USER MOD reduce.3.24.130724 H: found=0, std=0, add=691, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 687 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 14 HIS : no HE2:sc= 0.517 K(o=0.91,f=-3.3!) USER MOD Set 1.2: A 89 ASN : amide:sc= 0.392 K(o=0.91,f=-2.7!) USER MOD Set 2.1: A 20 SER OG : rot 178:sc= 1 USER MOD Set 2.2: A 46 SER OG : rot 143:sc= 1.25 USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 MET CE :methyl -173:sc=-0.00316 (180deg=-0.0912) USER MOD Single : A 34 GLN : amide:sc= -0.0033 K(o=-0.0033,f=-2.7!) USER MOD Single : A 44 MET CE :methyl 155:sc= -0.0158 (180deg=-0.366) USER MOD Single : A 54 HIS : no HD1:sc= -0.289 X(o=-0.29,f=-0.011) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 HIS : no HD1:sc= -0.986 X(o=-0.99,f=-0.52) USER MOD Single : A 74 TYR OH : rot 180:sc= -0.0745 USER MOD Single : A 79 MET CE :methyl 171:sc= -0.34 (180deg=-0.749) USER MOD Single : A 80 HIS : no HD1:sc= -0.1 X(o=-0.1,f=-0.38) USER MOD Single : A 81 HIS : no HD1:sc= -0.117 X(o=-0.12,f=-0.31) USER MOD Single : A 85 ASN : amide:sc= 0.298 K(o=0.3,f=-2!) USER MOD Single : A 87 GLN : amide:sc= 0 X(o=0,f=-0.012) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ 164:sc=-0.00421 (180deg=-0.086) USER MOD ----------------------------------------------------------------- ATOM 66 N TYR A 8 -13.613 -7.958 11.827 1.00 0.00 N ATOM 67 CA TYR A 8 -12.900 -8.094 10.575 1.00 0.00 C ATOM 68 C TYR A 8 -11.504 -8.591 10.890 1.00 0.00 C ATOM 69 O TYR A 8 -11.088 -8.595 12.055 1.00 0.00 O ATOM 70 CB TYR A 8 -12.902 -6.756 9.813 1.00 0.00 C ATOM 71 CG TYR A 8 -12.067 -5.669 10.435 1.00 0.00 C ATOM 72 CD1 TYR A 8 -12.629 -4.794 11.379 1.00 0.00 C ATOM 73 CD2 TYR A 8 -10.732 -5.524 10.037 1.00 0.00 C ATOM 74 CE1 TYR A 8 -11.826 -3.811 11.983 1.00 0.00 C ATOM 75 CE2 TYR A 8 -9.936 -4.516 10.598 1.00 0.00 C ATOM 76 CZ TYR A 8 -10.465 -3.688 11.615 1.00 0.00 C ATOM 77 OH TYR A 8 -9.697 -2.753 12.230 1.00 0.00 O ATOM 0 HA TYR A 8 -13.386 -8.815 9.918 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -12.545 -6.932 8.798 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -13.930 -6.403 9.732 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -13.674 -4.876 11.640 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -10.315 -6.190 9.296 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -12.247 -3.151 12.727 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -8.922 -4.372 10.255 1.00 0.00 H new ATOM 0 HH TYR A 8 -8.786 -2.791 11.871 1.00 0.00 H new ATOM 87 N LYS A 9 -10.795 -9.013 9.847 1.00 0.00 N ATOM 88 CA LYS A 9 -9.397 -9.375 9.937 1.00 0.00 C ATOM 89 C LYS A 9 -8.636 -8.562 8.914 1.00 0.00 C ATOM 90 O LYS A 9 -9.107 -8.399 7.786 1.00 0.00 O ATOM 91 CB LYS A 9 -9.207 -10.889 9.780 1.00 0.00 C ATOM 92 CG LYS A 9 -9.573 -11.518 8.424 1.00 0.00 C ATOM 93 CD LYS A 9 -10.967 -12.158 8.392 1.00 0.00 C ATOM 94 CE LYS A 9 -11.154 -12.888 7.054 1.00 0.00 C ATOM 95 NZ LYS A 9 -12.020 -14.083 7.158 1.00 0.00 N ATOM 0 H LYS A 9 -11.185 -9.112 8.910 1.00 0.00 H new ATOM 0 HA LYS A 9 -8.999 -9.141 10.924 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -8.162 -11.119 9.985 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -9.799 -11.383 10.550 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -9.518 -10.751 7.652 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -8.830 -12.275 8.174 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -11.079 -12.857 9.221 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -11.735 -11.394 8.514 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -11.584 -12.198 6.328 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -10.178 -13.187 6.671 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -12.107 -14.531 6.223 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -11.600 -14.759 7.828 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -12.962 -13.801 7.496 1.00 0.00 H new ATOM 109 N GLU A 10 -7.503 -8.017 9.325 1.00 0.00 N ATOM 110 CA GLU A 10 -6.490 -7.483 8.437 1.00 0.00 C ATOM 111 C GLU A 10 -5.609 -8.637 7.991 1.00 0.00 C ATOM 112 O GLU A 10 -5.308 -9.546 8.765 1.00 0.00 O ATOM 113 CB GLU A 10 -5.641 -6.443 9.178 1.00 0.00 C ATOM 114 CG GLU A 10 -6.216 -5.043 8.969 1.00 0.00 C ATOM 115 CD GLU A 10 -5.733 -4.059 10.033 1.00 0.00 C ATOM 116 OE1 GLU A 10 -4.519 -4.016 10.332 1.00 0.00 O ATOM 117 OE2 GLU A 10 -6.593 -3.357 10.617 1.00 0.00 O ATOM 0 H GLU A 10 -7.258 -7.933 10.312 1.00 0.00 H new ATOM 0 HA GLU A 10 -6.956 -7.001 7.577 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -5.614 -6.677 10.242 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -4.613 -6.479 8.817 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -5.931 -4.678 7.982 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -7.305 -5.092 8.989 1.00 0.00 H new ATOM 124 N LEU A 11 -5.153 -8.558 6.750 1.00 0.00 N ATOM 125 CA LEU A 11 -4.191 -9.453 6.130 1.00 0.00 C ATOM 126 C LEU A 11 -3.102 -8.543 5.584 1.00 0.00 C ATOM 127 O LEU A 11 -3.357 -7.673 4.751 1.00 0.00 O ATOM 128 CB LEU A 11 -4.790 -10.389 5.054 1.00 0.00 C ATOM 129 CG LEU A 11 -6.161 -10.028 4.453 1.00 0.00 C ATOM 130 CD1 LEU A 11 -6.323 -10.692 3.077 1.00 0.00 C ATOM 131 CD2 LEU A 11 -7.348 -10.469 5.322 1.00 0.00 C ATOM 0 H LEU A 11 -5.463 -7.824 6.113 1.00 0.00 H new ATOM 0 HA LEU A 11 -3.803 -10.162 6.861 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -4.074 -10.454 4.234 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -4.869 -11.386 5.488 1.00 0.00 H new ATOM 0 HG LEU A 11 -6.175 -8.940 4.384 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -7.295 -10.431 2.659 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -5.536 -10.342 2.409 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -6.253 -11.774 3.185 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -8.281 -10.182 4.837 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -7.323 -11.551 5.449 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -7.283 -9.987 6.298 1.00 0.00 H new ATOM 143 N ASP A 12 -1.899 -8.707 6.118 1.00 0.00 N ATOM 144 CA ASP A 12 -0.740 -7.870 5.872 1.00 0.00 C ATOM 145 C ASP A 12 0.166 -8.607 4.908 1.00 0.00 C ATOM 146 O ASP A 12 0.712 -9.659 5.232 1.00 0.00 O ATOM 147 CB ASP A 12 -0.037 -7.474 7.178 1.00 0.00 C ATOM 148 CG ASP A 12 0.351 -8.626 8.109 1.00 0.00 C ATOM 149 OD1 ASP A 12 -0.543 -9.365 8.585 1.00 0.00 O ATOM 150 OD2 ASP A 12 1.536 -8.720 8.511 1.00 0.00 O ATOM 0 H ASP A 12 -1.699 -9.468 6.767 1.00 0.00 H new ATOM 0 HA ASP A 12 -1.042 -6.924 5.422 1.00 0.00 H new ATOM 0 HB2 ASP A 12 0.866 -6.917 6.927 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -0.689 -6.794 7.726 1.00 0.00 H new ATOM 155 N VAL A 13 0.256 -8.075 3.694 1.00 0.00 N ATOM 156 CA VAL A 13 0.884 -8.683 2.529 1.00 0.00 C ATOM 157 C VAL A 13 2.138 -7.860 2.203 1.00 0.00 C ATOM 158 O VAL A 13 2.165 -6.648 2.445 1.00 0.00 O ATOM 159 CB VAL A 13 -0.155 -8.715 1.377 1.00 0.00 C ATOM 160 CG1 VAL A 13 0.357 -9.534 0.190 1.00 0.00 C ATOM 161 CG2 VAL A 13 -1.514 -9.299 1.817 1.00 0.00 C ATOM 0 H VAL A 13 -0.130 -7.154 3.486 1.00 0.00 H new ATOM 0 HA VAL A 13 1.197 -9.713 2.700 1.00 0.00 H new ATOM 0 HB VAL A 13 -0.299 -7.675 1.084 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -0.393 -9.537 -0.600 1.00 0.00 H new ATOM 0 HG12 VAL A 13 1.279 -9.091 -0.187 1.00 0.00 H new ATOM 0 HG13 VAL A 13 0.551 -10.558 0.511 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -2.202 -9.297 0.971 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -1.374 -10.321 2.169 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -1.927 -8.692 2.622 1.00 0.00 H new ATOM 171 N HIS A 14 3.171 -8.483 1.631 1.00 0.00 N ATOM 172 CA HIS A 14 4.454 -7.875 1.288 1.00 0.00 C ATOM 173 C HIS A 14 4.837 -8.151 -0.170 1.00 0.00 C ATOM 174 O HIS A 14 5.046 -9.310 -0.546 1.00 0.00 O ATOM 175 CB HIS A 14 5.531 -8.428 2.219 1.00 0.00 C ATOM 176 CG HIS A 14 6.871 -7.791 1.979 1.00 0.00 C ATOM 177 ND1 HIS A 14 7.208 -6.491 2.274 1.00 0.00 N ATOM 178 CD2 HIS A 14 7.945 -8.382 1.372 1.00 0.00 C ATOM 179 CE1 HIS A 14 8.465 -6.300 1.842 1.00 0.00 C ATOM 180 NE2 HIS A 14 8.971 -7.434 1.322 1.00 0.00 N ATOM 0 H HIS A 14 3.131 -9.472 1.384 1.00 0.00 H new ATOM 0 HA HIS A 14 4.368 -6.795 1.408 1.00 0.00 H new ATOM 0 HB2 HIS A 14 5.233 -8.264 3.255 1.00 0.00 H new ATOM 0 HB3 HIS A 14 5.612 -9.506 2.078 1.00 0.00 H new ATOM 0 HD1 HIS A 14 6.614 -5.801 2.735 1.00 0.00 H new ATOM 0 HD2 HIS A 14 7.992 -9.395 1.000 1.00 0.00 H new ATOM 0 HE1 HIS A 14 8.998 -5.363 1.903 1.00 0.00 H new ATOM 188 N LEU A 15 5.005 -7.107 -0.982 1.00 0.00 N ATOM 189 CA LEU A 15 5.502 -7.231 -2.346 1.00 0.00 C ATOM 190 C LEU A 15 6.822 -6.499 -2.443 1.00 0.00 C ATOM 191 O LEU A 15 6.879 -5.282 -2.250 1.00 0.00 O ATOM 192 CB LEU A 15 4.506 -6.637 -3.356 1.00 0.00 C ATOM 193 CG LEU A 15 3.307 -7.546 -3.663 1.00 0.00 C ATOM 194 CD1 LEU A 15 2.296 -6.770 -4.521 1.00 0.00 C ATOM 195 CD2 LEU A 15 3.733 -8.805 -4.427 1.00 0.00 C ATOM 0 H LEU A 15 4.798 -6.147 -0.707 1.00 0.00 H new ATOM 0 HA LEU A 15 5.630 -8.287 -2.584 1.00 0.00 H new ATOM 0 HB2 LEU A 15 4.138 -5.686 -2.971 1.00 0.00 H new ATOM 0 HB3 LEU A 15 5.033 -6.422 -4.286 1.00 0.00 H new ATOM 0 HG LEU A 15 2.864 -7.851 -2.715 1.00 0.00 H new ATOM 0 HD11 LEU A 15 1.441 -7.409 -4.743 1.00 0.00 H new ATOM 0 HD12 LEU A 15 1.958 -5.888 -3.977 1.00 0.00 H new ATOM 0 HD13 LEU A 15 2.770 -6.462 -5.453 1.00 0.00 H new ATOM 0 HD21 LEU A 15 2.858 -9.423 -4.626 1.00 0.00 H new ATOM 0 HD22 LEU A 15 4.197 -8.518 -5.371 1.00 0.00 H new ATOM 0 HD23 LEU A 15 4.448 -9.370 -3.828 1.00 0.00 H new ATOM 207 N ARG A 16 7.873 -7.201 -2.854 1.00 0.00 N ATOM 208 CA ARG A 16 9.095 -6.521 -3.270 1.00 0.00 C ATOM 209 C ARG A 16 8.854 -5.860 -4.621 1.00 0.00 C ATOM 210 O ARG A 16 8.167 -6.418 -5.485 1.00 0.00 O ATOM 211 CB ARG A 16 10.274 -7.496 -3.361 1.00 0.00 C ATOM 212 CG ARG A 16 10.647 -8.101 -1.997 1.00 0.00 C ATOM 213 CD ARG A 16 12.151 -8.388 -1.917 1.00 0.00 C ATOM 214 NE ARG A 16 12.447 -9.721 -1.378 1.00 0.00 N ATOM 215 CZ ARG A 16 13.322 -10.034 -0.417 1.00 0.00 C ATOM 216 NH1 ARG A 16 13.908 -9.122 0.347 1.00 0.00 N ATOM 217 NH2 ARG A 16 13.617 -11.310 -0.229 1.00 0.00 N ATOM 0 H ARG A 16 7.905 -8.219 -2.908 1.00 0.00 H new ATOM 0 HA ARG A 16 9.350 -5.768 -2.525 1.00 0.00 H new ATOM 0 HB2 ARG A 16 10.024 -8.299 -4.054 1.00 0.00 H new ATOM 0 HB3 ARG A 16 11.139 -6.977 -3.773 1.00 0.00 H new ATOM 0 HG2 ARG A 16 10.361 -7.415 -1.200 1.00 0.00 H new ATOM 0 HG3 ARG A 16 10.088 -9.023 -1.839 1.00 0.00 H new ATOM 0 HD2 ARG A 16 12.587 -8.298 -2.912 1.00 0.00 H new ATOM 0 HD3 ARG A 16 12.628 -7.634 -1.291 1.00 0.00 H new ATOM 0 HE ARG A 16 11.925 -10.498 -1.783 1.00 0.00 H new ATOM 0 HH11 ARG A 16 13.697 -8.133 0.213 1.00 0.00 H new ATOM 0 HH12 ARG A 16 14.570 -9.410 1.068 1.00 0.00 H new ATOM 0 HH21 ARG A 16 13.180 -12.025 -0.810 1.00 0.00 H new ATOM 0 HH22 ARG A 16 14.281 -11.578 0.497 1.00 0.00 H new ATOM 231 N ARG A 17 9.483 -4.711 -4.865 1.00 0.00 N ATOM 232 CA ARG A 17 9.813 -4.290 -6.216 1.00 0.00 C ATOM 233 C ARG A 17 11.157 -4.942 -6.477 1.00 0.00 C ATOM 234 O ARG A 17 12.176 -4.455 -5.984 1.00 0.00 O ATOM 235 CB ARG A 17 9.874 -2.760 -6.340 1.00 0.00 C ATOM 236 CG ARG A 17 10.282 -2.305 -7.753 1.00 0.00 C ATOM 237 CD ARG A 17 10.562 -0.809 -7.708 1.00 0.00 C ATOM 238 NE ARG A 17 10.930 -0.258 -9.019 1.00 0.00 N ATOM 239 CZ ARG A 17 11.707 0.815 -9.198 1.00 0.00 C ATOM 240 NH1 ARG A 17 12.210 1.475 -8.162 1.00 0.00 N ATOM 241 NH2 ARG A 17 11.999 1.241 -10.416 1.00 0.00 N ATOM 0 H ARG A 17 9.773 -4.057 -4.138 1.00 0.00 H new ATOM 0 HA ARG A 17 9.060 -4.588 -6.946 1.00 0.00 H new ATOM 0 HB2 ARG A 17 8.900 -2.338 -6.092 1.00 0.00 H new ATOM 0 HB3 ARG A 17 10.586 -2.367 -5.614 1.00 0.00 H new ATOM 0 HG2 ARG A 17 11.167 -2.848 -8.087 1.00 0.00 H new ATOM 0 HG3 ARG A 17 9.487 -2.522 -8.467 1.00 0.00 H new ATOM 0 HD2 ARG A 17 9.679 -0.290 -7.336 1.00 0.00 H new ATOM 0 HD3 ARG A 17 11.367 -0.616 -6.999 1.00 0.00 H new ATOM 0 HE ARG A 17 10.568 -0.726 -9.850 1.00 0.00 H new ATOM 0 HH11 ARG A 17 12.005 1.165 -7.212 1.00 0.00 H new ATOM 0 HH12 ARG A 17 12.801 2.292 -8.316 1.00 0.00 H new ATOM 0 HH21 ARG A 17 11.630 0.750 -11.230 1.00 0.00 H new ATOM 0 HH22 ARG A 17 12.593 2.061 -10.541 1.00 0.00 H new ATOM 255 N MET A 18 11.169 -6.043 -7.212 1.00 0.00 N ATOM 256 CA MET A 18 12.400 -6.614 -7.737 1.00 0.00 C ATOM 257 C MET A 18 12.246 -6.991 -9.206 1.00 0.00 C ATOM 258 O MET A 18 13.245 -7.255 -9.867 1.00 0.00 O ATOM 259 CB MET A 18 12.885 -7.769 -6.852 1.00 0.00 C ATOM 260 CG MET A 18 11.925 -8.964 -6.785 1.00 0.00 C ATOM 261 SD MET A 18 12.325 -10.144 -5.469 1.00 0.00 S ATOM 262 CE MET A 18 13.986 -10.677 -5.973 1.00 0.00 C ATOM 0 H MET A 18 10.329 -6.565 -7.461 1.00 0.00 H new ATOM 0 HA MET A 18 13.185 -5.858 -7.705 1.00 0.00 H new ATOM 0 HB2 MET A 18 13.850 -8.114 -7.223 1.00 0.00 H new ATOM 0 HB3 MET A 18 13.048 -7.393 -5.842 1.00 0.00 H new ATOM 0 HG2 MET A 18 10.910 -8.596 -6.635 1.00 0.00 H new ATOM 0 HG3 MET A 18 11.937 -9.483 -7.743 1.00 0.00 H new ATOM 0 HE1 MET A 18 14.316 -11.495 -5.332 1.00 0.00 H new ATOM 0 HE2 MET A 18 13.961 -11.015 -7.009 1.00 0.00 H new ATOM 0 HE3 MET A 18 14.680 -9.841 -5.881 1.00 0.00 H new ATOM 272 N GLU A 19 11.024 -6.952 -9.744 1.00 0.00 N ATOM 273 CA GLU A 19 10.734 -7.131 -11.155 1.00 0.00 C ATOM 274 C GLU A 19 9.676 -6.087 -11.521 1.00 0.00 C ATOM 275 O GLU A 19 10.020 -4.915 -11.703 1.00 0.00 O ATOM 276 CB GLU A 19 10.300 -8.584 -11.414 1.00 0.00 C ATOM 277 CG GLU A 19 11.481 -9.561 -11.299 1.00 0.00 C ATOM 278 CD GLU A 19 11.085 -11.017 -11.522 1.00 0.00 C ATOM 279 OE1 GLU A 19 9.902 -11.381 -11.336 1.00 0.00 O ATOM 280 OE2 GLU A 19 11.986 -11.851 -11.773 1.00 0.00 O ATOM 0 H GLU A 19 10.187 -6.789 -9.184 1.00 0.00 H new ATOM 0 HA GLU A 19 11.605 -6.974 -11.791 1.00 0.00 H new ATOM 0 HB2 GLU A 19 9.525 -8.865 -10.701 1.00 0.00 H new ATOM 0 HB3 GLU A 19 9.860 -8.660 -12.409 1.00 0.00 H new ATOM 0 HG2 GLU A 19 12.244 -9.284 -12.026 1.00 0.00 H new ATOM 0 HG3 GLU A 19 11.931 -9.461 -10.311 1.00 0.00 H new ATOM 287 N SER A 20 8.394 -6.472 -11.566 1.00 0.00 N ATOM 288 CA SER A 20 7.364 -5.690 -12.239 1.00 0.00 C ATOM 289 C SER A 20 7.066 -4.343 -11.584 1.00 0.00 C ATOM 290 O SER A 20 6.465 -3.478 -12.221 1.00 0.00 O ATOM 291 CB SER A 20 6.071 -6.507 -12.355 1.00 0.00 C ATOM 292 OG SER A 20 5.356 -6.548 -11.130 1.00 0.00 O ATOM 0 H SER A 20 8.049 -7.331 -11.137 1.00 0.00 H new ATOM 0 HA SER A 20 7.766 -5.463 -13.227 1.00 0.00 H new ATOM 0 HB2 SER A 20 5.438 -6.075 -13.130 1.00 0.00 H new ATOM 0 HB3 SER A 20 6.311 -7.523 -12.669 1.00 0.00 H new ATOM 0 HG SER A 20 4.523 -7.049 -11.254 1.00 0.00 H new ATOM 298 N GLY A 21 7.412 -4.168 -10.307 1.00 0.00 N ATOM 299 CA GLY A 21 6.920 -3.046 -9.531 1.00 0.00 C ATOM 300 C GLY A 21 5.422 -3.195 -9.304 1.00 0.00 C ATOM 301 O GLY A 21 4.617 -2.487 -9.911 1.00 0.00 O ATOM 0 H GLY A 21 8.033 -4.795 -9.794 1.00 0.00 H new ATOM 0 HA2 GLY A 21 7.439 -2.998 -8.574 1.00 0.00 H new ATOM 0 HA3 GLY A 21 7.127 -2.112 -10.053 1.00 0.00 H new ATOM 305 N PHE A 22 5.083 -4.132 -8.414 1.00 0.00 N ATOM 306 CA PHE A 22 3.772 -4.379 -7.817 1.00 0.00 C ATOM 307 C PHE A 22 2.656 -4.588 -8.853 1.00 0.00 C ATOM 308 O PHE A 22 2.032 -3.645 -9.336 1.00 0.00 O ATOM 309 CB PHE A 22 3.424 -3.311 -6.762 1.00 0.00 C ATOM 310 CG PHE A 22 4.583 -2.627 -6.050 1.00 0.00 C ATOM 311 CD1 PHE A 22 5.557 -3.387 -5.377 1.00 0.00 C ATOM 312 CD2 PHE A 22 4.660 -1.219 -6.021 1.00 0.00 C ATOM 313 CE1 PHE A 22 6.572 -2.743 -4.651 1.00 0.00 C ATOM 314 CE2 PHE A 22 5.673 -0.576 -5.285 1.00 0.00 C ATOM 315 CZ PHE A 22 6.625 -1.341 -4.588 1.00 0.00 C ATOM 0 H PHE A 22 5.779 -4.791 -8.065 1.00 0.00 H new ATOM 0 HA PHE A 22 3.844 -5.333 -7.294 1.00 0.00 H new ATOM 0 HB2 PHE A 22 2.825 -2.541 -7.247 1.00 0.00 H new ATOM 0 HB3 PHE A 22 2.792 -3.777 -6.006 1.00 0.00 H new ATOM 0 HD1 PHE A 22 5.524 -4.466 -5.419 1.00 0.00 H new ATOM 0 HD2 PHE A 22 3.937 -0.631 -6.567 1.00 0.00 H new ATOM 0 HE1 PHE A 22 7.318 -3.331 -4.137 1.00 0.00 H new ATOM 0 HE2 PHE A 22 5.719 0.503 -5.256 1.00 0.00 H new ATOM 0 HZ PHE A 22 7.393 -0.853 -4.007 1.00 0.00 H new ATOM 325 N GLY A 23 2.391 -5.849 -9.200 1.00 0.00 N ATOM 326 CA GLY A 23 1.400 -6.226 -10.202 1.00 0.00 C ATOM 327 C GLY A 23 -0.025 -6.207 -9.653 1.00 0.00 C ATOM 328 O GLY A 23 -0.714 -7.219 -9.743 1.00 0.00 O ATOM 0 H GLY A 23 2.869 -6.648 -8.784 1.00 0.00 H new ATOM 0 HA2 GLY A 23 1.468 -5.544 -11.050 1.00 0.00 H new ATOM 0 HA3 GLY A 23 1.628 -7.224 -10.576 1.00 0.00 H new ATOM 332 N PHE A 24 -0.475 -5.083 -9.097 1.00 0.00 N ATOM 333 CA PHE A 24 -1.872 -4.819 -8.755 1.00 0.00 C ATOM 334 C PHE A 24 -2.263 -3.465 -9.345 1.00 0.00 C ATOM 335 O PHE A 24 -1.434 -2.771 -9.943 1.00 0.00 O ATOM 336 CB PHE A 24 -2.122 -4.916 -7.240 1.00 0.00 C ATOM 337 CG PHE A 24 -1.581 -3.782 -6.387 1.00 0.00 C ATOM 338 CD1 PHE A 24 -0.249 -3.825 -5.934 1.00 0.00 C ATOM 339 CD2 PHE A 24 -2.421 -2.721 -5.983 1.00 0.00 C ATOM 340 CE1 PHE A 24 0.233 -2.821 -5.076 1.00 0.00 C ATOM 341 CE2 PHE A 24 -1.948 -1.754 -5.083 1.00 0.00 C ATOM 342 CZ PHE A 24 -0.626 -1.807 -4.627 1.00 0.00 C ATOM 0 H PHE A 24 0.143 -4.306 -8.865 1.00 0.00 H new ATOM 0 HA PHE A 24 -2.513 -5.586 -9.190 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -3.198 -4.982 -7.076 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -1.687 -5.849 -6.882 1.00 0.00 H new ATOM 0 HD1 PHE A 24 0.402 -4.628 -6.245 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -3.428 -2.654 -6.367 1.00 0.00 H new ATOM 0 HE1 PHE A 24 1.266 -2.830 -4.762 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -2.605 -0.968 -4.742 1.00 0.00 H new ATOM 0 HZ PHE A 24 -0.267 -1.066 -3.928 1.00 0.00 H new ATOM 352 N ARG A 25 -3.533 -3.101 -9.219 1.00 0.00 N ATOM 353 CA ARG A 25 -4.055 -1.786 -9.528 1.00 0.00 C ATOM 354 C ARG A 25 -5.027 -1.410 -8.429 1.00 0.00 C ATOM 355 O ARG A 25 -5.645 -2.284 -7.818 1.00 0.00 O ATOM 356 CB ARG A 25 -4.738 -1.780 -10.908 1.00 0.00 C ATOM 357 CG ARG A 25 -4.587 -0.377 -11.496 1.00 0.00 C ATOM 358 CD ARG A 25 -5.180 -0.176 -12.883 1.00 0.00 C ATOM 359 NE ARG A 25 -4.750 1.142 -13.370 1.00 0.00 N ATOM 360 CZ ARG A 25 -5.209 1.817 -14.421 1.00 0.00 C ATOM 361 NH1 ARG A 25 -6.164 1.308 -15.184 1.00 0.00 N ATOM 362 NH2 ARG A 25 -4.702 3.011 -14.707 1.00 0.00 N ATOM 0 H ARG A 25 -4.252 -3.743 -8.885 1.00 0.00 H new ATOM 0 HA ARG A 25 -3.248 -1.055 -9.576 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -4.281 -2.521 -11.564 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -5.791 -2.044 -10.814 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -5.053 0.335 -10.815 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -3.526 -0.132 -11.536 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -4.843 -0.961 -13.560 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -6.268 -0.233 -12.845 1.00 0.00 H new ATOM 0 HE ARG A 25 -4.008 1.595 -12.837 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -6.555 0.391 -14.968 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -6.509 1.833 -15.987 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -3.965 3.405 -14.122 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -5.050 3.533 -15.511 1.00 0.00 H new ATOM 376 N ILE A 26 -5.203 -0.120 -8.202 1.00 0.00 N ATOM 377 CA ILE A 26 -6.069 0.434 -7.176 1.00 0.00 C ATOM 378 C ILE A 26 -6.886 1.536 -7.819 1.00 0.00 C ATOM 379 O ILE A 26 -6.402 2.270 -8.678 1.00 0.00 O ATOM 380 CB ILE A 26 -5.261 0.931 -5.956 1.00 0.00 C ATOM 381 CG1 ILE A 26 -3.794 1.280 -6.288 1.00 0.00 C ATOM 382 CG2 ILE A 26 -5.327 -0.142 -4.865 1.00 0.00 C ATOM 383 CD1 ILE A 26 -3.094 2.114 -5.221 1.00 0.00 C ATOM 0 H ILE A 26 -4.728 0.598 -8.749 1.00 0.00 H new ATOM 0 HA ILE A 26 -6.736 -0.334 -6.783 1.00 0.00 H new ATOM 0 HB ILE A 26 -5.711 1.863 -5.614 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -3.236 0.355 -6.434 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -3.766 1.822 -7.233 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -4.762 0.190 -3.994 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -6.366 -0.309 -4.582 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -4.900 -1.071 -5.242 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -2.069 2.315 -5.531 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -3.625 3.057 -5.090 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -3.087 1.567 -4.278 1.00 0.00 H new ATOM 395 N LEU A 27 -8.154 1.587 -7.436 1.00 0.00 N ATOM 396 CA LEU A 27 -9.192 2.452 -7.972 1.00 0.00 C ATOM 397 C LEU A 27 -10.140 2.725 -6.811 1.00 0.00 C ATOM 398 O LEU A 27 -10.113 1.986 -5.820 1.00 0.00 O ATOM 399 CB LEU A 27 -9.758 1.813 -9.248 1.00 0.00 C ATOM 400 CG LEU A 27 -10.527 0.509 -9.001 1.00 0.00 C ATOM 401 CD1 LEU A 27 -11.976 0.899 -8.767 1.00 0.00 C ATOM 402 CD2 LEU A 27 -10.394 -0.456 -10.182 1.00 0.00 C ATOM 0 H LEU A 27 -8.507 0.984 -6.693 1.00 0.00 H new ATOM 0 HA LEU A 27 -8.866 3.431 -8.324 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -10.421 2.527 -9.737 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -8.938 1.615 -9.938 1.00 0.00 H new ATOM 0 HG LEU A 27 -10.121 -0.019 -8.138 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -12.569 0.003 -8.585 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -12.040 1.558 -7.901 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -12.360 1.416 -9.646 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -10.952 -1.368 -9.971 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -10.792 0.013 -11.082 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -9.343 -0.701 -10.335 1.00 0.00 H new ATOM 414 N GLY A 28 -10.951 3.773 -6.890 1.00 0.00 N ATOM 415 CA GLY A 28 -11.847 4.108 -5.803 1.00 0.00 C ATOM 416 C GLY A 28 -11.127 4.812 -4.667 1.00 0.00 C ATOM 417 O GLY A 28 -9.931 5.108 -4.748 1.00 0.00 O ATOM 0 H GLY A 28 -11.003 4.399 -7.693 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -12.647 4.748 -6.177 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -12.316 3.199 -5.427 1.00 0.00 H new ATOM 421 N GLY A 29 -11.876 5.134 -3.616 1.00 0.00 N ATOM 422 CA GLY A 29 -11.617 6.373 -2.910 1.00 0.00 C ATOM 423 C GLY A 29 -11.867 7.503 -3.897 1.00 0.00 C ATOM 424 O GLY A 29 -10.992 8.344 -4.084 1.00 0.00 O ATOM 0 H GLY A 29 -12.642 4.571 -3.247 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -12.270 6.467 -2.042 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -10.591 6.401 -2.542 1.00 0.00 H new ATOM 428 N ASP A 30 -13.009 7.465 -4.591 1.00 0.00 N ATOM 429 CA ASP A 30 -13.381 8.493 -5.561 1.00 0.00 C ATOM 430 C ASP A 30 -13.560 9.824 -4.826 1.00 0.00 C ATOM 431 O ASP A 30 -13.146 10.871 -5.337 1.00 0.00 O ATOM 432 CB ASP A 30 -14.672 8.123 -6.311 1.00 0.00 C ATOM 433 CG ASP A 30 -14.492 6.971 -7.303 1.00 0.00 C ATOM 434 OD1 ASP A 30 -13.945 7.188 -8.411 1.00 0.00 O ATOM 435 OD2 ASP A 30 -14.896 5.835 -6.975 1.00 0.00 O ATOM 0 H ASP A 30 -13.699 6.720 -4.494 1.00 0.00 H new ATOM 0 HA ASP A 30 -12.587 8.577 -6.303 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -15.439 7.851 -5.586 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -15.036 9.000 -6.847 1.00 0.00 H new ATOM 440 N GLU A 31 -14.122 9.778 -3.614 1.00 0.00 N ATOM 441 CA GLU A 31 -14.366 10.909 -2.722 1.00 0.00 C ATOM 442 C GLU A 31 -13.771 10.591 -1.340 1.00 0.00 C ATOM 443 O GLU A 31 -13.525 9.412 -1.056 1.00 0.00 O ATOM 444 CB GLU A 31 -15.881 11.136 -2.628 1.00 0.00 C ATOM 445 CG GLU A 31 -16.481 11.782 -3.880 1.00 0.00 C ATOM 446 CD GLU A 31 -16.311 13.299 -3.919 1.00 0.00 C ATOM 447 OE1 GLU A 31 -15.161 13.790 -3.994 1.00 0.00 O ATOM 448 OE2 GLU A 31 -17.353 13.994 -3.921 1.00 0.00 O ATOM 0 H GLU A 31 -14.436 8.897 -3.208 1.00 0.00 H new ATOM 0 HA GLU A 31 -13.895 11.815 -3.102 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -16.373 10.180 -2.451 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -16.093 11.768 -1.766 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -16.013 11.348 -4.764 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -17.543 11.541 -3.931 1.00 0.00 H new ATOM 455 N PRO A 32 -13.538 11.604 -0.478 1.00 0.00 N ATOM 456 CA PRO A 32 -12.686 11.522 0.712 1.00 0.00 C ATOM 457 C PRO A 32 -13.412 10.890 1.904 1.00 0.00 C ATOM 458 O PRO A 32 -13.481 11.444 3.000 1.00 0.00 O ATOM 459 CB PRO A 32 -12.216 12.963 0.947 1.00 0.00 C ATOM 460 CG PRO A 32 -13.371 13.816 0.447 1.00 0.00 C ATOM 461 CD PRO A 32 -13.965 12.983 -0.684 1.00 0.00 C ATOM 0 HA PRO A 32 -11.833 10.858 0.576 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -12.011 13.148 2.001 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -11.297 13.177 0.401 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -14.102 14.003 1.234 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -13.028 14.788 0.092 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -15.053 13.053 -0.682 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -13.624 13.350 -1.652 1.00 0.00 H new ATOM 469 N GLY A 33 -13.952 9.702 1.662 1.00 0.00 N ATOM 470 CA GLY A 33 -14.602 8.839 2.624 1.00 0.00 C ATOM 471 C GLY A 33 -15.075 7.528 1.993 1.00 0.00 C ATOM 472 O GLY A 33 -15.682 6.722 2.694 1.00 0.00 O ATOM 0 H GLY A 33 -13.944 9.295 0.727 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -13.912 8.620 3.439 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -15.455 9.360 3.060 1.00 0.00 H new ATOM 476 N GLN A 34 -14.848 7.288 0.691 1.00 0.00 N ATOM 477 CA GLN A 34 -15.211 6.032 0.044 1.00 0.00 C ATOM 478 C GLN A 34 -14.237 4.899 0.428 1.00 0.00 C ATOM 479 O GLN A 34 -13.140 5.167 0.939 1.00 0.00 O ATOM 480 CB GLN A 34 -15.296 6.234 -1.488 1.00 0.00 C ATOM 481 CG GLN A 34 -16.733 6.569 -1.935 1.00 0.00 C ATOM 482 CD GLN A 34 -17.140 5.919 -3.260 1.00 0.00 C ATOM 483 OE1 GLN A 34 -17.055 4.702 -3.438 1.00 0.00 O ATOM 484 NE2 GLN A 34 -17.582 6.677 -4.241 1.00 0.00 N ATOM 0 H GLN A 34 -14.408 7.963 0.065 1.00 0.00 H new ATOM 0 HA GLN A 34 -16.195 5.725 0.399 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -14.624 7.038 -1.788 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -14.958 5.330 -1.995 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -17.428 6.251 -1.158 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -16.831 7.651 -2.027 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -17.659 7.686 -4.111 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -17.848 6.256 -5.131 1.00 0.00 H new ATOM 493 N PRO A 35 -14.615 3.631 0.187 1.00 0.00 N ATOM 494 CA PRO A 35 -13.722 2.495 0.343 1.00 0.00 C ATOM 495 C PRO A 35 -12.718 2.452 -0.811 1.00 0.00 C ATOM 496 O PRO A 35 -13.062 2.726 -1.961 1.00 0.00 O ATOM 497 CB PRO A 35 -14.627 1.265 0.367 1.00 0.00 C ATOM 498 CG PRO A 35 -15.903 1.684 -0.367 1.00 0.00 C ATOM 499 CD PRO A 35 -15.885 3.213 -0.389 1.00 0.00 C ATOM 0 HA PRO A 35 -13.128 2.551 1.255 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -14.151 0.417 -0.126 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -14.845 0.958 1.390 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -15.924 1.278 -1.378 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -16.790 1.310 0.145 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -15.988 3.585 -1.408 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -16.720 3.617 0.184 1.00 0.00 H new ATOM 507 N ILE A 36 -11.487 2.050 -0.503 1.00 0.00 N ATOM 508 CA ILE A 36 -10.415 1.831 -1.462 1.00 0.00 C ATOM 509 C ILE A 36 -10.199 0.328 -1.450 1.00 0.00 C ATOM 510 O ILE A 36 -9.667 -0.199 -0.480 1.00 0.00 O ATOM 511 CB ILE A 36 -9.153 2.644 -1.083 1.00 0.00 C ATOM 512 CG1 ILE A 36 -9.497 4.142 -1.220 1.00 0.00 C ATOM 513 CG2 ILE A 36 -7.970 2.282 -2.005 1.00 0.00 C ATOM 514 CD1 ILE A 36 -8.384 5.132 -0.887 1.00 0.00 C ATOM 0 H ILE A 36 -11.202 1.862 0.458 1.00 0.00 H new ATOM 0 HA ILE A 36 -10.658 2.177 -2.467 1.00 0.00 H new ATOM 0 HB ILE A 36 -8.855 2.412 -0.060 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -9.820 4.325 -2.245 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -10.348 4.357 -0.574 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -7.095 2.866 -1.720 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -7.745 1.220 -1.908 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -8.233 2.505 -3.039 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -8.750 6.150 -1.022 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -8.071 4.993 0.148 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -7.535 4.961 -1.549 1.00 0.00 H new ATOM 526 N LEU A 37 -10.661 -0.373 -2.484 1.00 0.00 N ATOM 527 CA LEU A 37 -10.382 -1.794 -2.659 1.00 0.00 C ATOM 528 C LEU A 37 -9.224 -1.937 -3.639 1.00 0.00 C ATOM 529 O LEU A 37 -9.061 -1.088 -4.522 1.00 0.00 O ATOM 530 CB LEU A 37 -11.602 -2.595 -3.166 1.00 0.00 C ATOM 531 CG LEU A 37 -13.000 -2.175 -2.668 1.00 0.00 C ATOM 532 CD1 LEU A 37 -14.053 -3.144 -3.210 1.00 0.00 C ATOM 533 CD2 LEU A 37 -13.110 -2.103 -1.146 1.00 0.00 C ATOM 0 H LEU A 37 -11.238 0.029 -3.222 1.00 0.00 H new ATOM 0 HA LEU A 37 -10.129 -2.209 -1.683 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -11.606 -2.544 -4.255 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -11.451 -3.640 -2.896 1.00 0.00 H new ATOM 0 HG LEU A 37 -13.172 -1.166 -3.043 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -15.040 -2.844 -2.856 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -14.037 -3.126 -4.300 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -13.833 -4.153 -2.861 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -14.120 -1.802 -0.868 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -12.893 -3.082 -0.719 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -12.396 -1.374 -0.764 1.00 0.00 H new ATOM 545 N ILE A 38 -8.495 -3.049 -3.559 1.00 0.00 N ATOM 546 CA ILE A 38 -7.635 -3.530 -4.629 1.00 0.00 C ATOM 547 C ILE A 38 -8.548 -3.652 -5.849 1.00 0.00 C ATOM 548 O ILE A 38 -9.565 -4.354 -5.804 1.00 0.00 O ATOM 549 CB ILE A 38 -6.976 -4.877 -4.264 1.00 0.00 C ATOM 550 CG1 ILE A 38 -6.141 -4.787 -2.968 1.00 0.00 C ATOM 551 CG2 ILE A 38 -6.128 -5.432 -5.431 1.00 0.00 C ATOM 552 CD1 ILE A 38 -4.786 -4.082 -3.107 1.00 0.00 C ATOM 0 H ILE A 38 -8.488 -3.648 -2.733 1.00 0.00 H new ATOM 0 HA ILE A 38 -6.804 -2.851 -4.819 1.00 0.00 H new ATOM 0 HB ILE A 38 -7.789 -5.579 -4.077 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -6.728 -4.264 -2.213 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -5.970 -5.797 -2.595 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -5.680 -6.381 -5.136 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -6.765 -5.586 -6.302 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -5.340 -4.721 -5.679 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -4.280 -4.072 -2.142 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -4.172 -4.614 -3.833 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -4.942 -3.058 -3.445 1.00 0.00 H new ATOM 564 N GLY A 39 -8.241 -2.901 -6.902 1.00 0.00 N ATOM 565 CA GLY A 39 -9.041 -2.848 -8.108 1.00 0.00 C ATOM 566 C GLY A 39 -8.868 -4.138 -8.888 1.00 0.00 C ATOM 567 O GLY A 39 -9.842 -4.842 -9.152 1.00 0.00 O ATOM 0 H GLY A 39 -7.414 -2.304 -6.936 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -10.091 -2.702 -7.854 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -8.740 -1.998 -8.720 1.00 0.00 H new ATOM 571 N ALA A 40 -7.614 -4.457 -9.214 1.00 0.00 N ATOM 572 CA ALA A 40 -7.242 -5.633 -9.977 1.00 0.00 C ATOM 573 C ALA A 40 -5.892 -6.143 -9.488 1.00 0.00 C ATOM 574 O ALA A 40 -5.077 -5.349 -9.019 1.00 0.00 O ATOM 575 CB ALA A 40 -7.140 -5.223 -11.454 1.00 0.00 C ATOM 0 H ALA A 40 -6.814 -3.885 -8.944 1.00 0.00 H new ATOM 0 HA ALA A 40 -7.982 -6.424 -9.855 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -6.861 -6.089 -12.054 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -8.103 -4.842 -11.793 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -6.383 -4.446 -11.565 1.00 0.00 H new ATOM 581 N VAL A 41 -5.599 -7.425 -9.669 1.00 0.00 N ATOM 582 CA VAL A 41 -4.326 -8.048 -9.539 1.00 0.00 C ATOM 583 C VAL A 41 -3.984 -8.671 -10.899 1.00 0.00 C ATOM 584 O VAL A 41 -4.872 -8.992 -11.690 1.00 0.00 O ATOM 585 CB VAL A 41 -4.372 -8.955 -8.312 1.00 0.00 C ATOM 586 CG1 VAL A 41 -5.324 -8.546 -7.174 1.00 0.00 C ATOM 587 CG2 VAL A 41 -4.457 -10.434 -8.607 1.00 0.00 C ATOM 0 H VAL A 41 -6.321 -8.096 -9.932 1.00 0.00 H new ATOM 0 HA VAL A 41 -3.491 -7.379 -9.332 1.00 0.00 H new ATOM 0 HB VAL A 41 -3.375 -8.771 -7.911 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -5.259 -9.274 -6.366 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -5.042 -7.562 -6.799 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -6.347 -8.511 -7.550 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -4.484 -10.991 -7.670 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -5.362 -10.640 -9.178 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -3.586 -10.740 -9.186 1.00 0.00 H new ATOM 597 N ILE A 42 -2.698 -8.741 -11.228 1.00 0.00 N ATOM 598 CA ILE A 42 -2.229 -9.182 -12.530 1.00 0.00 C ATOM 599 C ILE A 42 -1.990 -10.687 -12.453 1.00 0.00 C ATOM 600 O ILE A 42 -1.028 -11.100 -11.802 1.00 0.00 O ATOM 601 CB ILE A 42 -0.967 -8.372 -12.902 1.00 0.00 C ATOM 602 CG1 ILE A 42 -1.268 -6.855 -12.981 1.00 0.00 C ATOM 603 CG2 ILE A 42 -0.341 -8.874 -14.208 1.00 0.00 C ATOM 604 CD1 ILE A 42 -2.254 -6.421 -14.074 1.00 0.00 C ATOM 0 H ILE A 42 -1.945 -8.489 -10.587 1.00 0.00 H new ATOM 0 HA ILE A 42 -2.958 -9.004 -13.321 1.00 0.00 H new ATOM 0 HB ILE A 42 -0.241 -8.526 -12.104 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -1.660 -6.532 -12.017 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -0.328 -6.326 -13.137 1.00 0.00 H new ATOM 0 HG21 ILE A 42 0.544 -8.281 -14.439 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -0.058 -9.921 -14.097 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -1.063 -8.777 -15.018 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -2.388 -5.340 -14.035 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -1.861 -6.703 -15.051 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -3.214 -6.912 -13.914 1.00 0.00 H new ATOM 616 N ALA A 43 -2.852 -11.479 -13.109 1.00 0.00 N ATOM 617 CA ALA A 43 -2.711 -12.929 -13.238 1.00 0.00 C ATOM 618 C ALA A 43 -1.298 -13.281 -13.686 1.00 0.00 C ATOM 619 O ALA A 43 -0.753 -12.611 -14.564 1.00 0.00 O ATOM 620 CB ALA A 43 -3.702 -13.498 -14.261 1.00 0.00 C ATOM 0 H ALA A 43 -3.684 -11.116 -13.574 1.00 0.00 H new ATOM 0 HA ALA A 43 -2.918 -13.365 -12.261 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -3.571 -14.578 -14.333 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -4.721 -13.276 -13.943 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -3.520 -13.045 -15.235 1.00 0.00 H new ATOM 626 N MET A 44 -0.720 -14.332 -13.103 1.00 0.00 N ATOM 627 CA MET A 44 0.637 -14.832 -13.332 1.00 0.00 C ATOM 628 C MET A 44 1.737 -13.810 -13.014 1.00 0.00 C ATOM 629 O MET A 44 2.914 -14.138 -13.166 1.00 0.00 O ATOM 630 CB MET A 44 0.798 -15.377 -14.762 1.00 0.00 C ATOM 631 CG MET A 44 -0.327 -16.295 -15.245 1.00 0.00 C ATOM 632 SD MET A 44 -0.363 -17.977 -14.578 1.00 0.00 S ATOM 633 CE MET A 44 -1.341 -17.757 -13.068 1.00 0.00 C ATOM 0 H MET A 44 -1.220 -14.893 -12.413 1.00 0.00 H new ATOM 0 HA MET A 44 0.769 -15.650 -12.624 1.00 0.00 H new ATOM 0 HB2 MET A 44 0.875 -14.533 -15.448 1.00 0.00 H new ATOM 0 HB3 MET A 44 1.740 -15.923 -14.821 1.00 0.00 H new ATOM 0 HG2 MET A 44 -1.278 -15.817 -15.009 1.00 0.00 H new ATOM 0 HG3 MET A 44 -0.265 -16.363 -16.331 1.00 0.00 H new ATOM 0 HE1 MET A 44 -1.814 -18.702 -12.800 1.00 0.00 H new ATOM 0 HE2 MET A 44 -0.689 -17.435 -12.256 1.00 0.00 H new ATOM 0 HE3 MET A 44 -2.109 -17.002 -13.238 1.00 0.00 H new ATOM 643 N GLY A 45 1.384 -12.609 -12.556 1.00 0.00 N ATOM 644 CA GLY A 45 2.288 -11.521 -12.249 1.00 0.00 C ATOM 645 C GLY A 45 2.516 -11.414 -10.751 1.00 0.00 C ATOM 646 O GLY A 45 2.036 -12.237 -9.971 1.00 0.00 O ATOM 0 H GLY A 45 0.409 -12.365 -12.383 1.00 0.00 H new ATOM 0 HA2 GLY A 45 3.240 -11.680 -12.756 1.00 0.00 H new ATOM 0 HA3 GLY A 45 1.878 -10.584 -12.627 1.00 0.00 H new ATOM 650 N SER A 46 3.268 -10.393 -10.343 1.00 0.00 N ATOM 651 CA SER A 46 3.852 -10.304 -9.012 1.00 0.00 C ATOM 652 C SER A 46 2.849 -10.444 -7.861 1.00 0.00 C ATOM 653 O SER A 46 3.227 -10.997 -6.830 1.00 0.00 O ATOM 654 CB SER A 46 4.591 -8.971 -8.900 1.00 0.00 C ATOM 655 OG SER A 46 5.629 -8.880 -9.856 1.00 0.00 O ATOM 0 H SER A 46 3.490 -9.595 -10.938 1.00 0.00 H new ATOM 0 HA SER A 46 4.527 -11.153 -8.906 1.00 0.00 H new ATOM 0 HB2 SER A 46 3.889 -8.150 -9.043 1.00 0.00 H new ATOM 0 HB3 SER A 46 5.006 -8.865 -7.898 1.00 0.00 H new ATOM 0 HG SER A 46 5.683 -7.962 -10.194 1.00 0.00 H new ATOM 661 N ALA A 47 1.621 -9.928 -8.003 1.00 0.00 N ATOM 662 CA ALA A 47 0.599 -10.036 -6.966 1.00 0.00 C ATOM 663 C ALA A 47 -0.040 -11.424 -6.989 1.00 0.00 C ATOM 664 O ALA A 47 -0.112 -12.081 -5.960 1.00 0.00 O ATOM 665 CB ALA A 47 -0.467 -8.953 -7.155 1.00 0.00 C ATOM 0 H ALA A 47 1.314 -9.427 -8.837 1.00 0.00 H new ATOM 0 HA ALA A 47 1.073 -9.891 -5.995 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -1.222 -9.046 -6.375 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -0.001 -7.969 -7.094 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -0.937 -9.072 -8.131 1.00 0.00 H new ATOM 671 N ASP A 48 -0.511 -11.882 -8.149 1.00 0.00 N ATOM 672 CA ASP A 48 -1.196 -13.170 -8.290 1.00 0.00 C ATOM 673 C ASP A 48 -0.290 -14.319 -7.829 1.00 0.00 C ATOM 674 O ASP A 48 -0.679 -15.137 -6.998 1.00 0.00 O ATOM 675 CB ASP A 48 -1.624 -13.309 -9.748 1.00 0.00 C ATOM 676 CG ASP A 48 -2.418 -14.573 -10.054 1.00 0.00 C ATOM 677 OD1 ASP A 48 -3.620 -14.630 -9.713 1.00 0.00 O ATOM 678 OD2 ASP A 48 -1.882 -15.421 -10.800 1.00 0.00 O ATOM 0 H ASP A 48 -0.428 -11.366 -9.025 1.00 0.00 H new ATOM 0 HA ASP A 48 -2.080 -13.214 -7.654 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -2.225 -12.442 -10.022 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -0.735 -13.292 -10.378 1.00 0.00 H new ATOM 683 N ARG A 49 0.976 -14.310 -8.259 1.00 0.00 N ATOM 684 CA ARG A 49 1.988 -15.278 -7.829 1.00 0.00 C ATOM 685 C ARG A 49 2.236 -15.253 -6.326 1.00 0.00 C ATOM 686 O ARG A 49 2.623 -16.279 -5.757 1.00 0.00 O ATOM 687 CB ARG A 49 3.312 -14.973 -8.539 1.00 0.00 C ATOM 688 CG ARG A 49 3.294 -15.444 -9.989 1.00 0.00 C ATOM 689 CD ARG A 49 4.613 -15.087 -10.678 1.00 0.00 C ATOM 690 NE ARG A 49 4.769 -15.940 -11.859 1.00 0.00 N ATOM 691 CZ ARG A 49 5.693 -16.886 -12.029 1.00 0.00 C ATOM 692 NH1 ARG A 49 6.846 -16.843 -11.367 1.00 0.00 N ATOM 693 NH2 ARG A 49 5.433 -17.892 -12.853 1.00 0.00 N ATOM 0 H ARG A 49 1.330 -13.622 -8.923 1.00 0.00 H new ATOM 0 HA ARG A 49 1.609 -16.267 -8.088 1.00 0.00 H new ATOM 0 HB2 ARG A 49 3.504 -13.901 -8.507 1.00 0.00 H new ATOM 0 HB3 ARG A 49 4.130 -15.459 -8.008 1.00 0.00 H new ATOM 0 HG2 ARG A 49 3.136 -16.522 -10.027 1.00 0.00 H new ATOM 0 HG3 ARG A 49 2.462 -14.981 -10.519 1.00 0.00 H new ATOM 0 HD2 ARG A 49 4.616 -14.036 -10.967 1.00 0.00 H new ATOM 0 HD3 ARG A 49 5.449 -15.232 -9.993 1.00 0.00 H new ATOM 0 HE ARG A 49 4.109 -15.797 -12.623 1.00 0.00 H new ATOM 0 HH11 ARG A 49 7.033 -16.079 -10.718 1.00 0.00 H new ATOM 0 HH12 ARG A 49 7.543 -17.574 -11.508 1.00 0.00 H new ATOM 0 HH21 ARG A 49 4.539 -17.932 -13.343 1.00 0.00 H new ATOM 0 HH22 ARG A 49 6.127 -18.626 -12.997 1.00 0.00 H new ATOM 707 N ASP A 50 2.090 -14.093 -5.685 1.00 0.00 N ATOM 708 CA ASP A 50 2.332 -13.965 -4.251 1.00 0.00 C ATOM 709 C ASP A 50 1.274 -14.707 -3.429 1.00 0.00 C ATOM 710 O ASP A 50 1.563 -15.128 -2.311 1.00 0.00 O ATOM 711 CB ASP A 50 2.422 -12.490 -3.859 1.00 0.00 C ATOM 712 CG ASP A 50 2.792 -12.308 -2.394 1.00 0.00 C ATOM 713 OD1 ASP A 50 3.885 -12.770 -1.997 1.00 0.00 O ATOM 714 OD2 ASP A 50 2.021 -11.674 -1.639 1.00 0.00 O ATOM 0 H ASP A 50 1.804 -13.226 -6.140 1.00 0.00 H new ATOM 0 HA ASP A 50 3.289 -14.436 -4.024 1.00 0.00 H new ATOM 0 HB2 ASP A 50 3.164 -11.994 -4.484 1.00 0.00 H new ATOM 0 HB3 ASP A 50 1.466 -12.005 -4.054 1.00 0.00 H new ATOM 719 N GLY A 51 0.099 -14.972 -4.006 1.00 0.00 N ATOM 720 CA GLY A 51 -0.908 -15.864 -3.451 1.00 0.00 C ATOM 721 C GLY A 51 -1.503 -15.347 -2.144 1.00 0.00 C ATOM 722 O GLY A 51 -1.650 -16.130 -1.201 1.00 0.00 O ATOM 0 H GLY A 51 -0.180 -14.558 -4.896 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -1.707 -16.000 -4.180 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -0.463 -16.844 -3.279 1.00 0.00 H new ATOM 726 N ARG A 52 -1.869 -14.065 -2.085 1.00 0.00 N ATOM 727 CA ARG A 52 -2.507 -13.418 -0.938 1.00 0.00 C ATOM 728 C ARG A 52 -3.544 -12.383 -1.364 1.00 0.00 C ATOM 729 O ARG A 52 -4.636 -12.366 -0.798 1.00 0.00 O ATOM 730 CB ARG A 52 -1.437 -12.753 -0.059 1.00 0.00 C ATOM 731 CG ARG A 52 -0.909 -13.735 0.988 1.00 0.00 C ATOM 732 CD ARG A 52 0.244 -13.132 1.789 1.00 0.00 C ATOM 733 NE ARG A 52 1.497 -13.234 1.036 1.00 0.00 N ATOM 734 CZ ARG A 52 2.311 -14.290 1.032 1.00 0.00 C ATOM 735 NH1 ARG A 52 2.031 -15.373 1.749 1.00 0.00 N ATOM 736 NH2 ARG A 52 3.414 -14.288 0.299 1.00 0.00 N ATOM 0 H ARG A 52 -1.723 -13.425 -2.865 1.00 0.00 H new ATOM 0 HA ARG A 52 -3.029 -14.189 -0.372 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -0.615 -12.401 -0.682 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -1.858 -11.878 0.436 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -1.716 -14.016 1.665 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -0.573 -14.648 0.496 1.00 0.00 H new ATOM 0 HD2 ARG A 52 0.031 -12.087 2.014 1.00 0.00 H new ATOM 0 HD3 ARG A 52 0.342 -13.650 2.743 1.00 0.00 H new ATOM 0 HE ARG A 52 1.769 -12.431 0.468 1.00 0.00 H new ATOM 0 HH11 ARG A 52 1.182 -15.405 2.314 1.00 0.00 H new ATOM 0 HH12 ARG A 52 2.665 -16.172 1.734 1.00 0.00 H new ATOM 0 HH21 ARG A 52 3.647 -13.474 -0.269 1.00 0.00 H new ATOM 0 HH22 ARG A 52 4.030 -15.101 0.303 1.00 0.00 H new ATOM 750 N LEU A 53 -3.214 -11.496 -2.305 1.00 0.00 N ATOM 751 CA LEU A 53 -4.121 -10.432 -2.727 1.00 0.00 C ATOM 752 C LEU A 53 -5.249 -11.026 -3.556 1.00 0.00 C ATOM 753 O LEU A 53 -5.040 -11.997 -4.283 1.00 0.00 O ATOM 754 CB LEU A 53 -3.379 -9.409 -3.607 1.00 0.00 C ATOM 755 CG LEU A 53 -2.599 -8.346 -2.820 1.00 0.00 C ATOM 756 CD1 LEU A 53 -1.763 -7.528 -3.811 1.00 0.00 C ATOM 757 CD2 LEU A 53 -3.538 -7.392 -2.084 1.00 0.00 C ATOM 0 H LEU A 53 -2.317 -11.496 -2.791 1.00 0.00 H new ATOM 0 HA LEU A 53 -4.510 -9.942 -1.835 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -2.687 -9.942 -4.259 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -4.102 -8.909 -4.251 1.00 0.00 H new ATOM 0 HG LEU A 53 -1.972 -8.852 -2.085 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -1.201 -6.766 -3.271 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -1.071 -8.188 -4.334 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -2.423 -7.048 -4.534 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -2.951 -6.653 -1.538 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -4.180 -6.885 -2.805 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -4.154 -7.956 -1.384 1.00 0.00 H new ATOM 769 N HIS A 54 -6.394 -10.354 -3.559 1.00 0.00 N ATOM 770 CA HIS A 54 -7.451 -10.545 -4.538 1.00 0.00 C ATOM 771 C HIS A 54 -8.101 -9.205 -4.891 1.00 0.00 C ATOM 772 O HIS A 54 -8.094 -8.263 -4.093 1.00 0.00 O ATOM 773 CB HIS A 54 -8.503 -11.522 -3.996 1.00 0.00 C ATOM 774 CG HIS A 54 -8.133 -12.978 -4.095 1.00 0.00 C ATOM 775 ND1 HIS A 54 -8.511 -13.953 -3.202 1.00 0.00 N ATOM 776 CD2 HIS A 54 -7.421 -13.585 -5.096 1.00 0.00 C ATOM 777 CE1 HIS A 54 -8.028 -15.125 -3.642 1.00 0.00 C ATOM 778 NE2 HIS A 54 -7.340 -14.942 -4.780 1.00 0.00 N ATOM 0 H HIS A 54 -6.616 -9.644 -2.862 1.00 0.00 H new ATOM 0 HA HIS A 54 -7.015 -10.966 -5.444 1.00 0.00 H new ATOM 0 HB2 HIS A 54 -8.695 -11.282 -2.950 1.00 0.00 H new ATOM 0 HB3 HIS A 54 -9.437 -11.363 -4.536 1.00 0.00 H new ATOM 0 HD2 HIS A 54 -7.001 -13.103 -5.967 1.00 0.00 H new ATOM 0 HE1 HIS A 54 -8.172 -16.077 -3.152 1.00 0.00 H new ATOM 0 HE2 HIS A 54 -6.850 -15.660 -5.314 1.00 0.00 H new ATOM 786 N PRO A 55 -8.709 -9.109 -6.085 1.00 0.00 N ATOM 787 CA PRO A 55 -9.590 -8.005 -6.430 1.00 0.00 C ATOM 788 C PRO A 55 -10.729 -7.938 -5.406 1.00 0.00 C ATOM 789 O PRO A 55 -11.320 -8.969 -5.064 1.00 0.00 O ATOM 790 CB PRO A 55 -10.108 -8.308 -7.845 1.00 0.00 C ATOM 791 CG PRO A 55 -9.175 -9.394 -8.375 1.00 0.00 C ATOM 792 CD PRO A 55 -8.711 -10.118 -7.132 1.00 0.00 C ATOM 0 HA PRO A 55 -9.088 -7.038 -6.414 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -11.142 -8.651 -7.823 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -10.080 -7.419 -8.476 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -9.693 -10.067 -9.058 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -8.336 -8.966 -8.924 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -9.379 -10.943 -6.884 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -7.717 -10.544 -7.271 1.00 0.00 H new ATOM 800 N GLY A 56 -11.052 -6.741 -4.917 1.00 0.00 N ATOM 801 CA GLY A 56 -12.139 -6.527 -3.964 1.00 0.00 C ATOM 802 C GLY A 56 -11.707 -6.644 -2.504 1.00 0.00 C ATOM 803 O GLY A 56 -12.555 -6.626 -1.612 1.00 0.00 O ATOM 0 H GLY A 56 -10.561 -5.885 -5.174 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -12.566 -5.538 -4.129 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -12.929 -7.252 -4.159 1.00 0.00 H new ATOM 807 N ASP A 57 -10.408 -6.776 -2.241 1.00 0.00 N ATOM 808 CA ASP A 57 -9.869 -6.711 -0.889 1.00 0.00 C ATOM 809 C ASP A 57 -9.819 -5.238 -0.498 1.00 0.00 C ATOM 810 O ASP A 57 -9.253 -4.448 -1.253 1.00 0.00 O ATOM 811 CB ASP A 57 -8.489 -7.378 -0.826 1.00 0.00 C ATOM 812 CG ASP A 57 -8.541 -8.905 -0.943 1.00 0.00 C ATOM 813 OD1 ASP A 57 -9.657 -9.479 -0.950 1.00 0.00 O ATOM 814 OD2 ASP A 57 -7.456 -9.520 -1.013 1.00 0.00 O ATOM 0 H ASP A 57 -9.702 -6.931 -2.961 1.00 0.00 H new ATOM 0 HA ASP A 57 -10.498 -7.255 -0.184 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -7.866 -6.981 -1.628 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -8.008 -7.110 0.114 1.00 0.00 H new ATOM 819 N GLU A 58 -10.462 -4.826 0.604 1.00 0.00 N ATOM 820 CA GLU A 58 -10.423 -3.424 1.024 1.00 0.00 C ATOM 821 C GLU A 58 -9.034 -3.142 1.583 1.00 0.00 C ATOM 822 O GLU A 58 -8.567 -3.855 2.468 1.00 0.00 O ATOM 823 CB GLU A 58 -11.529 -3.061 2.028 1.00 0.00 C ATOM 824 CG GLU A 58 -11.708 -1.522 2.062 1.00 0.00 C ATOM 825 CD GLU A 58 -12.879 -1.034 2.930 1.00 0.00 C ATOM 826 OE1 GLU A 58 -13.936 -1.710 2.952 1.00 0.00 O ATOM 827 OE2 GLU A 58 -12.755 0.044 3.565 1.00 0.00 O ATOM 0 H GLU A 58 -11.008 -5.437 1.212 1.00 0.00 H new ATOM 0 HA GLU A 58 -10.618 -2.791 0.159 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -12.465 -3.541 1.744 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -11.270 -3.430 3.020 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -10.787 -1.070 2.430 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -11.854 -1.164 1.043 1.00 0.00 H new ATOM 834 N LEU A 59 -8.353 -2.148 1.027 1.00 0.00 N ATOM 835 CA LEU A 59 -7.042 -1.716 1.473 1.00 0.00 C ATOM 836 C LEU A 59 -7.192 -0.879 2.737 1.00 0.00 C ATOM 837 O LEU A 59 -8.178 -0.165 2.913 1.00 0.00 O ATOM 838 CB LEU A 59 -6.332 -0.913 0.367 1.00 0.00 C ATOM 839 CG LEU A 59 -5.194 -1.702 -0.299 1.00 0.00 C ATOM 840 CD1 LEU A 59 -4.611 -0.888 -1.446 1.00 0.00 C ATOM 841 CD2 LEU A 59 -4.052 -2.032 0.672 1.00 0.00 C ATOM 0 H LEU A 59 -8.708 -1.610 0.236 1.00 0.00 H new ATOM 0 HA LEU A 59 -6.430 -2.590 1.694 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -7.060 -0.623 -0.391 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -5.931 0.007 0.792 1.00 0.00 H new ATOM 0 HG LEU A 59 -5.628 -2.638 -0.650 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -3.804 -1.449 -1.917 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -5.390 -0.686 -2.181 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -4.221 0.055 -1.062 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -3.277 -2.590 0.146 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -3.630 -1.107 1.065 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -4.437 -2.634 1.495 1.00 0.00 H new ATOM 853 N VAL A 60 -6.170 -0.934 3.584 1.00 0.00 N ATOM 854 CA VAL A 60 -6.131 -0.263 4.873 1.00 0.00 C ATOM 855 C VAL A 60 -4.846 0.542 4.942 1.00 0.00 C ATOM 856 O VAL A 60 -4.907 1.745 5.186 1.00 0.00 O ATOM 857 CB VAL A 60 -6.211 -1.279 6.030 1.00 0.00 C ATOM 858 CG1 VAL A 60 -6.658 -0.585 7.321 1.00 0.00 C ATOM 859 CG2 VAL A 60 -7.182 -2.420 5.748 1.00 0.00 C ATOM 0 H VAL A 60 -5.321 -1.463 3.384 1.00 0.00 H new ATOM 0 HA VAL A 60 -6.991 0.398 4.975 1.00 0.00 H new ATOM 0 HB VAL A 60 -5.209 -1.694 6.136 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -6.709 -1.316 8.128 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -5.942 0.194 7.582 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -7.641 -0.139 7.172 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -7.197 -3.104 6.597 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -8.182 -2.016 5.590 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -6.863 -2.957 4.855 1.00 0.00 H new ATOM 869 N TYR A 61 -3.705 -0.096 4.673 1.00 0.00 N ATOM 870 CA TYR A 61 -2.388 0.507 4.763 1.00 0.00 C ATOM 871 C TYR A 61 -1.583 0.151 3.526 1.00 0.00 C ATOM 872 O TYR A 61 -1.745 -0.932 2.960 1.00 0.00 O ATOM 873 CB TYR A 61 -1.665 0.013 6.014 1.00 0.00 C ATOM 874 CG TYR A 61 -2.328 0.360 7.329 1.00 0.00 C ATOM 875 CD1 TYR A 61 -2.016 1.578 7.946 1.00 0.00 C ATOM 876 CD2 TYR A 61 -3.213 -0.529 7.962 1.00 0.00 C ATOM 877 CE1 TYR A 61 -2.583 1.919 9.183 1.00 0.00 C ATOM 878 CE2 TYR A 61 -3.835 -0.170 9.170 1.00 0.00 C ATOM 879 CZ TYR A 61 -3.535 1.067 9.781 1.00 0.00 C ATOM 880 OH TYR A 61 -4.184 1.479 10.902 1.00 0.00 O ATOM 0 H TYR A 61 -3.679 -1.072 4.379 1.00 0.00 H new ATOM 0 HA TYR A 61 -2.495 1.590 4.827 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -1.567 -1.071 5.952 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -0.656 0.425 6.016 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -1.332 2.261 7.465 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -3.416 -1.492 7.518 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -2.291 2.834 9.677 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -4.544 -0.841 9.632 1.00 0.00 H new ATOM 0 HH TYR A 61 -4.809 0.782 11.193 1.00 0.00 H new ATOM 890 N VAL A 62 -0.718 1.072 3.119 1.00 0.00 N ATOM 891 CA VAL A 62 0.036 1.032 1.878 1.00 0.00 C ATOM 892 C VAL A 62 1.388 1.668 2.182 1.00 0.00 C ATOM 893 O VAL A 62 1.419 2.800 2.674 1.00 0.00 O ATOM 894 CB VAL A 62 -0.747 1.797 0.790 1.00 0.00 C ATOM 895 CG1 VAL A 62 0.120 2.026 -0.452 1.00 0.00 C ATOM 896 CG2 VAL A 62 -1.999 1.020 0.359 1.00 0.00 C ATOM 0 H VAL A 62 -0.516 1.904 3.673 1.00 0.00 H new ATOM 0 HA VAL A 62 0.186 0.020 1.503 1.00 0.00 H new ATOM 0 HB VAL A 62 -1.036 2.754 1.224 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -0.456 2.567 -1.203 1.00 0.00 H new ATOM 0 HG12 VAL A 62 0.999 2.609 -0.179 1.00 0.00 H new ATOM 0 HG13 VAL A 62 0.434 1.065 -0.859 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -2.531 1.583 -0.408 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -1.705 0.050 -0.041 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -2.651 0.875 1.220 1.00 0.00 H new ATOM 906 N ASP A 63 2.480 0.931 1.933 1.00 0.00 N ATOM 907 CA ASP A 63 3.834 1.128 2.475 1.00 0.00 C ATOM 908 C ASP A 63 3.801 0.925 3.991 1.00 0.00 C ATOM 909 O ASP A 63 4.434 0.009 4.501 1.00 0.00 O ATOM 910 CB ASP A 63 4.459 2.457 1.999 1.00 0.00 C ATOM 911 CG ASP A 63 5.854 2.754 2.568 1.00 0.00 C ATOM 912 OD1 ASP A 63 6.018 2.742 3.810 1.00 0.00 O ATOM 913 OD2 ASP A 63 6.759 3.099 1.771 1.00 0.00 O ATOM 0 H ASP A 63 2.439 0.128 1.306 1.00 0.00 H new ATOM 0 HA ASP A 63 4.514 0.375 2.077 1.00 0.00 H new ATOM 0 HB2 ASP A 63 4.521 2.443 0.911 1.00 0.00 H new ATOM 0 HB3 ASP A 63 3.790 3.274 2.270 1.00 0.00 H new ATOM 918 N GLY A 64 2.960 1.676 4.687 1.00 0.00 N ATOM 919 CA GLY A 64 2.535 1.460 6.061 1.00 0.00 C ATOM 920 C GLY A 64 1.606 2.584 6.527 1.00 0.00 C ATOM 921 O GLY A 64 1.005 2.485 7.594 1.00 0.00 O ATOM 0 H GLY A 64 2.529 2.506 4.280 1.00 0.00 H new ATOM 0 HA2 GLY A 64 2.022 0.502 6.141 1.00 0.00 H new ATOM 0 HA3 GLY A 64 3.407 1.410 6.712 1.00 0.00 H new ATOM 925 N ILE A 65 1.448 3.635 5.718 1.00 0.00 N ATOM 926 CA ILE A 65 0.548 4.756 5.902 1.00 0.00 C ATOM 927 C ILE A 65 -0.870 4.257 5.618 1.00 0.00 C ATOM 928 O ILE A 65 -1.067 3.497 4.663 1.00 0.00 O ATOM 929 CB ILE A 65 0.943 5.870 4.901 1.00 0.00 C ATOM 930 CG1 ILE A 65 2.410 6.348 5.042 1.00 0.00 C ATOM 931 CG2 ILE A 65 0.053 7.114 5.079 1.00 0.00 C ATOM 932 CD1 ILE A 65 3.484 5.465 4.388 1.00 0.00 C ATOM 0 H ILE A 65 1.989 3.722 4.858 1.00 0.00 H new ATOM 0 HA ILE A 65 0.602 5.157 6.914 1.00 0.00 H new ATOM 0 HB ILE A 65 0.812 5.413 3.920 1.00 0.00 H new ATOM 0 HG12 ILE A 65 2.485 7.349 4.616 1.00 0.00 H new ATOM 0 HG13 ILE A 65 2.640 6.435 6.104 1.00 0.00 H new ATOM 0 HG21 ILE A 65 0.352 7.880 4.364 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -0.989 6.844 4.907 1.00 0.00 H new ATOM 0 HG23 ILE A 65 0.165 7.500 6.092 1.00 0.00 H new ATOM 0 HD11 ILE A 65 4.467 5.904 4.555 1.00 0.00 H new ATOM 0 HD12 ILE A 65 3.452 4.468 4.827 1.00 0.00 H new ATOM 0 HD13 ILE A 65 3.295 5.396 3.317 1.00 0.00 H new ATOM 944 N PRO A 66 -1.869 4.668 6.409 1.00 0.00 N ATOM 945 CA PRO A 66 -3.254 4.276 6.207 1.00 0.00 C ATOM 946 C PRO A 66 -3.934 5.066 5.087 1.00 0.00 C ATOM 947 O PRO A 66 -3.990 6.297 5.145 1.00 0.00 O ATOM 948 CB PRO A 66 -3.961 4.524 7.530 1.00 0.00 C ATOM 949 CG PRO A 66 -3.042 5.464 8.316 1.00 0.00 C ATOM 950 CD PRO A 66 -1.685 5.378 7.659 1.00 0.00 C ATOM 0 HA PRO A 66 -3.302 3.231 5.902 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -4.941 4.974 7.373 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -4.122 3.591 8.070 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -3.421 6.486 8.294 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -2.986 5.167 9.363 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -1.278 6.373 7.482 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -0.977 4.853 8.301 1.00 0.00 H new ATOM 958 N VAL A 67 -4.547 4.367 4.131 1.00 0.00 N ATOM 959 CA VAL A 67 -5.307 4.978 3.037 1.00 0.00 C ATOM 960 C VAL A 67 -6.717 5.434 3.461 1.00 0.00 C ATOM 961 O VAL A 67 -7.409 6.092 2.683 1.00 0.00 O ATOM 962 CB VAL A 67 -5.387 4.016 1.831 1.00 0.00 C ATOM 963 CG1 VAL A 67 -4.009 3.692 1.249 1.00 0.00 C ATOM 964 CG2 VAL A 67 -6.065 2.673 2.131 1.00 0.00 C ATOM 0 H VAL A 67 -4.530 3.348 4.093 1.00 0.00 H new ATOM 0 HA VAL A 67 -4.765 5.878 2.746 1.00 0.00 H new ATOM 0 HB VAL A 67 -5.997 4.571 1.118 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -4.121 3.012 0.404 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -3.530 4.612 0.914 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -3.393 3.220 2.014 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -6.077 2.062 1.229 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -5.513 2.153 2.914 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -7.088 2.848 2.464 1.00 0.00 H new ATOM 974 N ALA A 68 -7.168 5.076 4.668 1.00 0.00 N ATOM 975 CA ALA A 68 -8.543 5.273 5.115 1.00 0.00 C ATOM 976 C ALA A 68 -8.928 6.754 5.032 1.00 0.00 C ATOM 977 O ALA A 68 -8.178 7.612 5.500 1.00 0.00 O ATOM 978 CB ALA A 68 -8.686 4.740 6.541 1.00 0.00 C ATOM 0 H ALA A 68 -6.575 4.634 5.370 1.00 0.00 H new ATOM 0 HA ALA A 68 -9.223 4.724 4.464 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -9.711 4.884 6.882 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -8.443 3.677 6.558 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -8.005 5.278 7.201 1.00 0.00 H new ATOM 984 N GLY A 69 -10.069 7.065 4.412 1.00 0.00 N ATOM 985 CA GLY A 69 -10.581 8.425 4.257 1.00 0.00 C ATOM 986 C GLY A 69 -9.813 9.310 3.266 1.00 0.00 C ATOM 987 O GLY A 69 -10.307 10.375 2.889 1.00 0.00 O ATOM 0 H GLY A 69 -10.676 6.359 3.994 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -11.621 8.369 3.937 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -10.574 8.911 5.233 1.00 0.00 H new ATOM 991 N LYS A 70 -8.620 8.913 2.813 1.00 0.00 N ATOM 992 CA LYS A 70 -7.914 9.556 1.707 1.00 0.00 C ATOM 993 C LYS A 70 -8.595 9.138 0.399 1.00 0.00 C ATOM 994 O LYS A 70 -9.562 8.374 0.411 1.00 0.00 O ATOM 995 CB LYS A 70 -6.423 9.177 1.783 1.00 0.00 C ATOM 996 CG LYS A 70 -5.824 9.455 3.176 1.00 0.00 C ATOM 997 CD LYS A 70 -5.869 10.955 3.508 1.00 0.00 C ATOM 998 CE LYS A 70 -4.944 11.325 4.671 1.00 0.00 C ATOM 999 NZ LYS A 70 -4.948 12.782 4.902 1.00 0.00 N ATOM 0 H LYS A 70 -8.112 8.124 3.212 1.00 0.00 H new ATOM 0 HA LYS A 70 -7.960 10.644 1.760 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -6.305 8.120 1.543 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -5.868 9.739 1.032 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -6.376 8.895 3.931 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -4.793 9.103 3.209 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -5.585 11.528 2.625 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -6.892 11.239 3.757 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -5.265 10.808 5.575 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -3.930 10.989 4.455 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -4.314 13.010 5.695 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -4.619 13.270 4.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -5.913 13.095 5.130 1.00 0.00 H new ATOM 1013 N THR A 71 -8.110 9.637 -0.736 1.00 0.00 N ATOM 1014 CA THR A 71 -8.654 9.269 -2.042 1.00 0.00 C ATOM 1015 C THR A 71 -7.600 8.527 -2.857 1.00 0.00 C ATOM 1016 O THR A 71 -6.436 8.492 -2.454 1.00 0.00 O ATOM 1017 CB THR A 71 -9.248 10.502 -2.747 1.00 0.00 C ATOM 1018 OG1 THR A 71 -8.310 11.532 -2.999 1.00 0.00 O ATOM 1019 CG2 THR A 71 -10.423 11.059 -1.952 1.00 0.00 C ATOM 0 H THR A 71 -7.337 10.301 -0.778 1.00 0.00 H new ATOM 0 HA THR A 71 -9.485 8.574 -1.921 1.00 0.00 H new ATOM 0 HB THR A 71 -9.585 10.147 -3.721 1.00 0.00 H new ATOM 0 HG1 THR A 71 -8.757 12.279 -3.449 1.00 0.00 H new ATOM 0 HG21 THR A 71 -10.830 11.930 -2.466 1.00 0.00 H new ATOM 0 HG22 THR A 71 -11.196 10.296 -1.863 1.00 0.00 H new ATOM 0 HG23 THR A 71 -10.084 11.350 -0.958 1.00 0.00 H new ATOM 1027 N HIS A 72 -7.998 7.969 -4.003 1.00 0.00 N ATOM 1028 CA HIS A 72 -7.153 7.271 -4.971 1.00 0.00 C ATOM 1029 C HIS A 72 -5.754 7.884 -5.063 1.00 0.00 C ATOM 1030 O HIS A 72 -4.761 7.231 -4.741 1.00 0.00 O ATOM 1031 CB HIS A 72 -7.891 7.278 -6.318 1.00 0.00 C ATOM 1032 CG HIS A 72 -7.093 6.737 -7.476 1.00 0.00 C ATOM 1033 ND1 HIS A 72 -6.762 5.426 -7.727 1.00 0.00 N ATOM 1034 CD2 HIS A 72 -6.566 7.495 -8.480 1.00 0.00 C ATOM 1035 CE1 HIS A 72 -6.068 5.404 -8.882 1.00 0.00 C ATOM 1036 NE2 HIS A 72 -5.927 6.642 -9.381 1.00 0.00 N ATOM 0 H HIS A 72 -8.975 7.995 -4.295 1.00 0.00 H new ATOM 0 HA HIS A 72 -6.985 6.243 -4.650 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -8.805 6.692 -6.219 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -8.191 8.301 -6.547 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -6.632 8.570 -8.563 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -5.677 4.510 -9.344 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -5.450 6.906 -10.243 1.00 0.00 H new ATOM 1044 N ARG A 73 -5.678 9.163 -5.436 1.00 0.00 N ATOM 1045 CA ARG A 73 -4.437 9.891 -5.676 1.00 0.00 C ATOM 1046 C ARG A 73 -3.463 9.816 -4.505 1.00 0.00 C ATOM 1047 O ARG A 73 -2.261 9.727 -4.751 1.00 0.00 O ATOM 1048 CB ARG A 73 -4.840 11.351 -5.940 1.00 0.00 C ATOM 1049 CG ARG A 73 -3.688 12.314 -6.228 1.00 0.00 C ATOM 1050 CD ARG A 73 -3.140 12.058 -7.626 1.00 0.00 C ATOM 1051 NE ARG A 73 -1.905 12.810 -7.844 1.00 0.00 N ATOM 1052 CZ ARG A 73 -1.513 13.404 -8.968 1.00 0.00 C ATOM 1053 NH1 ARG A 73 -2.318 13.477 -10.022 1.00 0.00 N ATOM 1054 NH2 ARG A 73 -0.295 13.917 -9.025 1.00 0.00 N ATOM 0 H ARG A 73 -6.508 9.737 -5.583 1.00 0.00 H new ATOM 0 HA ARG A 73 -3.911 9.446 -6.520 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -5.527 11.372 -6.786 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -5.390 11.719 -5.074 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -4.034 13.344 -6.146 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -2.898 12.183 -5.488 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -2.951 10.993 -7.758 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -3.882 12.345 -8.371 1.00 0.00 H new ATOM 0 HE ARG A 73 -1.274 12.888 -7.046 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -3.254 13.074 -9.978 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -2.000 13.936 -10.876 1.00 0.00 H new ATOM 0 HH21 ARG A 73 0.324 13.853 -8.217 1.00 0.00 H new ATOM 0 HH22 ARG A 73 0.025 14.377 -9.877 1.00 0.00 H new ATOM 1068 N TYR A 74 -3.953 9.847 -3.262 1.00 0.00 N ATOM 1069 CA TYR A 74 -3.133 9.739 -2.058 1.00 0.00 C ATOM 1070 C TYR A 74 -2.236 8.504 -2.145 1.00 0.00 C ATOM 1071 O TYR A 74 -1.043 8.548 -1.849 1.00 0.00 O ATOM 1072 CB TYR A 74 -4.038 9.657 -0.833 1.00 0.00 C ATOM 1073 CG TYR A 74 -3.307 9.769 0.487 1.00 0.00 C ATOM 1074 CD1 TYR A 74 -2.836 8.613 1.135 1.00 0.00 C ATOM 1075 CD2 TYR A 74 -3.189 11.022 1.113 1.00 0.00 C ATOM 1076 CE1 TYR A 74 -2.255 8.705 2.410 1.00 0.00 C ATOM 1077 CE2 TYR A 74 -2.591 11.121 2.379 1.00 0.00 C ATOM 1078 CZ TYR A 74 -2.128 9.962 3.041 1.00 0.00 C ATOM 1079 OH TYR A 74 -1.676 10.046 4.324 1.00 0.00 O ATOM 0 H TYR A 74 -4.948 9.950 -3.064 1.00 0.00 H new ATOM 0 HA TYR A 74 -2.497 10.620 -1.971 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -4.783 10.451 -0.892 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -4.578 8.711 -0.857 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -2.921 7.652 0.650 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -3.559 11.909 0.620 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -1.905 7.813 2.909 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -2.484 12.087 2.849 1.00 0.00 H new ATOM 0 HH TYR A 74 -1.650 10.986 4.601 1.00 0.00 H new ATOM 1089 N VAL A 75 -2.839 7.394 -2.561 1.00 0.00 N ATOM 1090 CA VAL A 75 -2.214 6.092 -2.630 1.00 0.00 C ATOM 1091 C VAL A 75 -1.278 6.020 -3.834 1.00 0.00 C ATOM 1092 O VAL A 75 -0.202 5.442 -3.733 1.00 0.00 O ATOM 1093 CB VAL A 75 -3.314 5.015 -2.711 1.00 0.00 C ATOM 1094 CG1 VAL A 75 -2.662 3.689 -2.328 1.00 0.00 C ATOM 1095 CG2 VAL A 75 -4.520 5.296 -1.795 1.00 0.00 C ATOM 0 H VAL A 75 -3.811 7.384 -2.869 1.00 0.00 H new ATOM 0 HA VAL A 75 -1.614 5.918 -1.737 1.00 0.00 H new ATOM 0 HB VAL A 75 -3.717 5.001 -3.724 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -3.405 2.892 -2.371 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -1.852 3.468 -3.023 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -2.263 3.759 -1.316 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -5.254 4.497 -1.904 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -4.186 5.343 -0.758 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -4.975 6.247 -2.073 1.00 0.00 H new ATOM 1105 N ILE A 76 -1.643 6.619 -4.965 1.00 0.00 N ATOM 1106 CA ILE A 76 -0.789 6.640 -6.153 1.00 0.00 C ATOM 1107 C ILE A 76 0.523 7.383 -5.848 1.00 0.00 C ATOM 1108 O ILE A 76 1.597 6.970 -6.290 1.00 0.00 O ATOM 1109 CB ILE A 76 -1.584 7.225 -7.342 1.00 0.00 C ATOM 1110 CG1 ILE A 76 -2.944 6.530 -7.573 1.00 0.00 C ATOM 1111 CG2 ILE A 76 -0.798 7.128 -8.651 1.00 0.00 C ATOM 1112 CD1 ILE A 76 -2.890 5.000 -7.653 1.00 0.00 C ATOM 0 H ILE A 76 -2.534 7.101 -5.085 1.00 0.00 H new ATOM 0 HA ILE A 76 -0.497 5.630 -6.440 1.00 0.00 H new ATOM 0 HB ILE A 76 -1.756 8.266 -7.067 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -3.620 6.812 -6.766 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -3.376 6.911 -8.498 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -1.390 7.550 -9.463 1.00 0.00 H new ATOM 0 HG22 ILE A 76 0.136 7.683 -8.557 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -0.578 6.082 -8.867 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -3.894 4.609 -7.817 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -2.245 4.701 -8.479 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -2.492 4.601 -6.720 1.00 0.00 H new ATOM 1124 N ASP A 77 0.461 8.424 -5.017 1.00 0.00 N ATOM 1125 CA ASP A 77 1.635 9.142 -4.530 1.00 0.00 C ATOM 1126 C ASP A 77 2.528 8.236 -3.677 1.00 0.00 C ATOM 1127 O ASP A 77 3.761 8.300 -3.743 1.00 0.00 O ATOM 1128 CB ASP A 77 1.166 10.339 -3.692 1.00 0.00 C ATOM 1129 CG ASP A 77 2.094 11.537 -3.830 1.00 0.00 C ATOM 1130 OD1 ASP A 77 3.322 11.416 -3.627 1.00 0.00 O ATOM 1131 OD2 ASP A 77 1.581 12.628 -4.159 1.00 0.00 O ATOM 0 H ASP A 77 -0.419 8.796 -4.660 1.00 0.00 H new ATOM 0 HA ASP A 77 2.221 9.479 -5.385 1.00 0.00 H new ATOM 0 HB2 ASP A 77 0.160 10.624 -4.000 1.00 0.00 H new ATOM 0 HB3 ASP A 77 1.108 10.046 -2.644 1.00 0.00 H new ATOM 1136 N LEU A 78 1.910 7.394 -2.846 1.00 0.00 N ATOM 1137 CA LEU A 78 2.601 6.468 -1.958 1.00 0.00 C ATOM 1138 C LEU A 78 3.219 5.321 -2.740 1.00 0.00 C ATOM 1139 O LEU A 78 4.316 4.873 -2.404 1.00 0.00 O ATOM 1140 CB LEU A 78 1.610 5.917 -0.926 1.00 0.00 C ATOM 1141 CG LEU A 78 1.364 6.881 0.239 1.00 0.00 C ATOM 1142 CD1 LEU A 78 0.268 6.291 1.115 1.00 0.00 C ATOM 1143 CD2 LEU A 78 2.613 7.082 1.099 1.00 0.00 C ATOM 0 H LEU A 78 0.894 7.339 -2.773 1.00 0.00 H new ATOM 0 HA LEU A 78 3.403 7.006 -1.452 1.00 0.00 H new ATOM 0 HB2 LEU A 78 0.662 5.702 -1.419 1.00 0.00 H new ATOM 0 HB3 LEU A 78 1.988 4.972 -0.535 1.00 0.00 H new ATOM 0 HG LEU A 78 1.083 7.850 -0.174 1.00 0.00 H new ATOM 0 HD11 LEU A 78 0.073 6.959 1.954 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -0.642 6.171 0.528 1.00 0.00 H new ATOM 0 HD13 LEU A 78 0.587 5.319 1.492 1.00 0.00 H new ATOM 0 HD21 LEU A 78 2.388 7.773 1.911 1.00 0.00 H new ATOM 0 HD22 LEU A 78 2.927 6.124 1.514 1.00 0.00 H new ATOM 0 HD23 LEU A 78 3.415 7.492 0.485 1.00 0.00 H new ATOM 1155 N MET A 79 2.541 4.839 -3.780 1.00 0.00 N ATOM 1156 CA MET A 79 3.043 3.804 -4.671 1.00 0.00 C ATOM 1157 C MET A 79 4.352 4.265 -5.305 1.00 0.00 C ATOM 1158 O MET A 79 5.284 3.471 -5.461 1.00 0.00 O ATOM 1159 CB MET A 79 1.994 3.518 -5.754 1.00 0.00 C ATOM 1160 CG MET A 79 0.759 2.772 -5.252 1.00 0.00 C ATOM 1161 SD MET A 79 0.741 1.003 -5.630 1.00 0.00 S ATOM 1162 CE MET A 79 2.071 0.443 -4.543 1.00 0.00 C ATOM 0 H MET A 79 1.608 5.167 -4.029 1.00 0.00 H new ATOM 0 HA MET A 79 3.232 2.890 -4.108 1.00 0.00 H new ATOM 0 HB2 MET A 79 1.678 4.463 -6.196 1.00 0.00 H new ATOM 0 HB3 MET A 79 2.459 2.934 -6.548 1.00 0.00 H new ATOM 0 HG2 MET A 79 0.688 2.900 -4.172 1.00 0.00 H new ATOM 0 HG3 MET A 79 -0.129 3.232 -5.687 1.00 0.00 H new ATOM 0 HE1 MET A 79 2.093 -0.647 -4.527 1.00 0.00 H new ATOM 0 HE2 MET A 79 3.025 0.820 -4.911 1.00 0.00 H new ATOM 0 HE3 MET A 79 1.898 0.817 -3.534 1.00 0.00 H new ATOM 1172 N HIS A 80 4.428 5.552 -5.657 1.00 0.00 N ATOM 1173 CA HIS A 80 5.619 6.141 -6.234 1.00 0.00 C ATOM 1174 C HIS A 80 6.802 6.096 -5.260 1.00 0.00 C ATOM 1175 O HIS A 80 7.895 5.727 -5.685 1.00 0.00 O ATOM 1176 CB HIS A 80 5.312 7.557 -6.753 1.00 0.00 C ATOM 1177 CG HIS A 80 5.471 7.693 -8.248 1.00 0.00 C ATOM 1178 ND1 HIS A 80 6.438 7.095 -9.034 1.00 0.00 N ATOM 1179 CD2 HIS A 80 4.686 8.459 -9.065 1.00 0.00 C ATOM 1180 CE1 HIS A 80 6.249 7.509 -10.298 1.00 0.00 C ATOM 1181 NE2 HIS A 80 5.201 8.346 -10.361 1.00 0.00 N ATOM 0 H HIS A 80 3.656 6.210 -5.545 1.00 0.00 H new ATOM 0 HA HIS A 80 5.927 5.544 -7.093 1.00 0.00 H new ATOM 0 HB2 HIS A 80 4.292 7.824 -6.477 1.00 0.00 H new ATOM 0 HB3 HIS A 80 5.973 8.269 -6.258 1.00 0.00 H new ATOM 0 HD2 HIS A 80 3.828 9.043 -8.765 1.00 0.00 H new ATOM 0 HE1 HIS A 80 6.853 7.211 -11.142 1.00 0.00 H new ATOM 0 HE2 HIS A 80 4.847 8.812 -11.196 1.00 0.00 H new ATOM 1189 N HIS A 81 6.606 6.420 -3.975 1.00 0.00 N ATOM 1190 CA HIS A 81 7.657 6.336 -2.965 1.00 0.00 C ATOM 1191 C HIS A 81 8.046 4.881 -2.716 1.00 0.00 C ATOM 1192 O HIS A 81 9.234 4.567 -2.700 1.00 0.00 O ATOM 1193 CB HIS A 81 7.184 6.979 -1.644 1.00 0.00 C ATOM 1194 CG HIS A 81 7.690 8.376 -1.378 1.00 0.00 C ATOM 1195 ND1 HIS A 81 8.863 8.931 -1.840 1.00 0.00 N ATOM 1196 CD2 HIS A 81 7.093 9.305 -0.566 1.00 0.00 C ATOM 1197 CE1 HIS A 81 8.948 10.175 -1.354 1.00 0.00 C ATOM 1198 NE2 HIS A 81 7.885 10.461 -0.581 1.00 0.00 N ATOM 0 H HIS A 81 5.711 6.748 -3.611 1.00 0.00 H new ATOM 0 HA HIS A 81 8.528 6.877 -3.335 1.00 0.00 H new ATOM 0 HB2 HIS A 81 6.094 7.001 -1.642 1.00 0.00 H new ATOM 0 HB3 HIS A 81 7.492 6.337 -0.818 1.00 0.00 H new ATOM 0 HD2 HIS A 81 6.175 9.170 -0.013 1.00 0.00 H new ATOM 0 HE1 HIS A 81 9.761 10.857 -1.555 1.00 0.00 H new ATOM 0 HE2 HIS A 81 7.694 11.341 -0.102 1.00 0.00 H new ATOM 1206 N ALA A 82 7.068 3.989 -2.542 1.00 0.00 N ATOM 1207 CA ALA A 82 7.314 2.589 -2.222 1.00 0.00 C ATOM 1208 C ALA A 82 8.186 1.910 -3.278 1.00 0.00 C ATOM 1209 O ALA A 82 9.033 1.076 -2.955 1.00 0.00 O ATOM 1210 CB ALA A 82 5.993 1.860 -2.059 1.00 0.00 C ATOM 0 H ALA A 82 6.078 4.224 -2.621 1.00 0.00 H new ATOM 0 HA ALA A 82 7.863 2.546 -1.281 1.00 0.00 H new ATOM 0 HB1 ALA A 82 6.182 0.814 -1.820 1.00 0.00 H new ATOM 0 HB2 ALA A 82 5.421 2.319 -1.252 1.00 0.00 H new ATOM 0 HB3 ALA A 82 5.426 1.923 -2.988 1.00 0.00 H new ATOM 1216 N ALA A 83 8.032 2.296 -4.548 1.00 0.00 N ATOM 1217 CA ALA A 83 8.902 1.815 -5.608 1.00 0.00 C ATOM 1218 C ALA A 83 10.372 2.140 -5.313 1.00 0.00 C ATOM 1219 O ALA A 83 11.245 1.304 -5.540 1.00 0.00 O ATOM 1220 CB ALA A 83 8.475 2.424 -6.942 1.00 0.00 C ATOM 0 H ALA A 83 7.308 2.943 -4.861 1.00 0.00 H new ATOM 0 HA ALA A 83 8.810 0.730 -5.664 1.00 0.00 H new ATOM 0 HB1 ALA A 83 9.130 2.061 -7.734 1.00 0.00 H new ATOM 0 HB2 ALA A 83 7.447 2.136 -7.161 1.00 0.00 H new ATOM 0 HB3 ALA A 83 8.543 3.510 -6.884 1.00 0.00 H new ATOM 1226 N ARG A 84 10.664 3.346 -4.822 1.00 0.00 N ATOM 1227 CA ARG A 84 12.020 3.803 -4.504 1.00 0.00 C ATOM 1228 C ARG A 84 12.529 3.103 -3.243 1.00 0.00 C ATOM 1229 O ARG A 84 13.649 2.590 -3.228 1.00 0.00 O ATOM 1230 CB ARG A 84 12.042 5.338 -4.384 1.00 0.00 C ATOM 1231 CG ARG A 84 11.347 5.991 -5.597 1.00 0.00 C ATOM 1232 CD ARG A 84 11.850 7.396 -5.914 1.00 0.00 C ATOM 1233 NE ARG A 84 11.944 7.652 -7.360 1.00 0.00 N ATOM 1234 CZ ARG A 84 12.654 8.635 -7.926 1.00 0.00 C ATOM 1235 NH1 ARG A 84 13.402 9.445 -7.178 1.00 0.00 N ATOM 1236 NH2 ARG A 84 12.635 8.783 -9.245 1.00 0.00 N ATOM 0 H ARG A 84 9.949 4.048 -4.630 1.00 0.00 H new ATOM 0 HA ARG A 84 12.701 3.535 -5.312 1.00 0.00 H new ATOM 0 HB2 ARG A 84 11.542 5.643 -3.465 1.00 0.00 H new ATOM 0 HB3 ARG A 84 13.072 5.688 -4.317 1.00 0.00 H new ATOM 0 HG2 ARG A 84 11.493 5.357 -6.472 1.00 0.00 H new ATOM 0 HG3 ARG A 84 10.274 6.033 -5.409 1.00 0.00 H new ATOM 0 HD2 ARG A 84 11.180 8.128 -5.462 1.00 0.00 H new ATOM 0 HD3 ARG A 84 12.830 7.538 -5.459 1.00 0.00 H new ATOM 0 HE ARG A 84 11.426 7.030 -7.981 1.00 0.00 H new ATOM 0 HH11 ARG A 84 13.436 9.318 -6.167 1.00 0.00 H new ATOM 0 HH12 ARG A 84 13.940 10.192 -7.617 1.00 0.00 H new ATOM 0 HH21 ARG A 84 12.081 8.149 -9.821 1.00 0.00 H new ATOM 0 HH22 ARG A 84 13.174 9.530 -9.682 1.00 0.00 H new ATOM 1250 N ASN A 85 11.658 2.958 -2.238 1.00 0.00 N ATOM 1251 CA ASN A 85 11.866 2.140 -1.044 1.00 0.00 C ATOM 1252 C ASN A 85 12.192 0.686 -1.384 1.00 0.00 C ATOM 1253 O ASN A 85 12.811 -0.012 -0.577 1.00 0.00 O ATOM 1254 CB ASN A 85 10.587 2.173 -0.182 1.00 0.00 C ATOM 1255 CG ASN A 85 10.744 2.891 1.144 1.00 0.00 C ATOM 1256 OD1 ASN A 85 11.837 3.280 1.555 1.00 0.00 O ATOM 1257 ND2 ASN A 85 9.652 3.108 1.844 1.00 0.00 N ATOM 0 H ASN A 85 10.753 3.428 -2.237 1.00 0.00 H new ATOM 0 HA ASN A 85 12.717 2.556 -0.505 1.00 0.00 H new ATOM 0 HB2 ASN A 85 9.792 2.656 -0.751 1.00 0.00 H new ATOM 0 HB3 ASN A 85 10.266 1.149 0.009 1.00 0.00 H new ATOM 0 HD21 ASN A 85 9.707 3.602 2.735 1.00 0.00 H new ATOM 0 HD22 ASN A 85 8.750 2.782 1.496 1.00 0.00 H new ATOM 1264 N GLY A 86 11.774 0.231 -2.566 1.00 0.00 N ATOM 1265 CA GLY A 86 12.117 -1.046 -3.161 1.00 0.00 C ATOM 1266 C GLY A 86 11.102 -2.143 -2.848 1.00 0.00 C ATOM 1267 O GLY A 86 11.345 -3.301 -3.193 1.00 0.00 O ATOM 0 H GLY A 86 11.153 0.780 -3.161 1.00 0.00 H new ATOM 0 HA2 GLY A 86 12.194 -0.928 -4.242 1.00 0.00 H new ATOM 0 HA3 GLY A 86 13.099 -1.355 -2.803 1.00 0.00 H new ATOM 1271 N GLN A 87 9.980 -1.830 -2.196 1.00 0.00 N ATOM 1272 CA GLN A 87 9.023 -2.798 -1.671 1.00 0.00 C ATOM 1273 C GLN A 87 7.781 -2.057 -1.185 1.00 0.00 C ATOM 1274 O GLN A 87 7.847 -0.855 -0.926 1.00 0.00 O ATOM 1275 CB GLN A 87 9.667 -3.618 -0.534 1.00 0.00 C ATOM 1276 CG GLN A 87 10.254 -2.767 0.608 1.00 0.00 C ATOM 1277 CD GLN A 87 11.388 -3.488 1.329 1.00 0.00 C ATOM 1278 OE1 GLN A 87 12.448 -3.726 0.751 1.00 0.00 O ATOM 1279 NE2 GLN A 87 11.200 -3.867 2.578 1.00 0.00 N ATOM 0 H GLN A 87 9.707 -0.864 -2.015 1.00 0.00 H new ATOM 0 HA GLN A 87 8.730 -3.495 -2.456 1.00 0.00 H new ATOM 0 HB2 GLN A 87 8.918 -4.293 -0.120 1.00 0.00 H new ATOM 0 HB3 GLN A 87 10.459 -4.238 -0.953 1.00 0.00 H new ATOM 0 HG2 GLN A 87 10.622 -1.823 0.205 1.00 0.00 H new ATOM 0 HG3 GLN A 87 9.467 -2.524 1.321 1.00 0.00 H new ATOM 0 HE21 GLN A 87 10.317 -3.663 3.045 1.00 0.00 H new ATOM 0 HE22 GLN A 87 11.938 -4.364 3.077 1.00 0.00 H new ATOM 1288 N VAL A 88 6.663 -2.764 -1.042 1.00 0.00 N ATOM 1289 CA VAL A 88 5.439 -2.226 -0.483 1.00 0.00 C ATOM 1290 C VAL A 88 4.764 -3.294 0.370 1.00 0.00 C ATOM 1291 O VAL A 88 4.402 -4.379 -0.096 1.00 0.00 O ATOM 1292 CB VAL A 88 4.540 -1.648 -1.599 1.00 0.00 C ATOM 1293 CG1 VAL A 88 3.899 -2.688 -2.526 1.00 0.00 C ATOM 1294 CG2 VAL A 88 3.453 -0.752 -0.996 1.00 0.00 C ATOM 0 H VAL A 88 6.587 -3.743 -1.318 1.00 0.00 H new ATOM 0 HA VAL A 88 5.656 -1.386 0.177 1.00 0.00 H new ATOM 0 HB VAL A 88 5.214 -1.070 -2.231 1.00 0.00 H new ATOM 0 HG11 VAL A 88 3.288 -2.182 -3.274 1.00 0.00 H new ATOM 0 HG12 VAL A 88 4.680 -3.262 -3.024 1.00 0.00 H new ATOM 0 HG13 VAL A 88 3.272 -3.360 -1.940 1.00 0.00 H new ATOM 0 HG21 VAL A 88 2.827 -0.352 -1.794 1.00 0.00 H new ATOM 0 HG22 VAL A 88 2.838 -1.336 -0.311 1.00 0.00 H new ATOM 0 HG23 VAL A 88 3.919 0.070 -0.453 1.00 0.00 H new ATOM 1304 N ASN A 89 4.559 -2.964 1.637 1.00 0.00 N ATOM 1305 CA ASN A 89 3.623 -3.663 2.493 1.00 0.00 C ATOM 1306 C ASN A 89 2.237 -3.114 2.159 1.00 0.00 C ATOM 1307 O ASN A 89 2.045 -1.898 2.094 1.00 0.00 O ATOM 1308 CB ASN A 89 3.986 -3.387 3.959 1.00 0.00 C ATOM 1309 CG ASN A 89 4.960 -4.399 4.549 1.00 0.00 C ATOM 1310 OD1 ASN A 89 5.130 -5.505 4.042 1.00 0.00 O ATOM 1311 ND2 ASN A 89 5.613 -4.055 5.641 1.00 0.00 N ATOM 0 H ASN A 89 5.044 -2.196 2.100 1.00 0.00 H new ATOM 0 HA ASN A 89 3.649 -4.742 2.340 1.00 0.00 H new ATOM 0 HB2 ASN A 89 4.421 -2.390 4.035 1.00 0.00 H new ATOM 0 HB3 ASN A 89 3.074 -3.383 4.556 1.00 0.00 H new ATOM 0 HD21 ASN A 89 6.266 -4.709 6.072 1.00 0.00 H new ATOM 0 HD22 ASN A 89 5.465 -3.134 6.055 1.00 0.00 H new ATOM 1318 N LEU A 90 1.260 -3.993 1.960 1.00 0.00 N ATOM 1319 CA LEU A 90 -0.130 -3.702 1.626 1.00 0.00 C ATOM 1320 C LEU A 90 -0.940 -4.467 2.657 1.00 0.00 C ATOM 1321 O LEU A 90 -0.965 -5.696 2.619 1.00 0.00 O ATOM 1322 CB LEU A 90 -0.491 -4.189 0.206 1.00 0.00 C ATOM 1323 CG LEU A 90 0.337 -3.572 -0.923 1.00 0.00 C ATOM 1324 CD1 LEU A 90 0.142 -4.384 -2.204 1.00 0.00 C ATOM 1325 CD2 LEU A 90 -0.035 -2.108 -1.144 1.00 0.00 C ATOM 0 H LEU A 90 1.430 -4.996 2.033 1.00 0.00 H new ATOM 0 HA LEU A 90 -0.325 -2.630 1.638 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -0.375 -5.272 0.170 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -1.544 -3.975 0.022 1.00 0.00 H new ATOM 0 HG LEU A 90 1.389 -3.601 -0.641 1.00 0.00 H new ATOM 0 HD11 LEU A 90 0.732 -3.943 -3.007 1.00 0.00 H new ATOM 0 HD12 LEU A 90 0.466 -5.411 -2.037 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -0.912 -4.377 -2.482 1.00 0.00 H new ATOM 0 HD21 LEU A 90 0.570 -1.697 -1.952 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -1.090 -2.037 -1.408 1.00 0.00 H new ATOM 0 HD23 LEU A 90 0.149 -1.544 -0.230 1.00 0.00 H new ATOM 1337 N THR A 91 -1.518 -3.767 3.623 1.00 0.00 N ATOM 1338 CA THR A 91 -2.422 -4.387 4.571 1.00 0.00 C ATOM 1339 C THR A 91 -3.818 -4.161 4.015 1.00 0.00 C ATOM 1340 O THR A 91 -4.274 -3.015 3.953 1.00 0.00 O ATOM 1341 CB THR A 91 -2.204 -3.807 5.972 1.00 0.00 C ATOM 1342 OG1 THR A 91 -0.827 -3.860 6.324 1.00 0.00 O ATOM 1343 CG2 THR A 91 -3.013 -4.544 7.038 1.00 0.00 C ATOM 0 H THR A 91 -1.374 -2.768 3.768 1.00 0.00 H new ATOM 0 HA THR A 91 -2.251 -5.457 4.689 1.00 0.00 H new ATOM 0 HB THR A 91 -2.545 -2.772 5.937 1.00 0.00 H new ATOM 0 HG1 THR A 91 -0.704 -3.484 7.221 1.00 0.00 H new ATOM 0 HG21 THR A 91 -2.824 -4.095 8.013 1.00 0.00 H new ATOM 0 HG22 THR A 91 -4.075 -4.470 6.804 1.00 0.00 H new ATOM 0 HG23 THR A 91 -2.718 -5.593 7.058 1.00 0.00 H new ATOM 1351 N VAL A 92 -4.466 -5.238 3.583 1.00 0.00 N ATOM 1352 CA VAL A 92 -5.872 -5.247 3.212 1.00 0.00 C ATOM 1353 C VAL A 92 -6.660 -5.812 4.403 1.00 0.00 C ATOM 1354 O VAL A 92 -6.071 -6.280 5.379 1.00 0.00 O ATOM 1355 CB VAL A 92 -6.088 -6.021 1.889 1.00 0.00 C ATOM 1356 CG1 VAL A 92 -5.258 -5.479 0.719 1.00 0.00 C ATOM 1357 CG2 VAL A 92 -5.828 -7.527 1.997 1.00 0.00 C ATOM 0 H VAL A 92 -4.016 -6.148 3.480 1.00 0.00 H new ATOM 0 HA VAL A 92 -6.239 -4.241 3.007 1.00 0.00 H new ATOM 0 HB VAL A 92 -7.147 -5.860 1.687 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -5.460 -6.069 -0.175 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -5.525 -4.438 0.535 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -4.198 -5.543 0.964 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -6.001 -7.996 1.029 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -4.796 -7.697 2.303 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -6.502 -7.960 2.736 1.00 0.00 H new ATOM 1367 N ARG A 93 -7.990 -5.771 4.380 1.00 0.00 N ATOM 1368 CA ARG A 93 -8.824 -6.394 5.403 1.00 0.00 C ATOM 1369 C ARG A 93 -10.152 -6.815 4.808 1.00 0.00 C ATOM 1370 O ARG A 93 -10.558 -6.280 3.773 1.00 0.00 O ATOM 1371 CB ARG A 93 -9.007 -5.434 6.597 1.00 0.00 C ATOM 1372 CG ARG A 93 -9.923 -4.232 6.347 1.00 0.00 C ATOM 1373 CD ARG A 93 -9.998 -3.239 7.521 1.00 0.00 C ATOM 1374 NE ARG A 93 -10.280 -1.856 7.091 1.00 0.00 N ATOM 1375 CZ ARG A 93 -11.326 -1.407 6.385 1.00 0.00 C ATOM 1376 NH1 ARG A 93 -12.347 -2.193 6.066 1.00 0.00 N ATOM 1377 NH2 ARG A 93 -11.335 -0.150 5.970 1.00 0.00 N ATOM 0 H ARG A 93 -8.522 -5.302 3.647 1.00 0.00 H new ATOM 0 HA ARG A 93 -8.331 -7.292 5.775 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -9.404 -6.002 7.439 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -8.026 -5.064 6.896 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -9.575 -3.703 5.460 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -10.927 -4.594 6.128 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -10.774 -3.563 8.214 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -9.055 -3.258 8.067 1.00 0.00 H new ATOM 0 HE ARG A 93 -9.593 -1.154 7.366 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -12.350 -3.170 6.360 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -13.129 -1.820 5.527 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -10.551 0.465 6.189 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -12.126 0.204 5.432 1.00 0.00 H new ATOM 1391 N ARG A 94 -10.865 -7.719 5.482 1.00 0.00 N ATOM 1392 CA ARG A 94 -12.271 -7.979 5.192 1.00 0.00 C ATOM 1393 C ARG A 94 -13.016 -8.407 6.444 1.00 0.00 C ATOM 1394 O ARG A 94 -12.525 -9.194 7.256 1.00 0.00 O ATOM 1395 CB ARG A 94 -12.439 -8.977 4.033 1.00 0.00 C ATOM 1396 CG ARG A 94 -12.756 -8.259 2.697 1.00 0.00 C ATOM 1397 CD ARG A 94 -11.839 -8.684 1.551 1.00 0.00 C ATOM 1398 NE ARG A 94 -11.896 -10.131 1.317 1.00 0.00 N ATOM 1399 CZ ARG A 94 -12.628 -10.773 0.404 1.00 0.00 C ATOM 1400 NH1 ARG A 94 -13.265 -10.119 -0.562 1.00 0.00 N ATOM 1401 NH2 ARG A 94 -12.751 -12.090 0.494 1.00 0.00 N ATOM 0 H ARG A 94 -10.485 -8.287 6.239 1.00 0.00 H new ATOM 0 HA ARG A 94 -12.723 -7.045 4.857 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -11.527 -9.563 3.923 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -13.241 -9.676 4.269 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -13.790 -8.462 2.420 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -12.670 -7.182 2.842 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -12.126 -8.157 0.641 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -10.814 -8.392 1.778 1.00 0.00 H new ATOM 0 HE ARG A 94 -11.311 -10.711 1.919 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -13.201 -9.103 -0.618 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -13.818 -10.634 -1.247 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -12.290 -12.595 1.251 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -13.306 -12.599 -0.194 1.00 0.00 H new ATOM 1415 N LYS A 95 -14.206 -7.842 6.599 1.00 0.00 N ATOM 1416 CA LYS A 95 -15.185 -8.071 7.641 1.00 0.00 C ATOM 1417 C LYS A 95 -15.791 -9.463 7.552 1.00 0.00 C ATOM 1418 O LYS A 95 -16.289 -9.893 6.505 1.00 0.00 O ATOM 1419 CB LYS A 95 -16.185 -6.919 7.543 1.00 0.00 C ATOM 1420 CG LYS A 95 -16.862 -6.562 8.860 1.00 0.00 C ATOM 1421 CD LYS A 95 -18.019 -7.498 9.211 1.00 0.00 C ATOM 1422 CE LYS A 95 -18.952 -6.783 10.175 1.00 0.00 C ATOM 1423 NZ LYS A 95 -19.831 -5.835 9.471 1.00 0.00 N ATOM 0 H LYS A 95 -14.537 -7.146 5.931 1.00 0.00 H new ATOM 0 HA LYS A 95 -14.740 -8.067 8.636 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -15.669 -6.037 7.162 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -16.951 -7.180 6.813 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -16.123 -6.590 9.661 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -17.234 -5.539 8.805 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -18.558 -7.787 8.309 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -17.639 -8.414 9.663 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -19.558 -7.516 10.708 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -18.365 -6.250 10.923 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -20.622 -5.569 10.091 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -19.290 -4.984 9.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -20.202 -6.281 8.608 1.00 0.00 H new