USER MOD reduce.3.24.130724 H: found=0, std=0, add=567, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 560 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 Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 ASN : amide:sc= 0.0858 X(o=0.086,f=0) USER MOD Single : A 13 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 18 GLN : amide:sc= -0.0717 K(o=-0.072,f=-1.8) USER MOD Single : A 19 GLN : amide:sc= -6.75! C(o=-6.7!,f=-8.7!) USER MOD Single : A 24 CYS SG : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 GLN : amide:sc= -0.303 K(o=-0.3,f=-2.5!) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= -0.154 K(o=-0.15,f=-0.68) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 161:sc= -0.0156 (180deg=-0.161) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 TYR OH : rot 28:sc= -0.563 USER MOD Single : A 51 ASN : amide:sc= -0.352 K(o=-0.35,f=-2!) USER MOD Single : A 53 THR OG1 : rot 180:sc= -0.0154 USER MOD Single : A 55 HIS : no HE2:sc= -6.97! C(o=-7!,f=-7.3!) USER MOD Single : A 56 CYS SG : rot -157:sc= -1.81! USER MOD Single : A 72 HIS : no HE2:sc= -0.683 K(o=-0.68,f=-3.6!) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 TYR OH : rot -40:sc= 0.246 USER MOD Single : A 80 GLN : amide:sc= -0.0147 X(o=-0.015,f=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 111 N ILE A 8 -4.235 5.076 -8.195 1.00 0.00 N ATOM 112 CA ILE A 8 -3.473 3.843 -8.092 1.00 0.00 C ATOM 113 C ILE A 8 -2.607 3.679 -9.343 1.00 0.00 C ATOM 114 O ILE A 8 -3.113 3.725 -10.463 1.00 0.00 O ATOM 115 CB ILE A 8 -4.404 2.659 -7.830 1.00 0.00 C ATOM 116 CG1 ILE A 8 -4.716 2.527 -6.338 1.00 0.00 C ATOM 117 CG2 ILE A 8 -3.825 1.367 -8.410 1.00 0.00 C ATOM 118 CD1 ILE A 8 -5.949 3.350 -5.961 1.00 0.00 C ATOM 0 HA ILE A 8 -2.797 3.882 -7.238 1.00 0.00 H new ATOM 0 HB ILE A 8 -5.348 2.847 -8.342 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -4.884 1.479 -6.089 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -3.859 2.860 -5.753 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -4.507 0.541 -8.210 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -3.695 1.478 -9.487 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -2.860 1.161 -7.947 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -6.149 3.239 -4.895 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -5.769 4.401 -6.189 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -6.809 2.998 -6.530 1.00 0.00 H new ATOM 130 N LYS A 9 -1.315 3.492 -9.109 1.00 0.00 N ATOM 131 CA LYS A 9 -0.374 3.321 -10.203 1.00 0.00 C ATOM 132 C LYS A 9 -0.264 1.834 -10.546 1.00 0.00 C ATOM 133 O LYS A 9 -0.933 1.352 -11.458 1.00 0.00 O ATOM 134 CB LYS A 9 0.966 3.975 -9.864 1.00 0.00 C ATOM 135 CG LYS A 9 0.884 5.496 -10.003 1.00 0.00 C ATOM 136 CD LYS A 9 1.871 6.188 -9.060 1.00 0.00 C ATOM 137 CE LYS A 9 1.140 7.112 -8.084 1.00 0.00 C ATOM 138 NZ LYS A 9 1.334 8.528 -8.468 1.00 0.00 N ATOM 0 H LYS A 9 -0.899 3.455 -8.178 1.00 0.00 H new ATOM 0 HA LYS A 9 -0.733 3.830 -11.098 1.00 0.00 H new ATOM 0 HB2 LYS A 9 1.255 3.714 -8.846 1.00 0.00 H new ATOM 0 HB3 LYS A 9 1.742 3.587 -10.524 1.00 0.00 H new ATOM 0 HG2 LYS A 9 1.098 5.782 -11.033 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -0.130 5.831 -9.783 1.00 0.00 H new ATOM 0 HD2 LYS A 9 2.435 5.439 -8.504 1.00 0.00 H new ATOM 0 HD3 LYS A 9 2.592 6.763 -9.641 1.00 0.00 H new ATOM 0 HE2 LYS A 9 0.076 6.874 -8.075 1.00 0.00 H new ATOM 0 HE3 LYS A 9 1.511 6.949 -7.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 0.832 9.142 -7.796 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 2.349 8.756 -8.453 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 0.958 8.683 -9.425 1.00 0.00 H new ATOM 150 N ASN A 10 0.587 1.148 -9.796 1.00 0.00 N ATOM 151 CA ASN A 10 0.795 -0.275 -10.011 1.00 0.00 C ATOM 152 C ASN A 10 0.236 -1.051 -8.818 1.00 0.00 C ATOM 153 O ASN A 10 0.356 -0.613 -7.675 1.00 0.00 O ATOM 154 CB ASN A 10 2.285 -0.602 -10.131 1.00 0.00 C ATOM 155 CG ASN A 10 2.533 -1.626 -11.240 1.00 0.00 C ATOM 156 OD1 ASN A 10 2.756 -1.291 -12.393 1.00 0.00 O ATOM 157 ND2 ASN A 10 2.482 -2.890 -10.831 1.00 0.00 N ATOM 0 H ASN A 10 1.140 1.551 -9.039 1.00 0.00 H new ATOM 0 HA ASN A 10 0.289 -0.555 -10.935 1.00 0.00 H new ATOM 0 HB2 ASN A 10 2.845 0.309 -10.340 1.00 0.00 H new ATOM 0 HB3 ASN A 10 2.653 -0.992 -9.182 1.00 0.00 H new ATOM 0 HD21 ASN A 10 2.634 -3.648 -11.496 1.00 0.00 H new ATOM 0 HD22 ASN A 10 2.291 -3.102 -9.852 1.00 0.00 H new ATOM 164 N ALA A 11 -0.364 -2.193 -9.124 1.00 0.00 N ATOM 165 CA ALA A 11 -0.942 -3.035 -8.091 1.00 0.00 C ATOM 166 C ALA A 11 -0.756 -4.504 -8.475 1.00 0.00 C ATOM 167 O ALA A 11 -0.308 -5.310 -7.661 1.00 0.00 O ATOM 168 CB ALA A 11 -2.414 -2.666 -7.895 1.00 0.00 C ATOM 0 H ALA A 11 -0.462 -2.554 -10.073 1.00 0.00 H new ATOM 0 HA ALA A 11 -0.437 -2.876 -7.138 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -2.847 -3.298 -7.120 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -2.490 -1.621 -7.596 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -2.954 -2.816 -8.830 1.00 0.00 H new ATOM 174 N ASP A 12 -1.110 -4.809 -9.715 1.00 0.00 N ATOM 175 CA ASP A 12 -0.988 -6.167 -10.216 1.00 0.00 C ATOM 176 C ASP A 12 -1.494 -7.146 -9.154 1.00 0.00 C ATOM 177 O ASP A 12 -0.703 -7.830 -8.507 1.00 0.00 O ATOM 178 CB ASP A 12 0.471 -6.513 -10.519 1.00 0.00 C ATOM 179 CG ASP A 12 0.898 -6.296 -11.973 1.00 0.00 C ATOM 180 OD1 ASP A 12 1.906 -5.629 -12.249 1.00 0.00 O ATOM 181 OD2 ASP A 12 0.137 -6.854 -12.853 1.00 0.00 O ATOM 0 H ASP A 12 -1.482 -4.138 -10.388 1.00 0.00 H new ATOM 0 HA ASP A 12 -1.575 -6.242 -11.131 1.00 0.00 H new ATOM 0 HB2 ASP A 12 1.113 -5.913 -9.874 1.00 0.00 H new ATOM 0 HB3 ASP A 12 0.643 -7.557 -10.257 1.00 0.00 H new ATOM 187 N MET A 13 -2.811 -7.181 -9.007 1.00 0.00 N ATOM 188 CA MET A 13 -3.432 -8.065 -8.035 1.00 0.00 C ATOM 189 C MET A 13 -4.945 -8.135 -8.248 1.00 0.00 C ATOM 190 O MET A 13 -5.474 -7.534 -9.182 1.00 0.00 O ATOM 191 CB MET A 13 -3.138 -7.557 -6.623 1.00 0.00 C ATOM 192 CG MET A 13 -2.395 -8.614 -5.803 1.00 0.00 C ATOM 193 SD MET A 13 -2.484 -8.214 -4.066 1.00 0.00 S ATOM 194 CE MET A 13 -1.065 -7.140 -3.922 1.00 0.00 C ATOM 0 H MET A 13 -3.465 -6.612 -9.545 1.00 0.00 H new ATOM 0 HA MET A 13 -3.019 -9.065 -8.164 1.00 0.00 H new ATOM 0 HB2 MET A 13 -2.540 -6.647 -6.677 1.00 0.00 H new ATOM 0 HB3 MET A 13 -4.072 -7.296 -6.125 1.00 0.00 H new ATOM 0 HG2 MET A 13 -2.831 -9.597 -5.981 1.00 0.00 H new ATOM 0 HG3 MET A 13 -1.353 -8.666 -6.120 1.00 0.00 H new ATOM 0 HE1 MET A 13 -0.972 -6.796 -2.892 1.00 0.00 H new ATOM 0 HE2 MET A 13 -0.165 -7.686 -4.205 1.00 0.00 H new ATOM 0 HE3 MET A 13 -1.190 -6.281 -4.581 1.00 0.00 H new ATOM 204 N SER A 14 -5.600 -8.875 -7.366 1.00 0.00 N ATOM 205 CA SER A 14 -7.043 -9.032 -7.445 1.00 0.00 C ATOM 206 C SER A 14 -7.735 -7.930 -6.639 1.00 0.00 C ATOM 207 O SER A 14 -7.280 -7.570 -5.554 1.00 0.00 O ATOM 208 CB SER A 14 -7.476 -10.410 -6.939 1.00 0.00 C ATOM 209 OG SER A 14 -8.867 -10.642 -7.144 1.00 0.00 O ATOM 0 H SER A 14 -5.159 -9.373 -6.593 1.00 0.00 H new ATOM 0 HA SER A 14 -7.339 -8.949 -8.491 1.00 0.00 H new ATOM 0 HB2 SER A 14 -6.901 -11.181 -7.451 1.00 0.00 H new ATOM 0 HB3 SER A 14 -7.247 -10.494 -5.877 1.00 0.00 H new ATOM 0 HG SER A 14 -9.103 -11.532 -6.809 1.00 0.00 H new ATOM 215 N GLU A 15 -8.823 -7.424 -7.202 1.00 0.00 N ATOM 216 CA GLU A 15 -9.582 -6.371 -6.549 1.00 0.00 C ATOM 217 C GLU A 15 -9.854 -6.738 -5.090 1.00 0.00 C ATOM 218 O GLU A 15 -10.118 -5.865 -4.264 1.00 0.00 O ATOM 219 CB GLU A 15 -10.887 -6.092 -7.297 1.00 0.00 C ATOM 220 CG GLU A 15 -11.153 -4.588 -7.393 1.00 0.00 C ATOM 221 CD GLU A 15 -11.672 -4.211 -8.782 1.00 0.00 C ATOM 222 OE1 GLU A 15 -10.911 -4.251 -9.761 1.00 0.00 O ATOM 223 OE2 GLU A 15 -12.915 -3.868 -8.825 1.00 0.00 O ATOM 0 H GLU A 15 -9.197 -7.724 -8.103 1.00 0.00 H new ATOM 0 HA GLU A 15 -8.988 -5.457 -6.568 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -10.835 -6.520 -8.298 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -11.716 -6.580 -6.784 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -11.881 -4.295 -6.637 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -10.236 -4.039 -7.182 1.00 0.00 H new ATOM 231 N GLU A 16 -9.780 -8.032 -4.814 1.00 0.00 N ATOM 232 CA GLU A 16 -10.015 -8.526 -3.468 1.00 0.00 C ATOM 233 C GLU A 16 -9.009 -7.910 -2.494 1.00 0.00 C ATOM 234 O GLU A 16 -9.391 -7.169 -1.588 1.00 0.00 O ATOM 235 CB GLU A 16 -9.953 -10.054 -3.425 1.00 0.00 C ATOM 236 CG GLU A 16 -11.317 -10.667 -3.753 1.00 0.00 C ATOM 237 CD GLU A 16 -12.376 -10.216 -2.745 1.00 0.00 C ATOM 238 OE1 GLU A 16 -12.065 -10.031 -1.559 1.00 0.00 O ATOM 239 OE2 GLU A 16 -13.559 -10.056 -3.233 1.00 0.00 O ATOM 0 H GLU A 16 -9.560 -8.754 -5.500 1.00 0.00 H new ATOM 0 HA GLU A 16 -11.018 -8.227 -3.163 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -9.209 -10.412 -4.137 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -9.631 -10.381 -2.436 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -11.619 -10.375 -4.759 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -11.242 -11.754 -3.746 1.00 0.00 H new ATOM 247 N MET A 17 -7.744 -8.237 -2.712 1.00 0.00 N ATOM 248 CA MET A 17 -6.681 -7.725 -1.864 1.00 0.00 C ATOM 249 C MET A 17 -6.312 -6.293 -2.253 1.00 0.00 C ATOM 250 O MET A 17 -5.902 -5.502 -1.405 1.00 0.00 O ATOM 251 CB MET A 17 -5.448 -8.623 -1.993 1.00 0.00 C ATOM 252 CG MET A 17 -5.850 -10.097 -2.068 1.00 0.00 C ATOM 253 SD MET A 17 -7.050 -10.469 -0.800 1.00 0.00 S ATOM 254 CE MET A 17 -7.222 -12.229 -1.041 1.00 0.00 C ATOM 0 H MET A 17 -7.431 -8.851 -3.464 1.00 0.00 H new ATOM 0 HA MET A 17 -7.033 -7.722 -0.833 1.00 0.00 H new ATOM 0 HB2 MET A 17 -4.886 -8.350 -2.886 1.00 0.00 H new ATOM 0 HB3 MET A 17 -4.788 -8.465 -1.140 1.00 0.00 H new ATOM 0 HG2 MET A 17 -6.266 -10.319 -3.051 1.00 0.00 H new ATOM 0 HG3 MET A 17 -4.971 -10.729 -1.944 1.00 0.00 H new ATOM 0 HE1 MET A 17 -7.941 -12.626 -0.324 1.00 0.00 H new ATOM 0 HE2 MET A 17 -7.573 -12.425 -2.054 1.00 0.00 H new ATOM 0 HE3 MET A 17 -6.257 -12.713 -0.892 1.00 0.00 H new ATOM 264 N GLN A 18 -6.472 -6.001 -3.536 1.00 0.00 N ATOM 265 CA GLN A 18 -6.160 -4.677 -4.047 1.00 0.00 C ATOM 266 C GLN A 18 -7.131 -3.645 -3.472 1.00 0.00 C ATOM 267 O GLN A 18 -6.711 -2.588 -3.002 1.00 0.00 O ATOM 268 CB GLN A 18 -6.186 -4.660 -5.577 1.00 0.00 C ATOM 269 CG GLN A 18 -5.520 -3.396 -6.123 1.00 0.00 C ATOM 270 CD GLN A 18 -6.551 -2.470 -6.772 1.00 0.00 C ATOM 271 OE1 GLN A 18 -7.697 -2.388 -6.360 1.00 0.00 O ATOM 272 NE2 GLN A 18 -6.082 -1.780 -7.807 1.00 0.00 N ATOM 0 H GLN A 18 -6.814 -6.659 -4.237 1.00 0.00 H new ATOM 0 HA GLN A 18 -5.151 -4.415 -3.730 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -5.673 -5.541 -5.963 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -7.217 -4.712 -5.927 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -5.012 -2.870 -5.315 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -4.759 -3.668 -6.854 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -5.112 -1.896 -8.100 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -6.692 -1.134 -8.308 1.00 0.00 H new ATOM 281 N GLN A 19 -8.410 -3.986 -3.526 1.00 0.00 N ATOM 282 CA GLN A 19 -9.443 -3.101 -3.016 1.00 0.00 C ATOM 283 C GLN A 19 -9.393 -3.053 -1.487 1.00 0.00 C ATOM 284 O GLN A 19 -9.445 -1.976 -0.895 1.00 0.00 O ATOM 285 CB GLN A 19 -10.826 -3.533 -3.506 1.00 0.00 C ATOM 286 CG GLN A 19 -11.836 -2.391 -3.375 1.00 0.00 C ATOM 287 CD GLN A 19 -11.803 -1.789 -1.968 1.00 0.00 C ATOM 288 OE1 GLN A 19 -11.994 -2.466 -0.971 1.00 0.00 O ATOM 289 NE2 GLN A 19 -11.550 -0.484 -1.943 1.00 0.00 N ATOM 0 H GLN A 19 -8.755 -4.864 -3.915 1.00 0.00 H new ATOM 0 HA GLN A 19 -9.256 -2.097 -3.398 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -10.764 -3.851 -4.547 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -11.167 -4.393 -2.930 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -11.614 -1.618 -4.111 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -12.838 -2.760 -3.593 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -11.399 0.023 -2.815 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -11.506 0.010 -1.052 1.00 0.00 H new ATOM 298 N ASP A 20 -9.294 -4.233 -0.893 1.00 0.00 N ATOM 299 CA ASP A 20 -9.237 -4.340 0.555 1.00 0.00 C ATOM 300 C ASP A 20 -7.999 -3.603 1.068 1.00 0.00 C ATOM 301 O ASP A 20 -8.077 -2.849 2.037 1.00 0.00 O ATOM 302 CB ASP A 20 -9.134 -5.801 0.996 1.00 0.00 C ATOM 303 CG ASP A 20 -9.417 -6.050 2.479 1.00 0.00 C ATOM 304 OD1 ASP A 20 -9.009 -5.265 3.348 1.00 0.00 O ATOM 305 OD2 ASP A 20 -10.096 -7.117 2.732 1.00 0.00 O ATOM 0 H ASP A 20 -9.252 -5.124 -1.388 1.00 0.00 H new ATOM 0 HA ASP A 20 -10.150 -3.904 0.961 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -9.831 -6.394 0.404 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -8.132 -6.164 0.767 1.00 0.00 H new ATOM 311 N ALA A 21 -6.883 -3.845 0.394 1.00 0.00 N ATOM 312 CA ALA A 21 -5.630 -3.214 0.770 1.00 0.00 C ATOM 313 C ALA A 21 -5.757 -1.698 0.602 1.00 0.00 C ATOM 314 O ALA A 21 -5.632 -0.950 1.571 1.00 0.00 O ATOM 315 CB ALA A 21 -4.492 -3.800 -0.069 1.00 0.00 C ATOM 0 H ALA A 21 -6.822 -4.470 -0.410 1.00 0.00 H new ATOM 0 HA ALA A 21 -5.399 -3.412 1.817 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -3.551 -3.327 0.213 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -4.425 -4.874 0.108 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -4.688 -3.618 -1.126 1.00 0.00 H new ATOM 321 N VAL A 22 -6.004 -1.291 -0.633 1.00 0.00 N ATOM 322 CA VAL A 22 -6.149 0.123 -0.940 1.00 0.00 C ATOM 323 C VAL A 22 -7.199 0.736 -0.012 1.00 0.00 C ATOM 324 O VAL A 22 -7.168 1.935 0.260 1.00 0.00 O ATOM 325 CB VAL A 22 -6.482 0.305 -2.422 1.00 0.00 C ATOM 326 CG1 VAL A 22 -7.995 0.281 -2.652 1.00 0.00 C ATOM 327 CG2 VAL A 22 -5.865 1.594 -2.968 1.00 0.00 C ATOM 0 H VAL A 22 -6.108 -1.914 -1.434 1.00 0.00 H new ATOM 0 HA VAL A 22 -5.211 0.650 -0.764 1.00 0.00 H new ATOM 0 HB VAL A 22 -6.047 -0.532 -2.968 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -8.204 0.412 -3.714 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -8.399 -0.675 -2.318 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -8.462 1.088 -2.088 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -6.117 1.699 -4.023 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -6.256 2.448 -2.415 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -4.782 1.555 -2.856 1.00 0.00 H new ATOM 337 N ASP A 23 -8.106 -0.115 0.448 1.00 0.00 N ATOM 338 CA ASP A 23 -9.164 0.328 1.340 1.00 0.00 C ATOM 339 C ASP A 23 -8.547 0.819 2.652 1.00 0.00 C ATOM 340 O ASP A 23 -8.665 1.993 2.998 1.00 0.00 O ATOM 341 CB ASP A 23 -10.124 -0.817 1.667 1.00 0.00 C ATOM 342 CG ASP A 23 -11.563 -0.608 1.195 1.00 0.00 C ATOM 343 OD1 ASP A 23 -11.944 0.494 0.770 1.00 0.00 O ATOM 344 OD2 ASP A 23 -12.321 -1.650 1.275 1.00 0.00 O ATOM 0 H ASP A 23 -8.129 -1.109 0.219 1.00 0.00 H new ATOM 0 HA ASP A 23 -9.713 1.127 0.842 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -9.740 -1.733 1.218 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -10.130 -0.969 2.746 1.00 0.00 H new ATOM 350 N CYS A 24 -7.901 -0.107 3.347 1.00 0.00 N ATOM 351 CA CYS A 24 -7.265 0.216 4.613 1.00 0.00 C ATOM 352 C CYS A 24 -6.225 1.309 4.364 1.00 0.00 C ATOM 353 O CYS A 24 -5.908 2.087 5.263 1.00 0.00 O ATOM 354 CB CYS A 24 -6.648 -1.022 5.268 1.00 0.00 C ATOM 355 SG CYS A 24 -7.946 -1.998 6.109 1.00 0.00 S ATOM 0 H CYS A 24 -7.805 -1.080 3.057 1.00 0.00 H new ATOM 0 HA CYS A 24 -8.013 0.583 5.316 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -6.153 -1.634 4.514 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -5.885 -0.721 5.986 1.00 0.00 H new ATOM 0 HG CYS A 24 -7.412 -3.048 6.659 1.00 0.00 H new ATOM 361 N ALA A 25 -5.723 1.335 3.138 1.00 0.00 N ATOM 362 CA ALA A 25 -4.724 2.320 2.758 1.00 0.00 C ATOM 363 C ALA A 25 -5.349 3.716 2.801 1.00 0.00 C ATOM 364 O ALA A 25 -5.046 4.508 3.692 1.00 0.00 O ATOM 365 CB ALA A 25 -4.164 1.973 1.377 1.00 0.00 C ATOM 0 H ALA A 25 -5.989 0.689 2.395 1.00 0.00 H new ATOM 0 HA ALA A 25 -3.889 2.311 3.459 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -3.415 2.712 1.092 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -3.706 0.985 1.408 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -4.972 1.975 0.646 1.00 0.00 H new ATOM 371 N THR A 26 -6.210 3.973 1.828 1.00 0.00 N ATOM 372 CA THR A 26 -6.880 5.260 1.743 1.00 0.00 C ATOM 373 C THR A 26 -7.503 5.627 3.091 1.00 0.00 C ATOM 374 O THR A 26 -7.279 6.721 3.606 1.00 0.00 O ATOM 375 CB THR A 26 -7.898 5.189 0.603 1.00 0.00 C ATOM 376 OG1 THR A 26 -8.423 6.511 0.523 1.00 0.00 O ATOM 377 CG2 THR A 26 -9.112 4.326 0.955 1.00 0.00 C ATOM 0 H THR A 26 -6.459 3.313 1.092 1.00 0.00 H new ATOM 0 HA THR A 26 -6.174 6.059 1.518 1.00 0.00 H new ATOM 0 HB THR A 26 -7.416 4.790 -0.290 1.00 0.00 H new ATOM 0 HG1 THR A 26 -9.091 6.555 -0.193 1.00 0.00 H new ATOM 0 HG21 THR A 26 -9.803 4.309 0.112 1.00 0.00 H new ATOM 0 HG22 THR A 26 -8.784 3.310 1.176 1.00 0.00 H new ATOM 0 HG23 THR A 26 -9.614 4.743 1.828 1.00 0.00 H new ATOM 385 N GLN A 27 -8.273 4.690 3.625 1.00 0.00 N ATOM 386 CA GLN A 27 -8.931 4.901 4.904 1.00 0.00 C ATOM 387 C GLN A 27 -7.904 5.282 5.973 1.00 0.00 C ATOM 388 O GLN A 27 -8.106 6.237 6.720 1.00 0.00 O ATOM 389 CB GLN A 27 -9.723 3.662 5.324 1.00 0.00 C ATOM 390 CG GLN A 27 -10.905 3.422 4.381 1.00 0.00 C ATOM 391 CD GLN A 27 -12.236 3.587 5.119 1.00 0.00 C ATOM 392 OE1 GLN A 27 -12.301 4.079 6.234 1.00 0.00 O ATOM 393 NE2 GLN A 27 -13.291 3.150 4.436 1.00 0.00 N ATOM 0 H GLN A 27 -8.456 3.783 3.196 1.00 0.00 H new ATOM 0 HA GLN A 27 -9.637 5.724 4.795 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -9.069 2.790 5.323 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -10.086 3.786 6.344 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -10.858 4.122 3.547 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -10.841 2.419 3.959 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -13.166 2.749 3.507 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -14.224 3.216 4.842 1.00 0.00 H new ATOM 402 N ALA A 28 -6.823 4.516 6.009 1.00 0.00 N ATOM 403 CA ALA A 28 -5.764 4.761 6.973 1.00 0.00 C ATOM 404 C ALA A 28 -5.344 6.231 6.899 1.00 0.00 C ATOM 405 O ALA A 28 -5.324 6.926 7.914 1.00 0.00 O ATOM 406 CB ALA A 28 -4.598 3.807 6.704 1.00 0.00 C ATOM 0 H ALA A 28 -6.658 3.725 5.386 1.00 0.00 H new ATOM 0 HA ALA A 28 -6.115 4.569 7.987 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -3.803 3.991 7.427 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -4.942 2.777 6.797 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -4.217 3.973 5.696 1.00 0.00 H new ATOM 412 N LEU A 29 -5.017 6.660 5.689 1.00 0.00 N ATOM 413 CA LEU A 29 -4.599 8.034 5.470 1.00 0.00 C ATOM 414 C LEU A 29 -5.772 8.972 5.759 1.00 0.00 C ATOM 415 O LEU A 29 -5.571 10.130 6.123 1.00 0.00 O ATOM 416 CB LEU A 29 -4.011 8.198 4.067 1.00 0.00 C ATOM 417 CG LEU A 29 -3.473 9.589 3.723 1.00 0.00 C ATOM 418 CD1 LEU A 29 -2.086 9.497 3.085 1.00 0.00 C ATOM 419 CD2 LEU A 29 -4.461 10.355 2.841 1.00 0.00 C ATOM 0 H LEU A 29 -5.033 6.080 4.850 1.00 0.00 H new ATOM 0 HA LEU A 29 -3.799 8.303 6.159 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -3.202 7.478 3.947 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -4.780 7.938 3.340 1.00 0.00 H new ATOM 0 HG LEU A 29 -3.364 10.153 4.649 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -1.726 10.499 2.850 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -1.397 9.018 3.780 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -2.145 8.909 2.169 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -4.055 11.340 2.611 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -4.624 9.804 1.915 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -5.408 10.467 3.368 1.00 0.00 H new ATOM 431 N GLU A 30 -6.972 8.438 5.586 1.00 0.00 N ATOM 432 CA GLU A 30 -8.178 9.213 5.823 1.00 0.00 C ATOM 433 C GLU A 30 -8.538 9.191 7.310 1.00 0.00 C ATOM 434 O GLU A 30 -9.566 9.735 7.711 1.00 0.00 O ATOM 435 CB GLU A 30 -9.339 8.697 4.969 1.00 0.00 C ATOM 436 CG GLU A 30 -10.051 9.851 4.260 1.00 0.00 C ATOM 437 CD GLU A 30 -11.561 9.794 4.504 1.00 0.00 C ATOM 438 OE1 GLU A 30 -12.097 8.725 4.831 1.00 0.00 O ATOM 439 OE2 GLU A 30 -12.181 10.913 4.343 1.00 0.00 O ATOM 0 H GLU A 30 -7.135 7.477 5.284 1.00 0.00 H new ATOM 0 HA GLU A 30 -7.987 10.245 5.530 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -8.965 7.987 4.231 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -10.048 8.159 5.599 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -9.656 10.802 4.618 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -9.850 9.805 3.190 1.00 0.00 H new ATOM 447 N LYS A 31 -7.673 8.557 8.087 1.00 0.00 N ATOM 448 CA LYS A 31 -7.888 8.457 9.520 1.00 0.00 C ATOM 449 C LYS A 31 -6.650 8.976 10.254 1.00 0.00 C ATOM 450 O LYS A 31 -6.768 9.687 11.251 1.00 0.00 O ATOM 451 CB LYS A 31 -8.277 7.028 9.906 1.00 0.00 C ATOM 452 CG LYS A 31 -8.083 6.793 11.405 1.00 0.00 C ATOM 453 CD LYS A 31 -8.543 5.389 11.803 1.00 0.00 C ATOM 454 CE LYS A 31 -8.542 5.222 13.324 1.00 0.00 C ATOM 455 NZ LYS A 31 -8.723 3.799 13.689 1.00 0.00 N ATOM 0 H LYS A 31 -6.821 8.107 7.751 1.00 0.00 H new ATOM 0 HA LYS A 31 -8.726 9.084 9.824 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -9.317 6.845 9.637 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -7.673 6.318 9.342 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -7.032 6.923 11.664 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -8.645 7.537 11.969 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -9.545 5.207 11.414 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -7.886 4.646 11.352 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -7.603 5.593 13.736 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -9.341 5.820 13.762 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -8.720 3.703 14.725 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -9.630 3.457 13.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -7.946 3.236 13.287 1.00 0.00 H new ATOM 467 N TYR A 32 -5.491 8.601 9.732 1.00 0.00 N ATOM 468 CA TYR A 32 -4.233 9.021 10.326 1.00 0.00 C ATOM 469 C TYR A 32 -3.604 10.163 9.526 1.00 0.00 C ATOM 470 O TYR A 32 -3.970 10.396 8.375 1.00 0.00 O ATOM 471 CB TYR A 32 -3.311 7.802 10.262 1.00 0.00 C ATOM 472 CG TYR A 32 -3.409 6.884 11.482 1.00 0.00 C ATOM 473 CD1 TYR A 32 -3.274 7.407 12.753 1.00 0.00 C ATOM 474 CD2 TYR A 32 -3.631 5.532 11.314 1.00 0.00 C ATOM 475 CE1 TYR A 32 -3.367 6.543 13.902 1.00 0.00 C ATOM 476 CE2 TYR A 32 -3.724 4.668 12.462 1.00 0.00 C ATOM 477 CZ TYR A 32 -3.587 5.217 13.699 1.00 0.00 C ATOM 478 OH TYR A 32 -3.675 4.401 14.784 1.00 0.00 O ATOM 0 H TYR A 32 -5.397 8.011 8.905 1.00 0.00 H new ATOM 0 HA TYR A 32 -4.388 9.376 11.345 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -3.548 7.227 9.367 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -2.281 8.143 10.158 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -3.099 8.464 12.886 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -3.735 5.122 10.320 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -3.264 6.939 14.901 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -3.898 3.609 12.344 1.00 0.00 H new ATOM 0 HH TYR A 32 -3.835 3.480 14.489 1.00 0.00 H new ATOM 488 N ASN A 33 -2.667 10.847 10.168 1.00 0.00 N ATOM 489 CA ASN A 33 -1.984 11.959 9.531 1.00 0.00 C ATOM 490 C ASN A 33 -0.497 11.625 9.392 1.00 0.00 C ATOM 491 O ASN A 33 0.170 12.117 8.483 1.00 0.00 O ATOM 492 CB ASN A 33 -2.106 13.234 10.369 1.00 0.00 C ATOM 493 CG ASN A 33 -1.193 14.336 9.828 1.00 0.00 C ATOM 494 OD1 ASN A 33 -1.040 14.519 8.632 1.00 0.00 O ATOM 495 ND2 ASN A 33 -0.598 15.057 10.773 1.00 0.00 N ATOM 0 H ASN A 33 -2.366 10.652 11.123 1.00 0.00 H new ATOM 0 HA ASN A 33 -2.443 12.123 8.556 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -3.140 13.579 10.364 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -1.847 13.018 11.405 1.00 0.00 H new ATOM 0 HD21 ASN A 33 0.031 15.817 10.514 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -0.770 14.850 11.757 1.00 0.00 H new ATOM 502 N ILE A 34 -0.021 10.793 10.307 1.00 0.00 N ATOM 503 CA ILE A 34 1.375 10.390 10.297 1.00 0.00 C ATOM 504 C ILE A 34 1.575 9.290 9.253 1.00 0.00 C ATOM 505 O ILE A 34 1.513 8.104 9.575 1.00 0.00 O ATOM 506 CB ILE A 34 1.827 9.992 11.703 1.00 0.00 C ATOM 507 CG1 ILE A 34 1.529 11.105 12.710 1.00 0.00 C ATOM 508 CG2 ILE A 34 3.304 9.591 11.712 1.00 0.00 C ATOM 509 CD1 ILE A 34 0.179 10.879 13.394 1.00 0.00 C ATOM 0 H ILE A 34 -0.577 10.387 11.060 1.00 0.00 H new ATOM 0 HA ILE A 34 2.012 11.226 10.007 1.00 0.00 H new ATOM 0 HB ILE A 34 1.254 9.117 12.011 1.00 0.00 H new ATOM 0 HG12 ILE A 34 2.319 11.143 13.460 1.00 0.00 H new ATOM 0 HG13 ILE A 34 1.526 12.069 12.202 1.00 0.00 H new ATOM 0 HG21 ILE A 34 3.599 9.313 12.724 1.00 0.00 H new ATOM 0 HG22 ILE A 34 3.455 8.743 11.044 1.00 0.00 H new ATOM 0 HG23 ILE A 34 3.911 10.431 11.375 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -0.008 11.684 14.105 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -0.611 10.866 12.644 1.00 0.00 H new ATOM 0 HD13 ILE A 34 0.194 9.925 13.922 1.00 0.00 H new ATOM 521 N GLU A 35 1.813 9.722 8.023 1.00 0.00 N ATOM 522 CA GLU A 35 2.023 8.788 6.930 1.00 0.00 C ATOM 523 C GLU A 35 2.808 7.568 7.417 1.00 0.00 C ATOM 524 O GLU A 35 2.387 6.431 7.209 1.00 0.00 O ATOM 525 CB GLU A 35 2.736 9.467 5.758 1.00 0.00 C ATOM 526 CG GLU A 35 1.819 10.484 5.074 1.00 0.00 C ATOM 527 CD GLU A 35 2.493 11.854 4.983 1.00 0.00 C ATOM 528 OE1 GLU A 35 3.547 11.986 4.343 1.00 0.00 O ATOM 529 OE2 GLU A 35 1.882 12.804 5.605 1.00 0.00 O ATOM 0 H GLU A 35 1.865 10.706 7.759 1.00 0.00 H new ATOM 0 HA GLU A 35 1.050 8.451 6.574 1.00 0.00 H new ATOM 0 HB2 GLU A 35 3.637 9.966 6.115 1.00 0.00 H new ATOM 0 HB3 GLU A 35 3.054 8.715 5.036 1.00 0.00 H new ATOM 0 HG2 GLU A 35 1.563 10.133 4.074 1.00 0.00 H new ATOM 0 HG3 GLU A 35 0.886 10.570 5.631 1.00 0.00 H new ATOM 537 N LYS A 36 3.936 7.846 8.054 1.00 0.00 N ATOM 538 CA LYS A 36 4.784 6.786 8.572 1.00 0.00 C ATOM 539 C LYS A 36 3.918 5.758 9.303 1.00 0.00 C ATOM 540 O LYS A 36 4.084 4.554 9.114 1.00 0.00 O ATOM 541 CB LYS A 36 5.905 7.370 9.435 1.00 0.00 C ATOM 542 CG LYS A 36 7.257 6.756 9.064 1.00 0.00 C ATOM 543 CD LYS A 36 7.461 5.413 9.770 1.00 0.00 C ATOM 544 CE LYS A 36 8.703 5.447 10.662 1.00 0.00 C ATOM 545 NZ LYS A 36 8.622 4.397 11.702 1.00 0.00 N ATOM 0 H LYS A 36 4.282 8.790 8.223 1.00 0.00 H new ATOM 0 HA LYS A 36 5.281 6.262 7.755 1.00 0.00 H new ATOM 0 HB2 LYS A 36 5.944 8.451 9.304 1.00 0.00 H new ATOM 0 HB3 LYS A 36 5.693 7.184 10.488 1.00 0.00 H new ATOM 0 HG2 LYS A 36 7.313 6.616 7.985 1.00 0.00 H new ATOM 0 HG3 LYS A 36 8.059 7.441 9.338 1.00 0.00 H new ATOM 0 HD2 LYS A 36 6.583 5.177 10.371 1.00 0.00 H new ATOM 0 HD3 LYS A 36 7.562 4.620 9.029 1.00 0.00 H new ATOM 0 HE2 LYS A 36 9.597 5.299 10.056 1.00 0.00 H new ATOM 0 HE3 LYS A 36 8.794 6.426 11.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 9.473 4.433 12.299 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 7.779 4.555 12.290 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 8.557 3.463 11.248 1.00 0.00 H new ATOM 557 N ASP A 37 3.012 6.270 10.122 1.00 0.00 N ATOM 558 CA ASP A 37 2.120 5.411 10.883 1.00 0.00 C ATOM 559 C ASP A 37 1.052 4.837 9.948 1.00 0.00 C ATOM 560 O ASP A 37 0.524 3.754 10.194 1.00 0.00 O ATOM 561 CB ASP A 37 1.408 6.195 11.987 1.00 0.00 C ATOM 562 CG ASP A 37 0.902 5.350 13.157 1.00 0.00 C ATOM 563 OD1 ASP A 37 0.059 4.456 12.982 1.00 0.00 O ATOM 564 OD2 ASP A 37 1.415 5.641 14.304 1.00 0.00 O ATOM 0 H ASP A 37 2.876 7.269 10.276 1.00 0.00 H new ATOM 0 HA ASP A 37 2.718 4.618 11.332 1.00 0.00 H new ATOM 0 HB2 ASP A 37 2.091 6.951 12.373 1.00 0.00 H new ATOM 0 HB3 ASP A 37 0.562 6.724 11.548 1.00 0.00 H new ATOM 570 N ILE A 38 0.766 5.589 8.896 1.00 0.00 N ATOM 571 CA ILE A 38 -0.228 5.169 7.923 1.00 0.00 C ATOM 572 C ILE A 38 0.258 3.901 7.218 1.00 0.00 C ATOM 573 O ILE A 38 -0.429 2.880 7.227 1.00 0.00 O ATOM 574 CB ILE A 38 -0.559 6.316 6.966 1.00 0.00 C ATOM 575 CG1 ILE A 38 -1.013 7.559 7.735 1.00 0.00 C ATOM 576 CG2 ILE A 38 -1.590 5.879 5.923 1.00 0.00 C ATOM 577 CD1 ILE A 38 -1.530 8.637 6.779 1.00 0.00 C ATOM 0 H ILE A 38 1.205 6.487 8.696 1.00 0.00 H new ATOM 0 HA ILE A 38 -1.165 4.918 8.420 1.00 0.00 H new ATOM 0 HB ILE A 38 0.350 6.585 6.428 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -1.798 7.288 8.441 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -0.181 7.954 8.319 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -1.808 6.713 5.255 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -1.192 5.045 5.345 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -2.506 5.567 6.425 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -1.846 9.509 7.351 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -0.736 8.923 6.090 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -2.377 8.247 6.214 1.00 0.00 H new ATOM 589 N ALA A 39 1.438 4.007 6.625 1.00 0.00 N ATOM 590 CA ALA A 39 2.023 2.881 5.917 1.00 0.00 C ATOM 591 C ALA A 39 2.306 1.752 6.911 1.00 0.00 C ATOM 592 O ALA A 39 2.122 0.579 6.591 1.00 0.00 O ATOM 593 CB ALA A 39 3.283 3.340 5.181 1.00 0.00 C ATOM 0 H ALA A 39 2.005 4.855 6.620 1.00 0.00 H new ATOM 0 HA ALA A 39 1.331 2.496 5.168 1.00 0.00 H new ATOM 0 HB1 ALA A 39 3.722 2.496 4.650 1.00 0.00 H new ATOM 0 HB2 ALA A 39 3.023 4.122 4.468 1.00 0.00 H new ATOM 0 HB3 ALA A 39 4.003 3.730 5.901 1.00 0.00 H new ATOM 599 N ALA A 40 2.749 2.146 8.096 1.00 0.00 N ATOM 600 CA ALA A 40 3.059 1.182 9.137 1.00 0.00 C ATOM 601 C ALA A 40 1.771 0.486 9.582 1.00 0.00 C ATOM 602 O ALA A 40 1.798 -0.672 9.994 1.00 0.00 O ATOM 603 CB ALA A 40 3.770 1.888 10.292 1.00 0.00 C ATOM 0 H ALA A 40 2.901 3.120 8.358 1.00 0.00 H new ATOM 0 HA ALA A 40 3.735 0.414 8.760 1.00 0.00 H new ATOM 0 HB1 ALA A 40 4.002 1.164 11.073 1.00 0.00 H new ATOM 0 HB2 ALA A 40 4.693 2.340 9.929 1.00 0.00 H new ATOM 0 HB3 ALA A 40 3.122 2.664 10.698 1.00 0.00 H new ATOM 609 N TYR A 41 0.675 1.223 9.483 1.00 0.00 N ATOM 610 CA TYR A 41 -0.621 0.691 9.871 1.00 0.00 C ATOM 611 C TYR A 41 -1.156 -0.275 8.813 1.00 0.00 C ATOM 612 O TYR A 41 -1.817 -1.259 9.142 1.00 0.00 O ATOM 613 CB TYR A 41 -1.559 1.896 9.966 1.00 0.00 C ATOM 614 CG TYR A 41 -3.044 1.533 9.905 1.00 0.00 C ATOM 615 CD1 TYR A 41 -3.646 1.285 8.688 1.00 0.00 C ATOM 616 CD2 TYR A 41 -3.785 1.454 11.068 1.00 0.00 C ATOM 617 CE1 TYR A 41 -5.044 0.944 8.631 1.00 0.00 C ATOM 618 CE2 TYR A 41 -5.182 1.113 11.011 1.00 0.00 C ATOM 619 CZ TYR A 41 -5.743 0.876 9.795 1.00 0.00 C ATOM 620 OH TYR A 41 -7.063 0.554 9.741 1.00 0.00 O ATOM 0 H TYR A 41 0.657 2.183 9.140 1.00 0.00 H new ATOM 0 HA TYR A 41 -0.546 0.144 10.811 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -1.362 2.424 10.899 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -1.330 2.587 9.154 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -3.068 1.347 7.778 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -3.316 1.648 12.021 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -5.526 0.747 7.685 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -5.772 1.047 11.913 1.00 0.00 H new ATOM 0 HH TYR A 41 -7.434 0.542 10.648 1.00 0.00 H new ATOM 630 N ILE A 42 -0.850 0.038 7.562 1.00 0.00 N ATOM 631 CA ILE A 42 -1.293 -0.790 6.454 1.00 0.00 C ATOM 632 C ILE A 42 -0.574 -2.139 6.512 1.00 0.00 C ATOM 633 O ILE A 42 -1.217 -3.187 6.541 1.00 0.00 O ATOM 634 CB ILE A 42 -1.106 -0.052 5.126 1.00 0.00 C ATOM 635 CG1 ILE A 42 -1.817 1.304 5.148 1.00 0.00 C ATOM 636 CG2 ILE A 42 -1.561 -0.917 3.949 1.00 0.00 C ATOM 637 CD1 ILE A 42 -1.062 2.332 4.304 1.00 0.00 C ATOM 0 H ILE A 42 -0.301 0.854 7.292 1.00 0.00 H new ATOM 0 HA ILE A 42 -2.361 -0.993 6.533 1.00 0.00 H new ATOM 0 HB ILE A 42 -0.042 0.143 4.990 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -2.833 1.192 4.769 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -1.897 1.660 6.175 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -1.417 -0.369 3.018 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -0.974 -1.835 3.924 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -2.616 -1.164 4.066 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -1.588 3.286 4.336 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -0.055 2.459 4.701 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -1.005 1.984 3.273 1.00 0.00 H new ATOM 649 N LYS A 43 0.748 -2.069 6.529 1.00 0.00 N ATOM 650 CA LYS A 43 1.561 -3.272 6.584 1.00 0.00 C ATOM 651 C LYS A 43 1.235 -4.044 7.864 1.00 0.00 C ATOM 652 O LYS A 43 0.982 -5.247 7.821 1.00 0.00 O ATOM 653 CB LYS A 43 3.044 -2.925 6.436 1.00 0.00 C ATOM 654 CG LYS A 43 3.913 -3.858 7.282 1.00 0.00 C ATOM 655 CD LYS A 43 4.106 -3.298 8.692 1.00 0.00 C ATOM 656 CE LYS A 43 5.579 -3.347 9.105 1.00 0.00 C ATOM 657 NZ LYS A 43 6.205 -2.015 8.953 1.00 0.00 N ATOM 0 H LYS A 43 1.277 -1.197 6.506 1.00 0.00 H new ATOM 0 HA LYS A 43 1.326 -3.929 5.746 1.00 0.00 H new ATOM 0 HB2 LYS A 43 3.336 -3.001 5.389 1.00 0.00 H new ATOM 0 HB3 LYS A 43 3.211 -1.892 6.740 1.00 0.00 H new ATOM 0 HG2 LYS A 43 3.448 -4.842 7.338 1.00 0.00 H new ATOM 0 HG3 LYS A 43 4.883 -3.991 6.803 1.00 0.00 H new ATOM 0 HD2 LYS A 43 3.748 -2.269 8.731 1.00 0.00 H new ATOM 0 HD3 LYS A 43 3.507 -3.871 9.400 1.00 0.00 H new ATOM 0 HE2 LYS A 43 5.662 -3.678 10.140 1.00 0.00 H new ATOM 0 HE3 LYS A 43 6.110 -4.077 8.494 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 7.204 -2.066 9.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 6.143 -1.714 7.960 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 5.709 -1.327 9.555 1.00 0.00 H new ATOM 669 N LYS A 44 1.253 -3.321 8.974 1.00 0.00 N ATOM 670 CA LYS A 44 0.962 -3.923 10.265 1.00 0.00 C ATOM 671 C LYS A 44 -0.449 -4.513 10.241 1.00 0.00 C ATOM 672 O LYS A 44 -0.675 -5.612 10.744 1.00 0.00 O ATOM 673 CB LYS A 44 1.187 -2.911 11.390 1.00 0.00 C ATOM 674 CG LYS A 44 0.836 -3.519 12.750 1.00 0.00 C ATOM 675 CD LYS A 44 1.815 -3.050 13.829 1.00 0.00 C ATOM 676 CE LYS A 44 1.204 -1.933 14.677 1.00 0.00 C ATOM 677 NZ LYS A 44 0.151 -2.475 15.566 1.00 0.00 N ATOM 0 H LYS A 44 1.465 -2.324 9.007 1.00 0.00 H new ATOM 0 HA LYS A 44 1.648 -4.746 10.466 1.00 0.00 H new ATOM 0 HB2 LYS A 44 2.228 -2.587 11.390 1.00 0.00 H new ATOM 0 HB3 LYS A 44 0.577 -2.025 11.215 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -0.180 -3.236 13.028 1.00 0.00 H new ATOM 0 HG3 LYS A 44 0.857 -4.607 12.683 1.00 0.00 H new ATOM 0 HD2 LYS A 44 2.086 -3.890 14.469 1.00 0.00 H new ATOM 0 HD3 LYS A 44 2.734 -2.695 13.362 1.00 0.00 H new ATOM 0 HE2 LYS A 44 1.981 -1.454 15.273 1.00 0.00 H new ATOM 0 HE3 LYS A 44 0.781 -1.165 14.029 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -0.027 -1.806 16.342 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -0.724 -2.615 15.022 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 0.463 -3.386 15.959 1.00 0.00 H new ATOM 689 N GLU A 45 -1.363 -3.755 9.653 1.00 0.00 N ATOM 690 CA GLU A 45 -2.746 -4.190 9.557 1.00 0.00 C ATOM 691 C GLU A 45 -2.829 -5.554 8.869 1.00 0.00 C ATOM 692 O GLU A 45 -3.497 -6.461 9.361 1.00 0.00 O ATOM 693 CB GLU A 45 -3.596 -3.152 8.820 1.00 0.00 C ATOM 694 CG GLU A 45 -4.956 -3.736 8.429 1.00 0.00 C ATOM 695 CD GLU A 45 -5.812 -4.008 9.667 1.00 0.00 C ATOM 696 OE1 GLU A 45 -5.630 -5.039 10.332 1.00 0.00 O ATOM 697 OE2 GLU A 45 -6.691 -3.102 9.932 1.00 0.00 O ATOM 0 H GLU A 45 -1.173 -2.843 9.238 1.00 0.00 H new ATOM 0 HA GLU A 45 -3.145 -4.290 10.566 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -3.740 -2.278 9.455 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -3.071 -2.814 7.927 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -5.477 -3.043 7.768 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -4.812 -4.662 7.872 1.00 0.00 H new ATOM 705 N PHE A 46 -2.139 -5.655 7.742 1.00 0.00 N ATOM 706 CA PHE A 46 -2.125 -6.895 6.983 1.00 0.00 C ATOM 707 C PHE A 46 -1.235 -7.941 7.656 1.00 0.00 C ATOM 708 O PHE A 46 -1.728 -8.944 8.168 1.00 0.00 O ATOM 709 CB PHE A 46 -1.552 -6.566 5.602 1.00 0.00 C ATOM 710 CG PHE A 46 -2.613 -6.367 4.519 1.00 0.00 C ATOM 711 CD1 PHE A 46 -3.590 -7.298 4.345 1.00 0.00 C ATOM 712 CD2 PHE A 46 -2.581 -5.260 3.731 1.00 0.00 C ATOM 713 CE1 PHE A 46 -4.575 -7.114 3.340 1.00 0.00 C ATOM 714 CE2 PHE A 46 -3.567 -5.075 2.726 1.00 0.00 C ATOM 715 CZ PHE A 46 -4.543 -6.005 2.550 1.00 0.00 C ATOM 0 H PHE A 46 -1.586 -4.900 7.336 1.00 0.00 H new ATOM 0 HA PHE A 46 -3.133 -7.304 6.919 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -0.949 -5.661 5.676 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -0.883 -7.370 5.297 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -3.616 -8.177 4.972 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -1.806 -4.521 3.869 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -5.350 -7.853 3.202 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -3.542 -4.195 2.101 1.00 0.00 H new ATOM 0 HZ PHE A 46 -5.292 -5.865 1.785 1.00 0.00 H new ATOM 725 N ASP A 47 0.062 -7.670 7.634 1.00 0.00 N ATOM 726 CA ASP A 47 1.026 -8.576 8.236 1.00 0.00 C ATOM 727 C ASP A 47 0.419 -9.197 9.495 1.00 0.00 C ATOM 728 O ASP A 47 0.693 -10.352 9.816 1.00 0.00 O ATOM 729 CB ASP A 47 2.300 -7.833 8.642 1.00 0.00 C ATOM 730 CG ASP A 47 2.389 -7.466 10.125 1.00 0.00 C ATOM 731 OD1 ASP A 47 1.460 -6.871 10.692 1.00 0.00 O ATOM 732 OD2 ASP A 47 3.483 -7.818 10.710 1.00 0.00 O ATOM 0 H ASP A 47 0.468 -6.836 7.209 1.00 0.00 H new ATOM 0 HA ASP A 47 1.274 -9.342 7.501 1.00 0.00 H new ATOM 0 HB2 ASP A 47 3.161 -8.450 8.383 1.00 0.00 H new ATOM 0 HB3 ASP A 47 2.374 -6.920 8.052 1.00 0.00 H new ATOM 738 N LYS A 48 -0.397 -8.403 10.174 1.00 0.00 N ATOM 739 CA LYS A 48 -1.046 -8.860 11.390 1.00 0.00 C ATOM 740 C LYS A 48 -1.381 -10.347 11.257 1.00 0.00 C ATOM 741 O LYS A 48 -0.689 -11.197 11.816 1.00 0.00 O ATOM 742 CB LYS A 48 -2.256 -7.983 11.715 1.00 0.00 C ATOM 743 CG LYS A 48 -3.031 -8.538 12.912 1.00 0.00 C ATOM 744 CD LYS A 48 -2.972 -7.573 14.097 1.00 0.00 C ATOM 745 CE LYS A 48 -4.294 -6.822 14.260 1.00 0.00 C ATOM 746 NZ LYS A 48 -4.368 -6.184 15.594 1.00 0.00 N ATOM 0 H LYS A 48 -0.623 -7.446 9.904 1.00 0.00 H new ATOM 0 HA LYS A 48 -0.373 -8.760 12.241 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -1.926 -6.967 11.931 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -2.913 -7.927 10.847 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -4.070 -8.710 12.630 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -2.616 -9.503 13.203 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -2.749 -8.126 15.010 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -2.161 -6.860 13.950 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -4.386 -6.064 13.482 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -5.129 -7.512 14.134 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -5.272 -5.679 15.687 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -4.301 -6.914 16.332 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -3.582 -5.511 15.701 1.00 0.00 H new ATOM 758 N LYS A 49 -2.443 -10.616 10.511 1.00 0.00 N ATOM 759 CA LYS A 49 -2.879 -11.985 10.297 1.00 0.00 C ATOM 760 C LYS A 49 -3.160 -12.199 8.808 1.00 0.00 C ATOM 761 O LYS A 49 -4.306 -12.407 8.413 1.00 0.00 O ATOM 762 CB LYS A 49 -4.068 -12.317 11.201 1.00 0.00 C ATOM 763 CG LYS A 49 -4.408 -13.807 11.135 1.00 0.00 C ATOM 764 CD LYS A 49 -4.285 -14.459 12.514 1.00 0.00 C ATOM 765 CE LYS A 49 -5.463 -15.397 12.784 1.00 0.00 C ATOM 766 NZ LYS A 49 -5.220 -16.196 14.006 1.00 0.00 N ATOM 0 H LYS A 49 -3.014 -9.909 10.048 1.00 0.00 H new ATOM 0 HA LYS A 49 -2.091 -12.684 10.577 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -3.837 -12.038 12.229 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -4.935 -11.729 10.899 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -5.422 -13.936 10.757 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -3.740 -14.305 10.432 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -3.350 -15.017 12.575 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -4.246 -13.687 13.283 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -6.379 -14.817 12.898 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -5.610 -16.061 11.932 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -6.029 -16.827 14.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -4.357 -16.764 13.884 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -5.102 -15.559 14.820 1.00 0.00 H new ATOM 778 N TYR A 50 -2.095 -12.141 8.023 1.00 0.00 N ATOM 779 CA TYR A 50 -2.212 -12.325 6.587 1.00 0.00 C ATOM 780 C TYR A 50 -1.026 -13.121 6.037 1.00 0.00 C ATOM 781 O TYR A 50 -1.189 -14.255 5.590 1.00 0.00 O ATOM 782 CB TYR A 50 -2.195 -10.922 5.978 1.00 0.00 C ATOM 783 CG TYR A 50 -2.936 -10.813 4.645 1.00 0.00 C ATOM 784 CD1 TYR A 50 -4.124 -11.489 4.457 1.00 0.00 C ATOM 785 CD2 TYR A 50 -2.416 -10.037 3.628 1.00 0.00 C ATOM 786 CE1 TYR A 50 -4.822 -11.387 3.202 1.00 0.00 C ATOM 787 CE2 TYR A 50 -3.114 -9.934 2.372 1.00 0.00 C ATOM 788 CZ TYR A 50 -4.282 -10.614 2.221 1.00 0.00 C ATOM 789 OH TYR A 50 -4.941 -10.517 1.036 1.00 0.00 O ATOM 0 H TYR A 50 -1.146 -11.969 8.355 1.00 0.00 H new ATOM 0 HA TYR A 50 -3.121 -12.875 6.344 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -2.640 -10.224 6.687 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -1.160 -10.613 5.833 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -4.531 -12.096 5.253 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -1.486 -9.507 3.774 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -5.752 -11.912 3.043 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -2.719 -9.330 1.568 1.00 0.00 H new ATOM 0 HH TYR A 50 -5.901 -10.647 1.184 1.00 0.00 H new ATOM 799 N ASN A 51 0.141 -12.495 6.089 1.00 0.00 N ATOM 800 CA ASN A 51 1.353 -13.130 5.602 1.00 0.00 C ATOM 801 C ASN A 51 2.549 -12.217 5.879 1.00 0.00 C ATOM 802 O ASN A 51 3.100 -11.615 4.960 1.00 0.00 O ATOM 803 CB ASN A 51 1.281 -13.370 4.093 1.00 0.00 C ATOM 804 CG ASN A 51 1.817 -14.756 3.732 1.00 0.00 C ATOM 805 OD1 ASN A 51 1.812 -15.680 4.529 1.00 0.00 O ATOM 806 ND2 ASN A 51 2.280 -14.851 2.488 1.00 0.00 N ATOM 0 H ASN A 51 0.272 -11.554 6.461 1.00 0.00 H new ATOM 0 HA ASN A 51 1.462 -14.086 6.114 1.00 0.00 H new ATOM 0 HB2 ASN A 51 0.249 -13.276 3.755 1.00 0.00 H new ATOM 0 HB3 ASN A 51 1.858 -12.606 3.572 1.00 0.00 H new ATOM 0 HD21 ASN A 51 2.660 -15.736 2.151 1.00 0.00 H new ATOM 0 HD22 ASN A 51 2.255 -14.039 1.871 1.00 0.00 H new ATOM 813 N PRO A 52 2.924 -12.141 7.185 1.00 0.00 N ATOM 814 CA PRO A 52 4.043 -11.312 7.594 1.00 0.00 C ATOM 815 C PRO A 52 5.376 -11.961 7.214 1.00 0.00 C ATOM 816 O PRO A 52 5.442 -13.172 7.004 1.00 0.00 O ATOM 817 CB PRO A 52 3.876 -11.137 9.095 1.00 0.00 C ATOM 818 CG PRO A 52 2.940 -12.248 9.542 1.00 0.00 C ATOM 819 CD PRO A 52 2.293 -12.841 8.301 1.00 0.00 C ATOM 0 HA PRO A 52 4.054 -10.345 7.092 1.00 0.00 H new ATOM 0 HB2 PRO A 52 4.836 -11.206 9.606 1.00 0.00 H new ATOM 0 HB3 PRO A 52 3.460 -10.157 9.330 1.00 0.00 H new ATOM 0 HG2 PRO A 52 3.490 -13.014 10.088 1.00 0.00 H new ATOM 0 HG3 PRO A 52 2.180 -11.858 10.219 1.00 0.00 H new ATOM 0 HD2 PRO A 52 2.462 -13.916 8.241 1.00 0.00 H new ATOM 0 HD3 PRO A 52 1.214 -12.688 8.305 1.00 0.00 H new ATOM 827 N THR A 53 6.403 -11.129 7.136 1.00 0.00 N ATOM 828 CA THR A 53 6.237 -9.710 7.400 1.00 0.00 C ATOM 829 C THR A 53 6.130 -8.932 6.087 1.00 0.00 C ATOM 830 O THR A 53 6.678 -9.348 5.068 1.00 0.00 O ATOM 831 CB THR A 53 7.402 -9.254 8.282 1.00 0.00 C ATOM 832 OG1 THR A 53 7.215 -7.846 8.403 1.00 0.00 O ATOM 833 CG2 THR A 53 8.756 -9.392 7.582 1.00 0.00 C ATOM 0 H THR A 53 7.353 -11.410 6.894 1.00 0.00 H new ATOM 0 HA THR A 53 5.308 -9.514 7.935 1.00 0.00 H new ATOM 0 HB THR A 53 7.409 -9.836 9.203 1.00 0.00 H new ATOM 0 HG1 THR A 53 7.926 -7.468 8.961 1.00 0.00 H new ATOM 0 HG21 THR A 53 9.548 -9.055 8.251 1.00 0.00 H new ATOM 0 HG22 THR A 53 8.924 -10.436 7.318 1.00 0.00 H new ATOM 0 HG23 THR A 53 8.762 -8.783 6.678 1.00 0.00 H new ATOM 841 N TRP A 54 5.420 -7.815 6.154 1.00 0.00 N ATOM 842 CA TRP A 54 5.232 -6.976 4.983 1.00 0.00 C ATOM 843 C TRP A 54 6.181 -5.781 5.102 1.00 0.00 C ATOM 844 O TRP A 54 6.495 -5.341 6.207 1.00 0.00 O ATOM 845 CB TRP A 54 3.768 -6.563 4.833 1.00 0.00 C ATOM 846 CG TRP A 54 2.812 -7.734 4.591 1.00 0.00 C ATOM 847 CD1 TRP A 54 2.474 -8.711 5.444 1.00 0.00 C ATOM 848 CD2 TRP A 54 2.083 -8.014 3.378 1.00 0.00 C ATOM 849 NE1 TRP A 54 1.583 -9.596 4.872 1.00 0.00 N ATOM 850 CE2 TRP A 54 1.337 -9.158 3.575 1.00 0.00 C ATOM 851 CE3 TRP A 54 2.053 -7.321 2.154 1.00 0.00 C ATOM 852 CZ2 TRP A 54 0.508 -9.712 2.592 1.00 0.00 C ATOM 853 CZ3 TRP A 54 1.220 -7.888 1.182 1.00 0.00 C ATOM 854 CH2 TRP A 54 0.464 -9.039 1.365 1.00 0.00 C ATOM 0 H TRP A 54 4.968 -7.472 7.001 1.00 0.00 H new ATOM 0 HA TRP A 54 5.473 -7.525 4.073 1.00 0.00 H new ATOM 0 HB2 TRP A 54 3.457 -6.033 5.733 1.00 0.00 H new ATOM 0 HB3 TRP A 54 3.683 -5.860 4.004 1.00 0.00 H new ATOM 0 HD1 TRP A 54 2.852 -8.795 6.452 1.00 0.00 H new ATOM 0 HE1 TRP A 54 1.179 -10.420 5.318 1.00 0.00 H new ATOM 0 HE3 TRP A 54 2.627 -6.423 1.978 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -0.066 -10.609 2.770 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 1.161 -7.396 0.222 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -0.156 -9.413 0.564 1.00 0.00 H new ATOM 865 N HIS A 55 6.611 -5.290 3.949 1.00 0.00 N ATOM 866 CA HIS A 55 7.517 -4.154 3.910 1.00 0.00 C ATOM 867 C HIS A 55 6.927 -3.057 3.023 1.00 0.00 C ATOM 868 O HIS A 55 6.736 -3.258 1.824 1.00 0.00 O ATOM 869 CB HIS A 55 8.914 -4.590 3.464 1.00 0.00 C ATOM 870 CG HIS A 55 9.457 -5.780 4.219 1.00 0.00 C ATOM 871 ND1 HIS A 55 10.306 -6.709 3.644 1.00 0.00 N ATOM 872 CD2 HIS A 55 9.262 -6.183 5.509 1.00 0.00 C ATOM 873 CE1 HIS A 55 10.602 -7.625 4.554 1.00 0.00 C ATOM 874 NE2 HIS A 55 9.954 -7.297 5.709 1.00 0.00 N ATOM 0 H HIS A 55 6.349 -5.658 3.034 1.00 0.00 H new ATOM 0 HA HIS A 55 7.631 -3.740 4.912 1.00 0.00 H new ATOM 0 HB2 HIS A 55 8.887 -4.829 2.401 1.00 0.00 H new ATOM 0 HB3 HIS A 55 9.601 -3.752 3.585 1.00 0.00 H new ATOM 0 HD1 HIS A 55 10.646 -6.691 2.683 1.00 0.00 H new ATOM 0 HD2 HIS A 55 8.649 -5.680 6.242 1.00 0.00 H new ATOM 0 HE1 HIS A 55 11.244 -8.481 4.407 1.00 0.00 H new ATOM 882 N CYS A 56 6.654 -1.920 3.645 1.00 0.00 N ATOM 883 CA CYS A 56 6.089 -0.790 2.927 1.00 0.00 C ATOM 884 C CYS A 56 7.084 0.369 2.997 1.00 0.00 C ATOM 885 O CYS A 56 7.865 0.465 3.943 1.00 0.00 O ATOM 886 CB CYS A 56 4.717 -0.398 3.477 1.00 0.00 C ATOM 887 SG CYS A 56 4.899 0.356 5.135 1.00 0.00 S ATOM 0 H CYS A 56 6.814 -1.757 4.639 1.00 0.00 H new ATOM 0 HA CYS A 56 5.924 -1.064 1.885 1.00 0.00 H new ATOM 0 HB2 CYS A 56 4.232 0.305 2.800 1.00 0.00 H new ATOM 0 HB3 CYS A 56 4.075 -1.277 3.537 1.00 0.00 H new ATOM 0 HG CYS A 56 3.781 0.243 5.788 1.00 0.00 H new ATOM 893 N ILE A 57 7.024 1.221 1.984 1.00 0.00 N ATOM 894 CA ILE A 57 7.910 2.371 1.919 1.00 0.00 C ATOM 895 C ILE A 57 7.105 3.608 1.516 1.00 0.00 C ATOM 896 O ILE A 57 6.134 3.505 0.768 1.00 0.00 O ATOM 897 CB ILE A 57 9.095 2.082 0.995 1.00 0.00 C ATOM 898 CG1 ILE A 57 9.815 0.797 1.413 1.00 0.00 C ATOM 899 CG2 ILE A 57 10.047 3.278 0.935 1.00 0.00 C ATOM 900 CD1 ILE A 57 10.698 1.037 2.639 1.00 0.00 C ATOM 0 H ILE A 57 6.375 1.138 1.201 1.00 0.00 H new ATOM 0 HA ILE A 57 8.341 2.576 2.899 1.00 0.00 H new ATOM 0 HB ILE A 57 8.712 1.924 -0.013 1.00 0.00 H new ATOM 0 HG12 ILE A 57 9.082 0.021 1.634 1.00 0.00 H new ATOM 0 HG13 ILE A 57 10.425 0.433 0.587 1.00 0.00 H new ATOM 0 HG21 ILE A 57 10.880 3.047 0.272 1.00 0.00 H new ATOM 0 HG22 ILE A 57 9.513 4.149 0.556 1.00 0.00 H new ATOM 0 HG23 ILE A 57 10.427 3.491 1.934 1.00 0.00 H new ATOM 0 HD11 ILE A 57 11.198 0.108 2.915 1.00 0.00 H new ATOM 0 HD12 ILE A 57 11.445 1.796 2.406 1.00 0.00 H new ATOM 0 HD13 ILE A 57 10.081 1.378 3.471 1.00 0.00 H new ATOM 912 N VAL A 58 7.538 4.750 2.031 1.00 0.00 N ATOM 913 CA VAL A 58 6.870 6.005 1.733 1.00 0.00 C ATOM 914 C VAL A 58 7.914 7.055 1.351 1.00 0.00 C ATOM 915 O VAL A 58 8.490 7.710 2.219 1.00 0.00 O ATOM 916 CB VAL A 58 6.003 6.429 2.921 1.00 0.00 C ATOM 917 CG1 VAL A 58 5.268 7.738 2.622 1.00 0.00 C ATOM 918 CG2 VAL A 58 5.017 5.323 3.303 1.00 0.00 C ATOM 0 H VAL A 58 8.343 4.832 2.652 1.00 0.00 H new ATOM 0 HA VAL A 58 6.199 5.889 0.882 1.00 0.00 H new ATOM 0 HB VAL A 58 6.661 6.600 3.773 1.00 0.00 H new ATOM 0 HG11 VAL A 58 4.659 8.018 3.482 1.00 0.00 H new ATOM 0 HG12 VAL A 58 5.994 8.525 2.420 1.00 0.00 H new ATOM 0 HG13 VAL A 58 4.627 7.604 1.751 1.00 0.00 H new ATOM 0 HG21 VAL A 58 4.413 5.650 4.150 1.00 0.00 H new ATOM 0 HG22 VAL A 58 4.366 5.107 2.456 1.00 0.00 H new ATOM 0 HG23 VAL A 58 5.568 4.423 3.576 1.00 0.00 H new ATOM 1108 N ARG A 71 6.400 -10.748 -3.430 1.00 0.00 N ATOM 1109 CA ARG A 71 5.251 -11.611 -3.643 1.00 0.00 C ATOM 1110 C ARG A 71 4.016 -10.774 -3.986 1.00 0.00 C ATOM 1111 O ARG A 71 3.479 -10.877 -5.088 1.00 0.00 O ATOM 1112 CB ARG A 71 4.957 -12.455 -2.401 1.00 0.00 C ATOM 1113 CG ARG A 71 5.845 -13.699 -2.362 1.00 0.00 C ATOM 1114 CD ARG A 71 7.131 -13.431 -1.577 1.00 0.00 C ATOM 1115 NE ARG A 71 8.309 -13.634 -2.451 1.00 0.00 N ATOM 1116 CZ ARG A 71 8.828 -14.844 -2.752 1.00 0.00 C ATOM 1117 NH1 ARG A 71 8.276 -15.970 -2.250 1.00 0.00 N ATOM 1118 NH2 ARG A 71 9.883 -14.910 -3.543 1.00 0.00 N ATOM 0 HA ARG A 71 5.486 -12.277 -4.473 1.00 0.00 H new ATOM 0 HB2 ARG A 71 5.121 -11.858 -1.504 1.00 0.00 H new ATOM 0 HB3 ARG A 71 3.908 -12.752 -2.399 1.00 0.00 H new ATOM 0 HG2 ARG A 71 5.300 -14.525 -1.904 1.00 0.00 H new ATOM 0 HG3 ARG A 71 6.092 -14.006 -3.378 1.00 0.00 H new ATOM 0 HD2 ARG A 71 7.126 -12.412 -1.191 1.00 0.00 H new ATOM 0 HD3 ARG A 71 7.187 -14.097 -0.716 1.00 0.00 H new ATOM 0 HE ARG A 71 8.756 -12.809 -2.850 1.00 0.00 H new ATOM 0 HH11 ARG A 71 7.461 -15.910 -1.639 1.00 0.00 H new ATOM 0 HH12 ARG A 71 8.674 -16.880 -2.482 1.00 0.00 H new ATOM 0 HH21 ARG A 71 10.294 -14.055 -3.917 1.00 0.00 H new ATOM 0 HH22 ARG A 71 10.287 -15.816 -3.780 1.00 0.00 H new ATOM 1131 N HIS A 72 3.604 -9.964 -3.022 1.00 0.00 N ATOM 1132 CA HIS A 72 2.442 -9.111 -3.209 1.00 0.00 C ATOM 1133 C HIS A 72 2.810 -7.664 -2.873 1.00 0.00 C ATOM 1134 O HIS A 72 3.210 -7.366 -1.749 1.00 0.00 O ATOM 1135 CB HIS A 72 1.254 -9.625 -2.394 1.00 0.00 C ATOM 1136 CG HIS A 72 0.386 -10.617 -3.133 1.00 0.00 C ATOM 1137 ND1 HIS A 72 0.883 -11.472 -4.100 1.00 0.00 N ATOM 1138 CD2 HIS A 72 -0.949 -10.879 -3.034 1.00 0.00 C ATOM 1139 CE1 HIS A 72 -0.117 -12.212 -4.558 1.00 0.00 C ATOM 1140 NE2 HIS A 72 -1.251 -11.842 -3.896 1.00 0.00 N ATOM 0 H HIS A 72 4.053 -9.880 -2.110 1.00 0.00 H new ATOM 0 HA HIS A 72 2.130 -9.138 -4.253 1.00 0.00 H new ATOM 0 HB2 HIS A 72 1.627 -10.092 -1.482 1.00 0.00 H new ATOM 0 HB3 HIS A 72 0.641 -8.777 -2.090 1.00 0.00 H new ATOM 0 HD1 HIS A 72 1.854 -11.524 -4.408 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -1.642 -10.387 -2.368 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -0.046 -12.973 -5.321 1.00 0.00 H new ATOM 1148 N PHE A 73 2.660 -6.802 -3.869 1.00 0.00 N ATOM 1149 CA PHE A 73 2.972 -5.394 -3.693 1.00 0.00 C ATOM 1150 C PHE A 73 1.954 -4.513 -4.421 1.00 0.00 C ATOM 1151 O PHE A 73 1.230 -4.986 -5.296 1.00 0.00 O ATOM 1152 CB PHE A 73 4.356 -5.163 -4.302 1.00 0.00 C ATOM 1153 CG PHE A 73 4.616 -5.964 -5.579 1.00 0.00 C ATOM 1154 CD1 PHE A 73 4.894 -7.293 -5.504 1.00 0.00 C ATOM 1155 CD2 PHE A 73 4.570 -5.347 -6.790 1.00 0.00 C ATOM 1156 CE1 PHE A 73 5.135 -8.036 -6.690 1.00 0.00 C ATOM 1157 CE2 PHE A 73 4.811 -6.089 -7.976 1.00 0.00 C ATOM 1158 CZ PHE A 73 5.089 -7.418 -7.901 1.00 0.00 C ATOM 0 H PHE A 73 2.327 -7.052 -4.800 1.00 0.00 H new ATOM 0 HA PHE A 73 2.945 -5.136 -2.634 1.00 0.00 H new ATOM 0 HB2 PHE A 73 4.473 -4.102 -4.521 1.00 0.00 H new ATOM 0 HB3 PHE A 73 5.114 -5.421 -3.563 1.00 0.00 H new ATOM 0 HD1 PHE A 73 4.932 -7.783 -4.543 1.00 0.00 H new ATOM 0 HD2 PHE A 73 4.350 -4.291 -6.850 1.00 0.00 H new ATOM 0 HE1 PHE A 73 5.355 -9.092 -6.631 1.00 0.00 H new ATOM 0 HE2 PHE A 73 4.774 -5.598 -8.937 1.00 0.00 H new ATOM 0 HZ PHE A 73 5.273 -7.983 -8.803 1.00 0.00 H new ATOM 1168 N ILE A 74 1.932 -3.246 -4.033 1.00 0.00 N ATOM 1169 CA ILE A 74 1.014 -2.295 -4.637 1.00 0.00 C ATOM 1170 C ILE A 74 1.513 -0.873 -4.369 1.00 0.00 C ATOM 1171 O ILE A 74 1.628 -0.459 -3.217 1.00 0.00 O ATOM 1172 CB ILE A 74 -0.415 -2.548 -4.154 1.00 0.00 C ATOM 1173 CG1 ILE A 74 -1.256 -1.272 -4.240 1.00 0.00 C ATOM 1174 CG2 ILE A 74 -0.421 -3.144 -2.745 1.00 0.00 C ATOM 1175 CD1 ILE A 74 -2.737 -1.576 -4.010 1.00 0.00 C ATOM 0 H ILE A 74 2.535 -2.856 -3.308 1.00 0.00 H new ATOM 0 HA ILE A 74 0.986 -2.425 -5.719 1.00 0.00 H new ATOM 0 HB ILE A 74 -0.874 -3.283 -4.816 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -0.909 -0.553 -3.498 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -1.123 -0.810 -5.218 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -1.449 -3.314 -2.426 1.00 0.00 H new ATOM 0 HG22 ILE A 74 0.119 -4.091 -2.748 1.00 0.00 H new ATOM 0 HG23 ILE A 74 0.063 -2.452 -2.055 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -3.313 -0.653 -4.076 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -3.087 -2.277 -4.768 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -2.869 -2.016 -3.021 1.00 0.00 H new ATOM 1187 N TYR A 75 1.794 -0.165 -5.453 1.00 0.00 N ATOM 1188 CA TYR A 75 2.278 1.202 -5.349 1.00 0.00 C ATOM 1189 C TYR A 75 1.249 2.189 -5.902 1.00 0.00 C ATOM 1190 O TYR A 75 0.943 2.171 -7.094 1.00 0.00 O ATOM 1191 CB TYR A 75 3.543 1.268 -6.206 1.00 0.00 C ATOM 1192 CG TYR A 75 3.942 2.686 -6.619 1.00 0.00 C ATOM 1193 CD1 TYR A 75 3.805 3.729 -5.725 1.00 0.00 C ATOM 1194 CD2 TYR A 75 4.437 2.923 -7.885 1.00 0.00 C ATOM 1195 CE1 TYR A 75 4.180 5.063 -6.113 1.00 0.00 C ATOM 1196 CE2 TYR A 75 4.813 4.258 -8.273 1.00 0.00 C ATOM 1197 CZ TYR A 75 4.666 5.263 -7.368 1.00 0.00 C ATOM 1198 OH TYR A 75 5.020 6.523 -7.735 1.00 0.00 O ATOM 0 H TYR A 75 1.696 -0.512 -6.407 1.00 0.00 H new ATOM 0 HA TYR A 75 2.465 1.466 -4.308 1.00 0.00 H new ATOM 0 HB2 TYR A 75 4.367 0.816 -5.654 1.00 0.00 H new ATOM 0 HB3 TYR A 75 3.393 0.668 -7.103 1.00 0.00 H new ATOM 0 HD1 TYR A 75 3.416 3.544 -4.734 1.00 0.00 H new ATOM 0 HD2 TYR A 75 4.542 2.107 -8.585 1.00 0.00 H new ATOM 0 HE1 TYR A 75 4.078 5.888 -5.423 1.00 0.00 H new ATOM 0 HE2 TYR A 75 5.203 4.457 -9.260 1.00 0.00 H new ATOM 0 HH TYR A 75 5.351 6.514 -8.657 1.00 0.00 H new ATOM 1208 N PHE A 76 0.743 3.030 -5.011 1.00 0.00 N ATOM 1209 CA PHE A 76 -0.244 4.024 -5.395 1.00 0.00 C ATOM 1210 C PHE A 76 -0.077 5.307 -4.578 1.00 0.00 C ATOM 1211 O PHE A 76 0.785 5.383 -3.704 1.00 0.00 O ATOM 1212 CB PHE A 76 -1.621 3.423 -5.102 1.00 0.00 C ATOM 1213 CG PHE A 76 -1.764 2.854 -3.690 1.00 0.00 C ATOM 1214 CD1 PHE A 76 -1.039 1.765 -3.319 1.00 0.00 C ATOM 1215 CD2 PHE A 76 -2.616 3.437 -2.805 1.00 0.00 C ATOM 1216 CE1 PHE A 76 -1.172 1.236 -2.008 1.00 0.00 C ATOM 1217 CE2 PHE A 76 -2.749 2.909 -1.493 1.00 0.00 C ATOM 1218 CZ PHE A 76 -2.024 1.820 -1.123 1.00 0.00 C ATOM 0 H PHE A 76 0.999 3.043 -4.024 1.00 0.00 H new ATOM 0 HA PHE A 76 -0.126 4.278 -6.448 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -2.380 4.191 -5.252 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -1.821 2.631 -5.824 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -0.362 1.302 -4.022 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -3.192 4.302 -3.100 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -0.597 0.370 -1.714 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -3.425 3.372 -0.790 1.00 0.00 H new ATOM 0 HZ PHE A 76 -2.125 1.418 -0.126 1.00 0.00 H new ATOM 1228 N TYR A 77 -0.917 6.283 -4.892 1.00 0.00 N ATOM 1229 CA TYR A 77 -0.872 7.559 -4.198 1.00 0.00 C ATOM 1230 C TYR A 77 -2.018 7.676 -3.192 1.00 0.00 C ATOM 1231 O TYR A 77 -3.188 7.665 -3.573 1.00 0.00 O ATOM 1232 CB TYR A 77 -1.046 8.631 -5.276 1.00 0.00 C ATOM 1233 CG TYR A 77 -0.480 10.000 -4.890 1.00 0.00 C ATOM 1234 CD1 TYR A 77 0.832 10.112 -4.477 1.00 0.00 C ATOM 1235 CD2 TYR A 77 -1.282 11.121 -4.954 1.00 0.00 C ATOM 1236 CE1 TYR A 77 1.364 11.400 -4.113 1.00 0.00 C ATOM 1237 CE2 TYR A 77 -0.750 12.409 -4.590 1.00 0.00 C ATOM 1238 CZ TYR A 77 0.547 12.484 -4.187 1.00 0.00 C ATOM 1239 OH TYR A 77 1.050 13.700 -3.844 1.00 0.00 O ATOM 0 H TYR A 77 -1.632 6.216 -5.617 1.00 0.00 H new ATOM 0 HA TYR A 77 0.064 7.665 -3.649 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -0.560 8.293 -6.191 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -2.107 8.738 -5.499 1.00 0.00 H new ATOM 0 HD1 TYR A 77 1.459 9.234 -4.427 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -2.309 11.033 -5.277 1.00 0.00 H new ATOM 0 HE1 TYR A 77 2.389 11.502 -3.789 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -1.366 13.295 -4.636 1.00 0.00 H new ATOM 0 HH TYR A 77 1.631 13.604 -3.061 1.00 0.00 H new ATOM 1249 N LEU A 78 -1.642 7.785 -1.926 1.00 0.00 N ATOM 1250 CA LEU A 78 -2.624 7.903 -0.861 1.00 0.00 C ATOM 1251 C LEU A 78 -2.791 9.378 -0.488 1.00 0.00 C ATOM 1252 O LEU A 78 -1.842 10.020 -0.041 1.00 0.00 O ATOM 1253 CB LEU A 78 -2.243 7.009 0.321 1.00 0.00 C ATOM 1254 CG LEU A 78 -3.392 6.245 0.982 1.00 0.00 C ATOM 1255 CD1 LEU A 78 -4.243 5.521 -0.064 1.00 0.00 C ATOM 1256 CD2 LEU A 78 -2.869 5.289 2.056 1.00 0.00 C ATOM 0 H LEU A 78 -0.671 7.794 -1.614 1.00 0.00 H new ATOM 0 HA LEU A 78 -3.597 7.547 -1.199 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -1.501 6.287 -0.020 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -1.761 7.628 1.078 1.00 0.00 H new ATOM 0 HG LEU A 78 -4.039 6.967 1.481 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -5.052 4.986 0.433 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -4.662 6.249 -0.759 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -3.622 4.812 -0.611 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -3.706 4.759 2.510 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -2.187 4.570 1.602 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -2.341 5.856 2.822 1.00 0.00 H new ATOM 1268 N GLY A 79 -4.005 9.871 -0.687 1.00 0.00 N ATOM 1269 CA GLY A 79 -4.308 11.258 -0.377 1.00 0.00 C ATOM 1270 C GLY A 79 -3.489 12.208 -1.254 1.00 0.00 C ATOM 1271 O GLY A 79 -3.970 12.677 -2.285 1.00 0.00 O ATOM 0 H GLY A 79 -4.789 9.335 -1.059 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -5.371 11.444 -0.528 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -4.096 11.454 0.674 1.00 0.00 H new ATOM 1275 N GLN A 80 -2.266 12.462 -0.814 1.00 0.00 N ATOM 1276 CA GLN A 80 -1.375 13.347 -1.546 1.00 0.00 C ATOM 1277 C GLN A 80 0.079 12.906 -1.365 1.00 0.00 C ATOM 1278 O GLN A 80 0.991 13.729 -1.423 1.00 0.00 O ATOM 1279 CB GLN A 80 -1.567 14.801 -1.110 1.00 0.00 C ATOM 1280 CG GLN A 80 -1.316 15.760 -2.276 1.00 0.00 C ATOM 1281 CD GLN A 80 -0.437 16.934 -1.839 1.00 0.00 C ATOM 1282 OE1 GLN A 80 -0.813 17.754 -1.019 1.00 0.00 O ATOM 1283 NE2 GLN A 80 0.754 16.968 -2.433 1.00 0.00 N ATOM 0 H GLN A 80 -1.870 12.070 0.041 1.00 0.00 H new ATOM 0 HA GLN A 80 -1.622 13.285 -2.606 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -2.580 14.940 -0.731 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -0.886 15.032 -0.291 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -0.834 15.225 -3.095 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -2.267 16.134 -2.655 1.00 0.00 H new ATOM 0 HE21 GLN A 80 1.006 16.249 -3.111 1.00 0.00 H new ATOM 0 HE22 GLN A 80 1.414 17.713 -2.210 1.00 0.00 H new ATOM 1292 N VAL A 81 0.249 11.610 -1.148 1.00 0.00 N ATOM 1293 CA VAL A 81 1.575 11.050 -0.958 1.00 0.00 C ATOM 1294 C VAL A 81 1.662 9.700 -1.671 1.00 0.00 C ATOM 1295 O VAL A 81 0.651 9.165 -2.120 1.00 0.00 O ATOM 1296 CB VAL A 81 1.895 10.960 0.536 1.00 0.00 C ATOM 1297 CG1 VAL A 81 1.767 12.328 1.209 1.00 0.00 C ATOM 1298 CG2 VAL A 81 1.005 9.923 1.225 1.00 0.00 C ATOM 0 H VAL A 81 -0.511 10.931 -1.100 1.00 0.00 H new ATOM 0 HA VAL A 81 2.331 11.699 -1.400 1.00 0.00 H new ATOM 0 HB VAL A 81 2.930 10.634 0.638 1.00 0.00 H new ATOM 0 HG11 VAL A 81 2.000 12.235 2.270 1.00 0.00 H new ATOM 0 HG12 VAL A 81 2.462 13.028 0.745 1.00 0.00 H new ATOM 0 HG13 VAL A 81 0.748 12.697 1.092 1.00 0.00 H new ATOM 0 HG21 VAL A 81 1.252 9.878 2.286 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -0.041 10.206 1.108 1.00 0.00 H new ATOM 0 HG23 VAL A 81 1.169 8.945 0.773 1.00 0.00 H new ATOM 1308 N ALA A 82 2.882 9.188 -1.754 1.00 0.00 N ATOM 1309 CA ALA A 82 3.114 7.910 -2.405 1.00 0.00 C ATOM 1310 C ALA A 82 3.228 6.815 -1.343 1.00 0.00 C ATOM 1311 O ALA A 82 3.653 7.077 -0.219 1.00 0.00 O ATOM 1312 CB ALA A 82 4.365 8.004 -3.283 1.00 0.00 C ATOM 0 H ALA A 82 3.720 9.635 -1.381 1.00 0.00 H new ATOM 0 HA ALA A 82 2.278 7.653 -3.055 1.00 0.00 H new ATOM 0 HB1 ALA A 82 4.539 7.045 -3.772 1.00 0.00 H new ATOM 0 HB2 ALA A 82 4.222 8.776 -4.039 1.00 0.00 H new ATOM 0 HB3 ALA A 82 5.226 8.258 -2.664 1.00 0.00 H new ATOM 1318 N ILE A 83 2.842 5.610 -1.738 1.00 0.00 N ATOM 1319 CA ILE A 83 2.896 4.474 -0.834 1.00 0.00 C ATOM 1320 C ILE A 83 3.106 3.193 -1.644 1.00 0.00 C ATOM 1321 O ILE A 83 2.267 2.829 -2.467 1.00 0.00 O ATOM 1322 CB ILE A 83 1.652 4.440 0.059 1.00 0.00 C ATOM 1323 CG1 ILE A 83 1.945 3.725 1.379 1.00 0.00 C ATOM 1324 CG2 ILE A 83 0.465 3.818 -0.680 1.00 0.00 C ATOM 1325 CD1 ILE A 83 1.026 4.232 2.492 1.00 0.00 C ATOM 0 H ILE A 83 2.491 5.396 -2.671 1.00 0.00 H new ATOM 0 HA ILE A 83 3.745 4.566 -0.156 1.00 0.00 H new ATOM 0 HB ILE A 83 1.377 5.466 0.303 1.00 0.00 H new ATOM 0 HG12 ILE A 83 1.811 2.651 1.253 1.00 0.00 H new ATOM 0 HG13 ILE A 83 2.986 3.885 1.660 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -0.406 3.806 -0.024 1.00 0.00 H new ATOM 0 HG22 ILE A 83 0.241 4.407 -1.569 1.00 0.00 H new ATOM 0 HG23 ILE A 83 0.713 2.798 -0.973 1.00 0.00 H new ATOM 0 HD11 ILE A 83 1.255 3.708 3.420 1.00 0.00 H new ATOM 0 HD12 ILE A 83 1.180 5.302 2.632 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -0.013 4.048 2.218 1.00 0.00 H new ATOM 1337 N LEU A 84 4.232 2.544 -1.383 1.00 0.00 N ATOM 1338 CA LEU A 84 4.563 1.312 -2.078 1.00 0.00 C ATOM 1339 C LEU A 84 4.707 0.180 -1.058 1.00 0.00 C ATOM 1340 O LEU A 84 5.717 0.090 -0.363 1.00 0.00 O ATOM 1341 CB LEU A 84 5.800 1.509 -2.957 1.00 0.00 C ATOM 1342 CG LEU A 84 6.547 0.235 -3.357 1.00 0.00 C ATOM 1343 CD1 LEU A 84 6.485 0.016 -4.871 1.00 0.00 C ATOM 1344 CD2 LEU A 84 7.986 0.257 -2.839 1.00 0.00 C ATOM 0 H LEU A 84 4.926 2.848 -0.700 1.00 0.00 H new ATOM 0 HA LEU A 84 3.759 1.029 -2.758 1.00 0.00 H new ATOM 0 HB2 LEU A 84 5.497 2.029 -3.866 1.00 0.00 H new ATOM 0 HB3 LEU A 84 6.495 2.164 -2.431 1.00 0.00 H new ATOM 0 HG LEU A 84 6.050 -0.614 -2.888 1.00 0.00 H new ATOM 0 HD11 LEU A 84 7.023 -0.896 -5.129 1.00 0.00 H new ATOM 0 HD12 LEU A 84 5.445 -0.076 -5.183 1.00 0.00 H new ATOM 0 HD13 LEU A 84 6.943 0.864 -5.380 1.00 0.00 H new ATOM 0 HD21 LEU A 84 8.494 -0.660 -3.137 1.00 0.00 H new ATOM 0 HD22 LEU A 84 8.511 1.115 -3.258 1.00 0.00 H new ATOM 0 HD23 LEU A 84 7.980 0.331 -1.752 1.00 0.00 H new ATOM 1356 N LEU A 85 3.679 -0.655 -1.002 1.00 0.00 N ATOM 1357 CA LEU A 85 3.678 -1.779 -0.080 1.00 0.00 C ATOM 1358 C LEU A 85 4.046 -3.056 -0.837 1.00 0.00 C ATOM 1359 O LEU A 85 3.660 -3.230 -1.992 1.00 0.00 O ATOM 1360 CB LEU A 85 2.340 -1.864 0.658 1.00 0.00 C ATOM 1361 CG LEU A 85 2.184 -3.037 1.628 1.00 0.00 C ATOM 1362 CD1 LEU A 85 1.479 -2.594 2.912 1.00 0.00 C ATOM 1363 CD2 LEU A 85 1.469 -4.211 0.957 1.00 0.00 C ATOM 0 H LEU A 85 2.842 -0.576 -1.579 1.00 0.00 H new ATOM 0 HA LEU A 85 4.434 -1.639 0.693 1.00 0.00 H new ATOM 0 HB2 LEU A 85 2.194 -0.937 1.213 1.00 0.00 H new ATOM 0 HB3 LEU A 85 1.542 -1.922 -0.082 1.00 0.00 H new ATOM 0 HG LEU A 85 3.178 -3.384 1.909 1.00 0.00 H new ATOM 0 HD11 LEU A 85 1.380 -3.446 3.585 1.00 0.00 H new ATOM 0 HD12 LEU A 85 2.065 -1.813 3.398 1.00 0.00 H new ATOM 0 HD13 LEU A 85 0.489 -2.207 2.669 1.00 0.00 H new ATOM 0 HD21 LEU A 85 1.371 -5.032 1.668 1.00 0.00 H new ATOM 0 HD22 LEU A 85 0.479 -3.895 0.629 1.00 0.00 H new ATOM 0 HD23 LEU A 85 2.047 -4.545 0.095 1.00 0.00 H new ATOM 1375 N PHE A 86 4.788 -3.917 -0.157 1.00 0.00 N ATOM 1376 CA PHE A 86 5.211 -5.173 -0.751 1.00 0.00 C ATOM 1377 C PHE A 86 5.622 -6.179 0.327 1.00 0.00 C ATOM 1378 O PHE A 86 6.214 -5.803 1.338 1.00 0.00 O ATOM 1379 CB PHE A 86 6.424 -4.864 -1.631 1.00 0.00 C ATOM 1380 CG PHE A 86 7.689 -4.511 -0.847 1.00 0.00 C ATOM 1381 CD1 PHE A 86 7.931 -3.220 -0.493 1.00 0.00 C ATOM 1382 CD2 PHE A 86 8.572 -5.487 -0.504 1.00 0.00 C ATOM 1383 CE1 PHE A 86 9.105 -2.891 0.235 1.00 0.00 C ATOM 1384 CE2 PHE A 86 9.746 -5.158 0.225 1.00 0.00 C ATOM 1385 CZ PHE A 86 9.988 -3.868 0.578 1.00 0.00 C ATOM 0 H PHE A 86 5.107 -3.769 0.800 1.00 0.00 H new ATOM 0 HA PHE A 86 4.392 -5.609 -1.323 1.00 0.00 H new ATOM 0 HB2 PHE A 86 6.630 -5.727 -2.263 1.00 0.00 H new ATOM 0 HB3 PHE A 86 6.177 -4.035 -2.294 1.00 0.00 H new ATOM 0 HD1 PHE A 86 7.230 -2.445 -0.766 1.00 0.00 H new ATOM 0 HD2 PHE A 86 8.381 -6.512 -0.786 1.00 0.00 H new ATOM 0 HE1 PHE A 86 9.297 -1.866 0.516 1.00 0.00 H new ATOM 0 HE2 PHE A 86 10.446 -5.933 0.499 1.00 0.00 H new ATOM 0 HZ PHE A 86 10.881 -3.618 1.131 1.00 0.00 H new ATOM 1395 N LYS A 87 5.291 -7.437 0.075 1.00 0.00 N ATOM 1396 CA LYS A 87 5.617 -8.498 1.011 1.00 0.00 C ATOM 1397 C LYS A 87 6.877 -9.223 0.534 1.00 0.00 C ATOM 1398 O LYS A 87 6.854 -9.909 -0.488 1.00 0.00 O ATOM 1399 CB LYS A 87 4.415 -9.423 1.213 1.00 0.00 C ATOM 1400 CG LYS A 87 4.863 -10.813 1.669 1.00 0.00 C ATOM 1401 CD LYS A 87 5.515 -10.753 3.052 1.00 0.00 C ATOM 1402 CE LYS A 87 5.961 -12.144 3.508 1.00 0.00 C ATOM 1403 NZ LYS A 87 7.411 -12.326 3.271 1.00 0.00 N ATOM 0 H LYS A 87 4.800 -7.745 -0.764 1.00 0.00 H new ATOM 0 HA LYS A 87 5.839 -8.083 1.994 1.00 0.00 H new ATOM 0 HB2 LYS A 87 3.741 -8.993 1.954 1.00 0.00 H new ATOM 0 HB3 LYS A 87 3.854 -9.505 0.282 1.00 0.00 H new ATOM 0 HG2 LYS A 87 4.005 -11.485 1.696 1.00 0.00 H new ATOM 0 HG3 LYS A 87 5.568 -11.226 0.948 1.00 0.00 H new ATOM 0 HD2 LYS A 87 6.374 -10.083 3.024 1.00 0.00 H new ATOM 0 HD3 LYS A 87 4.810 -10.339 3.773 1.00 0.00 H new ATOM 0 HE2 LYS A 87 5.740 -12.274 4.567 1.00 0.00 H new ATOM 0 HE3 LYS A 87 5.400 -12.907 2.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 7.698 -13.275 3.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 7.613 -12.222 2.256 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 7.943 -11.609 3.805 1.00 0.00 H new ATOM 1415 N SER A 88 7.946 -9.049 1.296 1.00 0.00 N ATOM 1416 CA SER A 88 9.213 -9.679 0.964 1.00 0.00 C ATOM 1417 C SER A 88 9.780 -10.394 2.192 1.00 0.00 C ATOM 1418 O SER A 88 9.912 -9.794 3.258 1.00 0.00 O ATOM 1419 CB SER A 88 10.217 -8.651 0.437 1.00 0.00 C ATOM 1420 OG SER A 88 11.495 -9.231 0.191 1.00 0.00 O ATOM 0 H SER A 88 7.961 -8.481 2.143 1.00 0.00 H new ATOM 0 HA SER A 88 9.035 -10.411 0.176 1.00 0.00 H new ATOM 0 HB2 SER A 88 9.835 -8.211 -0.484 1.00 0.00 H new ATOM 0 HB3 SER A 88 10.319 -7.841 1.159 1.00 0.00 H new ATOM 0 HG SER A 88 12.107 -8.544 -0.146 1.00 0.00 H new