 24 -5.825 -6.171 -11.712 1.00 0.00 H new ATOM 386 N ASP A 25 -4.259 -3.843 -18.316 1.00 0.00 N ATOM 387 CA ASP A 25 -4.923 -4.691 -19.312 1.00 0.00 C ATOM 388 C ASP A 25 -3.943 -5.654 -19.987 1.00 0.00 C ATOM 389 O ASP A 25 -4.259 -6.827 -20.193 1.00 0.00 O ATOM 390 CB ASP A 25 -5.588 -3.827 -20.390 1.00 0.00 C ATOM 391 CG ASP A 25 -6.698 -4.624 -21.069 1.00 0.00 C ATOM 392 OD1 ASP A 25 -7.808 -4.607 -20.562 1.00 0.00 O ATOM 393 OD2 ASP A 25 -6.421 -5.240 -22.087 1.00 0.00 O ATOM 0 H ASP A 25 -4.330 -2.842 -18.499 1.00 0.00 H new ATOM 0 HA ASP A 25 -5.675 -5.276 -18.782 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -5.998 -2.921 -19.943 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -4.849 -3.513 -21.127 1.00 0.00 H new ATOM 398 N ILE A 26 -2.758 -5.148 -20.344 1.00 0.00 N ATOM 399 CA ILE A 26 -1.753 -5.983 -21.016 1.00 0.00 C ATOM 400 C ILE A 26 -1.087 -6.960 -20.040 1.00 0.00 C ATOM 401 O ILE A 26 -0.825 -8.110 -20.393 1.00 0.00 O ATOM 402 CB ILE A 26 -0.675 -5.123 -21.699 1.00 0.00 C ATOM 403 CG1 ILE A 26 -0.064 -4.136 -20.696 1.00 0.00 C ATOM 404 CG2 ILE A 26 -1.309 -4.348 -22.858 1.00 0.00 C ATOM 405 CD1 ILE A 26 1.091 -3.372 -21.345 1.00 0.00 C ATOM 0 H ILE A 26 -2.473 -4.182 -20.183 1.00 0.00 H new ATOM 0 HA ILE A 26 -2.281 -6.557 -21.777 1.00 0.00 H new ATOM 0 HB ILE A 26 0.114 -5.774 -22.075 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -0.826 -3.436 -20.353 1.00 0.00 H new ATOM 0 HG13 ILE A 26 0.294 -4.673 -19.818 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -0.550 -3.737 -23.346 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -1.728 -5.050 -23.579 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -2.101 -3.705 -22.475 1.00 0.00 H new ATOM 0 HD11 ILE A 26 1.517 -2.675 -20.624 1.00 0.00 H new ATOM 0 HD12 ILE A 26 1.859 -4.076 -21.665 1.00 0.00 H new ATOM 0 HD13 ILE A 26 0.722 -2.820 -22.209 1.00 0.00 H new ATOM 417 N PHE A 27 -0.811 -6.498 -18.814 1.00 0.00 N ATOM 418 CA PHE A 27 -0.170 -7.358 -17.812 1.00 0.00 C ATOM 419 C PHE A 27 -1.111 -8.476 -17.347 1.00 0.00 C ATOM 420 O PHE A 27 -0.656 -9.574 -17.021 1.00 0.00 O ATOM 421 CB PHE A 27 0.303 -6.537 -16.606 1.00 0.00 C ATOM 422 CG PHE A 27 1.547 -5.765 -16.993 1.00 0.00 C ATOM 423 CD1 PHE A 27 2.665 -6.444 -17.497 1.00 0.00 C ATOM 424 CD2 PHE A 27 1.578 -4.372 -16.865 1.00 0.00 C ATOM 425 CE1 PHE A 27 3.808 -5.730 -17.873 1.00 0.00 C ATOM 426 CE2 PHE A 27 2.722 -3.659 -17.240 1.00 0.00 C ATOM 427 CZ PHE A 27 3.836 -4.337 -17.745 1.00 0.00 C ATOM 0 H PHE A 27 -1.017 -5.551 -18.496 1.00 0.00 H new ATOM 0 HA PHE A 27 0.697 -7.816 -18.288 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -0.482 -5.851 -16.286 1.00 0.00 H new ATOM 0 HB3 PHE A 27 0.515 -7.194 -15.763 1.00 0.00 H new ATOM 0 HD1 PHE A 27 2.644 -7.519 -17.595 1.00 0.00 H new ATOM 0 HD2 PHE A 27 0.718 -3.847 -16.476 1.00 0.00 H new ATOM 0 HE1 PHE A 27 4.669 -6.254 -18.262 1.00 0.00 H new ATOM 0 HE2 PHE A 27 2.745 -2.584 -17.139 1.00 0.00 H new ATOM 0 HZ PHE A 27 4.718 -3.785 -18.036 1.00 0.00 H new ATOM 437 N ILE A 28 -2.424 -8.204 -17.338 1.00 0.00 N ATOM 438 CA ILE A 28 -3.400 -9.229 -16.932 1.00 0.00 C ATOM 439 C ILE A 28 -3.982 -9.952 -18.157 1.00 0.00 C ATOM 440 O ILE A 28 -4.988 -10.657 -18.049 1.00 0.00 O ATOM 441 CB ILE A 28 -4.551 -8.620 -16.107 1.00 0.00 C ATOM 442 CG1 ILE A 28 -5.392 -7.670 -16.974 1.00 0.00 C ATOM 443 CG2 ILE A 28 -3.981 -7.849 -14.917 1.00 0.00 C ATOM 444 CD1 ILE A 28 -6.604 -8.416 -17.536 1.00 0.00 C ATOM 0 H ILE A 28 -2.829 -7.305 -17.600 1.00 0.00 H new ATOM 0 HA ILE A 28 -2.865 -9.947 -16.310 1.00 0.00 H new ATOM 0 HB ILE A 28 -5.188 -9.430 -15.750 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -5.722 -6.817 -16.380 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -4.786 -7.275 -17.790 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -4.798 -7.420 -14.336 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -3.405 -8.526 -14.287 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -3.334 -7.050 -15.278 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -7.196 -7.737 -18.150 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -6.265 -9.254 -18.145 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -7.215 -8.789 -16.714 1.00 0.00 H new ATOM 456 N GLN A 29 -3.334 -9.778 -19.321 1.00 0.00 N ATOM 457 CA GLN A 29 -3.784 -10.417 -20.563 1.00 0.00 C ATOM 458 C GLN A 29 -4.074 -11.906 -20.346 1.00 0.00 C ATOM 459 O GLN A 29 -5.069 -12.436 -20.844 1.00 0.00 O ATOM 460 CB GLN A 29 -2.707 -10.267 -21.644 1.00 0.00 C ATOM 461 CG GLN A 29 -3.167 -10.938 -22.938 1.00 0.00 C ATOM 462 CD GLN A 29 -2.207 -10.578 -24.069 1.00 0.00 C ATOM 463 OE1 GLN A 29 -1.523 -11.448 -24.610 1.00 0.00 O ATOM 464 NE2 GLN A 29 -2.109 -9.335 -24.462 1.00 0.00 N ATOM 0 H GLN A 29 -2.499 -9.201 -19.425 1.00 0.00 H new ATOM 0 HA GLN A 29 -4.704 -9.925 -20.880 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -2.506 -9.211 -21.824 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -1.774 -10.716 -21.304 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -3.201 -12.020 -22.807 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -4.178 -10.615 -23.188 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -2.674 -8.613 -24.016 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -1.467 -9.087 -25.215 1.00 0.00 H new ATOM 473 N ASP A 30 -3.192 -12.568 -19.594 1.00 0.00 N ATOM 474 CA ASP A 30 -3.353 -13.997 -19.306 1.00 0.00 C ATOM 475 C ASP A 30 -3.704 -14.226 -17.828 1.00 0.00 C ATOM 476 O ASP A 30 -3.337 -15.246 -17.241 1.00 0.00 O ATOM 477 CB ASP A 30 -2.063 -14.753 -19.648 1.00 0.00 C ATOM 478 CG ASP A 30 -1.971 -14.952 -21.159 1.00 0.00 C ATOM 479 OD1 ASP A 30 -1.568 -14.019 -21.837 1.00 0.00 O ATOM 480 OD2 ASP A 30 -2.305 -16.033 -21.616 1.00 0.00 O ATOM 0 H ASP A 30 -2.365 -12.143 -19.176 1.00 0.00 H new ATOM 0 HA ASP A 30 -4.171 -14.373 -19.920 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -1.197 -14.195 -19.291 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -2.051 -15.719 -19.142 1.00 0.00 H new ATOM 485 N ALA A 31 -4.431 -13.270 -17.238 1.00 0.00 N ATOM 486 CA ALA A 31 -4.841 -13.377 -15.837 1.00 0.00 C ATOM 487 C ALA A 31 -6.285 -13.867 -15.746 1.00 0.00 C ATOM 488 O ALA A 31 -7.057 -13.746 -16.701 1.00 0.00 O ATOM 489 CB ALA A 31 -4.728 -12.021 -15.135 1.00 0.00 C ATOM 0 H ALA A 31 -4.745 -12.420 -17.707 1.00 0.00 H new ATOM 0 HA ALA A 31 -4.180 -14.091 -15.346 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -5.037 -12.123 -14.095 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -3.695 -11.676 -15.174 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -5.371 -11.297 -15.636 1.00 0.00 H new ATOM 495 N GLU A 32 -6.638 -14.427 -14.588 1.00 0.00 N ATOM 496 CA GLU A 32 -7.994 -14.943 -14.379 1.00 0.00 C ATOM 497 C GLU A 32 -8.612 -14.397 -13.083 1.00 0.00 C ATOM 498 O GLU A 32 -9.527 -15.003 -12.519 1.00 0.00 O ATOM 499 CB GLU A 32 -7.971 -16.475 -14.316 1.00 0.00 C ATOM 500 CG GLU A 32 -7.533 -17.039 -15.671 1.00 0.00 C ATOM 501 CD GLU A 32 -7.353 -18.549 -15.563 1.00 0.00 C ATOM 502 OE1 GLU A 32 -6.265 -18.974 -15.209 1.00 0.00 O ATOM 503 OE2 GLU A 32 -8.306 -19.261 -15.837 1.00 0.00 O ATOM 0 H GLU A 32 -6.013 -14.535 -13.789 1.00 0.00 H new ATOM 0 HA GLU A 32 -8.603 -14.613 -15.220 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -7.287 -16.807 -13.535 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -8.960 -16.853 -14.056 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -8.278 -16.805 -16.432 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -6.599 -16.573 -15.985 1.00 0.00 H new ATOM 510 N ASP A 33 -8.113 -13.245 -12.616 1.00 0.00 N ATOM 511 CA ASP A 33 -8.638 -12.642 -11.386 1.00 0.00 C ATOM 512 C ASP A 33 -8.530 -11.107 -11.407 1.00 0.00 C ATOM 513 O ASP A 33 -8.608 -10.462 -10.358 1.00 0.00 O ATOM 514 CB ASP A 33 -7.873 -13.179 -10.171 1.00 0.00 C ATOM 515 CG ASP A 33 -8.799 -13.224 -8.957 1.00 0.00 C ATOM 516 OD1 ASP A 33 -9.644 -14.104 -8.911 1.00 0.00 O ATOM 517 OD2 ASP A 33 -8.648 -12.378 -8.090 1.00 0.00 O ATOM 0 H ASP A 33 -7.360 -12.721 -13.062 1.00 0.00 H new ATOM 0 HA ASP A 33 -9.692 -12.910 -11.318 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -7.488 -14.176 -10.384 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -7.013 -12.543 -9.961 1.00 0.00 H new ATOM 522 N GLY A 34 -8.357 -10.524 -12.603 1.00 0.00 N ATOM 523 CA GLY A 34 -8.245 -9.068 -12.730 1.00 0.00 C ATOM 524 C GLY A 34 -7.116 -8.524 -11.853 1.00 0.00 C ATOM 525 O GLY A 34 -7.322 -7.600 -11.064 1.00 0.00 O ATOM 0 H GLY A 34 -8.293 -11.033 -13.484 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -8.060 -8.804 -13.771 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -9.188 -8.601 -12.445 1.00 0.00 H new ATOM 529 N CYS A 35 -5.925 -9.117 -11.998 1.00 0.00 N ATOM 530 CA CYS A 35 -4.756 -8.696 -11.215 1.00 0.00 C ATOM 531 C CYS A 35 -3.472 -8.927 -12.009 1.00 0.00 C ATOM 532 O CYS A 35 -3.323 -9.951 -12.681 1.00 0.00 O ATOM 533 CB CYS A 35 -4.659 -9.492 -9.908 1.00 0.00 C ATOM 534 SG CYS A 35 -6.161 -9.260 -8.924 1.00 0.00 S ATOM 0 H CYS A 35 -5.745 -9.884 -12.645 1.00 0.00 H new ATOM 0 HA CYS A 35 -4.876 -7.636 -10.993 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -4.519 -10.550 -10.127 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -3.788 -9.166 -9.339 1.00 0.00 H new ATOM 0 HG CYS A 35 -6.886 -8.321 -9.454 1.00 0.00 H new ATOM 540 N ILE A 36 -2.535 -7.977 -11.910 1.00 0.00 N ATOM 541 CA ILE A 36 -1.257 -8.112 -12.618 1.00 0.00 C ATOM 542 C ILE A 36 -0.268 -8.885 -11.746 1.00 0.00 C ATOM 543 O ILE A 36 -0.482 -9.051 -10.542 1.00 0.00 O ATOM 544 CB ILE A 36 -0.653 -6.739 -12.995 1.00 0.00 C ATOM 545 CG1 ILE A 36 0.025 -6.094 -11.775 1.00 0.00 C ATOM 546 CG2 ILE A 36 -1.748 -5.804 -13.524 1.00 0.00 C ATOM 547 CD1 ILE A 36 1.548 -6.237 -11.898 1.00 0.00 C ATOM 0 H ILE A 36 -2.633 -7.124 -11.359 1.00 0.00 H new ATOM 0 HA ILE A 36 -1.448 -8.654 -13.544 1.00 0.00 H new ATOM 0 HB ILE A 36 0.093 -6.898 -13.774 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -0.247 -5.041 -11.709 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -0.322 -6.571 -10.859 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -1.309 -4.841 -13.786 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -2.208 -6.246 -14.408 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -2.506 -5.660 -12.755 1.00 0.00 H new ATOM 0 HD11 ILE A 36 2.027 -5.779 -11.033 1.00 0.00 H new ATOM 0 HD12 ILE A 36 1.812 -7.294 -11.943 1.00 0.00 H new ATOM 0 HD13 ILE A 36 1.888 -5.740 -12.806 1.00 0.00 H new ATOM 559 N SER A 37 0.816 -9.353 -12.360 1.00 0.00 N ATOM 560 CA SER A 37 1.826 -10.103 -11.620 1.00 0.00 C ATOM 561 C SER A 37 2.821 -9.150 -10.964 1.00 0.00 C ATOM 562 O SER A 37 3.639 -8.525 -11.642 1.00 0.00 O ATOM 563 CB SER A 37 2.578 -11.058 -12.552 1.00 0.00 C ATOM 564 OG SER A 37 2.818 -12.282 -11.874 1.00 0.00 O ATOM 0 H SER A 37 1.016 -9.229 -13.353 1.00 0.00 H new ATOM 0 HA SER A 37 1.319 -10.682 -10.849 1.00 0.00 H new ATOM 0 HB2 SER A 37 1.995 -11.237 -13.455 1.00 0.00 H new ATOM 0 HB3 SER A 37 3.522 -10.611 -12.865 1.00 0.00 H new ATOM 0 HG SER A 37 2.388 -13.016 -12.361 1.00 0.00 H new ATOM 570 N THR A 38 2.744 -9.050 -9.631 1.00 0.00 N ATOM 571 CA THR A 38 3.655 -8.174 -8.881 1.00 0.00 C ATOM 572 C THR A 38 5.109 -8.575 -9.140 1.00 0.00 C ATOM 573 O THR A 38 5.996 -7.723 -9.216 1.00 0.00 O ATOM 574 CB THR A 38 3.371 -8.230 -7.372 1.00 0.00 C ATOM 575 OG1 THR A 38 4.384 -7.520 -6.674 1.00 0.00 O ATOM 576 CG2 THR A 38 3.342 -9.682 -6.883 1.00 0.00 C ATOM 0 H THR A 38 2.071 -9.556 -9.056 1.00 0.00 H new ATOM 0 HA THR A 38 3.489 -7.153 -9.226 1.00 0.00 H new ATOM 0 HB THR A 38 2.399 -7.775 -7.182 1.00 0.00 H new ATOM 0 HG1 THR A 38 4.749 -6.818 -7.252 1.00 0.00 H new ATOM 0 HG21 THR A 38 3.140 -9.701 -5.812 1.00 0.00 H new ATOM 0 HG22 THR A 38 2.560 -10.228 -7.410 1.00 0.00 H new ATOM 0 HG23 THR A 38 4.306 -10.151 -7.078 1.00 0.00 H new ATOM 584 N LYS A 39 5.337 -9.884 -9.291 1.00 0.00 N ATOM 585 CA LYS A 39 6.684 -10.392 -9.567 1.00 0.00 C ATOM 586 C LYS A 39 7.169 -9.903 -10.937 1.00 0.00 C ATOM 587 O LYS A 39 8.372 -9.768 -11.167 1.00 0.00 O ATOM 588 CB LYS A 39 6.706 -11.927 -9.534 1.00 0.00 C ATOM 589 CG LYS A 39 5.773 -12.496 -10.612 1.00 0.00 C ATOM 590 CD LYS A 39 5.014 -13.703 -10.053 1.00 0.00 C ATOM 591 CE LYS A 39 4.783 -14.723 -11.170 1.00 0.00 C ATOM 592 NZ LYS A 39 4.086 -15.921 -10.618 1.00 0.00 N ATOM 0 H LYS A 39 4.616 -10.603 -9.228 1.00 0.00 H new ATOM 0 HA LYS A 39 7.351 -10.013 -8.792 1.00 0.00 H new ATOM 0 HB2 LYS A 39 7.722 -12.287 -9.696 1.00 0.00 H new ATOM 0 HB3 LYS A 39 6.396 -12.281 -8.551 1.00 0.00 H new ATOM 0 HG2 LYS A 39 5.069 -11.731 -10.938 1.00 0.00 H new ATOM 0 HG3 LYS A 39 6.351 -12.791 -11.488 1.00 0.00 H new ATOM 0 HD2 LYS A 39 5.581 -14.159 -9.242 1.00 0.00 H new ATOM 0 HD3 LYS A 39 4.060 -13.384 -9.634 1.00 0.00 H new ATOM 0 HE2 LYS A 39 4.186 -14.277 -11.966 1.00 0.00 H new ATOM 0 HE3 LYS A 39 5.736 -15.015 -11.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 3.930 -16.613 -11.379 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 4.671 -16.351 -9.874 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 3.170 -15.635 -10.217 1.00 0.00 H new ATOM 606 N GLU A 40 6.215 -9.626 -11.839 1.00 0.00 N ATOM 607 CA GLU A 40 6.546 -9.136 -13.177 1.00 0.00 C ATOM 608 C GLU A 40 6.217 -7.641 -13.301 1.00 0.00 C ATOM 609 O GLU A 40 6.022 -7.127 -14.406 1.00 0.00 O ATOM 610 CB GLU A 40 5.758 -9.910 -14.242 1.00 0.00 C ATOM 611 CG GLU A 40 6.025 -11.412 -14.097 1.00 0.00 C ATOM 612 CD GLU A 40 6.012 -12.070 -15.474 1.00 0.00 C ATOM 613 OE1 GLU A 40 4.933 -12.411 -15.935 1.00 0.00 O ATOM 614 OE2 GLU A 40 7.080 -12.222 -16.046 1.00 0.00 O ATOM 0 H GLU A 40 5.216 -9.733 -11.664 1.00 0.00 H new ATOM 0 HA GLU A 40 7.614 -9.286 -13.334 1.00 0.00 H new ATOM 0 HB2 GLU A 40 4.692 -9.709 -14.136 1.00 0.00 H new ATOM 0 HB3 GLU A 40 6.048 -9.574 -15.238 1.00 0.00 H new ATOM 0 HG2 GLU A 40 6.988 -11.575 -13.614 1.00 0.00 H new ATOM 0 HG3 GLU A 40 5.267 -11.866 -13.459 1.00 0.00 H new ATOM 621 N LEU A 41 6.161 -6.945 -12.154 1.00 0.00 N ATOM 622 CA LEU A 41 5.858 -5.512 -12.148 1.00 0.00 C ATOM 623 C LEU A 41 7.047 -4.677 -12.645 1.00 0.00 C ATOM 624 O LEU A 41 6.905 -3.478 -12.885 1.00 0.00 O ATOM 625 CB LEU A 41 5.469 -5.043 -10.743 1.00 0.00 C ATOM 626 CG LEU A 41 4.314 -4.038 -10.692 1.00 0.00 C ATOM 627 CD1 LEU A 41 3.387 -4.383 -9.527 1.00 0.00 C ATOM 628 CD2 LEU A 41 4.872 -2.625 -10.501 1.00 0.00 C ATOM 0 H LEU A 41 6.320 -7.349 -11.231 1.00 0.00 H new ATOM 0 HA LEU A 41 5.019 -5.364 -12.828 1.00 0.00 H new ATOM 0 HB2 LEU A 41 5.199 -5.915 -10.147 1.00 0.00 H new ATOM 0 HB3 LEU A 41 6.343 -4.593 -10.272 1.00 0.00 H new ATOM 0 HG LEU A 41 3.754 -4.083 -11.626 1.00 0.00 H new ATOM 0 HD11 LEU A 41 2.566 -3.667 -9.491 1.00 0.00 H new ATOM 0 HD12 LEU A 41 2.987 -5.388 -9.665 1.00 0.00 H new ATOM 0 HD13 LEU A 41 3.946 -4.340 -8.592 1.00 0.00 H new ATOM 0 HD21 LEU A 41 4.049 -1.911 -10.465 1.00 0.00 H new ATOM 0 HD22 LEU A 41 5.434 -2.579 -9.568 1.00 0.00 H new ATOM 0 HD23 LEU A 41 5.530 -2.378 -11.334 1.00 0.00 H new ATOM 640 N GLY A 42 8.217 -5.317 -12.813 1.00 0.00 N ATOM 641 CA GLY A 42 9.403 -4.608 -13.303 1.00 0.00 C ATOM 642 C GLY A 42 9.136 -4.001 -14.683 1.00 0.00 C ATOM 643 O GLY A 42 9.630 -2.919 -15.005 1.00 0.00 O ATOM 0 H GLY A 42 8.362 -6.308 -12.619 1.00 0.00 H new ATOM 0 HA2 GLY A 42 9.679 -3.821 -12.601 1.00 0.00 H new ATOM 0 HA3 GLY A 42 10.247 -5.295 -13.359 1.00 0.00 H new ATOM 647 N LYS A 43 8.329 -4.709 -15.486 1.00 0.00 N ATOM 648 CA LYS A 43 7.973 -4.238 -16.830 1.00 0.00 C ATOM 649 C LYS A 43 7.053 -3.010 -16.751 1.00 0.00 C ATOM 650 O LYS A 43 6.942 -2.245 -17.712 1.00 0.00 O ATOM 651 CB LYS A 43 7.254 -5.340 -17.620 1.00 0.00 C ATOM 652 CG LYS A 43 8.103 -6.618 -17.640 1.00 0.00 C ATOM 653 CD LYS A 43 9.256 -6.457 -18.633 1.00 0.00 C ATOM 654 CE LYS A 43 10.333 -7.508 -18.345 1.00 0.00 C ATOM 655 NZ LYS A 43 11.123 -7.103 -17.146 1.00 0.00 N ATOM 0 H LYS A 43 7.913 -5.604 -15.229 1.00 0.00 H new ATOM 0 HA LYS A 43 8.899 -3.969 -17.338 1.00 0.00 H new ATOM 0 HB2 LYS A 43 6.283 -5.547 -17.169 1.00 0.00 H new ATOM 0 HB3 LYS A 43 7.067 -5.003 -18.640 1.00 0.00 H new ATOM 0 HG2 LYS A 43 8.495 -6.821 -16.643 1.00 0.00 H new ATOM 0 HG3 LYS A 43 7.486 -7.472 -17.920 1.00 0.00 H new ATOM 0 HD2 LYS A 43 8.889 -6.568 -19.653 1.00 0.00 H new ATOM 0 HD3 LYS A 43 9.680 -5.456 -18.554 1.00 0.00 H new ATOM 0 HE2 LYS A 43 9.870 -8.480 -18.176 1.00 0.00 H new ATOM 0 HE3 LYS A 43 10.991 -7.614 -19.207 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 12.012 -7.641 -17.118 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 11.335 -6.086 -17.197 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 10.573 -7.299 -16.285 1.00 0.00 H new ATOM 669 N VAL A 44 6.405 -2.827 -15.594 1.00 0.00 N ATOM 670 CA VAL A 44 5.508 -1.688 -15.388 1.00 0.00 C ATOM 671 C VAL A 44 6.296 -0.516 -14.821 1.00 0.00 C ATOM 672 O VAL A 44 6.105 0.627 -15.229 1.00 0.00 O ATOM 673 CB VAL A 44 4.369 -2.017 -14.408 1.00 0.00 C ATOM 674 CG1 VAL A 44 3.144 -1.176 -14.767 1.00 0.00 C ATOM 675 CG2 VAL A 44 4.003 -3.506 -14.476 1.00 0.00 C ATOM 0 H VAL A 44 6.486 -3.451 -14.791 1.00 0.00 H new ATOM 0 HA VAL A 44 5.073 -1.441 -16.357 1.00 0.00 H new ATOM 0 HB VAL A 44 4.700 -1.789 -13.395 1.00 0.00 H new ATOM 0 HG11 VAL A 44 2.332 -1.403 -14.077 1.00 0.00 H new ATOM 0 HG12 VAL A 44 3.395 -0.118 -14.696 1.00 0.00 H new ATOM 0 HG13 VAL A 44 2.830 -1.406 -15.785 1.00 0.00 H new ATOM 0 HG21 VAL A 44 3.195 -3.715 -13.774 1.00 0.00 H new ATOM 0 HG22 VAL A 44 3.679 -3.755 -15.486 1.00 0.00 H new ATOM 0 HG23 VAL A 44 4.874 -4.107 -14.216 1.00 0.00 H new ATOM 685 N MET A 45 7.187 -0.823 -13.872 1.00 0.00 N ATOM 686 CA MET A 45 8.017 0.204 -13.242 1.00 0.00 C ATOM 687 C MET A 45 8.747 1.019 -14.306 1.00 0.00 C ATOM 688 O MET A 45 8.787 2.249 -14.240 1.00 0.00 O ATOM 689 CB MET A 45 9.048 -0.440 -12.306 1.00 0.00 C ATOM 690 CG MET A 45 8.879 0.118 -10.891 1.00 0.00 C ATOM 691 SD MET A 45 7.861 -1.013 -9.914 1.00 0.00 S ATOM 692 CE MET A 45 6.427 0.075 -9.730 1.00 0.00 C ATOM 0 H MET A 45 7.350 -1.769 -13.526 1.00 0.00 H new ATOM 0 HA MET A 45 7.366 0.860 -12.664 1.00 0.00 H new ATOM 0 HB2 MET A 45 8.920 -1.522 -12.298 1.00 0.00 H new ATOM 0 HB3 MET A 45 10.057 -0.241 -12.668 1.00 0.00 H new ATOM 0 HG2 MET A 45 9.854 0.246 -10.420 1.00 0.00 H new ATOM 0 HG3 MET A 45 8.413 1.102 -10.930 1.00 0.00 H new ATOM 0 HE1 MET A 45 5.893 -0.178 -8.814 1.00 0.00 H new ATOM 0 HE2 MET A 45 6.761 1.112 -9.681 1.00 0.00 H new ATOM 0 HE3 MET A 45 5.762 -0.052 -10.584 1.00 0.00 H new ATOM 702 N ARG A 46 9.310 0.318 -15.298 1.00 0.00 N ATOM 703 CA ARG A 46 10.029 0.992 -16.387 1.00 0.00 C ATOM 704 C ARG A 46 9.072 1.870 -17.206 1.00 0.00 C ATOM 705 O ARG A 46 9.464 2.915 -17.726 1.00 0.00 O ATOM 706 CB ARG A 46 10.709 -0.028 -17.313 1.00 0.00 C ATOM 707 CG ARG A 46 9.665 -0.962 -17.939 1.00 0.00 C ATOM 708 CD ARG A 46 10.337 -1.864 -18.979 1.00 0.00 C ATOM 709 NE ARG A 46 10.786 -1.084 -20.137 1.00 0.00 N ATOM 710 CZ ARG A 46 11.591 -1.610 -21.071 1.00 0.00 C ATOM 711 NH1 ARG A 46 11.993 -2.857 -20.986 1.00 0.00 N ATOM 712 NH2 ARG A 46 11.980 -0.874 -22.082 1.00 0.00 N ATOM 0 H ARG A 46 9.283 -0.699 -15.370 1.00 0.00 H new ATOM 0 HA ARG A 46 10.795 1.622 -15.936 1.00 0.00 H new ATOM 0 HB2 ARG A 46 11.257 0.493 -18.098 1.00 0.00 H new ATOM 0 HB3 ARG A 46 11.437 -0.612 -16.749 1.00 0.00 H new ATOM 0 HG2 ARG A 46 9.196 -1.570 -17.165 1.00 0.00 H new ATOM 0 HG3 ARG A 46 8.874 -0.377 -18.408 1.00 0.00 H new ATOM 0 HD2 ARG A 46 11.188 -2.375 -18.528 1.00 0.00 H new ATOM 0 HD3 ARG A 46 9.638 -2.635 -19.304 1.00 0.00 H new ATOM 0 HE ARG A 46 10.478 -0.117 -20.234 1.00 0.00 H new ATOM 0 HH11 ARG A 46 11.693 -3.437 -20.203 1.00 0.00 H new ATOM 0 HH12 ARG A 46 12.605 -3.245 -21.703 1.00 0.00 H new ATOM 0 HH21 ARG A 46 11.670 0.095 -22.156 1.00 0.00 H new ATOM 0 HH22 ARG A 46 12.593 -1.270 -22.795 1.00 0.00 H new ATOM 726 N MET A 47 7.810 1.434 -17.303 1.00 0.00 N ATOM 727 CA MET A 47 6.792 2.183 -18.046 1.00 0.00 C ATOM 728 C MET A 47 6.270 3.367 -17.223 1.00 0.00 C ATOM 729 O MET A 47 5.835 4.376 -17.781 1.00 0.00 O ATOM 730 CB MET A 47 5.613 1.272 -18.400 1.00 0.00 C ATOM 731 CG MET A 47 5.998 0.358 -19.566 1.00 0.00 C ATOM 732 SD MET A 47 5.568 1.160 -21.132 1.00 0.00 S ATOM 733 CE MET A 47 7.213 1.806 -21.525 1.00 0.00 C ATOM 0 H MET A 47 7.472 0.571 -16.878 1.00 0.00 H new ATOM 0 HA MET A 47 7.259 2.557 -18.957 1.00 0.00 H new ATOM 0 HB2 MET A 47 5.331 0.673 -17.534 1.00 0.00 H new ATOM 0 HB3 MET A 47 4.744 1.873 -18.668 1.00 0.00 H new ATOM 0 HG2 MET A 47 7.066 0.144 -19.536 1.00 0.00 H new ATOM 0 HG3 MET A 47 5.479 -0.597 -19.480 1.00 0.00 H new ATOM 0 HE1 MET A 47 7.220 2.888 -21.392 1.00 0.00 H new ATOM 0 HE2 MET A 47 7.950 1.354 -20.861 1.00 0.00 H new ATOM 0 HE3 MET A 47 7.461 1.566 -22.559 1.00 0.00 H new ATOM 743 N LEU A 48 6.324 3.236 -15.891 1.00 0.00 N ATOM 744 CA LEU A 48 5.860 4.300 -14.996 1.00 0.00 C ATOM 745 C LEU A 48 6.888 5.431 -14.945 1.00 0.00 C ATOM 746 O LEU A 48 6.539 6.596 -14.751 1.00 0.00 O ATOM 747 CB LEU A 48 5.646 3.751 -13.580 1.00 0.00 C ATOM 748 CG LEU A 48 4.228 3.253 -13.268 1.00 0.00 C ATOM 749 CD1 LEU A 48 3.785 2.239 -14.327 1.00 0.00 C ATOM 750 CD2 LEU A 48 4.218 2.578 -11.892 1.00 0.00 C ATOM 0 H LEU A 48 6.682 2.409 -15.413 1.00 0.00 H new ATOM 0 HA LEU A 48 4.915 4.683 -15.381 1.00 0.00 H new ATOM 0 HB2 LEU A 48 6.344 2.929 -13.419 1.00 0.00 H new ATOM 0 HB3 LEU A 48 5.903 4.532 -12.864 1.00 0.00 H new ATOM 0 HG LEU A 48 3.543 4.101 -13.271 1.00 0.00 H new ATOM 0 HD11 LEU A 48 2.778 1.891 -14.098 1.00 0.00 H new ATOM 0 HD12 LEU A 48 3.791 2.712 -15.309 1.00 0.00 H new ATOM 0 HD13 LEU A 48 4.470 1.392 -14.329 1.00 0.00 H new ATOM 0 HD21 LEU A 48 3.212 2.223 -11.668 1.00 0.00 H new ATOM 0 HD22 LEU A 48 4.908 1.734 -11.896 1.00 0.00 H new ATOM 0 HD23 LEU A 48 4.527 3.296 -11.132 1.00 0.00 H new ATOM 762 N GLY A 49 8.159 5.065 -15.129 1.00 0.00 N ATOM 763 CA GLY A 49 9.249 6.043 -15.115 1.00 0.00 C ATOM 764 C GLY A 49 10.193 5.817 -13.932 1.00 0.00 C ATOM 765 O GLY A 49 10.723 6.772 -13.362 1.00 0.00 O ATOM 0 H GLY A 49 8.458 4.103 -15.289 1.00 0.00 H new ATOM 0 HA2 GLY A 49 9.810 5.977 -16.047 1.00 0.00 H new ATOM 0 HA3 GLY A 49 8.835 7.050 -15.064 1.00 0.00 H new ATOM 769 N GLN A 50 10.403 4.545 -13.571 1.00 0.00 N ATOM 770 CA GLN A 50 11.295 4.213 -12.454 1.00 0.00 C ATOM 771 C GLN A 50 11.853 2.796 -12.607 1.00 0.00 C ATOM 772 O GLN A 50 11.115 1.851 -12.887 1.00 0.00 O ATOM 773 CB GLN A 50 10.556 4.327 -11.110 1.00 0.00 C ATOM 774 CG GLN A 50 9.292 3.456 -11.122 1.00 0.00 C ATOM 775 CD GLN A 50 8.091 4.282 -10.667 1.00 0.00 C ATOM 776 OE1 GLN A 50 7.517 4.022 -9.609 1.00 0.00 O ATOM 777 NE2 GLN A 50 7.670 5.271 -11.409 1.00 0.00 N ATOM 0 H GLN A 50 9.975 3.740 -14.028 1.00 0.00 H new ATOM 0 HA GLN A 50 12.120 4.926 -12.469 1.00 0.00 H new ATOM 0 HB2 GLN A 50 11.213 4.015 -10.298 1.00 0.00 H new ATOM 0 HB3 GLN A 50 10.288 5.367 -10.922 1.00 0.00 H new ATOM 0 HG2 GLN A 50 9.118 3.066 -12.125 1.00 0.00 H new ATOM 0 HG3 GLN A 50 9.425 2.597 -10.464 1.00 0.00 H new ATOM 0 HE21 GLN A 50 8.144 5.488 -12.286 1.00 0.00 H new ATOM 0 HE22 GLN A 50 6.868 5.826 -11.112 1.00 0.00 H new ATOM 786 N ASN A 51 13.168 2.660 -12.425 1.00 0.00 N ATOM 787 CA ASN A 51 13.818 1.354 -12.549 1.00 0.00 C ATOM 788 C ASN A 51 14.579 1.003 -11.265 1.00 0.00 C ATOM 789 O ASN A 51 15.775 1.277 -11.140 1.00 0.00 O ATOM 790 CB ASN A 51 14.788 1.353 -13.738 1.00 0.00 C ATOM 791 CG ASN A 51 14.844 -0.043 -14.354 1.00 0.00 C ATOM 792 OD1 ASN A 51 15.819 -0.770 -14.170 1.00 0.00 O ATOM 793 ND2 ASN A 51 13.843 -0.466 -15.081 1.00 0.00 N ATOM 0 H ASN A 51 13.798 3.428 -12.194 1.00 0.00 H new ATOM 0 HA ASN A 51 13.044 0.605 -12.716 1.00 0.00 H new ATOM 0 HB2 ASN A 51 14.464 2.078 -14.485 1.00 0.00 H new ATOM 0 HB3 ASN A 51 15.782 1.656 -13.409 1.00 0.00 H new ATOM 0 HD21 ASN A 51 13.871 -1.398 -15.495 1.00 0.00 H new ATOM 0 HD22 ASN A 51 13.034 0.136 -15.234 1.00 0.00 H new ATOM 800 N PRO A 52 13.884 0.391 -10.296 1.00 0.00 N ATOM 801 CA PRO A 52 14.491 -0.004 -9.009 1.00 0.00 C ATOM 802 C PRO A 52 15.216 -1.354 -9.089 1.00 0.00 C ATOM 803 O PRO A 52 15.566 -1.821 -10.175 1.00 0.00 O ATOM 804 CB PRO A 52 13.267 -0.093 -8.100 1.00 0.00 C ATOM 805 CG PRO A 52 12.063 -0.349 -8.994 1.00 0.00 C ATOM 806 CD PRO A 52 12.450 0.058 -10.420 1.00 0.00 C ATOM 0 HA PRO A 52 15.258 0.691 -8.668 1.00 0.00 H new ATOM 0 HB2 PRO A 52 13.385 -0.897 -7.373 1.00 0.00 H new ATOM 0 HB3 PRO A 52 13.138 0.831 -7.536 1.00 0.00 H new ATOM 0 HG2 PRO A 52 11.777 -1.400 -8.960 1.00 0.00 H new ATOM 0 HG3 PRO A 52 11.203 0.226 -8.652 1.00 0.00 H new ATOM 0 HD2 PRO A 52 12.284 -0.753 -11.130 1.00 0.00 H new ATOM 0 HD3 PRO A 52 11.867 0.911 -10.768 1.00 0.00 H new ATOM 814 N THR A 53 15.423 -1.973 -7.926 1.00 0.00 N ATOM 815 CA THR A 53 16.094 -3.275 -7.856 1.00 0.00 C ATOM 816 C THR A 53 15.038 -4.374 -7.678 1.00 0.00 C ATOM 817 O THR A 53 13.851 -4.072 -7.540 1.00 0.00 O ATOM 818 CB THR A 53 17.090 -3.299 -6.675 1.00 0.00 C ATOM 819 OG1 THR A 53 16.405 -3.617 -5.470 1.00 0.00 O ATOM 820 CG2 THR A 53 17.763 -1.932 -6.526 1.00 0.00 C ATOM 0 H THR A 53 15.138 -1.597 -7.022 1.00 0.00 H new ATOM 0 HA THR A 53 16.649 -3.448 -8.778 1.00 0.00 H new ATOM 0 HB THR A 53 17.849 -4.056 -6.874 1.00 0.00 H new ATOM 0 HG1 THR A 53 17.042 -3.632 -4.726 1.00 0.00 H new ATOM 0 HG21 THR A 53 18.463 -1.960 -5.691 1.00 0.00 H new ATOM 0 HG22 THR A 53 18.301 -1.690 -7.442 1.00 0.00 H new ATOM 0 HG23 THR A 53 17.005 -1.172 -6.339 1.00 0.00 H new ATOM 828 N PRO A 54 15.437 -5.655 -7.661 1.00 0.00 N ATOM 829 CA PRO A 54 14.476 -6.762 -7.478 1.00 0.00 C ATOM 830 C PRO A 54 13.991 -6.870 -6.030 1.00 0.00 C ATOM 831 O PRO A 54 12.886 -7.351 -5.768 1.00 0.00 O ATOM 832 CB PRO A 54 15.285 -7.982 -7.903 1.00 0.00 C ATOM 833 CG PRO A 54 16.754 -7.615 -7.748 1.00 0.00 C ATOM 834 CD PRO A 54 16.847 -6.086 -7.811 1.00 0.00 C ATOM 0 HA PRO A 54 13.560 -6.633 -8.054 1.00 0.00 H new ATOM 0 HB2 PRO A 54 15.035 -8.845 -7.286 1.00 0.00 H new ATOM 0 HB3 PRO A 54 15.062 -8.253 -8.935 1.00 0.00 H new ATOM 0 HG2 PRO A 54 17.146 -7.986 -6.801 1.00 0.00 H new ATOM 0 HG3 PRO A 54 17.350 -8.070 -8.539 1.00 0.00 H new ATOM 0 HD2 PRO A 54 17.477 -5.688 -7.015 1.00 0.00 H new ATOM 0 HD3 PRO A 54 17.274 -5.747 -8.755 1.00 0.00 H new ATOM 842 N GLU A 55 14.820 -6.388 -5.097 1.00 0.00 N ATOM 843 CA GLU A 55 14.461 -6.403 -3.681 1.00 0.00 C ATOM 844 C GLU A 55 13.525 -5.231 -3.374 1.00 0.00 C ATOM 845 O GLU A 55 12.574 -5.368 -2.603 1.00 0.00 O ATOM 846 CB GLU A 55 15.712 -6.290 -2.803 1.00 0.00 C ATOM 847 CG GLU A 55 16.545 -7.569 -2.929 1.00 0.00 C ATOM 848 CD GLU A 55 17.670 -7.552 -1.898 1.00 0.00 C ATOM 849 OE1 GLU A 55 17.430 -7.982 -0.780 1.00 0.00 O ATOM 850 OE2 GLU A 55 18.755 -7.110 -2.241 1.00 0.00 O ATOM 0 H GLU A 55 15.736 -5.987 -5.298 1.00 0.00 H new ATOM 0 HA GLU A 55 13.960 -7.347 -3.463 1.00 0.00 H new ATOM 0 HB2 GLU A 55 16.305 -5.427 -3.106 1.00 0.00 H new ATOM 0 HB3 GLU A 55 15.426 -6.131 -1.763 1.00 0.00 H new ATOM 0 HG2 GLU A 55 15.912 -8.443 -2.777 1.00 0.00 H new ATOM 0 HG3 GLU A 55 16.960 -7.647 -3.934 1.00 0.00 H new ATOM 857 N GLU A 56 13.805 -4.078 -3.999 1.00 0.00 N ATOM 858 CA GLU A 56 12.985 -2.881 -3.801 1.00 0.00 C ATOM 859 C GLU A 56 11.685 -2.967 -4.607 1.00 0.00 C ATOM 860 O GLU A 56 10.650 -2.453 -4.181 1.00 0.00 O ATOM 861 CB GLU A 56 13.757 -1.629 -4.231 1.00 0.00 C ATOM 862 CG GLU A 56 13.093 -0.383 -3.638 1.00 0.00 C ATOM 863 CD GLU A 56 13.921 0.850 -3.984 1.00 0.00 C ATOM 864 OE1 GLU A 56 13.778 1.345 -5.092 1.00 0.00 O ATOM 865 OE2 GLU A 56 14.685 1.285 -3.136 1.00 0.00 O ATOM 0 H GLU A 56 14.588 -3.952 -4.641 1.00 0.00 H new ATOM 0 HA GLU A 56 12.743 -2.817 -2.740 1.00 0.00 H new ATOM 0 HB2 GLU A 56 14.792 -1.695 -3.896 1.00 0.00 H new ATOM 0 HB3 GLU A 56 13.778 -1.559 -5.319 1.00 0.00 H new ATOM 0 HG2 GLU A 56 12.081 -0.276 -4.030 1.00 0.00 H new ATOM 0 HG3 GLU A 56 13.007 -0.484 -2.556 1.00 0.00 H new ATOM 872 N LEU A 57 11.748 -3.629 -5.770 1.00 0.00 N ATOM 873 CA LEU A 57 10.576 -3.790 -6.627 1.00 0.00 C ATOM 874 C LEU A 57 9.476 -4.539 -5.871 1.00 0.00 C ATOM 875 O LEU A 57 8.311 -4.144 -5.892 1.00 0.00 O ATOM 876 CB LEU A 57 10.979 -4.559 -7.898 1.00 0.00 C ATOM 877 CG LEU A 57 9.860 -5.264 -8.675 1.00 0.00 C ATOM 878 CD1 LEU A 57 9.469 -6.559 -7.960 1.00 0.00 C ATOM 879 CD2 LEU A 57 8.641 -4.344 -8.798 1.00 0.00 C ATOM 0 H LEU A 57 12.598 -4.059 -6.134 1.00 0.00 H new ATOM 0 HA LEU A 57 10.191 -2.811 -6.911 1.00 0.00 H new ATOM 0 HB2 LEU A 57 11.471 -3.860 -8.574 1.00 0.00 H new ATOM 0 HB3 LEU A 57 11.720 -5.308 -7.619 1.00 0.00 H new ATOM 0 HG LEU A 57 10.220 -5.503 -9.676 1.00 0.00 H new ATOM 0 HD11 LEU A 57 8.674 -7.056 -8.516 1.00 0.00 H new ATOM 0 HD12 LEU A 57 10.336 -7.217 -7.900 1.00 0.00 H new ATOM 0 HD13 LEU A 57 9.119 -6.328 -6.954 1.00 0.00 H new ATOM 0 HD21 LEU A 57 7.853 -4.856 -9.351 1.00 0.00 H new ATOM 0 HD22 LEU A 57 8.277 -4.087 -7.803 1.00 0.00 H new ATOM 0 HD23 LEU A 57 8.924 -3.434 -9.327 1.00 0.00 H new ATOM 891 N GLN A 58 9.866 -5.623 -5.200 1.00 0.00 N ATOM 892 CA GLN A 58 8.911 -6.424 -4.432 1.00 0.00 C ATOM 893 C GLN A 58 8.535 -5.721 -3.122 1.00 0.00 C ATOM 894 O GLN A 58 7.402 -5.837 -2.652 1.00 0.00 O ATOM 895 CB GLN A 58 9.507 -7.801 -4.114 1.00 0.00 C ATOM 896 CG GLN A 58 8.424 -8.722 -3.542 1.00 0.00 C ATOM 897 CD GLN A 58 7.488 -9.173 -4.661 1.00 0.00 C ATOM 898 OE1 GLN A 58 7.852 -10.013 -5.483 1.00 0.00 O ATOM 899 NE2 GLN A 58 6.292 -8.659 -4.741 1.00 0.00 N ATOM 0 H GLN A 58 10.827 -5.965 -5.172 1.00 0.00 H new ATOM 0 HA GLN A 58 8.013 -6.546 -5.038 1.00 0.00 H new ATOM 0 HB2 GLN A 58 9.930 -8.241 -5.017 1.00 0.00 H new ATOM 0 HB3 GLN A 58 10.323 -7.697 -3.398 1.00 0.00 H new ATOM 0 HG2 GLN A 58 8.884 -9.589 -3.068 1.00 0.00 H new ATOM 0 HG3 GLN A 58 7.859 -8.199 -2.771 1.00 0.00 H new ATOM 0 HE21 GLN A 58 5.990 -7.963 -4.060 1.00 0.00 H new ATOM 0 HE22 GLN A 58 5.659 -8.953 -5.485 1.00 0.00 H new ATOM 908 N GLU A 59 9.496 -4.995 -2.539 1.00 0.00 N ATOM 909 CA GLU A 59 9.258 -4.282 -1.279 1.00 0.00 C ATOM 910 C GLU A 59 8.233 -3.157 -1.456 1.00 0.00 C ATOM 911 O GLU A 59 7.344 -2.985 -0.621 1.00 0.00 O ATOM 912 CB GLU A 59 10.561 -3.676 -0.750 1.00 0.00 C ATOM 913 CG GLU A 59 11.237 -4.662 0.208 1.00 0.00 C ATOM 914 CD GLU A 59 12.568 -4.082 0.679 1.00 0.00 C ATOM 915 OE1 GLU A 59 12.566 -3.382 1.681 1.00 0.00 O ATOM 916 OE2 GLU A 59 13.570 -4.346 0.032 1.00 0.00 O ATOM 0 H GLU A 59 10.438 -4.886 -2.916 1.00 0.00 H new ATOM 0 HA GLU A 59 8.869 -5.010 -0.568 1.00 0.00 H new ATOM 0 HB2 GLU A 59 11.229 -3.444 -1.580 1.00 0.00 H new ATOM 0 HB3 GLU A 59 10.354 -2.738 -0.235 1.00 0.00 H new ATOM 0 HG2 GLU A 59 10.590 -4.856 1.063 1.00 0.00 H new ATOM 0 HG3 GLU A 59 11.401 -5.617 -0.292 1.00 0.00 H new ATOM 923 N MET A 60 8.374 -2.386 -2.541 1.00 0.00 N ATOM 924 CA MET A 60 7.458 -1.269 -2.797 1.00 0.00 C ATOM 925 C MET A 60 6.039 -1.762 -3.095 1.00 0.00 C ATOM 926 O MET A 60 5.062 -1.085 -2.767 1.00 0.00 O ATOM 927 CB MET A 60 7.957 -0.396 -3.959 1.00 0.00 C ATOM 928 CG MET A 60 7.932 -1.186 -5.271 1.00 0.00 C ATOM 929 SD MET A 60 8.660 -0.185 -6.592 1.00 0.00 S ATOM 930 CE MET A 60 7.337 1.047 -6.704 1.00 0.00 C ATOM 0 H MET A 60 9.101 -2.512 -3.245 1.00 0.00 H new ATOM 0 HA MET A 60 7.432 -0.666 -1.889 1.00 0.00 H new ATOM 0 HB2 MET A 60 7.331 0.492 -4.050 1.00 0.00 H new ATOM 0 HB3 MET A 60 8.971 -0.052 -3.754 1.00 0.00 H new ATOM 0 HG2 MET A 60 8.487 -2.117 -5.158 1.00 0.00 H new ATOM 0 HG3 MET A 60 6.907 -1.455 -5.527 1.00 0.00 H new ATOM 0 HE1 MET A 60 7.443 1.611 -7.630 1.00 0.00 H new ATOM 0 HE2 MET A 60 6.370 0.544 -6.694 1.00 0.00 H new ATOM 0 HE3 MET A 60 7.401 1.728 -5.855 1.00 0.00 H new ATOM 940 N ILE A 61 5.929 -2.946 -3.706 1.00 0.00 N ATOM 941 CA ILE A 61 4.612 -3.500 -4.018 1.00 0.00 C ATOM 942 C ILE A 61 3.977 -4.080 -2.757 1.00 0.00 C ATOM 943 O ILE A 61 2.817 -3.811 -2.460 1.00 0.00 O ATOM 944 CB ILE A 61 4.701 -4.594 -5.087 1.00 0.00 C ATOM 945 CG1 ILE A 61 5.226 -3.998 -6.402 1.00 0.00 C ATOM 946 CG2 ILE A 61 3.310 -5.193 -5.314 1.00 0.00 C ATOM 947 CD1 ILE A 61 4.334 -2.834 -6.847 1.00 0.00 C ATOM 0 H ILE A 61 6.718 -3.527 -3.988 1.00 0.00 H new ATOM 0 HA ILE A 61 3.996 -2.688 -4.406 1.00 0.00 H new ATOM 0 HB ILE A 61 5.386 -5.373 -4.751 1.00 0.00 H new ATOM 0 HG12 ILE A 61 6.251 -3.651 -6.269 1.00 0.00 H new ATOM 0 HG13 ILE A 61 5.247 -4.766 -7.175 1.00 0.00 H new ATOM 0 HG21 ILE A 61 3.369 -5.972 -6.074 1.00 0.00 H new ATOM 0 HG22 ILE A 61 2.942 -5.622 -4.382 1.00 0.00 H new ATOM 0 HG23 ILE A 61 2.627 -4.411 -5.648 1.00 0.00 H new ATOM 0 HD11 ILE A 61 4.716 -2.419 -7.780 1.00 0.00 H new ATOM 0 HD12 ILE A 61 3.316 -3.193 -6.999 1.00 0.00 H new ATOM 0 HD13 ILE A 61 4.335 -2.061 -6.079 1.00 0.00 H new ATOM 959 N ASP A 62 4.756 -4.875 -2.018 1.00 0.00 N ATOM 960 CA ASP A 62 4.267 -5.485 -0.777 1.00 0.00 C ATOM 961 C ASP A 62 3.651 -4.425 0.145 1.00 0.00 C ATOM 962 O ASP A 62 2.679 -4.696 0.852 1.00 0.00 O ATOM 963 CB ASP A 62 5.409 -6.186 -0.033 1.00 0.00 C ATOM 964 CG ASP A 62 4.868 -7.422 0.681 1.00 0.00 C ATOM 965 OD1 ASP A 62 4.413 -7.282 1.805 1.00 0.00 O ATOM 966 OD2 ASP A 62 4.917 -8.490 0.093 1.00 0.00 O ATOM 0 H ASP A 62 5.720 -5.110 -2.254 1.00 0.00 H new ATOM 0 HA ASP A 62 3.505 -6.216 -1.048 1.00 0.00 H new ATOM 0 HB2 ASP A 62 6.193 -6.472 -0.734 1.00 0.00 H new ATOM 0 HB3 ASP A 62 5.860 -5.504 0.688 1.00 0.00 H new ATOM 971 N GLU A 63 4.227 -3.216 0.124 1.00 0.00 N ATOM 972 CA GLU A 63 3.727 -2.117 0.956 1.00 0.00 C ATOM 973 C GLU A 63 2.325 -1.694 0.511 1.00 0.00 C ATOM 974 O GLU A 63 1.398 -1.641 1.322 1.00 0.00 O ATOM 975 CB GLU A 63 4.663 -0.907 0.872 1.00 0.00 C ATOM 976 CG GLU A 63 5.891 -1.141 1.756 1.00 0.00 C ATOM 977 CD GLU A 63 6.539 0.198 2.092 1.00 0.00 C ATOM 978 OE1 GLU A 63 7.359 0.651 1.308 1.00 0.00 O ATOM 979 OE2 GLU A 63 6.207 0.752 3.128 1.00 0.00 O ATOM 0 H GLU A 63 5.032 -2.977 -0.455 1.00 0.00 H new ATOM 0 HA GLU A 63 3.687 -2.474 1.985 1.00 0.00 H new ATOM 0 HB2 GLU A 63 4.972 -0.745 -0.161 1.00 0.00 H new ATOM 0 HB3 GLU A 63 4.139 -0.007 1.192 1.00 0.00 H new ATOM 0 HG2 GLU A 63 5.600 -1.656 2.672 1.00 0.00 H new ATOM 0 HG3 GLU A 63 6.605 -1.784 1.242 1.00 0.00 H new ATOM 986 N VAL A 64 2.178 -1.397 -0.786 1.00 0.00 N ATOM 987 CA VAL A 64 0.877 -0.980 -1.330 1.00 0.00 C ATOM 988 C VAL A 64 -0.126 -2.144 -1.311 1.00 0.00 C ATOM 989 O VAL A 64 -1.334 -1.928 -1.185 1.00 0.00 O ATOM 990 CB VAL A 64 1.027 -0.440 -2.767 1.00 0.00 C ATOM 991 CG1 VAL A 64 1.615 -1.516 -3.683 1.00 0.00 C ATOM 992 CG2 VAL A 64 -0.343 -0.012 -3.306 1.00 0.00 C ATOM 0 H VAL A 64 2.932 -1.436 -1.472 1.00 0.00 H new ATOM 0 HA VAL A 64 0.496 -0.181 -0.694 1.00 0.00 H new ATOM 0 HB VAL A 64 1.699 0.418 -2.747 1.00 0.00 H new ATOM 0 HG11 VAL A 64 1.714 -1.119 -4.693 1.00 0.00 H new ATOM 0 HG12 VAL A 64 2.596 -1.814 -3.312 1.00 0.00 H new ATOM 0 HG13 VAL A 64 0.954 -2.383 -3.697 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -0.232 0.369 -4.321 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -1.016 -0.870 -3.312 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -0.757 0.770 -2.669 1.00 0.00 H new ATOM 1002 N ASP A 65 0.384 -3.377 -1.428 1.00 0.00 N ATOM 1003 CA ASP A 65 -0.474 -4.561 -1.414 1.00 0.00 C ATOM 1004 C ASP A 65 -0.985 -4.811 0.005 1.00 0.00 C ATOM 1005 O ASP A 65 -0.223 -5.181 0.901 1.00 0.00 O ATOM 1006 CB ASP A 65 0.298 -5.793 -1.902 1.00 0.00 C ATOM 1007 CG ASP A 65 -0.502 -6.507 -2.988 1.00 0.00 C ATOM 1008 OD1 ASP A 65 -1.381 -7.282 -2.639 1.00 0.00 O ATOM 1009 OD2 ASP A 65 -0.223 -6.268 -4.153 1.00 0.00 O ATOM 0 H ASP A 65 1.379 -3.576 -1.532 1.00 0.00 H new ATOM 0 HA ASP A 65 -1.316 -4.386 -2.083 1.00 0.00 H new ATOM 0 HB2 ASP A 65 1.271 -5.493 -2.292 1.00 0.00 H new ATOM 0 HB3 ASP A 65 0.484 -6.471 -1.069 1.00 0.00 H new ATOM 1014 N GLU A 66 -2.287 -4.592 0.196 1.00 0.00 N ATOM 1015 CA GLU A 66 -2.909 -4.779 1.512 1.00 0.00 C ATOM 1016 C GLU A 66 -3.014 -6.263 1.862 1.00 0.00 C ATOM 1017 O GLU A 66 -2.719 -6.669 2.989 1.00 0.00 O ATOM 1018 CB GLU A 66 -4.315 -4.166 1.539 1.00 0.00 C ATOM 1019 CG GLU A 66 -4.261 -2.730 1.011 1.00 0.00 C ATOM 1020 CD GLU A 66 -5.576 -2.020 1.318 1.00 0.00 C ATOM 1021 OE1 GLU A 66 -6.492 -2.138 0.519 1.00 0.00 O ATOM 1022 OE2 GLU A 66 -5.648 -1.365 2.345 1.00 0.00 O ATOM 0 H GLU A 66 -2.929 -4.287 -0.536 1.00 0.00 H new ATOM 0 HA GLU A 66 -2.276 -4.279 2.245 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -4.994 -4.763 0.930 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -4.707 -4.175 2.556 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -3.431 -2.194 1.471 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -4.081 -2.734 -0.064 1.00 0.00 H new ATOM 1029 N ASP A 67 -3.443 -7.063 0.885 1.00 0.00 N ATOM 1030 CA ASP A 67 -3.595 -8.506 1.095 1.00 0.00 C ATOM 1031 C ASP A 67 -2.266 -9.242 0.892 1.00 0.00 C ATOM 1032 O ASP A 67 -1.959 -10.190 1.618 1.00 0.00 O ATOM 1033 CB ASP A 67 -4.656 -9.092 0.147 1.00 0.00 C ATOM 1034 CG ASP A 67 -4.460 -8.558 -1.274 1.00 0.00 C ATOM 1035 OD1 ASP A 67 -3.700 -9.157 -2.011 1.00 0.00 O ATOM 1036 OD2 ASP A 67 -5.073 -7.556 -1.602 1.00 0.00 O ATOM 0 H ASP A 67 -3.690 -6.742 -0.051 1.00 0.00 H new ATOM 0 HA ASP A 67 -3.920 -8.648 2.126 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -4.589 -10.180 0.145 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -5.653 -8.834 0.504 1.00 0.00 H new ATOM 1041 N GLY A 68 -1.488 -8.808 -0.105 1.00 0.00 N ATOM 1042 CA GLY A 68 -0.204 -9.445 -0.397 1.00 0.00 C ATOM 1043 C GLY A 68 -0.428 -10.817 -1.026 1.00 0.00 C ATOM 1044 O GLY A 68 0.147 -11.817 -0.593 1.00 0.00 O ATOM 0 H GLY A 68 -1.723 -8.026 -0.717 1.00 0.00 H new ATOM 0 HA2 GLY A 68 0.376 -8.817 -1.073 1.00 0.00 H new ATOM 0 HA3 GLY A 68 0.376 -9.547 0.520 1.00 0.00 H new ATOM 1048 N SER A 69 -1.288 -10.848 -2.047 1.00 0.00 N ATOM 1049 CA SER A 69 -1.615 -12.100 -2.737 1.00 0.00 C ATOM 1050 C SER A 69 -0.660 -12.388 -3.909 1.00 0.00 C ATOM 1051 O SER A 69 -0.945 -13.248 -4.747 1.00 0.00 O ATOM 1052 CB SER A 69 -3.049 -12.037 -3.276 1.00 0.00 C ATOM 1053 OG SER A 69 -3.193 -10.887 -4.105 1.00 0.00 O ATOM 0 H SER A 69 -1.768 -10.026 -2.413 1.00 0.00 H new ATOM 0 HA SER A 69 -1.511 -12.903 -2.008 1.00 0.00 H new ATOM 0 HB2 SER A 69 -3.276 -12.939 -3.844 1.00 0.00 H new ATOM 0 HB3 SER A 69 -3.758 -11.994 -2.450 1.00 0.00 H new ATOM 0 HG SER A 69 -3.406 -10.108 -3.550 1.00 0.00 H new ATOM 1059 N GLY A 70 0.463 -11.662 -3.975 1.00 0.00 N ATOM 1060 CA GLY A 70 1.423 -11.855 -5.065 1.00 0.00 C ATOM 1061 C GLY A 70 0.848 -11.342 -6.388 1.00 0.00 C ATOM 1062 O GLY A 70 1.237 -11.798 -7.465 1.00 0.00 O ATOM 0 H GLY A 70 0.725 -10.947 -3.297 1.00 0.00 H new ATOM 0 HA2 GLY A 70 2.350 -11.329 -4.837 1.00 0.00 H new ATOM 0 HA3 GLY A 70 1.670 -12.913 -5.156 1.00 0.00 H new ATOM 1066 N THR A 71 -0.086 -10.388 -6.285 1.00 0.00 N ATOM 1067 CA THR A 71 -0.733 -9.800 -7.459 1.00 0.00 C ATOM 1068 C THR A 71 -1.214 -8.386 -7.130 1.00 0.00 C ATOM 1069 O THR A 71 -1.587 -8.097 -5.989 1.00 0.00 O ATOM 1070 CB THR A 71 -1.947 -10.639 -7.900 1.00 0.00 C ATOM 1071 OG1 THR A 71 -3.004 -10.483 -6.961 1.00 0.00 O ATOM 1072 CG2 THR A 71 -1.564 -12.119 -7.983 1.00 0.00 C ATOM 0 H THR A 71 -0.410 -10.007 -5.396 1.00 0.00 H new ATOM 0 HA THR A 71 -0.002 -9.776 -8.267 1.00 0.00 H new ATOM 0 HB THR A 71 -2.272 -10.295 -8.882 1.00 0.00 H new ATOM 0 HG1 THR A 71 -2.684 -10.721 -6.066 1.00 0.00 H new ATOM 0 HG21 THR A 71 -2.430 -12.702 -8.296 1.00 0.00 H new ATOM 0 HG22 THR A 71 -0.760 -12.247 -8.708 1.00 0.00 H new ATOM 0 HG23 THR A 71 -1.229 -12.463 -7.005 1.00 0.00 H new ATOM 1080 N VAL A 72 -1.208 -7.511 -8.136 1.00 0.00 N ATOM 1081 CA VAL A 72 -1.655 -6.135 -7.928 1.00 0.00 C ATOM 1082 C VAL A 72 -3.007 -5.903 -8.594 1.00 0.00 C ATOM 1083 O VAL A 72 -3.165 -6.090 -9.802 1.00 0.00 O ATOM 1084 CB VAL A 72 -0.652 -5.124 -8.495 1.00 0.00 C ATOM 1085 CG1 VAL A 72 -1.041 -3.713 -8.044 1.00 0.00 C ATOM 1086 CG2 VAL A 72 0.755 -5.444 -7.984 1.00 0.00 C ATOM 0 H VAL A 72 -0.904 -7.725 -9.086 1.00 0.00 H new ATOM 0 HA VAL A 72 -1.738 -5.988 -6.851 1.00 0.00 H new ATOM 0 HB VAL A 72 -0.664 -5.181 -9.583 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -0.328 -2.993 -8.447 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -2.041 -3.477 -8.409 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -1.031 -3.663 -6.955 1.00 0.00 H new ATOM 0 HG21 VAL A 72 1.463 -4.722 -8.391 1.00 0.00 H new ATOM 0 HG22 VAL A 72 0.768 -5.391 -6.895 1.00 0.00 H new ATOM 0 HG23 VAL A 72 1.038 -6.448 -8.302 1.00 0.00 H new ATOM 1096 N ASP A 73 -3.971 -5.466 -7.788 1.00 0.00 N ATOM 1097 CA ASP A 73 -5.312 -5.172 -8.289 1.00 0.00 C ATOM 1098 C ASP A 73 -5.322 -3.758 -8.860 1.00 0.00 C ATOM 1099 O ASP A 73 -4.445 -2.958 -8.542 1.00 0.00 O ATOM 1100 CB ASP A 73 -6.344 -5.249 -7.156 1.00 0.00 C ATOM 1101 CG ASP A 73 -6.436 -6.677 -6.623 1.00 0.00 C ATOM 1102 OD1 ASP A 73 -5.515 -7.100 -5.941 1.00 0.00 O ATOM 1103 OD2 ASP A 73 -7.431 -7.326 -6.900 1.00 0.00 O ATOM 0 H ASP A 73 -3.850 -5.308 -6.788 1.00 0.00 H new ATOM 0 HA ASP A 73 -5.570 -5.904 -9.054 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -6.063 -4.570 -6.351 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -7.319 -4.925 -7.520 1.00 0.00 H new ATOM 1108 N PHE A 74 -6.314 -3.445 -9.696 1.00 0.00 N ATOM 1109 CA PHE A 74 -6.392 -2.101 -10.270 1.00 0.00 C ATOM 1110 C PHE A 74 -6.468 -1.053 -9.153 1.00 0.00 C ATOM 1111 O PHE A 74 -5.957 0.059 -9.297 1.00 0.00 O ATOM 1112 CB PHE A 74 -7.605 -1.953 -11.195 1.00 0.00 C ATOM 1113 CG PHE A 74 -7.452 -0.699 -12.019 1.00 0.00 C ATOM 1114 CD1 PHE A 74 -6.239 -0.438 -12.666 1.00 0.00 C ATOM 1115 CD2 PHE A 74 -8.515 0.200 -12.134 1.00 0.00 C ATOM 1116 CE1 PHE A 74 -6.090 0.725 -13.426 1.00 0.00 C ATOM 1117 CE2 PHE A 74 -8.367 1.363 -12.894 1.00 0.00 C ATOM 1118 CZ PHE A 74 -7.155 1.626 -13.540 1.00 0.00 C ATOM 0 H PHE A 74 -7.055 -4.084 -9.984 1.00 0.00 H new ATOM 0 HA PHE A 74 -5.490 -1.943 -10.862 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -7.688 -2.823 -11.847 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -8.522 -1.906 -10.607 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -5.419 -1.135 -12.578 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -9.451 -0.004 -11.635 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -5.154 0.928 -13.925 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -9.188 2.059 -12.983 1.00 0.00 H new ATOM 0 HZ PHE A 74 -7.041 2.525 -14.127 1.00 0.00 H new ATOM 1128 N ASP A 75 -7.087 -1.435 -8.026 1.00 0.00 N ATOM 1129 CA ASP A 75 -7.195 -0.536 -6.876 1.00 0.00 C ATOM 1130 C ASP A 75 -5.810 -0.310 -6.268 1.00 0.00 C ATOM 1131 O ASP A 75 -5.434 0.821 -5.964 1.00 0.00 O ATOM 1132 CB ASP A 75 -8.123 -1.127 -5.809 1.00 0.00 C ATOM 1133 CG ASP A 75 -9.546 -1.212 -6.355 1.00 0.00 C ATOM 1134 OD1 ASP A 75 -10.234 -0.202 -6.326 1.00 0.00 O ATOM 1135 OD2 ASP A 75 -9.929 -2.287 -6.792 1.00 0.00 O ATOM 0 H ASP A 75 -7.515 -2.351 -7.890 1.00 0.00 H new ATOM 0 HA ASP A 75 -7.611 0.412 -7.219 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -7.775 -2.118 -5.519 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -8.104 -0.507 -4.913 1.00 0.00 H new ATOM 1140 N GLU A 76 -5.049 -1.404 -6.118 1.00 0.00 N ATOM 1141 CA GLU A 76 -3.689 -1.322 -5.569 1.00 0.00 C ATOM 1142 C GLU A 76 -2.762 -0.623 -6.573 1.00 0.00 C ATOM 1143 O GLU A 76 -1.809 0.060 -6.190 1.00 0.00 O ATOM 1144 CB GLU A 76 -3.127 -2.723 -5.275 1.00 0.00 C ATOM 1145 CG GLU A 76 -4.085 -3.498 -4.356 1.00 0.00 C ATOM 1146 CD GLU A 76 -3.524 -4.895 -4.065 1.00 0.00 C ATOM 1147 OE1 GLU A 76 -3.068 -5.544 -4.993 1.00 0.00 O ATOM 1148 OE2 GLU A 76 -3.568 -5.302 -2.916 1.00 0.00 O ATOM 0 H GLU A 76 -5.349 -2.347 -6.367 1.00 0.00 H new ATOM 0 HA GLU A 76 -3.737 -0.754 -4.640 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -2.985 -3.269 -6.208 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -2.148 -2.638 -4.803 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -4.226 -2.953 -3.423 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -5.064 -3.582 -4.827 1.00 0.00 H new ATOM 1155 N PHE A 77 -3.064 -0.807 -7.864 1.00 0.00 N ATOM 1156 CA PHE A 77 -2.283 -0.209 -8.947 1.00 0.00 C ATOM 1157 C PHE A 77 -2.388 1.317 -8.908 1.00 0.00 C ATOM 1158 O PHE A 77 -1.376 2.021 -8.924 1.00 0.00 O ATOM 1159 CB PHE A 77 -2.818 -0.716 -10.295 1.00 0.00 C ATOM 1160 CG PHE A 77 -1.711 -0.949 -11.301 1.00 0.00 C ATOM 1161 CD1 PHE A 77 -0.380 -1.160 -10.900 1.00 0.00 C ATOM 1162 CD2 PHE A 77 -2.040 -0.966 -12.659 1.00 0.00 C ATOM 1163 CE1 PHE A 77 0.611 -1.379 -11.864 1.00 0.00 C ATOM 1164 CE2 PHE A 77 -1.051 -1.188 -13.617 1.00 0.00 C ATOM 1165 CZ PHE A 77 0.273 -1.394 -13.222 1.00 0.00 C ATOM 0 H PHE A 77 -3.852 -1.371 -8.183 1.00 0.00 H new ATOM 0 HA PHE A 77 -1.238 -0.493 -8.824 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -3.366 -1.645 -10.140 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -3.526 0.008 -10.698 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -0.123 -1.153 -9.851 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -3.063 -0.807 -12.967 1.00 0.00 H new ATOM 0 HE1 PHE A 77 1.635 -1.536 -11.560 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -1.309 -1.201 -14.666 1.00 0.00 H new ATOM 0 HZ PHE A 77 1.037 -1.565 -13.966 1.00 0.00 H new ATOM 1175 N LEU A 78 -3.628 1.815 -8.856 1.00 0.00 N ATOM 1176 CA LEU A 78 -3.869 3.261 -8.810 1.00 0.00 C ATOM 1177 C LEU A 78 -3.515 3.833 -7.433 1.00 0.00 C ATOM 1178 O LEU A 78 -3.216 5.022 -7.307 1.00 0.00 O ATOM 1179 CB LEU A 78 -5.336 3.570 -9.128 1.00 0.00 C ATOM 1180 CG LEU A 78 -5.647 3.839 -10.609 1.00 0.00 C ATOM 1181 CD1 LEU A 78 -4.896 2.840 -11.494 1.00 0.00 C ATOM 1182 CD2 LEU A 78 -7.153 3.696 -10.844 1.00 0.00 C ATOM 0 H LEU A 78 -4.473 1.244 -8.845 1.00 0.00 H new ATOM 0 HA LEU A 78 -3.230 3.728 -9.560 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -5.947 2.732 -8.792 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -5.641 4.440 -8.546 1.00 0.00 H new ATOM 0 HG LEU A 78 -5.328 4.850 -10.864 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -5.123 3.039 -12.541 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -3.823 2.943 -11.329 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -5.206 1.826 -11.242 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -7.377 3.886 -11.894 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -7.468 2.686 -10.583 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -7.688 4.414 -10.223 1.00 0.00 H new ATOM 1194 N VAL A 79 -3.535 2.973 -6.405 1.00 0.00 N ATOM 1195 CA VAL A 79 -3.194 3.405 -5.046 1.00 0.00 C ATOM 1196 C VAL A 79 -1.735 3.871 -5.011 1.00 0.00 C ATOM 1197 O VAL A 79 -1.428 4.935 -4.478 1.00 0.00 O ATOM 1198 CB VAL A 79 -3.413 2.252 -4.046 1.00 0.00 C ATOM 1199 CG1 VAL A 79 -2.415 2.348 -2.889 1.00 0.00 C ATOM 1200 CG2 VAL A 79 -4.836 2.328 -3.489 1.00 0.00 C ATOM 0 H VAL A 79 -3.781 1.987 -6.488 1.00 0.00 H new ATOM 0 HA VAL A 79 -3.842 4.233 -4.759 1.00 0.00 H new ATOM 0 HB VAL A 79 -3.263 1.305 -4.565 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -2.584 1.526 -2.193 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -1.399 2.289 -3.279 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -2.550 3.297 -2.370 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -4.994 1.514 -2.782 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -4.978 3.282 -2.982 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -5.552 2.242 -4.307 1.00 0.00 H new ATOM 1210 N MET A 80 -0.846 3.058 -5.595 1.00 0.00 N ATOM 1211 CA MET A 80 0.585 3.382 -5.649 1.00 0.00 C ATOM 1212 C MET A 80 0.822 4.840 -6.077 1.00 0.00 C ATOM 1213 O MET A 80 1.792 5.468 -5.648 1.00 0.00 O ATOM 1214 CB MET A 80 1.297 2.454 -6.639 1.00 0.00 C ATOM 1215 CG MET A 80 2.527 1.838 -5.970 1.00 0.00 C ATOM 1216 SD MET A 80 2.971 0.300 -6.818 1.00 0.00 S ATOM 1217 CE MET A 80 3.338 1.021 -8.438 1.00 0.00 C ATOM 0 H MET A 80 -1.092 2.172 -6.036 1.00 0.00 H new ATOM 0 HA MET A 80 0.987 3.244 -4.645 1.00 0.00 H new ATOM 0 HB2 MET A 80 0.618 1.668 -6.969 1.00 0.00 H new ATOM 0 HB3 MET A 80 1.594 3.012 -7.527 1.00 0.00 H new ATOM 0 HG2 MET A 80 3.362 2.538 -6.004 1.00 0.00 H new ATOM 0 HG3 MET A 80 2.321 1.639 -4.918 1.00 0.00 H new ATOM 0 HE1 MET A 80 3.672 0.237 -9.118 1.00 0.00 H new ATOM 0 HE2 MET A 80 2.440 1.490 -8.839 1.00 0.00 H new ATOM 0 HE3 MET A 80 4.123 1.770 -8.334 1.00 0.00 H new ATOM 1227 N MET A 81 -0.074 5.373 -6.924 1.00 0.00 N ATOM 1228 CA MET A 81 0.052 6.758 -7.393 1.00 0.00 C ATOM 1229 C MET A 81 -0.137 7.738 -6.233 1.00 0.00 C ATOM 1230 O MET A 81 0.733 8.568 -5.962 1.00 0.00 O ATOM 1231 CB MET A 81 -0.985 7.061 -8.484 1.00 0.00 C ATOM 1232 CG MET A 81 -0.397 6.738 -9.852 1.00 0.00 C ATOM 1233 SD MET A 81 0.870 7.959 -10.275 1.00 0.00 S ATOM 1234 CE MET A 81 2.156 6.778 -10.747 1.00 0.00 C ATOM 0 H MET A 81 -0.882 4.872 -7.293 1.00 0.00 H new ATOM 0 HA MET A 81 1.053 6.878 -7.808 1.00 0.00 H new ATOM 0 HB2 MET A 81 -1.887 6.472 -8.316 1.00 0.00 H new ATOM 0 HB3 MET A 81 -1.277 8.110 -8.441 1.00 0.00 H new ATOM 0 HG2 MET A 81 0.036 5.738 -9.845 1.00 0.00 H new ATOM 0 HG3 MET A 81 -1.184 6.740 -10.606 1.00 0.00 H new ATOM 0 HE1 MET A 81 3.135 7.244 -10.639 1.00 0.00 H new ATOM 0 HE2 MET A 81 2.099 5.901 -10.102 1.00 0.00 H new ATOM 0 HE3 MET A 81 2.010 6.476 -11.784 1.00 0.00 H new ATOM 1244 N VAL A 82 -1.282 7.629 -5.551 1.00 0.00 N ATOM 1245 CA VAL A 82 -1.579 8.509 -4.410 1.00 0.00 C ATOM 1246 C VAL A 82 -0.615 8.245 -3.249 1.00 0.00 C ATOM 1247 O VAL A 82 -0.318 9.145 -2.463 1.00 0.00 O ATOM 1248 CB VAL A 82 -3.019 8.313 -3.918 1.00 0.00 C ATOM 1249 CG1 VAL A 82 -3.998 8.672 -5.038 1.00 0.00 C ATOM 1250 CG2 VAL A 82 -3.238 6.856 -3.500 1.00 0.00 C ATOM 0 H VAL A 82 -2.012 6.949 -5.764 1.00 0.00 H new ATOM 0 HA VAL A 82 -1.456 9.535 -4.756 1.00 0.00 H new ATOM 0 HB VAL A 82 -3.191 8.962 -3.059 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -5.020 8.532 -4.686 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -3.853 9.713 -5.328 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -3.819 8.027 -5.898 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -4.263 6.727 -3.152 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -3.059 6.202 -4.353 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -2.548 6.600 -2.696 1.00 0.00 H new ATOM 1260 N ARG A 83 -0.132 6.999 -3.158 1.00 0.00 N ATOM 1261 CA ARG A 83 0.807 6.608 -2.099 1.00 0.00 C ATOM 1262 C ARG A 83 1.999 7.568 -2.056 1.00 0.00 C ATOM 1263 O ARG A 83 2.499 7.903 -0.980 1.00 0.00 O ATOM 1264 CB ARG A 83 1.327 5.186 -2.341 1.00 0.00 C ATOM 1265 CG ARG A 83 0.271 4.165 -1.901 1.00 0.00 C ATOM 1266 CD ARG A 83 0.415 3.879 -0.402 1.00 0.00 C ATOM 1267 NE ARG A 83 1.575 3.017 -0.143 1.00 0.00 N ATOM 1268 CZ ARG A 83 2.748 3.503 0.298 1.00 0.00 C ATOM 1269 NH1 ARG A 83 2.915 4.789 0.508 1.00 0.00 N ATOM 1270 NH2 ARG A 83 3.743 2.681 0.515 1.00 0.00 N ATOM 0 H ARG A 83 -0.375 6.247 -3.803 1.00 0.00 H new ATOM 0 HA ARG A 83 0.273 6.646 -1.149 1.00 0.00 H new ATOM 0 HB2 ARG A 83 1.561 5.049 -3.397 1.00 0.00 H new ATOM 0 HB3 ARG A 83 2.252 5.028 -1.787 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -0.728 4.547 -2.113 1.00 0.00 H new ATOM 0 HG3 ARG A 83 0.386 3.242 -2.469 1.00 0.00 H new ATOM 0 HD2 ARG A 83 0.525 4.817 0.142 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -0.490 3.399 -0.031 1.00 0.00 H new ATOM 0 HE ARG A 83 1.488 2.014 -0.303 1.00 0.00 H new ATOM 0 HH11 ARG A 83 2.147 5.438 0.336 1.00 0.00 H new ATOM 0 HH12 ARG A 83 3.813 5.139 0.843 1.00 0.00 H new ATOM 0 HH21 ARG A 83 3.624 1.682 0.349 1.00 0.00 H new ATOM 0 HH22 ARG A 83 4.637 3.040 0.850 1.00 0.00 H new