USER MOD reduce.3.24.130724 H: found=0, std=0, add=496, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 497 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 37 ASN : amide:sc= 1.41 K(o=2.3,f=0.62) USER MOD Set 1.2: A 42 SER OG : rot -169:sc= 0.936 USER MOD Single : A 5 ASN : amide:sc= 0.958 K(o=0.96,f=-2.3!) USER MOD Single : A 7 LYS NZ :NH3+ -150:sc= -0.131 (180deg=-0.756) USER MOD Single : A 12 LYS NZ :NH3+ 133:sc= -0.379 (180deg=-0.914) USER MOD Single : A 13 LYS NZ :NH3+ -147:sc= -0.955 (180deg=-3.5!) USER MOD Single : A 14 LYS NZ :NH3+ 138:sc= -0.128 (180deg=-0.828) USER MOD Single : A 16 SER OG : rot 50:sc= 0.435 USER MOD Single : A 17 GLN : amide:sc= -0.542 K(o=-0.54,f=-1.2) USER MOD Single : A 18 SER OG : rot 180:sc= 0.0876 USER MOD Single : A 27 SER OG : rot 180:sc= 0.0408 USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 THR OG1 : rot 105:sc= 1.14 USER MOD Single : A 32 ASN : amide:sc= 0.766 K(o=0.77,f=-1.1) USER MOD Single : A 36 LYS NZ :NH3+ 173:sc= -0.151 (180deg=-0.518!) USER MOD Single : A 38 LYS NZ :NH3+ -165:sc= -0.112 (180deg=-0.686) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc= -6.02! C(o=-6!,f=-9.7!) USER MOD Single : A 44 GLN : amide:sc= -0.209 X(o=-0.21,f=-0.21) USER MOD Single : A 48 LYS NZ :NH3+ 161:sc= -0.0195 (180deg=-0.442) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 TYR OH : rot 88:sc= 0.89 USER MOD Single : A 54 ASN : amide:sc=-0.00839 X(o=-0.0084,f=-0.45) USER MOD Single : A 55 THR OG1 : rot -21:sc= -2.21! USER MOD ----------------------------------------------------------------- ATOM 70 N ASN A 5 -6.753 -3.456 8.030 1.00 0.00 N ATOM 71 CA ASN A 5 -6.317 -3.638 6.644 1.00 0.00 C ATOM 72 C ASN A 5 -4.919 -4.235 6.543 1.00 0.00 C ATOM 73 O ASN A 5 -4.733 -5.289 5.945 1.00 0.00 O ATOM 74 CB ASN A 5 -6.372 -2.317 5.858 1.00 0.00 C ATOM 75 CG ASN A 5 -7.789 -2.030 5.365 1.00 0.00 C ATOM 76 OD1 ASN A 5 -8.557 -2.956 5.099 1.00 0.00 O ATOM 77 ND2 ASN A 5 -8.181 -0.805 5.198 1.00 0.00 N ATOM 0 HA ASN A 5 -7.017 -4.347 6.201 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -6.031 -1.498 6.492 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -5.691 -2.367 5.008 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -9.120 -0.613 4.848 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -7.550 -0.034 5.416 1.00 0.00 H new ATOM 84 N LEU A 6 -3.928 -3.516 7.052 1.00 0.00 N ATOM 85 CA LEU A 6 -2.529 -3.904 6.842 1.00 0.00 C ATOM 86 C LEU A 6 -2.209 -5.262 7.420 1.00 0.00 C ATOM 87 O LEU A 6 -1.540 -6.068 6.772 1.00 0.00 O ATOM 88 CB LEU A 6 -1.564 -2.839 7.373 1.00 0.00 C ATOM 89 CG LEU A 6 -1.638 -1.594 6.474 1.00 0.00 C ATOM 90 CD1 LEU A 6 -0.866 -0.442 7.115 1.00 0.00 C ATOM 91 CD2 LEU A 6 -1.026 -1.908 5.101 1.00 0.00 C ATOM 0 H LEU A 6 -4.058 -2.670 7.607 1.00 0.00 H new ATOM 0 HA LEU A 6 -2.391 -3.979 5.763 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -1.822 -2.577 8.399 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -0.547 -3.230 7.390 1.00 0.00 H new ATOM 0 HG LEU A 6 -2.683 -1.308 6.353 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -0.923 0.436 6.472 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -1.301 -0.209 8.087 1.00 0.00 H new ATOM 0 HD13 LEU A 6 0.177 -0.730 7.244 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -1.081 -1.023 4.467 1.00 0.00 H new ATOM 0 HD22 LEU A 6 0.016 -2.201 5.226 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -1.579 -2.723 4.634 1.00 0.00 H new ATOM 103 N LYS A 7 -2.721 -5.549 8.598 1.00 0.00 N ATOM 104 CA LYS A 7 -2.494 -6.854 9.185 1.00 0.00 C ATOM 105 C LYS A 7 -2.929 -7.934 8.206 1.00 0.00 C ATOM 106 O LYS A 7 -2.217 -8.915 7.995 1.00 0.00 O ATOM 107 CB LYS A 7 -3.255 -6.997 10.512 1.00 0.00 C ATOM 108 CG LYS A 7 -4.763 -6.761 10.305 1.00 0.00 C ATOM 109 CD LYS A 7 -5.429 -6.486 11.664 1.00 0.00 C ATOM 110 CE LYS A 7 -5.961 -7.792 12.276 1.00 0.00 C ATOM 111 NZ LYS A 7 -7.059 -8.336 11.433 1.00 0.00 N ATOM 0 H LYS A 7 -3.286 -4.912 9.159 1.00 0.00 H new ATOM 0 HA LYS A 7 -1.430 -6.965 9.395 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -3.091 -7.992 10.925 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -2.867 -6.283 11.238 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -4.921 -5.918 9.633 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -5.218 -7.633 9.835 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -4.710 -6.026 12.342 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -6.247 -5.777 11.538 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -5.155 -8.522 12.354 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -6.324 -7.608 13.287 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -7.728 -8.862 12.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -7.557 -7.553 10.963 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -6.661 -8.974 10.714 1.00 0.00 H new ATOM 125 N LEU A 8 -4.085 -7.707 7.591 1.00 0.00 N ATOM 126 CA LEU A 8 -4.667 -8.615 6.605 1.00 0.00 C ATOM 127 C LEU A 8 -3.822 -8.685 5.339 1.00 0.00 C ATOM 128 O LEU A 8 -3.777 -9.716 4.668 1.00 0.00 O ATOM 129 CB LEU A 8 -6.090 -8.179 6.248 1.00 0.00 C ATOM 130 CG LEU A 8 -6.987 -8.223 7.496 1.00 0.00 C ATOM 131 CD1 LEU A 8 -8.389 -7.757 7.127 1.00 0.00 C ATOM 132 CD2 LEU A 8 -7.051 -9.644 8.057 1.00 0.00 C ATOM 0 H LEU A 8 -4.652 -6.877 7.764 1.00 0.00 H new ATOM 0 HA LEU A 8 -4.694 -9.608 7.054 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -6.077 -7.170 5.836 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -6.496 -8.833 5.476 1.00 0.00 H new ATOM 0 HG LEU A 8 -6.567 -7.565 8.257 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -9.027 -7.787 8.010 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -8.345 -6.737 6.746 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -8.800 -8.413 6.360 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -7.690 -9.658 8.940 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -7.461 -10.315 7.302 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -6.048 -9.973 8.329 1.00 0.00 H new ATOM 144 N ILE A 9 -3.239 -7.559 4.956 1.00 0.00 N ATOM 145 CA ILE A 9 -2.517 -7.479 3.693 1.00 0.00 C ATOM 146 C ILE A 9 -1.382 -8.486 3.691 1.00 0.00 C ATOM 147 O ILE A 9 -1.148 -9.165 2.691 1.00 0.00 O ATOM 148 CB ILE A 9 -1.980 -6.053 3.429 1.00 0.00 C ATOM 149 CG1 ILE A 9 -3.148 -5.080 3.211 1.00 0.00 C ATOM 150 CG2 ILE A 9 -1.088 -6.049 2.178 1.00 0.00 C ATOM 151 CD1 ILE A 9 -4.019 -5.549 2.041 1.00 0.00 C ATOM 0 H ILE A 9 -3.250 -6.694 5.496 1.00 0.00 H new ATOM 0 HA ILE A 9 -3.212 -7.715 2.887 1.00 0.00 H new ATOM 0 HB ILE A 9 -1.398 -5.738 4.295 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -3.750 -5.014 4.118 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -2.764 -4.080 3.010 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -0.715 -5.040 2.000 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -0.247 -6.726 2.329 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -1.669 -6.378 1.316 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -4.843 -4.850 1.898 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -3.417 -5.591 1.133 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -4.417 -6.540 2.258 1.00 0.00 H new ATOM 163 N ARG A 10 -0.697 -8.596 4.806 1.00 0.00 N ATOM 164 CA ARG A 10 0.402 -9.542 4.916 1.00 0.00 C ATOM 165 C ARG A 10 -0.144 -10.928 4.615 1.00 0.00 C ATOM 166 O ARG A 10 0.453 -11.703 3.861 1.00 0.00 O ATOM 167 CB ARG A 10 0.872 -9.568 6.360 1.00 0.00 C ATOM 168 CG ARG A 10 1.387 -8.198 6.789 1.00 0.00 C ATOM 169 CD ARG A 10 1.695 -8.274 8.277 1.00 0.00 C ATOM 170 NE ARG A 10 0.458 -8.612 8.993 1.00 0.00 N ATOM 171 CZ ARG A 10 0.440 -8.889 10.292 1.00 0.00 C ATOM 172 NH1 ARG A 10 1.513 -8.732 11.007 1.00 0.00 N ATOM 173 NH2 ARG A 10 -0.662 -9.301 10.847 1.00 0.00 N ATOM 0 H ARG A 10 -0.876 -8.048 5.648 1.00 0.00 H new ATOM 0 HA ARG A 10 1.209 -9.263 4.238 1.00 0.00 H new ATOM 0 HB2 ARG A 10 0.050 -9.872 7.009 1.00 0.00 H new ATOM 0 HB3 ARG A 10 1.661 -10.311 6.477 1.00 0.00 H new ATOM 0 HG2 ARG A 10 2.281 -7.930 6.225 1.00 0.00 H new ATOM 0 HG3 ARG A 10 0.642 -7.428 6.590 1.00 0.00 H new ATOM 0 HD2 ARG A 10 2.460 -9.026 8.467 1.00 0.00 H new ATOM 0 HD3 ARG A 10 2.089 -7.322 8.631 1.00 0.00 H new ATOM 0 HE ARG A 10 -0.420 -8.635 8.474 1.00 0.00 H new ATOM 0 HH11 ARG A 10 2.372 -8.395 10.571 1.00 0.00 H new ATOM 0 HH12 ARG A 10 1.497 -8.945 12.004 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -1.506 -9.410 10.285 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -0.682 -9.515 11.844 1.00 0.00 H new ATOM 187 N GLU A 11 -1.302 -11.222 5.205 1.00 0.00 N ATOM 188 CA GLU A 11 -1.954 -12.505 5.026 1.00 0.00 C ATOM 189 C GLU A 11 -2.420 -12.637 3.588 1.00 0.00 C ATOM 190 O GLU A 11 -2.252 -13.685 2.956 1.00 0.00 O ATOM 191 CB GLU A 11 -3.161 -12.630 5.969 1.00 0.00 C ATOM 192 CG GLU A 11 -2.846 -11.993 7.339 1.00 0.00 C ATOM 193 CD GLU A 11 -1.610 -12.606 7.970 1.00 0.00 C ATOM 194 OE1 GLU A 11 -1.535 -13.810 8.050 1.00 0.00 O ATOM 195 OE2 GLU A 11 -0.756 -11.859 8.374 1.00 0.00 O ATOM 0 H GLU A 11 -1.806 -10.578 5.815 1.00 0.00 H new ATOM 0 HA GLU A 11 -1.243 -13.297 5.259 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -4.029 -12.142 5.525 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -3.419 -13.681 6.101 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -2.698 -10.920 7.216 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -3.698 -12.123 8.006 1.00 0.00 H new ATOM 202 N LYS A 12 -2.969 -11.553 3.063 1.00 0.00 N ATOM 203 CA LYS A 12 -3.405 -11.502 1.678 1.00 0.00 C ATOM 204 C LYS A 12 -2.219 -11.683 0.750 1.00 0.00 C ATOM 205 O LYS A 12 -2.313 -12.359 -0.272 1.00 0.00 O ATOM 206 CB LYS A 12 -4.063 -10.151 1.402 1.00 0.00 C ATOM 207 CG LYS A 12 -5.435 -10.079 2.093 1.00 0.00 C ATOM 208 CD LYS A 12 -5.965 -8.632 2.066 1.00 0.00 C ATOM 209 CE LYS A 12 -5.812 -8.020 0.664 1.00 0.00 C ATOM 210 NZ LYS A 12 -6.424 -8.911 -0.350 1.00 0.00 N ATOM 0 H LYS A 12 -3.124 -10.689 3.582 1.00 0.00 H new ATOM 0 HA LYS A 12 -4.121 -12.304 1.501 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -3.423 -9.346 1.763 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -4.180 -10.008 0.328 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -6.139 -10.742 1.591 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -5.351 -10.425 3.123 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -7.014 -8.619 2.361 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -5.422 -8.028 2.793 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -6.288 -7.040 0.633 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -4.756 -7.869 0.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -7.022 -8.350 -0.990 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -5.675 -9.379 -0.898 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -7.006 -9.630 0.126 1.00 0.00 H new ATOM 224 N LYS A 13 -1.112 -11.055 1.100 1.00 0.00 N ATOM 225 CA LYS A 13 0.090 -11.120 0.285 1.00 0.00 C ATOM 226 C LYS A 13 0.833 -12.426 0.447 1.00 0.00 C ATOM 227 O LYS A 13 1.742 -12.711 -0.337 1.00 0.00 O ATOM 228 CB LYS A 13 1.014 -9.923 0.550 1.00 0.00 C ATOM 229 CG LYS A 13 0.377 -8.649 -0.020 1.00 0.00 C ATOM 230 CD LYS A 13 0.362 -8.737 -1.556 1.00 0.00 C ATOM 231 CE LYS A 13 -0.298 -7.496 -2.144 1.00 0.00 C ATOM 232 NZ LYS A 13 -0.334 -7.597 -3.627 1.00 0.00 N ATOM 0 H LYS A 13 -1.019 -10.492 1.945 1.00 0.00 H new ATOM 0 HA LYS A 13 -0.239 -11.071 -0.753 1.00 0.00 H new ATOM 0 HB2 LYS A 13 1.183 -9.810 1.621 1.00 0.00 H new ATOM 0 HB3 LYS A 13 1.988 -10.093 0.090 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -0.638 -8.534 0.360 1.00 0.00 H new ATOM 0 HG3 LYS A 13 0.939 -7.772 0.301 1.00 0.00 H new ATOM 0 HD2 LYS A 13 1.381 -8.830 -1.933 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -0.178 -9.630 -1.872 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -1.310 -7.392 -1.753 1.00 0.00 H new ATOM 0 HE3 LYS A 13 0.253 -6.604 -1.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -0.238 -6.648 -4.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 0.449 -8.199 -3.953 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -1.239 -8.015 -3.925 1.00 0.00 H new ATOM 246 N LYS A 14 0.461 -13.222 1.443 1.00 0.00 N ATOM 247 CA LYS A 14 1.131 -14.502 1.669 1.00 0.00 C ATOM 248 C LYS A 14 2.631 -14.272 1.737 1.00 0.00 C ATOM 249 O LYS A 14 3.367 -14.715 0.849 1.00 0.00 O ATOM 250 CB LYS A 14 0.840 -15.477 0.507 1.00 0.00 C ATOM 251 CG LYS A 14 -0.660 -15.783 0.385 1.00 0.00 C ATOM 252 CD LYS A 14 -1.095 -16.747 1.494 1.00 0.00 C ATOM 253 CE LYS A 14 -2.566 -17.115 1.291 1.00 0.00 C ATOM 254 NZ LYS A 14 -2.733 -17.797 -0.022 1.00 0.00 N ATOM 0 H LYS A 14 -0.290 -13.010 2.100 1.00 0.00 H new ATOM 0 HA LYS A 14 0.762 -14.930 2.601 1.00 0.00 H new ATOM 0 HB2 LYS A 14 1.201 -15.048 -0.428 1.00 0.00 H new ATOM 0 HB3 LYS A 14 1.389 -16.405 0.664 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -1.234 -14.859 0.451 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -0.871 -16.220 -0.591 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -0.477 -17.645 1.475 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -0.955 -16.284 2.471 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -2.903 -17.767 2.097 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -3.184 -16.218 1.328 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -3.381 -18.603 0.086 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -3.126 -17.127 -0.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -1.809 -18.138 -0.356 1.00 0.00 H new ATOM 268 N ILE A 15 3.078 -13.509 2.714 1.00 0.00 N ATOM 269 CA ILE A 15 4.483 -13.155 2.758 1.00 0.00 C ATOM 270 C ILE A 15 5.243 -14.232 3.502 1.00 0.00 C ATOM 271 O ILE A 15 5.078 -14.396 4.710 1.00 0.00 O ATOM 272 CB ILE A 15 4.663 -11.820 3.498 1.00 0.00 C ATOM 273 CG1 ILE A 15 3.813 -10.737 2.829 1.00 0.00 C ATOM 274 CG2 ILE A 15 6.142 -11.390 3.439 1.00 0.00 C ATOM 275 CD1 ILE A 15 3.842 -9.475 3.696 1.00 0.00 C ATOM 0 H ILE A 15 2.507 -13.130 3.470 1.00 0.00 H new ATOM 0 HA ILE A 15 4.861 -13.061 1.740 1.00 0.00 H new ATOM 0 HB ILE A 15 4.352 -11.948 4.535 1.00 0.00 H new ATOM 0 HG12 ILE A 15 4.197 -10.518 1.833 1.00 0.00 H new ATOM 0 HG13 ILE A 15 2.788 -11.086 2.706 1.00 0.00 H new ATOM 0 HG21 ILE A 15 6.267 -10.443 3.964 1.00 0.00 H new ATOM 0 HG22 ILE A 15 6.762 -12.152 3.912 1.00 0.00 H new ATOM 0 HG23 ILE A 15 6.445 -11.270 2.399 1.00 0.00 H new ATOM 0 HD11 ILE A 15 3.239 -8.698 3.227 1.00 0.00 H new ATOM 0 HD12 ILE A 15 3.438 -9.702 4.683 1.00 0.00 H new ATOM 0 HD13 ILE A 15 4.870 -9.126 3.796 1.00 0.00 H new ATOM 287 N SER A 16 6.109 -14.918 2.799 1.00 0.00 N ATOM 288 CA SER A 16 6.947 -15.923 3.412 1.00 0.00 C ATOM 289 C SER A 16 8.066 -15.243 4.190 1.00 0.00 C ATOM 290 O SER A 16 8.480 -14.133 3.841 1.00 0.00 O ATOM 291 CB SER A 16 7.522 -16.835 2.334 1.00 0.00 C ATOM 292 OG SER A 16 6.471 -17.193 1.423 1.00 0.00 O ATOM 0 H SER A 16 6.254 -14.799 1.796 1.00 0.00 H new ATOM 0 HA SER A 16 6.356 -16.527 4.101 1.00 0.00 H new ATOM 0 HB2 SER A 16 8.327 -16.329 1.801 1.00 0.00 H new ATOM 0 HB3 SER A 16 7.951 -17.729 2.786 1.00 0.00 H new ATOM 0 HG SER A 16 5.995 -16.385 1.138 1.00 0.00 H new ATOM 298 N GLN A 17 8.580 -15.904 5.215 1.00 0.00 N ATOM 299 CA GLN A 17 9.664 -15.324 5.998 1.00 0.00 C ATOM 300 C GLN A 17 10.829 -14.990 5.083 1.00 0.00 C ATOM 301 O GLN A 17 11.374 -13.887 5.125 1.00 0.00 O ATOM 302 CB GLN A 17 10.114 -16.302 7.092 1.00 0.00 C ATOM 303 CG GLN A 17 9.002 -16.460 8.139 1.00 0.00 C ATOM 304 CD GLN A 17 8.813 -15.153 8.899 1.00 0.00 C ATOM 305 OE1 GLN A 17 8.081 -14.274 8.449 1.00 0.00 O ATOM 306 NE2 GLN A 17 9.437 -14.964 10.019 1.00 0.00 N ATOM 0 H GLN A 17 8.272 -16.827 5.522 1.00 0.00 H new ATOM 0 HA GLN A 17 9.309 -14.411 6.476 1.00 0.00 H new ATOM 0 HB2 GLN A 17 10.351 -17.270 6.651 1.00 0.00 H new ATOM 0 HB3 GLN A 17 11.024 -15.936 7.567 1.00 0.00 H new ATOM 0 HG2 GLN A 17 8.070 -16.745 7.651 1.00 0.00 H new ATOM 0 HG3 GLN A 17 9.256 -17.261 8.834 1.00 0.00 H new ATOM 0 HE21 GLN A 17 10.045 -15.693 10.393 1.00 0.00 H new ATOM 0 HE22 GLN A 17 9.320 -14.087 10.526 1.00 0.00 H new ATOM 315 N SER A 18 11.104 -15.892 4.163 1.00 0.00 N ATOM 316 CA SER A 18 12.114 -15.664 3.149 1.00 0.00 C ATOM 317 C SER A 18 11.732 -14.466 2.285 1.00 0.00 C ATOM 318 O SER A 18 12.565 -13.612 1.977 1.00 0.00 O ATOM 319 CB SER A 18 12.248 -16.918 2.290 1.00 0.00 C ATOM 320 OG SER A 18 10.963 -17.540 2.175 1.00 0.00 O ATOM 0 H SER A 18 10.638 -16.797 4.097 1.00 0.00 H new ATOM 0 HA SER A 18 13.070 -15.448 3.627 1.00 0.00 H new ATOM 0 HB2 SER A 18 12.632 -16.660 1.303 1.00 0.00 H new ATOM 0 HB3 SER A 18 12.962 -17.608 2.739 1.00 0.00 H new ATOM 0 HG SER A 18 11.038 -18.346 1.623 1.00 0.00 H new ATOM 326 N GLU A 19 10.455 -14.378 1.941 1.00 0.00 N ATOM 327 CA GLU A 19 9.953 -13.260 1.159 1.00 0.00 C ATOM 328 C GLU A 19 10.033 -11.979 1.977 1.00 0.00 C ATOM 329 O GLU A 19 10.457 -10.937 1.475 1.00 0.00 O ATOM 330 CB GLU A 19 8.512 -13.524 0.735 1.00 0.00 C ATOM 331 CG GLU A 19 8.481 -14.684 -0.274 1.00 0.00 C ATOM 332 CD GLU A 19 7.055 -15.024 -0.634 1.00 0.00 C ATOM 333 OE1 GLU A 19 6.221 -14.993 0.240 1.00 0.00 O ATOM 334 OE2 GLU A 19 6.805 -15.305 -1.780 1.00 0.00 O ATOM 0 H GLU A 19 9.748 -15.069 2.192 1.00 0.00 H new ATOM 0 HA GLU A 19 10.566 -13.147 0.265 1.00 0.00 H new ATOM 0 HB2 GLU A 19 7.904 -13.769 1.606 1.00 0.00 H new ATOM 0 HB3 GLU A 19 8.083 -12.627 0.288 1.00 0.00 H new ATOM 0 HG2 GLU A 19 9.035 -14.410 -1.172 1.00 0.00 H new ATOM 0 HG3 GLU A 19 8.975 -15.558 0.150 1.00 0.00 H new ATOM 341 N LEU A 20 9.669 -12.083 3.249 1.00 0.00 N ATOM 342 CA LEU A 20 9.765 -10.967 4.177 1.00 0.00 C ATOM 343 C LEU A 20 11.221 -10.573 4.338 1.00 0.00 C ATOM 344 O LEU A 20 11.564 -9.387 4.352 1.00 0.00 O ATOM 345 CB LEU A 20 9.164 -11.349 5.540 1.00 0.00 C ATOM 346 CG LEU A 20 9.273 -10.167 6.523 1.00 0.00 C ATOM 347 CD1 LEU A 20 8.545 -8.941 5.960 1.00 0.00 C ATOM 348 CD2 LEU A 20 8.635 -10.558 7.860 1.00 0.00 C ATOM 0 H LEU A 20 9.301 -12.939 3.663 1.00 0.00 H new ATOM 0 HA LEU A 20 9.202 -10.122 3.781 1.00 0.00 H new ATOM 0 HB2 LEU A 20 8.119 -11.634 5.417 1.00 0.00 H new ATOM 0 HB3 LEU A 20 9.685 -12.217 5.945 1.00 0.00 H new ATOM 0 HG LEU A 20 10.326 -9.924 6.668 1.00 0.00 H new ATOM 0 HD11 LEU A 20 8.629 -8.113 6.664 1.00 0.00 H new ATOM 0 HD12 LEU A 20 8.994 -8.656 5.009 1.00 0.00 H new ATOM 0 HD13 LEU A 20 7.493 -9.181 5.807 1.00 0.00 H new ATOM 0 HD21 LEU A 20 8.711 -9.724 8.557 1.00 0.00 H new ATOM 0 HD22 LEU A 20 7.585 -10.806 7.703 1.00 0.00 H new ATOM 0 HD23 LEU A 20 9.155 -11.423 8.272 1.00 0.00 H new ATOM 360 N ALA A 21 12.078 -11.583 4.442 1.00 0.00 N ATOM 361 CA ALA A 21 13.506 -11.366 4.605 1.00 0.00 C ATOM 362 C ALA A 21 14.016 -10.389 3.562 1.00 0.00 C ATOM 363 O ALA A 21 14.993 -9.682 3.795 1.00 0.00 O ATOM 364 CB ALA A 21 14.269 -12.686 4.495 1.00 0.00 C ATOM 0 H ALA A 21 11.803 -12.565 4.416 1.00 0.00 H new ATOM 0 HA ALA A 21 13.673 -10.946 5.597 1.00 0.00 H new ATOM 0 HB1 ALA A 21 15.336 -12.501 4.620 1.00 0.00 H new ATOM 0 HB2 ALA A 21 13.926 -13.370 5.271 1.00 0.00 H new ATOM 0 HB3 ALA A 21 14.090 -13.129 3.515 1.00 0.00 H new ATOM 370 N ALA A 22 13.314 -10.322 2.435 1.00 0.00 N ATOM 371 CA ALA A 22 13.651 -9.389 1.364 1.00 0.00 C ATOM 372 C ALA A 22 13.669 -7.967 1.903 1.00 0.00 C ATOM 373 O ALA A 22 14.651 -7.240 1.748 1.00 0.00 O ATOM 374 CB ALA A 22 12.614 -9.494 0.244 1.00 0.00 C ATOM 0 H ALA A 22 12.502 -10.907 2.239 1.00 0.00 H new ATOM 0 HA ALA A 22 14.637 -9.639 0.973 1.00 0.00 H new ATOM 0 HB1 ALA A 22 12.868 -8.796 -0.554 1.00 0.00 H new ATOM 0 HB2 ALA A 22 12.607 -10.510 -0.151 1.00 0.00 H new ATOM 0 HB3 ALA A 22 11.627 -9.251 0.638 1.00 0.00 H new ATOM 380 N LEU A 23 12.628 -7.621 2.634 1.00 0.00 N ATOM 381 CA LEU A 23 12.568 -6.341 3.321 1.00 0.00 C ATOM 382 C LEU A 23 13.657 -6.268 4.355 1.00 0.00 C ATOM 383 O LEU A 23 14.231 -5.212 4.604 1.00 0.00 O ATOM 384 CB LEU A 23 11.210 -6.169 4.001 1.00 0.00 C ATOM 385 CG LEU A 23 10.169 -5.760 2.966 1.00 0.00 C ATOM 386 CD1 LEU A 23 8.767 -5.931 3.556 1.00 0.00 C ATOM 387 CD2 LEU A 23 10.392 -4.285 2.598 1.00 0.00 C ATOM 0 H LEU A 23 11.807 -8.210 2.769 1.00 0.00 H new ATOM 0 HA LEU A 23 12.704 -5.544 2.590 1.00 0.00 H new ATOM 0 HB2 LEU A 23 10.912 -7.100 4.483 1.00 0.00 H new ATOM 0 HB3 LEU A 23 11.277 -5.413 4.783 1.00 0.00 H new ATOM 0 HG LEU A 23 10.263 -6.384 2.078 1.00 0.00 H new ATOM 0 HD11 LEU A 23 8.022 -5.638 2.816 1.00 0.00 H new ATOM 0 HD12 LEU A 23 8.613 -6.974 3.832 1.00 0.00 H new ATOM 0 HD13 LEU A 23 8.665 -5.302 4.441 1.00 0.00 H new ATOM 0 HD21 LEU A 23 9.653 -3.979 1.857 1.00 0.00 H new ATOM 0 HD22 LEU A 23 10.288 -3.668 3.490 1.00 0.00 H new ATOM 0 HD23 LEU A 23 11.393 -4.160 2.185 1.00 0.00 H new ATOM 399 N LEU A 24 13.863 -7.375 5.025 1.00 0.00 N ATOM 400 CA LEU A 24 14.789 -7.433 6.127 1.00 0.00 C ATOM 401 C LEU A 24 16.228 -7.586 5.644 1.00 0.00 C ATOM 402 O LEU A 24 17.150 -7.689 6.452 1.00 0.00 O ATOM 403 CB LEU A 24 14.375 -8.524 7.126 1.00 0.00 C ATOM 404 CG LEU A 24 13.202 -7.996 7.996 1.00 0.00 C ATOM 405 CD1 LEU A 24 12.097 -7.414 7.107 1.00 0.00 C ATOM 406 CD2 LEU A 24 12.599 -9.132 8.816 1.00 0.00 C ATOM 0 H LEU A 24 13.395 -8.258 4.822 1.00 0.00 H new ATOM 0 HA LEU A 24 14.751 -6.482 6.659 1.00 0.00 H new ATOM 0 HB2 LEU A 24 14.073 -9.426 6.594 1.00 0.00 H new ATOM 0 HB3 LEU A 24 15.220 -8.795 7.759 1.00 0.00 H new ATOM 0 HG LEU A 24 13.597 -7.224 8.656 1.00 0.00 H new ATOM 0 HD11 LEU A 24 11.282 -7.048 7.732 1.00 0.00 H new ATOM 0 HD12 LEU A 24 12.500 -6.590 6.518 1.00 0.00 H new ATOM 0 HD13 LEU A 24 11.722 -8.189 6.439 1.00 0.00 H new ATOM 0 HD21 LEU A 24 11.778 -8.748 9.421 1.00 0.00 H new ATOM 0 HD22 LEU A 24 12.225 -9.906 8.146 1.00 0.00 H new ATOM 0 HD23 LEU A 24 13.363 -9.555 9.468 1.00 0.00 H new ATOM 418 N GLU A 25 16.428 -7.475 4.325 1.00 0.00 N ATOM 419 CA GLU A 25 17.776 -7.427 3.763 1.00 0.00 C ATOM 420 C GLU A 25 18.485 -6.166 4.224 1.00 0.00 C ATOM 421 O GLU A 25 19.717 -6.107 4.255 1.00 0.00 O ATOM 422 CB GLU A 25 17.771 -7.482 2.228 1.00 0.00 C ATOM 423 CG GLU A 25 17.362 -8.881 1.747 1.00 0.00 C ATOM 424 CD GLU A 25 17.360 -8.953 0.226 1.00 0.00 C ATOM 425 OE1 GLU A 25 17.618 -7.950 -0.409 1.00 0.00 O ATOM 426 OE2 GLU A 25 17.106 -10.013 -0.288 1.00 0.00 O ATOM 0 H GLU A 25 15.679 -7.417 3.635 1.00 0.00 H new ATOM 0 HA GLU A 25 18.307 -8.308 4.123 1.00 0.00 H new ATOM 0 HB2 GLU A 25 17.080 -6.738 1.833 1.00 0.00 H new ATOM 0 HB3 GLU A 25 18.761 -7.233 1.845 1.00 0.00 H new ATOM 0 HG2 GLU A 25 18.050 -9.624 2.149 1.00 0.00 H new ATOM 0 HG3 GLU A 25 16.371 -9.126 2.128 1.00 0.00 H new ATOM 433 N VAL A 26 17.708 -5.156 4.576 1.00 0.00 N ATOM 434 CA VAL A 26 18.262 -3.897 5.040 1.00 0.00 C ATOM 435 C VAL A 26 18.145 -3.820 6.553 1.00 0.00 C ATOM 436 O VAL A 26 17.331 -4.531 7.155 1.00 0.00 O ATOM 437 CB VAL A 26 17.539 -2.713 4.374 1.00 0.00 C ATOM 438 CG1 VAL A 26 17.845 -2.708 2.874 1.00 0.00 C ATOM 439 CG2 VAL A 26 16.024 -2.843 4.571 1.00 0.00 C ATOM 0 H VAL A 26 16.689 -5.184 4.549 1.00 0.00 H new ATOM 0 HA VAL A 26 19.315 -3.843 4.764 1.00 0.00 H new ATOM 0 HB VAL A 26 17.886 -1.786 4.830 1.00 0.00 H new ATOM 0 HG11 VAL A 26 17.333 -1.870 2.401 1.00 0.00 H new ATOM 0 HG12 VAL A 26 18.920 -2.609 2.722 1.00 0.00 H new ATOM 0 HG13 VAL A 26 17.500 -3.641 2.429 1.00 0.00 H new ATOM 0 HG21 VAL A 26 15.522 -2.000 4.096 1.00 0.00 H new ATOM 0 HG22 VAL A 26 15.677 -3.773 4.121 1.00 0.00 H new ATOM 0 HG23 VAL A 26 15.795 -2.848 5.637 1.00 0.00 H new ATOM 449 N SER A 27 19.054 -3.097 7.177 1.00 0.00 N ATOM 450 CA SER A 27 19.145 -3.088 8.628 1.00 0.00 C ATOM 451 C SER A 27 17.773 -2.864 9.263 1.00 0.00 C ATOM 452 O SER A 27 17.132 -1.830 9.031 1.00 0.00 O ATOM 453 CB SER A 27 20.118 -1.988 9.073 1.00 0.00 C ATOM 454 OG SER A 27 21.292 -2.029 8.250 1.00 0.00 O ATOM 0 H SER A 27 19.740 -2.508 6.705 1.00 0.00 H new ATOM 0 HA SER A 27 19.514 -4.059 8.959 1.00 0.00 H new ATOM 0 HB2 SER A 27 19.640 -1.011 8.996 1.00 0.00 H new ATOM 0 HB3 SER A 27 20.389 -2.128 10.119 1.00 0.00 H new ATOM 0 HG SER A 27 21.914 -1.326 8.532 1.00 0.00 H new ATOM 460 N ARG A 28 17.357 -3.789 10.130 1.00 0.00 N ATOM 461 CA ARG A 28 16.096 -3.631 10.835 1.00 0.00 C ATOM 462 C ARG A 28 16.162 -2.456 11.773 1.00 0.00 C ATOM 463 O ARG A 28 15.143 -1.921 12.165 1.00 0.00 O ATOM 464 CB ARG A 28 15.640 -4.889 11.583 1.00 0.00 C ATOM 465 CG ARG A 28 15.228 -5.983 10.584 1.00 0.00 C ATOM 466 CD ARG A 28 14.333 -7.005 11.297 1.00 0.00 C ATOM 467 NE ARG A 28 14.998 -7.555 12.478 1.00 0.00 N ATOM 468 CZ ARG A 28 14.397 -7.604 13.679 1.00 0.00 C ATOM 469 NH1 ARG A 28 13.191 -7.125 13.836 1.00 0.00 N ATOM 470 NH2 ARG A 28 15.016 -8.134 14.687 1.00 0.00 N ATOM 0 H ARG A 28 17.870 -4.641 10.355 1.00 0.00 H new ATOM 0 HA ARG A 28 15.344 -3.449 10.068 1.00 0.00 H new ATOM 0 HB2 ARG A 28 16.446 -5.254 12.220 1.00 0.00 H new ATOM 0 HB3 ARG A 28 14.801 -4.648 12.236 1.00 0.00 H new ATOM 0 HG2 ARG A 28 14.696 -5.541 9.741 1.00 0.00 H new ATOM 0 HG3 ARG A 28 16.113 -6.475 10.180 1.00 0.00 H new ATOM 0 HD2 ARG A 28 13.397 -6.530 11.591 1.00 0.00 H new ATOM 0 HD3 ARG A 28 14.079 -7.812 10.610 1.00 0.00 H new ATOM 0 HE ARG A 28 15.949 -7.913 12.387 1.00 0.00 H new ATOM 0 HH11 ARG A 28 12.700 -6.711 13.044 1.00 0.00 H new ATOM 0 HH12 ARG A 28 12.741 -7.166 14.751 1.00 0.00 H new ATOM 0 HH21 ARG A 28 15.956 -8.512 14.567 1.00 0.00 H new ATOM 0 HH22 ARG A 28 14.563 -8.173 15.600 1.00 0.00 H new ATOM 484 N GLN A 29 17.371 -2.026 12.092 1.00 0.00 N ATOM 485 CA GLN A 29 17.543 -0.873 12.959 1.00 0.00 C ATOM 486 C GLN A 29 16.732 0.290 12.398 1.00 0.00 C ATOM 487 O GLN A 29 16.028 0.982 13.128 1.00 0.00 O ATOM 488 CB GLN A 29 19.023 -0.487 13.038 1.00 0.00 C ATOM 489 CG GLN A 29 19.803 -1.584 13.775 1.00 0.00 C ATOM 490 CD GLN A 29 21.286 -1.241 13.803 1.00 0.00 C ATOM 491 OE1 GLN A 29 21.932 -1.179 12.749 1.00 0.00 O ATOM 492 NE2 GLN A 29 21.866 -1.007 14.936 1.00 0.00 N ATOM 0 H GLN A 29 18.239 -2.452 11.768 1.00 0.00 H new ATOM 0 HA GLN A 29 17.195 -1.116 13.963 1.00 0.00 H new ATOM 0 HB2 GLN A 29 19.428 -0.350 12.035 1.00 0.00 H new ATOM 0 HB3 GLN A 29 19.134 0.464 13.559 1.00 0.00 H new ATOM 0 HG2 GLN A 29 19.426 -1.688 14.793 1.00 0.00 H new ATOM 0 HG3 GLN A 29 19.653 -2.543 13.280 1.00 0.00 H new ATOM 0 HE21 GLN A 29 21.331 -1.059 15.803 1.00 0.00 H new ATOM 0 HE22 GLN A 29 22.858 -0.771 14.962 1.00 0.00 H new ATOM 501 N THR A 30 16.726 0.400 11.080 1.00 0.00 N ATOM 502 CA THR A 30 15.897 1.375 10.391 1.00 0.00 C ATOM 503 C THR A 30 14.419 1.101 10.715 1.00 0.00 C ATOM 504 O THR A 30 13.656 2.012 11.051 1.00 0.00 O ATOM 505 CB THR A 30 16.133 1.241 8.877 1.00 0.00 C ATOM 506 OG1 THR A 30 17.369 0.553 8.656 1.00 0.00 O ATOM 507 CG2 THR A 30 16.209 2.630 8.234 1.00 0.00 C ATOM 0 H THR A 30 17.292 -0.180 10.461 1.00 0.00 H new ATOM 0 HA THR A 30 16.153 2.384 10.714 1.00 0.00 H new ATOM 0 HB THR A 30 15.309 0.684 8.432 1.00 0.00 H new ATOM 0 HG1 THR A 30 17.185 -0.368 8.375 1.00 0.00 H new ATOM 0 HG21 THR A 30 16.376 2.526 7.162 1.00 0.00 H new ATOM 0 HG22 THR A 30 15.273 3.162 8.405 1.00 0.00 H new ATOM 0 HG23 THR A 30 17.032 3.191 8.677 1.00 0.00 H new ATOM 515 N ILE A 31 14.059 -0.174 10.651 1.00 0.00 N ATOM 516 CA ILE A 31 12.716 -0.653 10.967 1.00 0.00 C ATOM 517 C ILE A 31 12.420 -0.450 12.454 1.00 0.00 C ATOM 518 O ILE A 31 11.272 -0.235 12.839 1.00 0.00 O ATOM 519 CB ILE A 31 12.561 -2.148 10.598 1.00 0.00 C ATOM 520 CG1 ILE A 31 12.985 -2.384 9.146 1.00 0.00 C ATOM 521 CG2 ILE A 31 11.101 -2.577 10.756 1.00 0.00 C ATOM 522 CD1 ILE A 31 12.129 -1.547 8.181 1.00 0.00 C ATOM 0 H ILE A 31 14.700 -0.917 10.374 1.00 0.00 H new ATOM 0 HA ILE A 31 12.003 -0.077 10.377 1.00 0.00 H new ATOM 0 HB ILE A 31 13.195 -2.732 11.265 1.00 0.00 H new ATOM 0 HG12 ILE A 31 14.037 -2.125 9.023 1.00 0.00 H new ATOM 0 HG13 ILE A 31 12.887 -3.442 8.902 1.00 0.00 H new ATOM 0 HG21 ILE A 31 11.001 -3.630 10.494 1.00 0.00 H new ATOM 0 HG22 ILE A 31 10.788 -2.429 11.789 1.00 0.00 H new ATOM 0 HG23 ILE A 31 10.472 -1.978 10.097 1.00 0.00 H new ATOM 0 HD11 ILE A 31 12.450 -1.732 7.156 1.00 0.00 H new ATOM 0 HD12 ILE A 31 11.081 -1.826 8.289 1.00 0.00 H new ATOM 0 HD13 ILE A 31 12.249 -0.489 8.413 1.00 0.00 H new ATOM 534 N ASN A 32 13.432 -0.724 13.283 1.00 0.00 N ATOM 535 CA ASN A 32 13.294 -0.811 14.748 1.00 0.00 C ATOM 536 C ASN A 32 12.328 0.220 15.305 1.00 0.00 C ATOM 537 O ASN A 32 11.690 -0.026 16.328 1.00 0.00 O ATOM 538 CB ASN A 32 14.663 -0.686 15.443 1.00 0.00 C ATOM 539 CG ASN A 32 14.822 0.691 16.086 1.00 0.00 C ATOM 540 OD1 ASN A 32 14.513 0.863 17.262 1.00 0.00 O ATOM 541 ND2 ASN A 32 15.275 1.680 15.385 1.00 0.00 N ATOM 0 H ASN A 32 14.383 -0.894 12.956 1.00 0.00 H new ATOM 0 HA ASN A 32 12.878 -1.796 14.960 1.00 0.00 H new ATOM 0 HB2 ASN A 32 14.762 -1.461 16.203 1.00 0.00 H new ATOM 0 HB3 ASN A 32 15.460 -0.848 14.717 1.00 0.00 H new ATOM 0 HD21 ASN A 32 15.375 2.602 15.809 1.00 0.00 H new ATOM 0 HD22 ASN A 32 15.532 1.537 14.408 1.00 0.00 H new ATOM 548 N GLY A 33 12.108 1.299 14.567 1.00 0.00 N ATOM 549 CA GLY A 33 11.072 2.252 14.934 1.00 0.00 C ATOM 550 C GLY A 33 9.775 1.496 15.234 1.00 0.00 C ATOM 551 O GLY A 33 8.933 1.958 16.022 1.00 0.00 O ATOM 0 H GLY A 33 12.626 1.534 13.721 1.00 0.00 H new ATOM 0 HA2 GLY A 33 11.382 2.826 15.807 1.00 0.00 H new ATOM 0 HA3 GLY A 33 10.913 2.964 14.124 1.00 0.00 H new ATOM 555 N ILE A 34 9.675 0.276 14.698 1.00 0.00 N ATOM 556 CA ILE A 34 8.545 -0.598 14.977 1.00 0.00 C ATOM 557 C ILE A 34 8.443 -0.884 16.458 1.00 0.00 C ATOM 558 O ILE A 34 7.372 -1.143 16.956 1.00 0.00 O ATOM 559 CB ILE A 34 8.662 -1.919 14.192 1.00 0.00 C ATOM 560 CG1 ILE A 34 10.047 -2.564 14.441 1.00 0.00 C ATOM 561 CG2 ILE A 34 8.450 -1.665 12.700 1.00 0.00 C ATOM 562 CD1 ILE A 34 10.205 -3.839 13.598 1.00 0.00 C ATOM 0 H ILE A 34 10.369 -0.125 14.067 1.00 0.00 H new ATOM 0 HA ILE A 34 7.639 -0.083 14.656 1.00 0.00 H new ATOM 0 HB ILE A 34 7.891 -2.607 14.539 1.00 0.00 H new ATOM 0 HG12 ILE A 34 10.836 -1.855 14.190 1.00 0.00 H new ATOM 0 HG13 ILE A 34 10.159 -2.804 15.498 1.00 0.00 H new ATOM 0 HG21 ILE A 34 8.535 -2.605 12.155 1.00 0.00 H new ATOM 0 HG22 ILE A 34 7.458 -1.241 12.540 1.00 0.00 H new ATOM 0 HG23 ILE A 34 9.205 -0.967 12.339 1.00 0.00 H new ATOM 0 HD11 ILE A 34 11.184 -4.280 13.785 1.00 0.00 H new ATOM 0 HD12 ILE A 34 9.428 -4.553 13.869 1.00 0.00 H new ATOM 0 HD13 ILE A 34 10.115 -3.590 12.541 1.00 0.00 H new ATOM 574 N GLU A 35 9.541 -0.747 17.173 1.00 0.00 N ATOM 575 CA GLU A 35 9.518 -0.949 18.607 1.00 0.00 C ATOM 576 C GLU A 35 8.514 0.001 19.231 1.00 0.00 C ATOM 577 O GLU A 35 7.714 -0.392 20.076 1.00 0.00 O ATOM 578 CB GLU A 35 10.903 -0.657 19.193 1.00 0.00 C ATOM 579 CG GLU A 35 10.889 -0.865 20.716 1.00 0.00 C ATOM 580 CD GLU A 35 12.223 -0.482 21.302 1.00 0.00 C ATOM 581 OE1 GLU A 35 12.698 0.590 20.986 1.00 0.00 O ATOM 582 OE2 GLU A 35 12.762 -1.255 22.049 1.00 0.00 O ATOM 0 H GLU A 35 10.453 -0.499 16.789 1.00 0.00 H new ATOM 0 HA GLU A 35 9.240 -1.981 18.819 1.00 0.00 H new ATOM 0 HB2 GLU A 35 11.645 -1.312 18.736 1.00 0.00 H new ATOM 0 HB3 GLU A 35 11.196 0.367 18.961 1.00 0.00 H new ATOM 0 HG2 GLU A 35 10.099 -0.264 21.166 1.00 0.00 H new ATOM 0 HG3 GLU A 35 10.667 -1.907 20.947 1.00 0.00 H new ATOM 589 N LYS A 36 8.567 1.254 18.812 1.00 0.00 N ATOM 590 CA LYS A 36 7.673 2.263 19.351 1.00 0.00 C ATOM 591 C LYS A 36 6.452 2.412 18.453 1.00 0.00 C ATOM 592 O LYS A 36 5.399 2.889 18.884 1.00 0.00 O ATOM 593 CB LYS A 36 8.422 3.596 19.468 1.00 0.00 C ATOM 594 CG LYS A 36 9.703 3.391 20.310 1.00 0.00 C ATOM 595 CD LYS A 36 9.334 2.961 21.742 1.00 0.00 C ATOM 596 CE LYS A 36 10.600 2.699 22.583 1.00 0.00 C ATOM 597 NZ LYS A 36 11.832 2.796 21.744 1.00 0.00 N ATOM 0 H LYS A 36 9.217 1.595 18.104 1.00 0.00 H new ATOM 0 HA LYS A 36 7.334 1.958 20.341 1.00 0.00 H new ATOM 0 HB2 LYS A 36 8.680 3.969 18.477 1.00 0.00 H new ATOM 0 HB3 LYS A 36 7.783 4.346 19.934 1.00 0.00 H new ATOM 0 HG2 LYS A 36 10.335 2.633 19.846 1.00 0.00 H new ATOM 0 HG3 LYS A 36 10.281 4.315 20.337 1.00 0.00 H new ATOM 0 HD2 LYS A 36 8.733 3.737 22.215 1.00 0.00 H new ATOM 0 HD3 LYS A 36 8.722 2.060 21.709 1.00 0.00 H new ATOM 0 HE2 LYS A 36 10.654 3.420 23.399 1.00 0.00 H new ATOM 0 HE3 LYS A 36 10.541 1.709 23.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 12.673 2.734 22.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 11.845 2.017 21.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 11.837 3.705 21.239 1.00 0.00 H new ATOM 611 N ASN A 37 6.576 1.923 17.229 1.00 0.00 N ATOM 612 CA ASN A 37 5.458 1.891 16.284 1.00 0.00 C ATOM 613 C ASN A 37 4.751 0.544 16.353 1.00 0.00 C ATOM 614 O ASN A 37 4.032 0.175 15.427 1.00 0.00 O ATOM 615 CB ASN A 37 5.945 2.145 14.845 1.00 0.00 C ATOM 616 CG ASN A 37 4.809 2.691 13.980 1.00 0.00 C ATOM 617 OD1 ASN A 37 4.964 3.728 13.331 1.00 0.00 O ATOM 618 ND2 ASN A 37 3.679 2.055 13.924 1.00 0.00 N ATOM 0 H ASN A 37 7.445 1.538 16.859 1.00 0.00 H new ATOM 0 HA ASN A 37 4.760 2.682 16.560 1.00 0.00 H new ATOM 0 HB2 ASN A 37 6.774 2.853 14.856 1.00 0.00 H new ATOM 0 HB3 ASN A 37 6.323 1.218 14.415 1.00 0.00 H new ATOM 0 HD21 ASN A 37 2.920 2.413 13.344 1.00 0.00 H new ATOM 0 HD22 ASN A 37 3.550 1.197 14.460 1.00 0.00 H new ATOM 625 N LYS A 38 5.108 -0.262 17.350 1.00 0.00 N ATOM 626 CA LYS A 38 4.690 -1.670 17.407 1.00 0.00 C ATOM 627 C LYS A 38 3.179 -1.886 17.466 1.00 0.00 C ATOM 628 O LYS A 38 2.718 -2.994 17.773 1.00 0.00 O ATOM 629 CB LYS A 38 5.409 -2.443 18.517 1.00 0.00 C ATOM 630 CG LYS A 38 5.655 -3.880 18.036 1.00 0.00 C ATOM 631 CD LYS A 38 6.829 -3.921 17.041 1.00 0.00 C ATOM 632 CE LYS A 38 6.863 -5.282 16.336 1.00 0.00 C ATOM 633 NZ LYS A 38 6.429 -6.347 17.276 1.00 0.00 N ATOM 0 H LYS A 38 5.688 0.033 18.135 1.00 0.00 H new ATOM 0 HA LYS A 38 5.002 -2.083 16.448 1.00 0.00 H new ATOM 0 HB2 LYS A 38 6.355 -1.960 18.763 1.00 0.00 H new ATOM 0 HB3 LYS A 38 4.807 -2.446 19.426 1.00 0.00 H new ATOM 0 HG2 LYS A 38 5.871 -4.524 18.889 1.00 0.00 H new ATOM 0 HG3 LYS A 38 4.755 -4.270 17.562 1.00 0.00 H new ATOM 0 HD2 LYS A 38 6.723 -3.123 16.306 1.00 0.00 H new ATOM 0 HD3 LYS A 38 7.769 -3.749 17.566 1.00 0.00 H new ATOM 0 HE2 LYS A 38 6.210 -5.266 15.463 1.00 0.00 H new ATOM 0 HE3 LYS A 38 7.871 -5.490 15.976 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 6.690 -7.277 16.891 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 6.895 -6.209 18.196 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 5.397 -6.301 17.400 1.00 0.00 H new ATOM 647 N TYR A 39 2.442 -0.941 16.955 1.00 0.00 N ATOM 648 CA TYR A 39 1.034 -1.133 16.695 1.00 0.00 C ATOM 649 C TYR A 39 0.963 -1.866 15.369 1.00 0.00 C ATOM 650 O TYR A 39 2.013 -2.102 14.747 1.00 0.00 O ATOM 651 CB TYR A 39 0.329 0.228 16.565 1.00 0.00 C ATOM 652 CG TYR A 39 0.788 1.151 17.673 1.00 0.00 C ATOM 653 CD1 TYR A 39 0.298 0.992 18.976 1.00 0.00 C ATOM 654 CD2 TYR A 39 1.712 2.164 17.394 1.00 0.00 C ATOM 655 CE1 TYR A 39 0.736 1.846 19.995 1.00 0.00 C ATOM 656 CE2 TYR A 39 2.147 3.018 18.410 1.00 0.00 C ATOM 657 CZ TYR A 39 1.660 2.861 19.710 1.00 0.00 C ATOM 658 OH TYR A 39 2.096 3.701 20.713 1.00 0.00 O ATOM 0 H TYR A 39 2.794 -0.017 16.706 1.00 0.00 H new ATOM 0 HA TYR A 39 0.549 -1.685 17.500 1.00 0.00 H new ATOM 0 HB2 TYR A 39 0.551 0.672 15.594 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -0.752 0.094 16.615 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -0.416 0.212 19.194 1.00 0.00 H new ATOM 0 HD2 TYR A 39 2.090 2.286 16.390 1.00 0.00 H new ATOM 0 HE1 TYR A 39 0.362 1.723 21.001 1.00 0.00 H new ATOM 0 HE2 TYR A 39 2.860 3.799 18.191 1.00 0.00 H new ATOM 0 HH TYR A 39 2.735 4.346 20.345 1.00 0.00 H new ATOM 668 N ASN A 40 -0.223 -2.166 14.873 1.00 0.00 N ATOM 669 CA ASN A 40 -0.273 -2.726 13.531 1.00 0.00 C ATOM 670 C ASN A 40 0.323 -1.677 12.605 1.00 0.00 C ATOM 671 O ASN A 40 0.376 -0.496 12.980 1.00 0.00 O ATOM 672 CB ASN A 40 -1.702 -3.074 13.111 1.00 0.00 C ATOM 673 CG ASN A 40 -1.672 -4.174 12.056 1.00 0.00 C ATOM 674 OD1 ASN A 40 -2.214 -4.009 10.960 1.00 0.00 O ATOM 675 ND2 ASN A 40 -1.064 -5.296 12.315 1.00 0.00 N ATOM 0 H ASN A 40 -1.119 -2.042 15.345 1.00 0.00 H new ATOM 0 HA ASN A 40 0.287 -3.660 13.488 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -2.276 -3.403 13.977 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -2.201 -2.190 12.715 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -1.037 -6.035 11.613 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -0.615 -5.436 13.220 1.00 0.00 H new ATOM 682 N PRO A 41 0.982 -2.075 11.550 1.00 0.00 N ATOM 683 CA PRO A 41 1.838 -1.100 10.810 1.00 0.00 C ATOM 684 C PRO A 41 1.091 0.189 10.475 1.00 0.00 C ATOM 685 O PRO A 41 0.054 0.179 9.818 1.00 0.00 O ATOM 686 CB PRO A 41 2.222 -1.854 9.529 1.00 0.00 C ATOM 687 CG PRO A 41 2.129 -3.293 9.906 1.00 0.00 C ATOM 688 CD PRO A 41 0.948 -3.383 10.864 1.00 0.00 C ATOM 0 HA PRO A 41 2.697 -0.783 11.401 1.00 0.00 H new ATOM 0 HB2 PRO A 41 1.546 -1.613 8.708 1.00 0.00 H new ATOM 0 HB3 PRO A 41 3.228 -1.593 9.200 1.00 0.00 H new ATOM 0 HG2 PRO A 41 1.972 -3.920 9.028 1.00 0.00 H new ATOM 0 HG3 PRO A 41 3.048 -3.635 10.382 1.00 0.00 H new ATOM 0 HD2 PRO A 41 0.008 -3.537 10.334 1.00 0.00 H new ATOM 0 HD3 PRO A 41 1.058 -4.210 11.565 1.00 0.00 H new ATOM 696 N SER A 42 1.701 1.296 10.856 1.00 0.00 N ATOM 697 CA SER A 42 1.203 2.620 10.542 1.00 0.00 C ATOM 698 C SER A 42 1.765 3.036 9.193 1.00 0.00 C ATOM 699 O SER A 42 2.721 2.431 8.723 1.00 0.00 O ATOM 700 CB SER A 42 1.638 3.593 11.638 1.00 0.00 C ATOM 701 OG SER A 42 1.569 2.920 12.906 1.00 0.00 O ATOM 0 H SER A 42 2.565 1.300 11.398 1.00 0.00 H new ATOM 0 HA SER A 42 0.114 2.624 10.492 1.00 0.00 H new ATOM 0 HB2 SER A 42 2.653 3.943 11.451 1.00 0.00 H new ATOM 0 HB3 SER A 42 0.993 4.472 11.641 1.00 0.00 H new ATOM 0 HG SER A 42 1.675 3.573 13.629 1.00 0.00 H new ATOM 707 N LEU A 43 1.200 4.059 8.575 1.00 0.00 N ATOM 708 CA LEU A 43 1.636 4.434 7.229 1.00 0.00 C ATOM 709 C LEU A 43 3.115 4.771 7.188 1.00 0.00 C ATOM 710 O LEU A 43 3.827 4.304 6.306 1.00 0.00 O ATOM 711 CB LEU A 43 0.807 5.599 6.685 1.00 0.00 C ATOM 712 CG LEU A 43 -0.492 5.072 6.054 1.00 0.00 C ATOM 713 CD1 LEU A 43 -1.297 4.263 7.077 1.00 0.00 C ATOM 714 CD2 LEU A 43 -1.334 6.255 5.571 1.00 0.00 C ATOM 0 H LEU A 43 0.456 4.636 8.967 1.00 0.00 H new ATOM 0 HA LEU A 43 1.475 3.567 6.589 1.00 0.00 H new ATOM 0 HB2 LEU A 43 0.573 6.296 7.490 1.00 0.00 H new ATOM 0 HB3 LEU A 43 1.384 6.151 5.943 1.00 0.00 H new ATOM 0 HG LEU A 43 -0.238 4.425 5.215 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -2.213 3.898 6.613 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -0.702 3.417 7.421 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -1.549 4.898 7.926 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -2.256 5.886 5.123 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -1.574 6.900 6.416 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -0.772 6.823 4.830 1.00 0.00 H new ATOM 726 N GLN A 44 3.594 5.495 8.185 1.00 0.00 N ATOM 727 CA GLN A 44 5.016 5.818 8.259 1.00 0.00 C ATOM 728 C GLN A 44 5.846 4.556 7.993 1.00 0.00 C ATOM 729 O GLN A 44 6.513 4.437 6.966 1.00 0.00 O ATOM 730 CB GLN A 44 5.355 6.377 9.656 1.00 0.00 C ATOM 731 CG GLN A 44 4.588 7.683 9.903 1.00 0.00 C ATOM 732 CD GLN A 44 5.082 8.765 8.960 1.00 0.00 C ATOM 733 OE1 GLN A 44 6.259 9.131 9.003 1.00 0.00 O ATOM 734 NE2 GLN A 44 4.269 9.291 8.107 1.00 0.00 N ATOM 0 H GLN A 44 3.030 5.869 8.948 1.00 0.00 H new ATOM 0 HA GLN A 44 5.251 6.571 7.506 1.00 0.00 H new ATOM 0 HB2 GLN A 44 5.097 5.645 10.421 1.00 0.00 H new ATOM 0 HB3 GLN A 44 6.427 6.556 9.734 1.00 0.00 H new ATOM 0 HG2 GLN A 44 3.520 7.520 9.755 1.00 0.00 H new ATOM 0 HG3 GLN A 44 4.721 8.002 10.937 1.00 0.00 H new ATOM 0 HE21 GLN A 44 3.296 8.986 8.074 1.00 0.00 H new ATOM 0 HE22 GLN A 44 4.599 10.012 7.465 1.00 0.00 H new ATOM 743 N LEU A 45 5.759 3.603 8.909 1.00 0.00 N ATOM 744 CA LEU A 45 6.445 2.324 8.756 1.00 0.00 C ATOM 745 C LEU A 45 5.875 1.535 7.570 1.00 0.00 C ATOM 746 O LEU A 45 6.616 0.908 6.804 1.00 0.00 O ATOM 747 CB LEU A 45 6.321 1.506 10.056 1.00 0.00 C ATOM 748 CG LEU A 45 7.431 0.436 10.155 1.00 0.00 C ATOM 749 CD1 LEU A 45 7.259 -0.641 9.079 1.00 0.00 C ATOM 750 CD2 LEU A 45 8.817 1.086 10.024 1.00 0.00 C ATOM 0 H LEU A 45 5.219 3.690 9.770 1.00 0.00 H new ATOM 0 HA LEU A 45 7.499 2.517 8.555 1.00 0.00 H new ATOM 0 HB2 LEU A 45 6.379 2.174 10.915 1.00 0.00 H new ATOM 0 HB3 LEU A 45 5.344 1.024 10.093 1.00 0.00 H new ATOM 0 HG LEU A 45 7.349 -0.038 11.133 1.00 0.00 H new ATOM 0 HD11 LEU A 45 8.055 -1.380 9.174 1.00 0.00 H new ATOM 0 HD12 LEU A 45 6.293 -1.130 9.205 1.00 0.00 H new ATOM 0 HD13 LEU A 45 7.307 -0.180 8.092 1.00 0.00 H new ATOM 0 HD21 LEU A 45 9.587 0.318 10.096 1.00 0.00 H new ATOM 0 HD22 LEU A 45 8.894 1.588 9.059 1.00 0.00 H new ATOM 0 HD23 LEU A 45 8.955 1.814 10.824 1.00 0.00 H new ATOM 762 N ALA A 46 4.547 1.527 7.454 1.00 0.00 N ATOM 763 CA ALA A 46 3.879 0.727 6.433 1.00 0.00 C ATOM 764 C ALA A 46 4.310 1.115 5.043 1.00 0.00 C ATOM 765 O ALA A 46 4.387 0.269 4.180 1.00 0.00 O ATOM 766 CB ALA A 46 2.355 0.795 6.552 1.00 0.00 C ATOM 0 H ALA A 46 3.918 2.063 8.052 1.00 0.00 H new ATOM 0 HA ALA A 46 4.185 -0.304 6.609 1.00 0.00 H new ATOM 0 HB1 ALA A 46 1.901 0.184 5.771 1.00 0.00 H new ATOM 0 HB2 ALA A 46 2.049 0.421 7.529 1.00 0.00 H new ATOM 0 HB3 ALA A 46 2.027 1.829 6.440 1.00 0.00 H new ATOM 772 N LEU A 47 4.613 2.382 4.829 1.00 0.00 N ATOM 773 CA LEU A 47 5.038 2.826 3.506 1.00 0.00 C ATOM 774 C LEU A 47 6.301 2.101 3.099 1.00 0.00 C ATOM 775 O LEU A 47 6.434 1.656 1.962 1.00 0.00 O ATOM 776 CB LEU A 47 5.278 4.344 3.490 1.00 0.00 C ATOM 777 CG LEU A 47 3.937 5.090 3.403 1.00 0.00 C ATOM 778 CD1 LEU A 47 4.154 6.564 3.743 1.00 0.00 C ATOM 779 CD2 LEU A 47 3.389 4.992 1.972 1.00 0.00 C ATOM 0 H LEU A 47 4.575 3.114 5.538 1.00 0.00 H new ATOM 0 HA LEU A 47 4.245 2.595 2.795 1.00 0.00 H new ATOM 0 HB2 LEU A 47 5.813 4.645 4.391 1.00 0.00 H new ATOM 0 HB3 LEU A 47 5.908 4.612 2.641 1.00 0.00 H new ATOM 0 HG LEU A 47 3.231 4.644 4.104 1.00 0.00 H new ATOM 0 HD11 LEU A 47 3.204 7.095 3.682 1.00 0.00 H new ATOM 0 HD12 LEU A 47 4.553 6.649 4.754 1.00 0.00 H new ATOM 0 HD13 LEU A 47 4.860 7.000 3.036 1.00 0.00 H new ATOM 0 HD21 LEU A 47 2.438 5.521 1.910 1.00 0.00 H new ATOM 0 HD22 LEU A 47 4.100 5.441 1.279 1.00 0.00 H new ATOM 0 HD23 LEU A 47 3.239 3.944 1.711 1.00 0.00 H new ATOM 791 N LYS A 48 7.206 1.940 4.042 1.00 0.00 N ATOM 792 CA LYS A 48 8.454 1.247 3.767 1.00 0.00 C ATOM 793 C LYS A 48 8.143 -0.198 3.377 1.00 0.00 C ATOM 794 O LYS A 48 8.610 -0.695 2.344 1.00 0.00 O ATOM 795 CB LYS A 48 9.330 1.271 5.025 1.00 0.00 C ATOM 796 CG LYS A 48 9.490 2.724 5.516 1.00 0.00 C ATOM 797 CD LYS A 48 10.265 3.573 4.494 1.00 0.00 C ATOM 798 CE LYS A 48 10.078 5.064 4.833 1.00 0.00 C ATOM 799 NZ LYS A 48 10.363 5.292 6.274 1.00 0.00 N ATOM 0 H LYS A 48 7.105 2.276 5.000 1.00 0.00 H new ATOM 0 HA LYS A 48 8.985 1.737 2.951 1.00 0.00 H new ATOM 0 HB2 LYS A 48 8.878 0.660 5.807 1.00 0.00 H new ATOM 0 HB3 LYS A 48 10.307 0.840 4.808 1.00 0.00 H new ATOM 0 HG2 LYS A 48 8.507 3.163 5.687 1.00 0.00 H new ATOM 0 HG3 LYS A 48 10.014 2.732 6.472 1.00 0.00 H new ATOM 0 HD2 LYS A 48 11.323 3.313 4.514 1.00 0.00 H new ATOM 0 HD3 LYS A 48 9.906 3.369 3.485 1.00 0.00 H new ATOM 0 HE2 LYS A 48 10.744 5.672 4.221 1.00 0.00 H new ATOM 0 HE3 LYS A 48 9.059 5.374 4.601 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 10.553 6.302 6.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 9.542 5.000 6.841 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 11.194 4.734 6.556 1.00 0.00 H new ATOM 813 N ILE A 49 7.264 -0.824 4.150 1.00 0.00 N ATOM 814 CA ILE A 49 6.758 -2.157 3.839 1.00 0.00 C ATOM 815 C ILE A 49 5.924 -2.115 2.543 1.00 0.00 C ATOM 816 O ILE A 49 6.005 -3.014 1.698 1.00 0.00 O ATOM 817 CB ILE A 49 5.912 -2.692 5.020 1.00 0.00 C ATOM 818 CG1 ILE A 49 6.802 -2.929 6.263 1.00 0.00 C ATOM 819 CG2 ILE A 49 5.233 -4.010 4.631 1.00 0.00 C ATOM 820 CD1 ILE A 49 7.807 -4.071 6.004 1.00 0.00 C ATOM 0 H ILE A 49 6.882 -0.424 5.007 1.00 0.00 H new ATOM 0 HA ILE A 49 7.599 -2.833 3.685 1.00 0.00 H new ATOM 0 HB ILE A 49 5.154 -1.946 5.258 1.00 0.00 H new ATOM 0 HG12 ILE A 49 7.340 -2.014 6.511 1.00 0.00 H new ATOM 0 HG13 ILE A 49 6.178 -3.175 7.122 1.00 0.00 H new ATOM 0 HG21 ILE A 49 4.641 -4.376 5.470 1.00 0.00 H new ATOM 0 HG22 ILE A 49 4.582 -3.844 3.773 1.00 0.00 H new ATOM 0 HG23 ILE A 49 5.992 -4.748 4.373 1.00 0.00 H new ATOM 0 HD11 ILE A 49 8.423 -4.221 6.890 1.00 0.00 H new ATOM 0 HD12 ILE A 49 7.264 -4.989 5.779 1.00 0.00 H new ATOM 0 HD13 ILE A 49 8.444 -3.810 5.159 1.00 0.00 H new ATOM 832 N ALA A 50 5.087 -1.090 2.435 1.00 0.00 N ATOM 833 CA ALA A 50 4.169 -0.933 1.312 1.00 0.00 C ATOM 834 C ALA A 50 4.917 -0.916 0.006 1.00 0.00 C ATOM 835 O ALA A 50 4.435 -1.431 -0.990 1.00 0.00 O ATOM 836 CB ALA A 50 3.344 0.350 1.452 1.00 0.00 C ATOM 0 H ALA A 50 5.025 -0.342 3.126 1.00 0.00 H new ATOM 0 HA ALA A 50 3.492 -1.787 1.320 1.00 0.00 H new ATOM 0 HB1 ALA A 50 2.668 0.443 0.602 1.00 0.00 H new ATOM 0 HB2 ALA A 50 2.764 0.311 2.374 1.00 0.00 H new ATOM 0 HB3 ALA A 50 4.012 1.211 1.480 1.00 0.00 H new ATOM 842 N TYR A 51 6.105 -0.347 0.010 1.00 0.00 N ATOM 843 CA TYR A 51 6.906 -0.337 -1.202 1.00 0.00 C ATOM 844 C TYR A 51 7.131 -1.774 -1.638 1.00 0.00 C ATOM 845 O TYR A 51 7.044 -2.106 -2.825 1.00 0.00 O ATOM 846 CB TYR A 51 8.265 0.328 -0.951 1.00 0.00 C ATOM 847 CG TYR A 51 8.101 1.766 -0.499 1.00 0.00 C ATOM 848 CD1 TYR A 51 6.969 2.514 -0.868 1.00 0.00 C ATOM 849 CD2 TYR A 51 9.097 2.356 0.285 1.00 0.00 C ATOM 850 CE1 TYR A 51 6.844 3.837 -0.448 1.00 0.00 C ATOM 851 CE2 TYR A 51 8.968 3.678 0.702 1.00 0.00 C ATOM 852 CZ TYR A 51 7.842 4.419 0.337 1.00 0.00 C ATOM 853 OH TYR A 51 7.720 5.730 0.749 1.00 0.00 O ATOM 0 H TYR A 51 6.532 0.106 0.818 1.00 0.00 H new ATOM 0 HA TYR A 51 6.382 0.227 -1.973 1.00 0.00 H new ATOM 0 HB2 TYR A 51 8.812 -0.233 -0.193 1.00 0.00 H new ATOM 0 HB3 TYR A 51 8.861 0.297 -1.863 1.00 0.00 H new ATOM 0 HD1 TYR A 51 6.198 2.064 -1.476 1.00 0.00 H new ATOM 0 HD2 TYR A 51 9.969 1.785 0.568 1.00 0.00 H new ATOM 0 HE1 TYR A 51 5.975 4.413 -0.730 1.00 0.00 H new ATOM 0 HE2 TYR A 51 9.739 4.131 1.308 1.00 0.00 H new ATOM 0 HH TYR A 51 8.500 5.978 1.288 1.00 0.00 H new ATOM 863 N TYR A 52 7.448 -2.612 -0.672 1.00 0.00 N ATOM 864 CA TYR A 52 7.660 -4.028 -0.910 1.00 0.00 C ATOM 865 C TYR A 52 6.348 -4.709 -1.294 1.00 0.00 C ATOM 866 O TYR A 52 6.321 -5.584 -2.165 1.00 0.00 O ATOM 867 CB TYR A 52 8.256 -4.682 0.335 1.00 0.00 C ATOM 868 CG TYR A 52 8.560 -6.138 0.076 1.00 0.00 C ATOM 869 CD1 TYR A 52 9.724 -6.485 -0.613 1.00 0.00 C ATOM 870 CD2 TYR A 52 7.693 -7.138 0.531 1.00 0.00 C ATOM 871 CE1 TYR A 52 10.023 -7.824 -0.847 1.00 0.00 C ATOM 872 CE2 TYR A 52 7.993 -8.483 0.294 1.00 0.00 C ATOM 873 CZ TYR A 52 9.163 -8.824 -0.396 1.00 0.00 C ATOM 874 OH TYR A 52 9.471 -10.150 -0.627 1.00 0.00 O ATOM 0 H TYR A 52 7.566 -2.332 0.302 1.00 0.00 H new ATOM 0 HA TYR A 52 8.360 -4.143 -1.738 1.00 0.00 H new ATOM 0 HB2 TYR A 52 9.168 -4.160 0.625 1.00 0.00 H new ATOM 0 HB3 TYR A 52 7.559 -4.593 1.168 1.00 0.00 H new ATOM 0 HD1 TYR A 52 10.393 -5.713 -0.965 1.00 0.00 H new ATOM 0 HD2 TYR A 52 6.793 -6.871 1.065 1.00 0.00 H new ATOM 0 HE1 TYR A 52 10.924 -8.089 -1.380 1.00 0.00 H new ATOM 0 HE2 TYR A 52 7.324 -9.257 0.642 1.00 0.00 H new ATOM 0 HH TYR A 52 10.029 -10.488 0.104 1.00 0.00 H new ATOM 884 N LEU A 53 5.280 -4.376 -0.567 1.00 0.00 N ATOM 885 CA LEU A 53 3.993 -5.038 -0.773 1.00 0.00 C ATOM 886 C LEU A 53 3.197 -4.405 -1.898 1.00 0.00 C ATOM 887 O LEU A 53 2.899 -3.213 -1.887 1.00 0.00 O ATOM 888 CB LEU A 53 3.163 -5.064 0.519 1.00 0.00 C ATOM 889 CG LEU A 53 3.928 -5.818 1.619 1.00 0.00 C ATOM 890 CD1 LEU A 53 3.095 -5.840 2.905 1.00 0.00 C ATOM 891 CD2 LEU A 53 4.211 -7.261 1.173 1.00 0.00 C ATOM 0 H LEU A 53 5.280 -3.661 0.160 1.00 0.00 H new ATOM 0 HA LEU A 53 4.216 -6.065 -1.062 1.00 0.00 H new ATOM 0 HB2 LEU A 53 2.950 -4.046 0.845 1.00 0.00 H new ATOM 0 HB3 LEU A 53 2.203 -5.547 0.335 1.00 0.00 H new ATOM 0 HG LEU A 53 4.873 -5.307 1.803 1.00 0.00 H new ATOM 0 HD11 LEU A 53 3.640 -6.375 3.683 1.00 0.00 H new ATOM 0 HD12 LEU A 53 2.905 -4.818 3.233 1.00 0.00 H new ATOM 0 HD13 LEU A 53 2.146 -6.343 2.716 1.00 0.00 H new ATOM 0 HD21 LEU A 53 4.753 -7.785 1.960 1.00 0.00 H new ATOM 0 HD22 LEU A 53 3.269 -7.773 0.978 1.00 0.00 H new ATOM 0 HD23 LEU A 53 4.812 -7.250 0.264 1.00 0.00 H new ATOM 903 N ASN A 54 2.779 -5.241 -2.822 1.00 0.00 N ATOM 904 CA ASN A 54 1.991 -4.810 -3.957 1.00 0.00 C ATOM 905 C ASN A 54 0.575 -4.467 -3.529 1.00 0.00 C ATOM 906 O ASN A 54 -0.380 -5.192 -3.854 1.00 0.00 O ATOM 907 CB ASN A 54 1.970 -5.918 -5.014 1.00 0.00 C ATOM 908 CG ASN A 54 3.313 -6.004 -5.729 1.00 0.00 C ATOM 909 OD1 ASN A 54 3.856 -4.984 -6.156 1.00 0.00 O ATOM 910 ND2 ASN A 54 3.889 -7.154 -5.881 1.00 0.00 N ATOM 0 H ASN A 54 2.976 -6.242 -2.808 1.00 0.00 H new ATOM 0 HA ASN A 54 2.444 -3.914 -4.381 1.00 0.00 H new ATOM 0 HB2 ASN A 54 1.741 -6.874 -4.542 1.00 0.00 H new ATOM 0 HB3 ASN A 54 1.179 -5.723 -5.738 1.00 0.00 H new ATOM 0 HD21 ASN A 54 4.791 -7.214 -6.354 1.00 0.00 H new ATOM 0 HD22 ASN A 54 3.441 -8.000 -5.528 1.00 0.00 H new ATOM 917 N THR A 55 0.447 -3.383 -2.783 1.00 0.00 N ATOM 918 CA THR A 55 -0.843 -2.897 -2.298 1.00 0.00 C ATOM 919 C THR A 55 -0.704 -1.460 -1.817 1.00 0.00 C ATOM 920 O THR A 55 0.030 -1.194 -0.857 1.00 0.00 O ATOM 921 CB THR A 55 -1.357 -3.780 -1.152 1.00 0.00 C ATOM 922 OG1 THR A 55 -1.392 -5.129 -1.585 1.00 0.00 O ATOM 923 CG2 THR A 55 -2.767 -3.344 -0.748 1.00 0.00 C ATOM 0 H THR A 55 1.238 -2.808 -2.492 1.00 0.00 H new ATOM 0 HA THR A 55 -1.560 -2.938 -3.118 1.00 0.00 H new ATOM 0 HB THR A 55 -0.692 -3.680 -0.294 1.00 0.00 H new ATOM 0 HG1 THR A 55 -1.406 -5.158 -2.564 1.00 0.00 H new ATOM 0 HG21 THR A 55 -3.124 -3.976 0.065 1.00 0.00 H new ATOM 0 HG22 THR A 55 -2.746 -2.305 -0.419 1.00 0.00 H new ATOM 0 HG23 THR A 55 -3.437 -3.440 -1.603 1.00 0.00 H new ATOM 931 N PRO A 56 -1.351 -0.525 -2.468 1.00 0.00 N ATOM 932 CA PRO A 56 -1.240 0.897 -2.049 1.00 0.00 C ATOM 933 C PRO A 56 -1.862 1.123 -0.672 1.00 0.00 C ATOM 934 O PRO A 56 -2.978 0.659 -0.400 1.00 0.00 O ATOM 935 CB PRO A 56 -2.027 1.649 -3.128 1.00 0.00 C ATOM 936 CG PRO A 56 -3.046 0.670 -3.603 1.00 0.00 C ATOM 937 CD PRO A 56 -2.367 -0.700 -3.532 1.00 0.00 C ATOM 0 HA PRO A 56 -0.205 1.228 -1.961 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -2.497 2.545 -2.723 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -1.376 1.970 -3.942 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -3.938 0.698 -2.977 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -3.363 0.898 -4.621 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -3.078 -1.488 -3.283 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -1.910 -0.972 -4.483 1.00 0.00 H new ATOM 945 N LEU A 57 -1.212 1.939 0.141 1.00 0.00 N ATOM 946 CA LEU A 57 -1.764 2.319 1.431 1.00 0.00 C ATOM 947 C LEU A 57 -3.013 3.143 1.258 1.00 0.00 C ATOM 948 O LEU A 57 -3.918 3.089 2.082 1.00 0.00 O ATOM 949 CB LEU A 57 -0.752 3.050 2.315 1.00 0.00 C ATOM 950 CG LEU A 57 0.355 2.083 2.748 1.00 0.00 C ATOM 951 CD1 LEU A 57 1.414 2.843 3.542 1.00 0.00 C ATOM 952 CD2 LEU A 57 -0.233 0.978 3.631 1.00 0.00 C ATOM 0 H LEU A 57 -0.303 2.351 -0.069 1.00 0.00 H new ATOM 0 HA LEU A 57 -2.021 1.393 1.946 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -0.321 3.890 1.771 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -1.252 3.461 3.192 1.00 0.00 H new ATOM 0 HG LEU A 57 0.805 1.638 1.860 1.00 0.00 H new ATOM 0 HD11 LEU A 57 2.201 2.155 3.850 1.00 0.00 H new ATOM 0 HD12 LEU A 57 1.842 3.629 2.919 1.00 0.00 H new ATOM 0 HD13 LEU A 57 0.956 3.289 4.425 1.00 0.00 H new ATOM 0 HD21 LEU A 57 0.560 0.295 3.935 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -0.688 1.423 4.516 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -0.990 0.429 3.071 1.00 0.00 H new ATOM 964 N GLU A 58 -3.012 3.978 0.237 1.00 0.00 N ATOM 965 CA GLU A 58 -4.103 4.904 0.004 1.00 0.00 C ATOM 966 C GLU A 58 -5.444 4.176 0.107 1.00 0.00 C ATOM 967 O GLU A 58 -6.347 4.613 0.828 1.00 0.00 O ATOM 968 CB GLU A 58 -3.943 5.516 -1.390 1.00 0.00 C ATOM 969 CG GLU A 58 -2.672 6.383 -1.422 1.00 0.00 C ATOM 970 CD GLU A 58 -2.422 6.891 -2.824 1.00 0.00 C ATOM 971 OE1 GLU A 58 -2.572 6.121 -3.739 1.00 0.00 O ATOM 972 OE2 GLU A 58 -2.074 8.043 -2.969 1.00 0.00 O ATOM 0 H GLU A 58 -2.260 4.034 -0.450 1.00 0.00 H new ATOM 0 HA GLU A 58 -4.081 5.692 0.757 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -3.879 4.728 -2.140 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -4.816 6.121 -1.637 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -2.779 7.224 -0.736 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -1.817 5.800 -1.081 1.00 0.00 H new ATOM 979 N ASP A 59 -5.546 3.023 -0.545 1.00 0.00 N ATOM 980 CA ASP A 59 -6.753 2.206 -0.428 1.00 0.00 C ATOM 981 C ASP A 59 -6.902 1.692 0.992 1.00 0.00 C ATOM 982 O ASP A 59 -7.999 1.669 1.557 1.00 0.00 O ATOM 983 CB ASP A 59 -6.706 1.013 -1.382 1.00 0.00 C ATOM 984 CG ASP A 59 -8.005 0.229 -1.271 1.00 0.00 C ATOM 985 OD1 ASP A 59 -9.037 0.802 -1.552 1.00 0.00 O ATOM 986 OD2 ASP A 59 -7.956 -0.926 -0.900 1.00 0.00 O ATOM 0 H ASP A 59 -4.822 2.636 -1.151 1.00 0.00 H new ATOM 0 HA ASP A 59 -7.604 2.835 -0.688 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -6.562 1.357 -2.406 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -5.859 0.372 -1.139 1.00 0.00 H new ATOM 991 N ILE A 60 -5.795 1.246 1.539 1.00 0.00 N ATOM 992 CA ILE A 60 -5.752 0.666 2.868 1.00 0.00 C ATOM 993 C ILE A 60 -6.139 1.711 3.920 1.00 0.00 C ATOM 994 O ILE A 60 -6.914 1.428 4.849 1.00 0.00 O ATOM 995 CB ILE A 60 -4.334 0.114 3.122 1.00 0.00 C ATOM 996 CG1 ILE A 60 -4.048 -1.060 2.165 1.00 0.00 C ATOM 997 CG2 ILE A 60 -4.178 -0.366 4.564 1.00 0.00 C ATOM 998 CD1 ILE A 60 -5.009 -2.225 2.438 1.00 0.00 C ATOM 0 H ILE A 60 -4.889 1.274 1.072 1.00 0.00 H new ATOM 0 HA ILE A 60 -6.470 -0.150 2.941 1.00 0.00 H new ATOM 0 HB ILE A 60 -3.624 0.921 2.944 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -4.154 -0.728 1.132 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -3.018 -1.394 2.288 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -3.169 -0.749 4.713 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -4.354 0.466 5.246 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -4.900 -1.158 4.764 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -4.792 -3.044 1.753 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -4.883 -2.568 3.465 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -6.036 -1.892 2.291 1.00 0.00 H new ATOM 1010 N PHE A 61 -5.608 2.907 3.766 1.00 0.00 N ATOM 1011 CA PHE A 61 -5.901 4.000 4.677 1.00 0.00 C ATOM 1012 C PHE A 61 -7.317 4.493 4.425 1.00 0.00 C ATOM 1013 O PHE A 61 -7.522 5.514 3.774 1.00 0.00 O ATOM 1014 CB PHE A 61 -4.898 5.143 4.441 1.00 0.00 C ATOM 1015 CG PHE A 61 -5.033 6.193 5.522 1.00 0.00 C ATOM 1016 CD1 PHE A 61 -4.377 6.023 6.745 1.00 0.00 C ATOM 1017 CD2 PHE A 61 -5.804 7.339 5.299 1.00 0.00 C ATOM 1018 CE1 PHE A 61 -4.493 6.992 7.743 1.00 0.00 C ATOM 1019 CE2 PHE A 61 -5.920 8.309 6.298 1.00 0.00 C ATOM 1020 CZ PHE A 61 -5.263 8.137 7.520 1.00 0.00 C ATOM 0 H PHE A 61 -4.965 3.150 3.012 1.00 0.00 H new ATOM 0 HA PHE A 61 -5.816 3.657 5.708 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -3.882 4.748 4.433 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -5.073 5.593 3.464 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -3.779 5.140 6.918 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -6.310 7.474 4.354 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -3.988 6.857 8.688 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -6.518 9.192 6.126 1.00 0.00 H new ATOM 0 HZ PHE A 61 -5.350 8.888 8.291 1.00 0.00 H new