USER MOD reduce.3.24.130724 H: found=0, std=0, add=565, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 568 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 MET CE :methyl -129:sc=-0.00178 (180deg=-2.49!) USER MOD Single : A 17 LYS NZ :NH3+ -108:sc= 0.123 (180deg=0) USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=-0.02) USER MOD Single : A 47 LYS NZ :NH3+ 157:sc= 0 (180deg=-0.782) USER MOD Single : A 52 SER OG : rot -78:sc= 2.03 USER MOD Single : A 62 ASN : amide:sc= -1.13 K(o=-1.1,f=-6!) USER MOD Single : A 64 HIS : no HD1:sc= -0.967 X(o=-0.97,f=-1.2) USER MOD Single : A 66 MET CE :methyl 162:sc= -0.124 (180deg=-0.375) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 73:sc= 0.956 USER MOD Single : A 76 SER OG : rot -36:sc= 0.749 USER MOD Single : A 77 THR OG1 : rot 83:sc= 0.42 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 HIS : no HD1:sc= -0.0547 X(o=-0.055,f=-0.23) USER MOD Single : A 85 HIS : no HD1:sc= -0.217 X(o=-0.22,f=-0.49) USER MOD Single : A 86 THR OG1 : rot 15:sc= 0.181 USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 THR OG1 : rot -92:sc= -1.5 USER MOD Single : A 90 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0617) USER MOD ----------------------------------------------------------------- ATOM 83 N MET A 9 -11.998 10.974 -8.898 1.00 0.00 N ATOM 84 CA MET A 9 -11.266 11.218 -7.660 1.00 0.00 C ATOM 85 C MET A 9 -10.012 10.352 -7.590 1.00 0.00 C ATOM 86 O MET A 9 -10.068 9.144 -7.820 1.00 0.00 O ATOM 87 CB MET A 9 -12.160 10.941 -6.450 1.00 0.00 C ATOM 88 CG MET A 9 -13.379 11.847 -6.375 1.00 0.00 C ATOM 89 SD MET A 9 -14.127 11.869 -4.735 1.00 0.00 S ATOM 90 CE MET A 9 -14.733 10.188 -4.616 1.00 0.00 C ATOM 0 HA MET A 9 -10.964 12.265 -7.647 1.00 0.00 H new ATOM 0 HB2 MET A 9 -12.491 9.903 -6.483 1.00 0.00 H new ATOM 0 HB3 MET A 9 -11.572 11.060 -5.540 1.00 0.00 H new ATOM 0 HG2 MET A 9 -13.091 12.861 -6.652 1.00 0.00 H new ATOM 0 HG3 MET A 9 -14.119 11.515 -7.103 1.00 0.00 H new ATOM 0 HE1 MET A 9 -15.782 10.200 -4.321 1.00 0.00 H new ATOM 0 HE2 MET A 9 -14.633 9.696 -5.583 1.00 0.00 H new ATOM 0 HE3 MET A 9 -14.153 9.644 -3.871 1.00 0.00 H new ATOM 100 N ILE A 10 -8.884 10.977 -7.272 1.00 0.00 N ATOM 101 CA ILE A 10 -7.617 10.262 -7.172 1.00 0.00 C ATOM 102 C ILE A 10 -7.798 8.921 -6.468 1.00 0.00 C ATOM 103 O ILE A 10 -7.263 7.902 -6.905 1.00 0.00 O ATOM 104 CB ILE A 10 -6.562 11.089 -6.414 1.00 0.00 C ATOM 105 CG1 ILE A 10 -6.037 12.221 -7.299 1.00 0.00 C ATOM 106 CG2 ILE A 10 -5.420 10.197 -5.953 1.00 0.00 C ATOM 107 CD1 ILE A 10 -6.991 13.389 -7.416 1.00 0.00 C ATOM 0 H ILE A 10 -8.821 11.977 -7.079 1.00 0.00 H new ATOM 0 HA ILE A 10 -7.269 10.091 -8.191 1.00 0.00 H new ATOM 0 HB ILE A 10 -7.031 11.529 -5.534 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -5.088 12.576 -6.896 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -5.833 11.828 -8.295 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -4.683 10.797 -5.419 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -5.807 9.423 -5.290 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -4.950 9.731 -6.819 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -6.553 14.153 -8.058 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -7.932 13.048 -7.847 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -7.176 13.808 -6.427 1.00 0.00 H new ATOM 119 N ARG A 11 -8.555 8.930 -5.376 1.00 0.00 N ATOM 120 CA ARG A 11 -8.807 7.714 -4.611 1.00 0.00 C ATOM 121 C ARG A 11 -9.269 6.583 -5.525 1.00 0.00 C ATOM 122 O ARG A 11 -8.877 5.430 -5.348 1.00 0.00 O ATOM 123 CB ARG A 11 -9.859 7.974 -3.532 1.00 0.00 C ATOM 124 CG ARG A 11 -11.104 8.675 -4.050 1.00 0.00 C ATOM 125 CD ARG A 11 -12.169 7.677 -4.477 1.00 0.00 C ATOM 126 NE ARG A 11 -12.995 7.244 -3.354 1.00 0.00 N ATOM 127 CZ ARG A 11 -13.691 6.113 -3.346 1.00 0.00 C ATOM 128 NH1 ARG A 11 -13.660 5.304 -4.396 1.00 0.00 N ATOM 129 NH2 ARG A 11 -14.420 5.788 -2.286 1.00 0.00 N ATOM 0 H ARG A 11 -9.005 9.765 -5.001 1.00 0.00 H new ATOM 0 HA ARG A 11 -7.874 7.415 -4.134 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -10.148 7.024 -3.082 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -9.414 8.579 -2.742 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -11.505 9.327 -3.274 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -10.840 9.311 -4.895 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -12.803 8.128 -5.241 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -11.691 6.809 -4.931 1.00 0.00 H new ATOM 0 HE ARG A 11 -13.040 7.843 -2.530 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -13.101 5.550 -5.213 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -14.196 4.436 -4.387 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -14.446 6.407 -1.476 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -14.954 4.919 -2.281 1.00 0.00 H new ATOM 143 N GLU A 12 -10.104 6.922 -6.502 1.00 0.00 N ATOM 144 CA GLU A 12 -10.620 5.934 -7.442 1.00 0.00 C ATOM 145 C GLU A 12 -9.486 5.305 -8.247 1.00 0.00 C ATOM 146 O GLU A 12 -9.219 4.109 -8.132 1.00 0.00 O ATOM 147 CB GLU A 12 -11.635 6.579 -8.388 1.00 0.00 C ATOM 148 CG GLU A 12 -12.989 6.833 -7.747 1.00 0.00 C ATOM 149 CD GLU A 12 -14.121 6.841 -8.756 1.00 0.00 C ATOM 150 OE1 GLU A 12 -14.282 5.832 -9.474 1.00 0.00 O ATOM 151 OE2 GLU A 12 -14.844 7.857 -8.828 1.00 0.00 O ATOM 0 H GLU A 12 -10.437 7.872 -6.663 1.00 0.00 H new ATOM 0 HA GLU A 12 -11.115 5.149 -6.870 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -11.231 7.524 -8.751 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -11.769 5.935 -9.257 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -13.181 6.066 -6.997 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -12.966 7.790 -7.225 1.00 0.00 H new ATOM 158 N ARG A 13 -8.824 6.120 -9.062 1.00 0.00 N ATOM 159 CA ARG A 13 -7.721 5.644 -9.888 1.00 0.00 C ATOM 160 C ARG A 13 -6.730 4.834 -9.057 1.00 0.00 C ATOM 161 O ARG A 13 -6.257 3.783 -9.489 1.00 0.00 O ATOM 162 CB ARG A 13 -7.005 6.823 -10.548 1.00 0.00 C ATOM 163 CG ARG A 13 -7.948 7.822 -11.198 1.00 0.00 C ATOM 164 CD ARG A 13 -8.234 8.998 -10.278 1.00 0.00 C ATOM 165 NE ARG A 13 -7.310 10.107 -10.503 1.00 0.00 N ATOM 166 CZ ARG A 13 -7.487 11.034 -11.438 1.00 0.00 C ATOM 167 NH1 ARG A 13 -8.549 10.986 -12.230 1.00 0.00 N ATOM 168 NH2 ARG A 13 -6.601 12.011 -11.581 1.00 0.00 N ATOM 0 H ARG A 13 -9.032 7.113 -9.168 1.00 0.00 H new ATOM 0 HA ARG A 13 -8.133 4.998 -10.663 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -6.404 7.338 -9.798 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -6.316 6.443 -11.302 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -7.511 8.184 -12.128 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -8.883 7.326 -11.457 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -9.257 9.341 -10.435 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -8.163 8.672 -9.240 1.00 0.00 H new ATOM 0 HE ARG A 13 -6.483 10.173 -9.909 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -9.232 10.236 -12.122 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -8.683 11.699 -12.947 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -5.783 12.051 -10.973 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -6.738 12.722 -12.299 1.00 0.00 H new ATOM 182 N ILE A 14 -6.422 5.331 -7.864 1.00 0.00 N ATOM 183 CA ILE A 14 -5.488 4.653 -6.973 1.00 0.00 C ATOM 184 C ILE A 14 -5.889 3.197 -6.761 1.00 0.00 C ATOM 185 O ILE A 14 -5.103 2.284 -7.011 1.00 0.00 O ATOM 186 CB ILE A 14 -5.404 5.356 -5.605 1.00 0.00 C ATOM 187 CG1 ILE A 14 -4.706 6.710 -5.745 1.00 0.00 C ATOM 188 CG2 ILE A 14 -4.672 4.477 -4.602 1.00 0.00 C ATOM 189 CD1 ILE A 14 -4.792 7.565 -4.500 1.00 0.00 C ATOM 0 H ILE A 14 -6.805 6.200 -7.492 1.00 0.00 H new ATOM 0 HA ILE A 14 -4.510 4.691 -7.452 1.00 0.00 H new ATOM 0 HB ILE A 14 -6.416 5.527 -5.238 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -3.657 6.545 -5.991 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -5.148 7.253 -6.580 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -4.621 4.987 -3.640 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -5.208 3.535 -4.485 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -3.662 4.278 -4.961 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -4.276 8.510 -4.671 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -5.838 7.760 -4.264 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -4.324 7.042 -3.666 1.00 0.00 H new ATOM 201 N GLU A 15 -7.118 2.989 -6.298 1.00 0.00 N ATOM 202 CA GLU A 15 -7.624 1.644 -6.053 1.00 0.00 C ATOM 203 C GLU A 15 -7.758 0.867 -7.360 1.00 0.00 C ATOM 204 O GLU A 15 -7.229 -0.236 -7.495 1.00 0.00 O ATOM 205 CB GLU A 15 -8.977 1.705 -5.342 1.00 0.00 C ATOM 206 CG GLU A 15 -8.867 1.735 -3.827 1.00 0.00 C ATOM 207 CD GLU A 15 -10.221 1.755 -3.144 1.00 0.00 C ATOM 208 OE1 GLU A 15 -10.961 2.745 -3.320 1.00 0.00 O ATOM 209 OE2 GLU A 15 -10.540 0.779 -2.433 1.00 0.00 O ATOM 0 H GLU A 15 -7.781 3.735 -6.085 1.00 0.00 H new ATOM 0 HA GLU A 15 -6.909 1.126 -5.414 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -9.514 2.592 -5.677 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -9.573 0.841 -5.638 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -8.307 0.863 -3.490 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -8.299 2.615 -3.525 1.00 0.00 H new ATOM 216 N GLU A 16 -8.471 1.451 -8.318 1.00 0.00 N ATOM 217 CA GLU A 16 -8.676 0.813 -9.613 1.00 0.00 C ATOM 218 C GLU A 16 -7.448 0.006 -10.023 1.00 0.00 C ATOM 219 O GLU A 16 -7.564 -1.055 -10.637 1.00 0.00 O ATOM 220 CB GLU A 16 -8.989 1.864 -10.681 1.00 0.00 C ATOM 221 CG GLU A 16 -10.468 2.191 -10.798 1.00 0.00 C ATOM 222 CD GLU A 16 -10.839 2.734 -12.164 1.00 0.00 C ATOM 223 OE1 GLU A 16 -10.728 3.961 -12.366 1.00 0.00 O ATOM 224 OE2 GLU A 16 -11.239 1.930 -13.032 1.00 0.00 O ATOM 0 H GLU A 16 -8.916 2.364 -8.222 1.00 0.00 H new ATOM 0 HA GLU A 16 -9.523 0.133 -9.523 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -8.441 2.778 -10.451 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -8.627 1.509 -11.646 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -11.052 1.293 -10.597 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -10.736 2.922 -10.035 1.00 0.00 H new ATOM 231 N LYS A 17 -6.270 0.516 -9.679 1.00 0.00 N ATOM 232 CA LYS A 17 -5.019 -0.156 -10.009 1.00 0.00 C ATOM 233 C LYS A 17 -4.725 -1.278 -9.017 1.00 0.00 C ATOM 234 O LYS A 17 -4.718 -2.455 -9.380 1.00 0.00 O ATOM 235 CB LYS A 17 -3.864 0.847 -10.017 1.00 0.00 C ATOM 236 CG LYS A 17 -3.641 1.508 -11.366 1.00 0.00 C ATOM 237 CD LYS A 17 -2.222 2.034 -11.502 1.00 0.00 C ATOM 238 CE LYS A 17 -1.956 2.565 -12.902 1.00 0.00 C ATOM 239 NZ LYS A 17 -0.707 3.372 -12.962 1.00 0.00 N ATOM 0 H LYS A 17 -6.156 1.393 -9.171 1.00 0.00 H new ATOM 0 HA LYS A 17 -5.121 -0.591 -11.003 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -4.059 1.618 -9.272 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -2.949 0.337 -9.716 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -3.842 0.790 -12.161 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -4.348 2.328 -11.491 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -2.056 2.827 -10.773 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -1.514 1.237 -11.273 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -1.882 1.730 -13.599 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -2.799 3.176 -13.225 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -0.948 4.378 -13.072 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -0.166 3.240 -12.084 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -0.133 3.063 -13.772 1.00 0.00 H new ATOM 253 N LEU A 18 -4.485 -0.906 -7.765 1.00 0.00 N ATOM 254 CA LEU A 18 -4.193 -1.881 -6.720 1.00 0.00 C ATOM 255 C LEU A 18 -4.996 -3.161 -6.929 1.00 0.00 C ATOM 256 O LEU A 18 -4.477 -4.265 -6.764 1.00 0.00 O ATOM 257 CB LEU A 18 -4.503 -1.290 -5.343 1.00 0.00 C ATOM 258 CG LEU A 18 -3.848 0.055 -5.027 1.00 0.00 C ATOM 259 CD1 LEU A 18 -4.416 0.636 -3.741 1.00 0.00 C ATOM 260 CD2 LEU A 18 -2.338 -0.098 -4.924 1.00 0.00 C ATOM 0 H LEU A 18 -4.487 0.064 -7.448 1.00 0.00 H new ATOM 0 HA LEU A 18 -3.132 -2.127 -6.773 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -5.583 -1.175 -5.254 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -4.195 -2.009 -4.584 1.00 0.00 H new ATOM 0 HG LEU A 18 -4.068 0.745 -5.842 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -3.938 1.593 -3.532 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -5.490 0.783 -3.852 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -4.227 -0.052 -2.917 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -1.889 0.869 -4.699 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -2.097 -0.804 -4.129 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -1.945 -0.469 -5.870 1.00 0.00 H new ATOM 272 N ARG A 19 -6.264 -3.004 -7.296 1.00 0.00 N ATOM 273 CA ARG A 19 -7.138 -4.148 -7.529 1.00 0.00 C ATOM 274 C ARG A 19 -6.412 -5.235 -8.316 1.00 0.00 C ATOM 275 O ARG A 19 -6.210 -6.343 -7.820 1.00 0.00 O ATOM 276 CB ARG A 19 -8.395 -3.710 -8.283 1.00 0.00 C ATOM 277 CG ARG A 19 -9.422 -3.015 -7.404 1.00 0.00 C ATOM 278 CD ARG A 19 -10.585 -2.480 -8.223 1.00 0.00 C ATOM 279 NE ARG A 19 -11.595 -3.504 -8.476 1.00 0.00 N ATOM 280 CZ ARG A 19 -12.831 -3.234 -8.880 1.00 0.00 C ATOM 281 NH1 ARG A 19 -13.208 -1.979 -9.078 1.00 0.00 N ATOM 282 NH2 ARG A 19 -13.692 -4.222 -9.089 1.00 0.00 N ATOM 0 H ARG A 19 -6.709 -2.097 -7.438 1.00 0.00 H new ATOM 0 HA ARG A 19 -7.427 -4.557 -6.561 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -8.108 -3.038 -9.092 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -8.855 -4.584 -8.743 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -9.794 -3.714 -6.655 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -8.947 -2.195 -6.866 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -11.043 -1.642 -7.698 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -10.213 -2.096 -9.173 1.00 0.00 H new ATOM 0 HE ARG A 19 -11.337 -4.481 -8.335 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -12.548 -1.217 -8.920 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -14.158 -1.775 -9.388 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -13.405 -5.189 -8.939 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -14.641 -4.014 -9.399 1.00 0.00 H new ATOM 296 N ALA A 20 -6.024 -4.910 -9.545 1.00 0.00 N ATOM 297 CA ALA A 20 -5.320 -5.858 -10.399 1.00 0.00 C ATOM 298 C ALA A 20 -3.818 -5.825 -10.136 1.00 0.00 C ATOM 299 O ALA A 20 -3.088 -6.728 -10.541 1.00 0.00 O ATOM 300 CB ALA A 20 -5.608 -5.563 -11.864 1.00 0.00 C ATOM 0 H ALA A 20 -6.185 -3.997 -9.971 1.00 0.00 H new ATOM 0 HA ALA A 20 -5.681 -6.859 -10.163 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -5.076 -6.279 -12.491 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -6.679 -5.646 -12.048 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -5.276 -4.553 -12.104 1.00 0.00 H new ATOM 306 N ALA A 21 -3.365 -4.777 -9.455 1.00 0.00 N ATOM 307 CA ALA A 21 -1.950 -4.628 -9.137 1.00 0.00 C ATOM 308 C ALA A 21 -1.489 -5.709 -8.166 1.00 0.00 C ATOM 309 O ALA A 21 -0.429 -6.309 -8.347 1.00 0.00 O ATOM 310 CB ALA A 21 -1.683 -3.246 -8.558 1.00 0.00 C ATOM 0 H ALA A 21 -3.957 -4.020 -9.113 1.00 0.00 H new ATOM 0 HA ALA A 21 -1.381 -4.740 -10.060 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -0.623 -3.148 -8.325 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -1.966 -2.486 -9.286 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -2.268 -3.113 -7.648 1.00 0.00 H new ATOM 316 N PHE A 22 -2.290 -5.952 -7.133 1.00 0.00 N ATOM 317 CA PHE A 22 -1.962 -6.960 -6.132 1.00 0.00 C ATOM 318 C PHE A 22 -3.114 -7.945 -5.956 1.00 0.00 C ATOM 319 O PHE A 22 -2.896 -9.145 -5.788 1.00 0.00 O ATOM 320 CB PHE A 22 -1.637 -6.293 -4.794 1.00 0.00 C ATOM 321 CG PHE A 22 -0.419 -5.416 -4.841 1.00 0.00 C ATOM 322 CD1 PHE A 22 0.847 -5.955 -4.678 1.00 0.00 C ATOM 323 CD2 PHE A 22 -0.539 -4.051 -5.049 1.00 0.00 C ATOM 324 CE1 PHE A 22 1.970 -5.151 -4.722 1.00 0.00 C ATOM 325 CE2 PHE A 22 0.580 -3.242 -5.094 1.00 0.00 C ATOM 326 CZ PHE A 22 1.836 -3.792 -4.929 1.00 0.00 C ATOM 0 H PHE A 22 -3.171 -5.464 -6.968 1.00 0.00 H new ATOM 0 HA PHE A 22 -1.087 -7.510 -6.478 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -2.492 -5.696 -4.478 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -1.490 -7.065 -4.039 1.00 0.00 H new ATOM 0 HD1 PHE A 22 0.957 -7.017 -4.515 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -1.519 -3.615 -5.177 1.00 0.00 H new ATOM 0 HE1 PHE A 22 2.951 -5.585 -4.595 1.00 0.00 H new ATOM 0 HE2 PHE A 22 0.473 -2.180 -5.258 1.00 0.00 H new ATOM 0 HZ PHE A 22 2.712 -3.161 -4.962 1.00 0.00 H new ATOM 336 N GLN A 23 -4.338 -7.429 -5.994 1.00 0.00 N ATOM 337 CA GLN A 23 -5.523 -8.263 -5.837 1.00 0.00 C ATOM 338 C GLN A 23 -5.648 -8.769 -4.403 1.00 0.00 C ATOM 339 O GLN A 23 -5.795 -9.965 -4.152 1.00 0.00 O ATOM 340 CB GLN A 23 -5.472 -9.447 -6.805 1.00 0.00 C ATOM 341 CG GLN A 23 -5.027 -9.066 -8.208 1.00 0.00 C ATOM 342 CD GLN A 23 -4.989 -10.254 -9.150 1.00 0.00 C ATOM 343 OE1 GLN A 23 -4.392 -11.286 -8.843 1.00 0.00 O ATOM 344 NE2 GLN A 23 -5.629 -10.114 -10.305 1.00 0.00 N ATOM 0 H GLN A 23 -4.535 -6.438 -6.132 1.00 0.00 H new ATOM 0 HA GLN A 23 -6.397 -7.653 -6.065 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -4.791 -10.201 -6.409 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -6.459 -9.905 -6.858 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -5.704 -8.311 -8.608 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -4.037 -8.613 -8.161 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -6.111 -9.241 -10.518 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -5.639 -10.880 -10.979 1.00 0.00 H new ATOM 353 N PRO A 24 -5.586 -7.837 -3.440 1.00 0.00 N ATOM 354 CA PRO A 24 -5.690 -8.165 -2.015 1.00 0.00 C ATOM 355 C PRO A 24 -7.093 -8.617 -1.624 1.00 0.00 C ATOM 356 O PRO A 24 -7.930 -8.891 -2.485 1.00 0.00 O ATOM 357 CB PRO A 24 -5.341 -6.846 -1.321 1.00 0.00 C ATOM 358 CG PRO A 24 -5.685 -5.792 -2.317 1.00 0.00 C ATOM 359 CD PRO A 24 -5.411 -6.393 -3.668 1.00 0.00 C ATOM 0 HA PRO A 24 -5.038 -8.994 -1.740 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -5.910 -6.721 -0.400 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -4.285 -6.807 -1.052 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -6.730 -5.496 -2.226 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -5.085 -4.896 -2.160 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -6.103 -6.018 -4.422 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -4.404 -6.160 -4.015 1.00 0.00 H new ATOM 367 N VAL A 25 -7.344 -8.692 -0.321 1.00 0.00 N ATOM 368 CA VAL A 25 -8.647 -9.110 0.183 1.00 0.00 C ATOM 369 C VAL A 25 -9.468 -7.910 0.643 1.00 0.00 C ATOM 370 O VAL A 25 -10.699 -7.943 0.623 1.00 0.00 O ATOM 371 CB VAL A 25 -8.505 -10.100 1.354 1.00 0.00 C ATOM 372 CG1 VAL A 25 -7.896 -11.409 0.876 1.00 0.00 C ATOM 373 CG2 VAL A 25 -7.669 -9.489 2.469 1.00 0.00 C ATOM 0 H VAL A 25 -6.663 -8.469 0.405 1.00 0.00 H new ATOM 0 HA VAL A 25 -9.161 -9.605 -0.641 1.00 0.00 H new ATOM 0 HB VAL A 25 -9.498 -10.313 1.750 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -7.803 -12.096 1.717 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -8.538 -11.852 0.115 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -6.910 -11.218 0.453 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -7.579 -10.202 3.289 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -6.677 -9.246 2.089 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -8.152 -8.581 2.830 1.00 0.00 H new ATOM 383 N PHE A 26 -8.780 -6.852 1.055 1.00 0.00 N ATOM 384 CA PHE A 26 -9.445 -5.640 1.521 1.00 0.00 C ATOM 385 C PHE A 26 -8.967 -4.422 0.737 1.00 0.00 C ATOM 386 O PHE A 26 -7.832 -4.382 0.260 1.00 0.00 O ATOM 387 CB PHE A 26 -9.188 -5.434 3.015 1.00 0.00 C ATOM 388 CG PHE A 26 -10.133 -4.459 3.657 1.00 0.00 C ATOM 389 CD1 PHE A 26 -11.394 -4.864 4.065 1.00 0.00 C ATOM 390 CD2 PHE A 26 -9.762 -3.139 3.851 1.00 0.00 C ATOM 391 CE1 PHE A 26 -12.267 -3.970 4.657 1.00 0.00 C ATOM 392 CE2 PHE A 26 -10.630 -2.241 4.443 1.00 0.00 C ATOM 393 CZ PHE A 26 -11.884 -2.656 4.845 1.00 0.00 C ATOM 0 H PHE A 26 -7.761 -6.808 1.076 1.00 0.00 H new ATOM 0 HA PHE A 26 -10.516 -5.757 1.357 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -9.267 -6.394 3.525 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -8.166 -5.083 3.155 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -11.698 -5.890 3.919 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -8.784 -2.808 3.536 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -13.247 -4.298 4.972 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -10.327 -1.215 4.591 1.00 0.00 H new ATOM 0 HZ PHE A 26 -12.564 -1.955 5.306 1.00 0.00 H new ATOM 403 N LEU A 27 -9.840 -3.429 0.608 1.00 0.00 N ATOM 404 CA LEU A 27 -9.508 -2.208 -0.118 1.00 0.00 C ATOM 405 C LEU A 27 -10.431 -1.064 0.290 1.00 0.00 C ATOM 406 O LEU A 27 -11.653 -1.179 0.202 1.00 0.00 O ATOM 407 CB LEU A 27 -9.608 -2.445 -1.626 1.00 0.00 C ATOM 408 CG LEU A 27 -8.673 -1.607 -2.500 1.00 0.00 C ATOM 409 CD1 LEU A 27 -7.239 -2.097 -2.369 1.00 0.00 C ATOM 410 CD2 LEU A 27 -9.123 -1.649 -3.953 1.00 0.00 C ATOM 0 H LEU A 27 -10.783 -3.445 0.997 1.00 0.00 H new ATOM 0 HA LEU A 27 -8.484 -1.932 0.134 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -9.409 -3.499 -1.822 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -10.635 -2.251 -1.937 1.00 0.00 H new ATOM 0 HG LEU A 27 -8.714 -0.573 -2.157 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -6.588 -1.489 -2.998 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -6.920 -2.015 -1.330 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -7.180 -3.138 -2.685 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -8.447 -1.048 -4.561 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -9.111 -2.679 -4.308 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -10.134 -1.250 -4.032 1.00 0.00 H new ATOM 422 N GLU A 28 -9.837 0.039 0.735 1.00 0.00 N ATOM 423 CA GLU A 28 -10.607 1.204 1.155 1.00 0.00 C ATOM 424 C GLU A 28 -9.724 2.447 1.215 1.00 0.00 C ATOM 425 O GLU A 28 -8.643 2.426 1.805 1.00 0.00 O ATOM 426 CB GLU A 28 -11.248 0.954 2.522 1.00 0.00 C ATOM 427 CG GLU A 28 -12.123 2.099 3.002 1.00 0.00 C ATOM 428 CD GLU A 28 -13.319 2.337 2.101 1.00 0.00 C ATOM 429 OE1 GLU A 28 -14.355 1.667 2.301 1.00 0.00 O ATOM 430 OE2 GLU A 28 -13.221 3.192 1.196 1.00 0.00 O ATOM 0 H GLU A 28 -8.826 0.150 0.814 1.00 0.00 H new ATOM 0 HA GLU A 28 -11.393 1.373 0.419 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -11.848 0.046 2.472 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -10.462 0.776 3.256 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -12.471 1.886 4.013 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -11.526 3.010 3.055 1.00 0.00 H new ATOM 437 N VAL A 29 -10.192 3.529 0.600 1.00 0.00 N ATOM 438 CA VAL A 29 -9.446 4.781 0.584 1.00 0.00 C ATOM 439 C VAL A 29 -10.155 5.854 1.403 1.00 0.00 C ATOM 440 O VAL A 29 -11.368 6.033 1.294 1.00 0.00 O ATOM 441 CB VAL A 29 -9.246 5.297 -0.854 1.00 0.00 C ATOM 442 CG1 VAL A 29 -8.309 6.495 -0.867 1.00 0.00 C ATOM 443 CG2 VAL A 29 -8.717 4.186 -1.749 1.00 0.00 C ATOM 0 H VAL A 29 -11.084 3.563 0.107 1.00 0.00 H new ATOM 0 HA VAL A 29 -8.472 4.574 1.027 1.00 0.00 H new ATOM 0 HB VAL A 29 -10.212 5.618 -1.244 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -8.180 6.845 -1.891 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -8.733 7.295 -0.261 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -7.341 6.204 -0.459 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -8.581 4.567 -2.761 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -7.761 3.832 -1.363 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -9.429 3.361 -1.765 1.00 0.00 H new ATOM 453 N VAL A 30 -9.390 6.567 2.223 1.00 0.00 N ATOM 454 CA VAL A 30 -9.944 7.624 3.060 1.00 0.00 C ATOM 455 C VAL A 30 -9.512 9.000 2.566 1.00 0.00 C ATOM 456 O VAL A 30 -8.427 9.477 2.896 1.00 0.00 O ATOM 457 CB VAL A 30 -9.513 7.461 4.530 1.00 0.00 C ATOM 458 CG1 VAL A 30 -9.886 8.695 5.337 1.00 0.00 C ATOM 459 CG2 VAL A 30 -10.137 6.211 5.132 1.00 0.00 C ATOM 0 H VAL A 30 -8.384 6.432 2.326 1.00 0.00 H new ATOM 0 HA VAL A 30 -11.029 7.542 2.996 1.00 0.00 H new ATOM 0 HB VAL A 30 -8.429 7.350 4.562 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -9.573 8.561 6.373 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -9.387 9.569 4.918 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -10.965 8.841 5.300 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -9.822 6.111 6.171 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -11.223 6.289 5.088 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -9.813 5.336 4.569 1.00 0.00 H new ATOM 469 N ASP A 31 -10.370 9.633 1.772 1.00 0.00 N ATOM 470 CA ASP A 31 -10.078 10.956 1.233 1.00 0.00 C ATOM 471 C ASP A 31 -10.563 12.048 2.180 1.00 0.00 C ATOM 472 O ASP A 31 -11.408 11.806 3.042 1.00 0.00 O ATOM 473 CB ASP A 31 -10.733 11.126 -0.139 1.00 0.00 C ATOM 474 CG ASP A 31 -10.601 12.539 -0.672 1.00 0.00 C ATOM 475 OD1 ASP A 31 -9.457 12.981 -0.907 1.00 0.00 O ATOM 476 OD2 ASP A 31 -11.643 13.203 -0.856 1.00 0.00 O ATOM 0 H ASP A 31 -11.272 9.251 1.488 1.00 0.00 H new ATOM 0 HA ASP A 31 -8.997 11.047 1.126 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -10.278 10.431 -0.844 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -11.789 10.864 -0.069 1.00 0.00 H new ATOM 481 N GLU A 32 -10.022 13.251 2.015 1.00 0.00 N ATOM 482 CA GLU A 32 -10.399 14.380 2.858 1.00 0.00 C ATOM 483 C GLU A 32 -11.170 15.424 2.056 1.00 0.00 C ATOM 484 O GLU A 32 -10.708 15.888 1.013 1.00 0.00 O ATOM 485 CB GLU A 32 -9.155 15.017 3.482 1.00 0.00 C ATOM 486 CG GLU A 32 -8.491 16.055 2.593 1.00 0.00 C ATOM 487 CD GLU A 32 -7.942 15.459 1.311 1.00 0.00 C ATOM 488 OE1 GLU A 32 -7.306 14.386 1.379 1.00 0.00 O ATOM 489 OE2 GLU A 32 -8.148 16.066 0.239 1.00 0.00 O ATOM 0 H GLU A 32 -9.322 13.469 1.306 1.00 0.00 H new ATOM 0 HA GLU A 32 -11.045 14.007 3.653 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -9.432 15.484 4.427 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -8.433 14.234 3.713 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -9.213 16.833 2.347 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -7.681 16.534 3.143 1.00 0.00 H new ATOM 686 N PHE A 46 -4.606 12.106 3.613 1.00 0.00 N ATOM 687 CA PHE A 46 -4.925 11.018 2.696 1.00 0.00 C ATOM 688 C PHE A 46 -4.317 9.704 3.178 1.00 0.00 C ATOM 689 O PHE A 46 -3.113 9.615 3.419 1.00 0.00 O ATOM 690 CB PHE A 46 -4.416 11.343 1.289 1.00 0.00 C ATOM 691 CG PHE A 46 -5.240 10.724 0.196 1.00 0.00 C ATOM 692 CD1 PHE A 46 -5.294 9.348 0.046 1.00 0.00 C ATOM 693 CD2 PHE A 46 -5.959 11.519 -0.681 1.00 0.00 C ATOM 694 CE1 PHE A 46 -6.051 8.775 -0.958 1.00 0.00 C ATOM 695 CE2 PHE A 46 -6.719 10.952 -1.687 1.00 0.00 C ATOM 696 CZ PHE A 46 -6.764 9.578 -1.827 1.00 0.00 C ATOM 0 HA PHE A 46 -6.009 10.907 2.667 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -4.405 12.425 1.156 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -3.386 10.999 1.195 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -4.738 8.715 0.722 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -5.926 12.594 -0.578 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -6.085 7.701 -1.063 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -7.277 11.583 -2.363 1.00 0.00 H new ATOM 0 HZ PHE A 46 -7.355 9.133 -2.614 1.00 0.00 H new ATOM 706 N LYS A 47 -5.158 8.686 3.318 1.00 0.00 N ATOM 707 CA LYS A 47 -4.707 7.376 3.771 1.00 0.00 C ATOM 708 C LYS A 47 -5.400 6.262 2.993 1.00 0.00 C ATOM 709 O LYS A 47 -6.576 6.374 2.643 1.00 0.00 O ATOM 710 CB LYS A 47 -4.975 7.210 5.268 1.00 0.00 C ATOM 711 CG LYS A 47 -4.853 5.776 5.753 1.00 0.00 C ATOM 712 CD LYS A 47 -6.194 5.061 5.722 1.00 0.00 C ATOM 713 CE LYS A 47 -6.851 5.050 7.093 1.00 0.00 C ATOM 714 NZ LYS A 47 -7.424 6.379 7.445 1.00 0.00 N ATOM 0 H LYS A 47 -6.158 8.743 3.124 1.00 0.00 H new ATOM 0 HA LYS A 47 -3.634 7.308 3.591 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -4.276 7.834 5.825 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -5.977 7.576 5.492 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -4.139 5.239 5.129 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -4.458 5.767 6.769 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -6.853 5.552 5.006 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -6.054 4.037 5.376 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -7.640 4.298 7.111 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -6.117 4.760 7.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -8.171 6.257 8.158 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -6.675 6.989 7.829 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -7.827 6.820 6.594 1.00 0.00 H new ATOM 728 N VAL A 48 -4.666 5.187 2.726 1.00 0.00 N ATOM 729 CA VAL A 48 -5.212 4.051 1.992 1.00 0.00 C ATOM 730 C VAL A 48 -5.054 2.758 2.783 1.00 0.00 C ATOM 731 O VAL A 48 -3.983 2.472 3.319 1.00 0.00 O ATOM 732 CB VAL A 48 -4.528 3.888 0.621 1.00 0.00 C ATOM 733 CG1 VAL A 48 -5.058 2.656 -0.097 1.00 0.00 C ATOM 734 CG2 VAL A 48 -4.728 5.136 -0.225 1.00 0.00 C ATOM 0 H VAL A 48 -3.691 5.078 3.007 1.00 0.00 H new ATOM 0 HA VAL A 48 -6.272 4.253 1.840 1.00 0.00 H new ATOM 0 HB VAL A 48 -3.458 3.753 0.781 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -4.563 2.557 -1.063 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -4.858 1.770 0.505 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -6.133 2.757 -0.248 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -4.239 5.004 -1.190 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -5.794 5.304 -0.379 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -4.295 5.996 0.287 1.00 0.00 H new ATOM 744 N VAL A 49 -6.129 1.978 2.853 1.00 0.00 N ATOM 745 CA VAL A 49 -6.110 0.714 3.578 1.00 0.00 C ATOM 746 C VAL A 49 -6.127 -0.471 2.618 1.00 0.00 C ATOM 747 O VAL A 49 -7.088 -0.665 1.871 1.00 0.00 O ATOM 748 CB VAL A 49 -7.309 0.599 4.538 1.00 0.00 C ATOM 749 CG1 VAL A 49 -7.275 -0.729 5.280 1.00 0.00 C ATOM 750 CG2 VAL A 49 -7.321 1.765 5.515 1.00 0.00 C ATOM 0 H VAL A 49 -7.024 2.200 2.416 1.00 0.00 H new ATOM 0 HA VAL A 49 -5.187 0.696 4.157 1.00 0.00 H new ATOM 0 HB VAL A 49 -8.227 0.636 3.951 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -8.130 -0.792 5.953 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -7.318 -1.548 4.562 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -6.353 -0.800 5.857 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -8.174 1.669 6.186 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -6.399 1.762 6.097 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -7.398 2.702 4.963 1.00 0.00 H new ATOM 760 N LEU A 50 -5.059 -1.260 2.642 1.00 0.00 N ATOM 761 CA LEU A 50 -4.950 -2.427 1.774 1.00 0.00 C ATOM 762 C LEU A 50 -4.435 -3.636 2.548 1.00 0.00 C ATOM 763 O LEU A 50 -3.273 -3.677 2.954 1.00 0.00 O ATOM 764 CB LEU A 50 -4.021 -2.127 0.596 1.00 0.00 C ATOM 765 CG LEU A 50 -3.872 -3.240 -0.442 1.00 0.00 C ATOM 766 CD1 LEU A 50 -3.545 -2.655 -1.807 1.00 0.00 C ATOM 767 CD2 LEU A 50 -2.798 -4.229 -0.012 1.00 0.00 C ATOM 0 H LEU A 50 -4.256 -1.113 3.253 1.00 0.00 H new ATOM 0 HA LEU A 50 -5.945 -2.660 1.394 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -4.385 -1.233 0.091 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -3.033 -1.890 0.990 1.00 0.00 H new ATOM 0 HG LEU A 50 -4.820 -3.773 -0.515 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -3.442 -3.461 -2.533 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -4.348 -1.986 -2.118 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -2.610 -2.097 -1.749 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -2.705 -5.014 -0.762 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -1.845 -3.710 0.090 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -3.074 -4.672 0.945 1.00 0.00 H new ATOM 779 N VAL A 51 -5.306 -4.620 2.748 1.00 0.00 N ATOM 780 CA VAL A 51 -4.938 -5.832 3.470 1.00 0.00 C ATOM 781 C VAL A 51 -4.589 -6.961 2.507 1.00 0.00 C ATOM 782 O VAL A 51 -5.392 -7.332 1.652 1.00 0.00 O ATOM 783 CB VAL A 51 -6.073 -6.297 4.400 1.00 0.00 C ATOM 784 CG1 VAL A 51 -5.639 -7.511 5.208 1.00 0.00 C ATOM 785 CG2 VAL A 51 -6.509 -5.164 5.317 1.00 0.00 C ATOM 0 H VAL A 51 -6.272 -4.601 2.420 1.00 0.00 H new ATOM 0 HA VAL A 51 -4.062 -5.589 4.072 1.00 0.00 H new ATOM 0 HB VAL A 51 -6.926 -6.586 3.786 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -6.455 -7.825 5.859 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -5.381 -8.325 4.531 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -4.770 -7.253 5.813 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -7.312 -5.511 5.967 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -5.663 -4.842 5.925 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -6.864 -4.326 4.717 1.00 0.00 H new ATOM 795 N SER A 52 -3.385 -7.505 2.653 1.00 0.00 N ATOM 796 CA SER A 52 -2.927 -8.591 1.794 1.00 0.00 C ATOM 797 C SER A 52 -1.910 -9.466 2.520 1.00 0.00 C ATOM 798 O SER A 52 -1.157 -8.988 3.369 1.00 0.00 O ATOM 799 CB SER A 52 -2.311 -8.029 0.511 1.00 0.00 C ATOM 800 OG SER A 52 -0.921 -7.803 0.670 1.00 0.00 O ATOM 0 H SER A 52 -2.709 -7.211 3.358 1.00 0.00 H new ATOM 0 HA SER A 52 -3.789 -9.206 1.535 1.00 0.00 H new ATOM 0 HB2 SER A 52 -2.478 -8.725 -0.311 1.00 0.00 H new ATOM 0 HB3 SER A 52 -2.806 -7.095 0.244 1.00 0.00 H new ATOM 0 HG SER A 52 -0.780 -6.975 1.175 1.00 0.00 H new ATOM 806 N ASP A 53 -1.894 -10.750 2.179 1.00 0.00 N ATOM 807 CA ASP A 53 -0.969 -11.693 2.797 1.00 0.00 C ATOM 808 C ASP A 53 0.455 -11.460 2.303 1.00 0.00 C ATOM 809 O ASP A 53 1.419 -11.656 3.043 1.00 0.00 O ATOM 810 CB ASP A 53 -1.397 -13.131 2.497 1.00 0.00 C ATOM 811 CG ASP A 53 -1.876 -13.306 1.069 1.00 0.00 C ATOM 812 OD1 ASP A 53 -1.432 -12.532 0.195 1.00 0.00 O ATOM 813 OD2 ASP A 53 -2.694 -14.218 0.825 1.00 0.00 O ATOM 0 H ASP A 53 -2.511 -11.161 1.478 1.00 0.00 H new ATOM 0 HA ASP A 53 -0.991 -11.533 3.875 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -0.558 -13.803 2.681 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -2.193 -13.421 3.182 1.00 0.00 H new ATOM 818 N ARG A 54 0.580 -11.042 1.048 1.00 0.00 N ATOM 819 CA ARG A 54 1.887 -10.785 0.454 1.00 0.00 C ATOM 820 C ARG A 54 2.821 -10.124 1.464 1.00 0.00 C ATOM 821 O ARG A 54 4.042 -10.264 1.379 1.00 0.00 O ATOM 822 CB ARG A 54 1.743 -9.895 -0.782 1.00 0.00 C ATOM 823 CG ARG A 54 0.967 -10.547 -1.915 1.00 0.00 C ATOM 824 CD ARG A 54 1.688 -11.775 -2.449 1.00 0.00 C ATOM 825 NE ARG A 54 1.158 -12.202 -3.741 1.00 0.00 N ATOM 826 CZ ARG A 54 0.100 -12.993 -3.877 1.00 0.00 C ATOM 827 NH1 ARG A 54 -0.538 -13.441 -2.805 1.00 0.00 N ATOM 828 NH2 ARG A 54 -0.322 -13.337 -5.087 1.00 0.00 N ATOM 0 H ARG A 54 -0.208 -10.874 0.422 1.00 0.00 H new ATOM 0 HA ARG A 54 2.318 -11.741 0.156 1.00 0.00 H new ATOM 0 HB2 ARG A 54 1.243 -8.969 -0.496 1.00 0.00 H new ATOM 0 HB3 ARG A 54 2.736 -9.624 -1.142 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -0.025 -10.831 -1.562 1.00 0.00 H new ATOM 0 HG3 ARG A 54 0.825 -9.828 -2.721 1.00 0.00 H new ATOM 0 HD2 ARG A 54 2.751 -11.557 -2.548 1.00 0.00 H new ATOM 0 HD3 ARG A 54 1.595 -12.590 -1.732 1.00 0.00 H new ATOM 0 HE ARG A 54 1.626 -11.875 -4.586 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -0.217 -13.178 -1.873 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -1.350 -14.048 -2.912 1.00 0.00 H new ATOM 0 HH21 ARG A 54 0.166 -12.994 -5.914 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -1.135 -13.945 -5.190 1.00 0.00 H new ATOM 842 N PHE A 55 2.240 -9.404 2.417 1.00 0.00 N ATOM 843 CA PHE A 55 3.021 -8.721 3.442 1.00 0.00 C ATOM 844 C PHE A 55 3.172 -9.594 4.684 1.00 0.00 C ATOM 845 O PHE A 55 3.096 -9.108 5.813 1.00 0.00 O ATOM 846 CB PHE A 55 2.359 -7.392 3.816 1.00 0.00 C ATOM 847 CG PHE A 55 2.040 -6.527 2.630 1.00 0.00 C ATOM 848 CD1 PHE A 55 3.036 -6.145 1.746 1.00 0.00 C ATOM 849 CD2 PHE A 55 0.744 -6.095 2.401 1.00 0.00 C ATOM 850 CE1 PHE A 55 2.745 -5.349 0.654 1.00 0.00 C ATOM 851 CE2 PHE A 55 0.447 -5.299 1.310 1.00 0.00 C ATOM 852 CZ PHE A 55 1.449 -4.925 0.437 1.00 0.00 C ATOM 0 H PHE A 55 1.231 -9.278 2.501 1.00 0.00 H new ATOM 0 HA PHE A 55 4.013 -8.524 3.036 1.00 0.00 H new ATOM 0 HB2 PHE A 55 1.440 -7.595 4.365 1.00 0.00 H new ATOM 0 HB3 PHE A 55 3.018 -6.844 4.489 1.00 0.00 H new ATOM 0 HD1 PHE A 55 4.052 -6.473 1.912 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -0.043 -6.383 3.082 1.00 0.00 H new ATOM 0 HE1 PHE A 55 3.530 -5.059 -0.028 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -0.568 -4.970 1.141 1.00 0.00 H new ATOM 0 HZ PHE A 55 1.219 -4.302 -0.415 1.00 0.00 H new ATOM 961 N ASN A 62 10.453 -2.455 0.953 1.00 0.00 N ATOM 962 CA ASN A 62 9.980 -3.153 -0.237 1.00 0.00 C ATOM 963 C ASN A 62 8.460 -3.083 -0.341 1.00 0.00 C ATOM 964 O ASN A 62 7.918 -2.488 -1.273 1.00 0.00 O ATOM 965 CB ASN A 62 10.434 -4.614 -0.211 1.00 0.00 C ATOM 966 CG ASN A 62 10.044 -5.364 -1.470 1.00 0.00 C ATOM 967 OD1 ASN A 62 10.132 -4.830 -2.576 1.00 0.00 O ATOM 968 ND2 ASN A 62 9.609 -6.608 -1.307 1.00 0.00 N ATOM 0 HA ASN A 62 10.409 -2.662 -1.110 1.00 0.00 H new ATOM 0 HB2 ASN A 62 11.516 -4.653 -0.089 1.00 0.00 H new ATOM 0 HB3 ASN A 62 9.997 -5.112 0.655 1.00 0.00 H new ATOM 0 HD21 ASN A 62 9.331 -7.161 -2.118 1.00 0.00 H new ATOM 0 HD22 ASN A 62 9.553 -7.010 -0.371 1.00 0.00 H new ATOM 975 N ARG A 63 7.778 -3.694 0.622 1.00 0.00 N ATOM 976 CA ARG A 63 6.320 -3.701 0.639 1.00 0.00 C ATOM 977 C ARG A 63 5.764 -2.355 0.184 1.00 0.00 C ATOM 978 O ARG A 63 4.645 -2.273 -0.323 1.00 0.00 O ATOM 979 CB ARG A 63 5.806 -4.030 2.042 1.00 0.00 C ATOM 980 CG ARG A 63 5.905 -2.865 3.014 1.00 0.00 C ATOM 981 CD ARG A 63 5.137 -3.145 4.297 1.00 0.00 C ATOM 982 NE ARG A 63 5.103 -1.981 5.179 1.00 0.00 N ATOM 983 CZ ARG A 63 4.399 -1.932 6.304 1.00 0.00 C ATOM 984 NH1 ARG A 63 3.675 -2.976 6.683 1.00 0.00 N ATOM 985 NH2 ARG A 63 4.419 -0.837 7.054 1.00 0.00 N ATOM 0 H ARG A 63 8.211 -4.191 1.400 1.00 0.00 H new ATOM 0 HA ARG A 63 5.978 -4.469 -0.055 1.00 0.00 H new ATOM 0 HB2 ARG A 63 4.766 -4.348 1.974 1.00 0.00 H new ATOM 0 HB3 ARG A 63 6.372 -4.873 2.439 1.00 0.00 H new ATOM 0 HG2 ARG A 63 6.952 -2.674 3.249 1.00 0.00 H new ATOM 0 HG3 ARG A 63 5.514 -1.963 2.544 1.00 0.00 H new ATOM 0 HD2 ARG A 63 4.118 -3.444 4.052 1.00 0.00 H new ATOM 0 HD3 ARG A 63 5.598 -3.983 4.820 1.00 0.00 H new ATOM 0 HE ARG A 63 5.650 -1.161 4.916 1.00 0.00 H new ATOM 0 HH11 ARG A 63 3.658 -3.820 6.110 1.00 0.00 H new ATOM 0 HH12 ARG A 63 3.135 -2.936 7.548 1.00 0.00 H new ATOM 0 HH21 ARG A 63 4.975 -0.032 6.766 1.00 0.00 H new ATOM 0 HH22 ARG A 63 3.878 -0.801 7.918 1.00 0.00 H new ATOM 999 N HIS A 64 6.553 -1.301 0.371 1.00 0.00 N ATOM 1000 CA HIS A 64 6.140 0.042 -0.020 1.00 0.00 C ATOM 1001 C HIS A 64 6.607 0.363 -1.437 1.00 0.00 C ATOM 1002 O HIS A 64 5.866 0.948 -2.227 1.00 0.00 O ATOM 1003 CB HIS A 64 6.697 1.075 0.960 1.00 0.00 C ATOM 1004 CG HIS A 64 5.796 1.340 2.127 1.00 0.00 C ATOM 1005 ND1 HIS A 64 5.900 2.466 2.916 1.00 0.00 N ATOM 1006 CD2 HIS A 64 4.771 0.618 2.635 1.00 0.00 C ATOM 1007 CE1 HIS A 64 4.977 2.424 3.862 1.00 0.00 C ATOM 1008 NE2 HIS A 64 4.279 1.313 3.713 1.00 0.00 N ATOM 0 H HIS A 64 7.481 -1.351 0.791 1.00 0.00 H new ATOM 0 HA HIS A 64 5.051 0.082 0.002 1.00 0.00 H new ATOM 0 HB2 HIS A 64 7.663 0.730 1.328 1.00 0.00 H new ATOM 0 HB3 HIS A 64 6.874 2.010 0.428 1.00 0.00 H new ATOM 0 HD2 HIS A 64 4.407 -0.328 2.263 1.00 0.00 H new ATOM 0 HE1 HIS A 64 4.821 3.171 4.626 1.00 0.00 H new ATOM 0 HE2 HIS A 64 3.501 1.019 4.303 1.00 0.00 H new ATOM 1017 N ARG A 65 7.839 -0.022 -1.750 1.00 0.00 N ATOM 1018 CA ARG A 65 8.405 0.227 -3.070 1.00 0.00 C ATOM 1019 C ARG A 65 7.501 -0.334 -4.164 1.00 0.00 C ATOM 1020 O ARG A 65 7.447 0.199 -5.272 1.00 0.00 O ATOM 1021 CB ARG A 65 9.799 -0.395 -3.177 1.00 0.00 C ATOM 1022 CG ARG A 65 9.789 -1.830 -3.679 1.00 0.00 C ATOM 1023 CD ARG A 65 11.194 -2.320 -3.992 1.00 0.00 C ATOM 1024 NE ARG A 65 11.601 -1.982 -5.353 1.00 0.00 N ATOM 1025 CZ ARG A 65 12.613 -2.567 -5.984 1.00 0.00 C ATOM 1026 NH1 ARG A 65 13.318 -3.513 -5.379 1.00 0.00 N ATOM 1027 NH2 ARG A 65 12.923 -2.205 -7.222 1.00 0.00 N ATOM 0 H ARG A 65 8.465 -0.508 -1.108 1.00 0.00 H new ATOM 0 HA ARG A 65 8.485 1.306 -3.206 1.00 0.00 H new ATOM 0 HB2 ARG A 65 10.408 0.211 -3.848 1.00 0.00 H new ATOM 0 HB3 ARG A 65 10.277 -0.365 -2.198 1.00 0.00 H new ATOM 0 HG2 ARG A 65 9.336 -2.476 -2.927 1.00 0.00 H new ATOM 0 HG3 ARG A 65 9.170 -1.899 -4.574 1.00 0.00 H new ATOM 0 HD2 ARG A 65 11.897 -1.881 -3.284 1.00 0.00 H new ATOM 0 HD3 ARG A 65 11.239 -3.401 -3.858 1.00 0.00 H new ATOM 0 HE ARG A 65 11.080 -1.257 -5.846 1.00 0.00 H new ATOM 0 HH11 ARG A 65 13.084 -3.793 -4.427 1.00 0.00 H new ATOM 0 HH12 ARG A 65 14.095 -3.960 -5.866 1.00 0.00 H new ATOM 0 HH21 ARG A 65 12.384 -1.477 -7.690 1.00 0.00 H new ATOM 0 HH22 ARG A 65 13.700 -2.655 -7.705 1.00 0.00 H new ATOM 1041 N MET A 66 6.794 -1.412 -3.844 1.00 0.00 N ATOM 1042 CA MET A 66 5.892 -2.045 -4.800 1.00 0.00 C ATOM 1043 C MET A 66 4.592 -1.257 -4.924 1.00 0.00 C ATOM 1044 O MET A 66 4.070 -1.072 -6.024 1.00 0.00 O ATOM 1045 CB MET A 66 5.591 -3.484 -4.374 1.00 0.00 C ATOM 1046 CG MET A 66 5.604 -3.687 -2.868 1.00 0.00 C ATOM 1047 SD MET A 66 4.751 -5.194 -2.363 1.00 0.00 S ATOM 1048 CE MET A 66 6.135 -6.309 -2.146 1.00 0.00 C ATOM 0 H MET A 66 6.828 -1.866 -2.931 1.00 0.00 H new ATOM 0 HA MET A 66 6.384 -2.057 -5.773 1.00 0.00 H new ATOM 0 HB2 MET A 66 4.614 -3.773 -4.763 1.00 0.00 H new ATOM 0 HB3 MET A 66 6.325 -4.150 -4.829 1.00 0.00 H new ATOM 0 HG2 MET A 66 6.636 -3.724 -2.519 1.00 0.00 H new ATOM 0 HG3 MET A 66 5.135 -2.829 -2.386 1.00 0.00 H new ATOM 0 HE1 MET A 66 5.824 -7.162 -1.542 1.00 0.00 H new ATOM 0 HE2 MET A 66 6.476 -6.659 -3.120 1.00 0.00 H new ATOM 0 HE3 MET A 66 6.948 -5.786 -1.643 1.00 0.00 H new ATOM 1058 N ILE A 67 4.074 -0.796 -3.790 1.00 0.00 N ATOM 1059 CA ILE A 67 2.835 -0.027 -3.774 1.00 0.00 C ATOM 1060 C ILE A 67 3.004 1.302 -4.501 1.00 0.00 C ATOM 1061 O ILE A 67 2.238 1.626 -5.410 1.00 0.00 O ATOM 1062 CB ILE A 67 2.361 0.245 -2.334 1.00 0.00 C ATOM 1063 CG1 ILE A 67 2.111 -1.073 -1.598 1.00 0.00 C ATOM 1064 CG2 ILE A 67 1.102 1.099 -2.344 1.00 0.00 C ATOM 1065 CD1 ILE A 67 0.955 -1.869 -2.161 1.00 0.00 C ATOM 0 H ILE A 67 4.493 -0.941 -2.871 1.00 0.00 H new ATOM 0 HA ILE A 67 2.084 -0.627 -4.288 1.00 0.00 H new ATOM 0 HB ILE A 67 3.143 0.791 -1.807 1.00 0.00 H new ATOM 0 HG12 ILE A 67 3.015 -1.681 -1.640 1.00 0.00 H new ATOM 0 HG13 ILE A 67 1.918 -0.862 -0.546 1.00 0.00 H new ATOM 0 HG21 ILE A 67 0.779 1.283 -1.319 1.00 0.00 H new ATOM 0 HG22 ILE A 67 1.311 2.050 -2.835 1.00 0.00 H new ATOM 0 HG23 ILE A 67 0.313 0.577 -2.885 1.00 0.00 H new ATOM 0 HD11 ILE A 67 0.836 -2.790 -1.591 1.00 0.00 H new ATOM 0 HD12 ILE A 67 0.040 -1.280 -2.094 1.00 0.00 H new ATOM 0 HD13 ILE A 67 1.154 -2.112 -3.205 1.00 0.00 H new ATOM 1077 N TYR A 68 4.011 2.068 -4.098 1.00 0.00 N ATOM 1078 CA TYR A 68 4.280 3.363 -4.711 1.00 0.00 C ATOM 1079 C TYR A 68 4.461 3.225 -6.219 1.00 0.00 C ATOM 1080 O TYR A 68 3.689 3.779 -7.002 1.00 0.00 O ATOM 1081 CB TYR A 68 5.529 3.994 -4.092 1.00 0.00 C ATOM 1082 CG TYR A 68 5.311 4.517 -2.690 1.00 0.00 C ATOM 1083 CD1 TYR A 68 4.250 5.366 -2.401 1.00 0.00 C ATOM 1084 CD2 TYR A 68 6.168 4.163 -1.655 1.00 0.00 C ATOM 1085 CE1 TYR A 68 4.048 5.846 -1.122 1.00 0.00 C ATOM 1086 CE2 TYR A 68 5.972 4.637 -0.372 1.00 0.00 C ATOM 1087 CZ TYR A 68 4.911 5.479 -0.111 1.00 0.00 C ATOM 1088 OH TYR A 68 4.714 5.955 1.165 1.00 0.00 O ATOM 0 H TYR A 68 4.655 1.814 -3.349 1.00 0.00 H new ATOM 0 HA TYR A 68 3.423 4.010 -4.524 1.00 0.00 H new ATOM 0 HB2 TYR A 68 6.329 3.254 -4.075 1.00 0.00 H new ATOM 0 HB3 TYR A 68 5.866 4.813 -4.728 1.00 0.00 H new ATOM 0 HD1 TYR A 68 3.572 5.656 -3.190 1.00 0.00 H new ATOM 0 HD2 TYR A 68 7.001 3.506 -1.857 1.00 0.00 H new ATOM 0 HE1 TYR A 68 3.218 6.506 -0.915 1.00 0.00 H new ATOM 0 HE2 TYR A 68 6.646 4.350 0.422 1.00 0.00 H new ATOM 0 HH TYR A 68 5.409 5.600 1.757 1.00 0.00 H new ATOM 1098 N SER A 69 5.487 2.480 -6.620 1.00 0.00 N ATOM 1099 CA SER A 69 5.773 2.270 -8.034 1.00 0.00 C ATOM 1100 C SER A 69 4.481 2.142 -8.836 1.00 0.00 C ATOM 1101 O SER A 69 4.411 2.555 -9.994 1.00 0.00 O ATOM 1102 CB SER A 69 6.630 1.017 -8.223 1.00 0.00 C ATOM 1103 OG SER A 69 6.838 0.743 -9.597 1.00 0.00 O ATOM 0 H SER A 69 6.134 2.012 -5.985 1.00 0.00 H new ATOM 0 HA SER A 69 6.324 3.136 -8.400 1.00 0.00 H new ATOM 0 HB2 SER A 69 7.591 1.152 -7.727 1.00 0.00 H new ATOM 0 HB3 SER A 69 6.143 0.165 -7.749 1.00 0.00 H new ATOM 0 HG SER A 69 7.390 -0.062 -9.690 1.00 0.00 H new ATOM 1109 N THR A 70 3.459 1.565 -8.212 1.00 0.00 N ATOM 1110 CA THR A 70 2.170 1.380 -8.866 1.00 0.00 C ATOM 1111 C THR A 70 1.496 2.719 -9.142 1.00 0.00 C ATOM 1112 O THR A 70 1.044 2.980 -10.258 1.00 0.00 O ATOM 1113 CB THR A 70 1.227 0.510 -8.013 1.00 0.00 C ATOM 1114 OG1 THR A 70 1.911 -0.669 -7.575 1.00 0.00 O ATOM 1115 CG2 THR A 70 -0.013 0.120 -8.804 1.00 0.00 C ATOM 0 H THR A 70 3.499 1.218 -7.254 1.00 0.00 H new ATOM 0 HA THR A 70 2.365 0.873 -9.811 1.00 0.00 H new ATOM 0 HB THR A 70 0.916 1.092 -7.145 1.00 0.00 H new ATOM 0 HG1 THR A 70 2.557 -0.432 -6.877 1.00 0.00 H new ATOM 0 HG21 THR A 70 -0.664 -0.494 -8.181 1.00 0.00 H new ATOM 0 HG22 THR A 70 -0.547 1.020 -9.110 1.00 0.00 H new ATOM 0 HG23 THR A 70 0.282 -0.445 -9.688 1.00 0.00 H new ATOM 1123 N LEU A 71 1.432 3.566 -8.120 1.00 0.00 N ATOM 1124 CA LEU A 71 0.814 4.880 -8.253 1.00 0.00 C ATOM 1125 C LEU A 71 1.740 5.973 -7.730 1.00 0.00 C ATOM 1126 O LEU A 71 1.312 6.868 -7.002 1.00 0.00 O ATOM 1127 CB LEU A 71 -0.516 4.919 -7.498 1.00 0.00 C ATOM 1128 CG LEU A 71 -0.610 4.029 -6.258 1.00 0.00 C ATOM 1129 CD1 LEU A 71 -0.132 4.779 -5.025 1.00 0.00 C ATOM 1130 CD2 LEU A 71 -2.036 3.533 -6.064 1.00 0.00 C ATOM 0 H LEU A 71 1.801 3.366 -7.190 1.00 0.00 H new ATOM 0 HA LEU A 71 0.629 5.061 -9.312 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -0.710 5.949 -7.197 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -1.311 4.633 -8.187 1.00 0.00 H new ATOM 0 HG LEU A 71 0.037 3.164 -6.405 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -0.206 4.130 -4.153 1.00 0.00 H new ATOM 0 HD12 LEU A 71 0.905 5.083 -5.164 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -0.752 5.663 -4.873 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -2.084 2.901 -5.177 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -2.704 4.385 -5.939 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -2.343 2.957 -6.937 1.00 0.00 H new ATOM 1142 N ALA A 72 3.012 5.895 -8.109 1.00 0.00 N ATOM 1143 CA ALA A 72 3.998 6.880 -7.682 1.00 0.00 C ATOM 1144 C ALA A 72 3.743 8.233 -8.339 1.00 0.00 C ATOM 1145 O ALA A 72 4.116 9.274 -7.800 1.00 0.00 O ATOM 1146 CB ALA A 72 5.403 6.393 -8.002 1.00 0.00 C ATOM 0 H ALA A 72 3.383 5.160 -8.711 1.00 0.00 H new ATOM 0 HA ALA A 72 3.905 7.006 -6.603 1.00 0.00 H new ATOM 0 HB1 ALA A 72 6.129 7.138 -7.678 1.00 0.00 H new ATOM 0 HB2 ALA A 72 5.590 5.454 -7.481 1.00 0.00 H new ATOM 0 HB3 ALA A 72 5.498 6.237 -9.077 1.00 0.00 H new ATOM 1152 N GLU A 73 3.107 8.208 -9.506 1.00 0.00 N ATOM 1153 CA GLU A 73 2.804 9.434 -10.236 1.00 0.00 C ATOM 1154 C GLU A 73 1.436 9.980 -9.839 1.00 0.00 C ATOM 1155 O GLU A 73 1.264 11.187 -9.668 1.00 0.00 O ATOM 1156 CB GLU A 73 2.846 9.179 -11.744 1.00 0.00 C ATOM 1157 CG GLU A 73 4.243 9.252 -12.336 1.00 0.00 C ATOM 1158 CD GLU A 73 4.236 9.627 -13.805 1.00 0.00 C ATOM 1159 OE1 GLU A 73 3.919 8.753 -14.638 1.00 0.00 O ATOM 1160 OE2 GLU A 73 4.549 10.794 -14.121 1.00 0.00 O ATOM 0 H GLU A 73 2.792 7.354 -9.966 1.00 0.00 H new ATOM 0 HA GLU A 73 3.560 10.176 -9.979 1.00 0.00 H new ATOM 0 HB2 GLU A 73 2.425 8.195 -11.949 1.00 0.00 H new ATOM 0 HB3 GLU A 73 2.210 9.909 -12.245 1.00 0.00 H new ATOM 0 HG2 GLU A 73 4.831 9.983 -11.781 1.00 0.00 H new ATOM 0 HG3 GLU A 73 4.736 8.288 -12.214 1.00 0.00 H new ATOM 1167 N GLU A 74 0.466 9.082 -9.694 1.00 0.00 N ATOM 1168 CA GLU A 74 -0.887 9.475 -9.318 1.00 0.00 C ATOM 1169 C GLU A 74 -0.890 10.199 -7.975 1.00 0.00 C ATOM 1170 O GLU A 74 -1.522 11.246 -7.823 1.00 0.00 O ATOM 1171 CB GLU A 74 -1.797 8.247 -9.250 1.00 0.00 C ATOM 1172 CG GLU A 74 -1.800 7.420 -10.525 1.00 0.00 C ATOM 1173 CD GLU A 74 -2.363 8.179 -11.711 1.00 0.00 C ATOM 1174 OE1 GLU A 74 -3.602 8.313 -11.795 1.00 0.00 O ATOM 1175 OE2 GLU A 74 -1.566 8.638 -12.555 1.00 0.00 O ATOM 0 H GLU A 74 0.592 8.079 -9.831 1.00 0.00 H new ATOM 0 HA GLU A 74 -1.265 10.157 -10.079 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -1.481 7.617 -8.419 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -2.815 8.571 -9.035 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -0.782 7.104 -10.751 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -2.387 6.515 -10.366 1.00 0.00 H new ATOM 1182 N LEU A 75 -0.182 9.635 -7.003 1.00 0.00 N ATOM 1183 CA LEU A 75 -0.102 10.225 -5.672 1.00 0.00 C ATOM 1184 C LEU A 75 0.660 11.546 -5.707 1.00 0.00 C ATOM 1185 O LEU A 75 0.627 12.319 -4.749 1.00 0.00 O ATOM 1186 CB LEU A 75 0.577 9.257 -4.702 1.00 0.00 C ATOM 1187 CG LEU A 75 2.054 8.965 -4.970 1.00 0.00 C ATOM 1188 CD1 LEU A 75 2.925 10.095 -4.445 1.00 0.00 C ATOM 1189 CD2 LEU A 75 2.459 7.640 -4.339 1.00 0.00 C ATOM 0 H LEU A 75 0.345 8.769 -7.112 1.00 0.00 H new ATOM 0 HA LEU A 75 -1.117 10.421 -5.327 1.00 0.00 H new ATOM 0 HB2 LEU A 75 0.484 9.660 -3.693 1.00 0.00 H new ATOM 0 HB3 LEU A 75 0.032 8.313 -4.720 1.00 0.00 H new ATOM 0 HG LEU A 75 2.200 8.891 -6.048 1.00 0.00 H new ATOM 0 HD11 LEU A 75 3.973 9.870 -4.645 1.00 0.00 H new ATOM 0 HD12 LEU A 75 2.653 11.026 -4.943 1.00 0.00 H new ATOM 0 HD13 LEU A 75 2.775 10.201 -3.371 1.00 0.00 H new ATOM 0 HD21 LEU A 75 3.513 7.448 -4.540 1.00 0.00 H new ATOM 0 HD22 LEU A 75 2.297 7.685 -3.262 1.00 0.00 H new ATOM 0 HD23 LEU A 75 1.857 6.836 -4.763 1.00 0.00 H new ATOM 1201 N SER A 76 1.344 11.800 -6.818 1.00 0.00 N ATOM 1202 CA SER A 76 2.116 13.027 -6.977 1.00 0.00 C ATOM 1203 C SER A 76 1.322 14.070 -7.757 1.00 0.00 C ATOM 1204 O SER A 76 1.873 15.071 -8.217 1.00 0.00 O ATOM 1205 CB SER A 76 3.437 12.734 -7.691 1.00 0.00 C ATOM 1206 OG SER A 76 4.260 13.887 -7.733 1.00 0.00 O ATOM 0 H SER A 76 1.379 11.172 -7.621 1.00 0.00 H new ATOM 0 HA SER A 76 2.329 13.425 -5.985 1.00 0.00 H new ATOM 0 HB2 SER A 76 3.961 11.928 -7.177 1.00 0.00 H new ATOM 0 HB3 SER A 76 3.237 12.389 -8.705 1.00 0.00 H new ATOM 0 HG SER A 76 3.701 14.683 -7.852 1.00 0.00 H new ATOM 1212 N THR A 77 0.023 13.829 -7.903 1.00 0.00 N ATOM 1213 CA THR A 77 -0.848 14.746 -8.628 1.00 0.00 C ATOM 1214 C THR A 77 -1.329 15.877 -7.727 1.00 0.00 C ATOM 1215 O THR A 77 -1.085 17.052 -8.003 1.00 0.00 O ATOM 1216 CB THR A 77 -2.071 14.015 -9.213 1.00 0.00 C ATOM 1217 OG1 THR A 77 -1.643 12.986 -10.113 1.00 0.00 O ATOM 1218 CG2 THR A 77 -2.984 14.987 -9.944 1.00 0.00 C ATOM 0 H THR A 77 -0.449 13.006 -7.529 1.00 0.00 H new ATOM 0 HA THR A 77 -0.258 15.162 -9.444 1.00 0.00 H new ATOM 0 HB THR A 77 -2.627 13.568 -8.389 1.00 0.00 H new ATOM 0 HG1 THR A 77 -1.414 12.181 -9.604 1.00 0.00 H new ATOM 0 HG21 THR A 77 -3.841 14.448 -10.348 1.00 0.00 H new ATOM 0 HG22 THR A 77 -3.332 15.752 -9.250 1.00 0.00 H new ATOM 0 HG23 THR A 77 -2.435 15.459 -10.759 1.00 0.00 H new ATOM 1226 N THR A 78 -2.013 15.515 -6.646 1.00 0.00 N ATOM 1227 CA THR A 78 -2.529 16.500 -5.703 1.00 0.00 C ATOM 1228 C THR A 78 -2.113 16.165 -4.275 1.00 0.00 C ATOM 1229 O THR A 78 -1.931 17.056 -3.445 1.00 0.00 O ATOM 1230 CB THR A 78 -4.065 16.591 -5.770 1.00 0.00 C ATOM 1231 OG1 THR A 78 -4.534 17.615 -4.886 1.00 0.00 O ATOM 1232 CG2 THR A 78 -4.703 15.261 -5.398 1.00 0.00 C ATOM 0 H THR A 78 -2.222 14.547 -6.402 1.00 0.00 H new ATOM 0 HA THR A 78 -2.103 17.462 -5.986 1.00 0.00 H new ATOM 0 HB THR A 78 -4.348 16.838 -6.793 1.00 0.00 H new ATOM 0 HG1 THR A 78 -5.511 17.668 -4.936 1.00 0.00 H new ATOM 0 HG21 THR A 78 -5.788 15.350 -5.453 1.00 0.00 H new ATOM 0 HG22 THR A 78 -4.367 14.490 -6.091 1.00 0.00 H new ATOM 0 HG23 THR A 78 -4.412 14.989 -4.383 1.00 0.00 H new ATOM 1240 N VAL A 79 -1.962 14.874 -3.995 1.00 0.00 N ATOM 1241 CA VAL A 79 -1.565 14.421 -2.667 1.00 0.00 C ATOM 1242 C VAL A 79 -0.082 14.674 -2.421 1.00 0.00 C ATOM 1243 O VAL A 79 0.734 14.591 -3.339 1.00 0.00 O ATOM 1244 CB VAL A 79 -1.858 12.921 -2.475 1.00 0.00 C ATOM 1245 CG1 VAL A 79 -1.295 12.433 -1.149 1.00 0.00 C ATOM 1246 CG2 VAL A 79 -3.354 12.656 -2.558 1.00 0.00 C ATOM 0 H VAL A 79 -2.109 14.124 -4.670 1.00 0.00 H new ATOM 0 HA VAL A 79 -2.152 14.993 -1.948 1.00 0.00 H new ATOM 0 HB VAL A 79 -1.369 12.367 -3.276 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -1.511 11.371 -1.030 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -0.216 12.587 -1.133 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -1.753 12.990 -0.332 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -3.543 11.591 -2.420 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -3.867 13.220 -1.779 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -3.725 12.967 -3.535 1.00 0.00 H new ATOM 1256 N HIS A 80 0.261 14.982 -1.174 1.00 0.00 N ATOM 1257 CA HIS A 80 1.647 15.246 -0.806 1.00 0.00 C ATOM 1258 C HIS A 80 2.203 14.120 0.061 1.00 0.00 C ATOM 1259 O HIS A 80 3.235 13.530 -0.257 1.00 0.00 O ATOM 1260 CB HIS A 80 1.755 16.578 -0.063 1.00 0.00 C ATOM 1261 CG HIS A 80 3.084 17.250 -0.229 1.00 0.00 C ATOM 1262 ND1 HIS A 80 3.653 17.500 -1.459 1.00 0.00 N ATOM 1263 CD2 HIS A 80 3.955 17.726 0.691 1.00 0.00 C ATOM 1264 CE1 HIS A 80 4.818 18.100 -1.290 1.00 0.00 C ATOM 1265 NE2 HIS A 80 5.025 18.249 0.006 1.00 0.00 N ATOM 0 H HIS A 80 -0.402 15.055 -0.402 1.00 0.00 H new ATOM 0 HA HIS A 80 2.236 15.301 -1.722 1.00 0.00 H new ATOM 0 HB2 HIS A 80 0.972 17.247 -0.418 1.00 0.00 H new ATOM 0 HB3 HIS A 80 1.573 16.409 0.998 1.00 0.00 H new ATOM 0 HD2 HIS A 80 3.832 17.700 1.764 1.00 0.00 H new ATOM 0 HE1 HIS A 80 5.487 18.415 -2.077 1.00 0.00 H new ATOM 0 HE2 HIS A 80 5.846 18.682 0.429 1.00 0.00 H new ATOM 1274 N ALA A 81 1.512 13.829 1.158 1.00 0.00 N ATOM 1275 CA ALA A 81 1.936 12.774 2.070 1.00 0.00 C ATOM 1276 C ALA A 81 0.840 11.728 2.246 1.00 0.00 C ATOM 1277 O ALA A 81 -0.233 12.020 2.775 1.00 0.00 O ATOM 1278 CB ALA A 81 2.324 13.365 3.417 1.00 0.00 C ATOM 0 H ALA A 81 0.656 14.309 1.437 1.00 0.00 H new ATOM 0 HA ALA A 81 2.807 12.282 1.637 1.00 0.00 H new ATOM 0 HB1 ALA A 81 2.638 12.566 4.088 1.00 0.00 H new ATOM 0 HB2 ALA A 81 3.145 14.070 3.282 1.00 0.00 H new ATOM 0 HB3 ALA A 81 1.467 13.884 3.847 1.00 0.00 H new ATOM 1284 N LEU A 82 1.117 10.507 1.799 1.00 0.00 N ATOM 1285 CA LEU A 82 0.154 9.417 1.907 1.00 0.00 C ATOM 1286 C LEU A 82 0.640 8.356 2.889 1.00 0.00 C ATOM 1287 O LEU A 82 1.840 8.115 3.015 1.00 0.00 O ATOM 1288 CB LEU A 82 -0.086 8.785 0.534 1.00 0.00 C ATOM 1289 CG LEU A 82 -0.943 7.519 0.519 1.00 0.00 C ATOM 1290 CD1 LEU A 82 -2.345 7.818 1.025 1.00 0.00 C ATOM 1291 CD2 LEU A 82 -0.994 6.927 -0.882 1.00 0.00 C ATOM 0 H LEU A 82 2.000 10.248 1.359 1.00 0.00 H new ATOM 0 HA LEU A 82 -0.784 9.829 2.280 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -0.559 9.528 -0.108 1.00 0.00 H new ATOM 0 HB3 LEU A 82 0.881 8.550 0.090 1.00 0.00 H new ATOM 0 HG LEU A 82 -0.487 6.786 1.185 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -2.941 6.905 1.007 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -2.290 8.196 2.046 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -2.811 8.568 0.385 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -1.608 6.027 -0.874 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -1.426 7.655 -1.569 1.00 0.00 H new ATOM 0 HD23 LEU A 82 0.015 6.675 -1.207 1.00 0.00 H new ATOM 1303 N ALA A 83 -0.301 7.724 3.583 1.00 0.00 N ATOM 1304 CA ALA A 83 0.030 6.687 4.551 1.00 0.00 C ATOM 1305 C ALA A 83 -0.459 5.321 4.082 1.00 0.00 C ATOM 1306 O ALA A 83 -1.656 5.116 3.876 1.00 0.00 O ATOM 1307 CB ALA A 83 -0.564 7.024 5.911 1.00 0.00 C ATOM 0 H ALA A 83 -1.299 7.913 3.492 1.00 0.00 H new ATOM 0 HA ALA A 83 1.115 6.644 4.642 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -0.308 6.240 6.624 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -0.162 7.976 6.258 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -1.648 7.098 5.826 1.00 0.00 H new ATOM 1313 N LEU A 84 0.473 4.390 3.914 1.00 0.00 N ATOM 1314 CA LEU A 84 0.136 3.042 3.467 1.00 0.00 C ATOM 1315 C LEU A 84 -0.027 2.100 4.655 1.00 0.00 C ATOM 1316 O LEU A 84 0.956 1.664 5.256 1.00 0.00 O ATOM 1317 CB LEU A 84 1.218 2.511 2.525 1.00 0.00 C ATOM 1318 CG LEU A 84 1.414 3.287 1.222 1.00 0.00 C ATOM 1319 CD1 LEU A 84 2.588 2.724 0.437 1.00 0.00 C ATOM 1320 CD2 LEU A 84 0.144 3.252 0.384 1.00 0.00 C ATOM 0 H LEU A 84 1.468 4.543 4.080 1.00 0.00 H new ATOM 0 HA LEU A 84 -0.812 3.089 2.931 1.00 0.00 H new ATOM 0 HB2 LEU A 84 2.166 2.499 3.063 1.00 0.00 H new ATOM 0 HB3 LEU A 84 0.979 1.477 2.276 1.00 0.00 H new ATOM 0 HG LEU A 84 1.634 4.326 1.470 1.00 0.00 H new ATOM 0 HD11 LEU A 84 2.712 3.289 -0.487 1.00 0.00 H new ATOM 0 HD12 LEU A 84 3.496 2.802 1.035 1.00 0.00 H new ATOM 0 HD13 LEU A 84 2.398 1.677 0.200 1.00 0.00 H new ATOM 0 HD21 LEU A 84 0.302 3.809 -0.539 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -0.106 2.218 0.146 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -0.674 3.703 0.945 1.00 0.00 H new ATOM 1332 N HIS A 85 -1.275 1.787 4.989 1.00 0.00 N ATOM 1333 CA HIS A 85 -1.567 0.893 6.104 1.00 0.00 C ATOM 1334 C HIS A 85 -1.803 -0.532 5.611 1.00 0.00 C ATOM 1335 O HIS A 85 -2.944 -0.985 5.511 1.00 0.00 O ATOM 1336 CB HIS A 85 -2.792 1.388 6.874 1.00 0.00 C ATOM 1337 CG HIS A 85 -2.458 2.343 7.979 1.00 0.00 C ATOM 1338 ND1 HIS A 85 -1.326 2.228 8.757 1.00 0.00 N ATOM 1339 CD2 HIS A 85 -3.116 3.436 8.432 1.00 0.00 C ATOM 1340 CE1 HIS A 85 -1.302 3.208 9.643 1.00 0.00 C ATOM 1341 NE2 HIS A 85 -2.377 3.956 9.466 1.00 0.00 N ATOM 0 H HIS A 85 -2.100 2.139 4.504 1.00 0.00 H new ATOM 0 HA HIS A 85 -0.705 0.890 6.771 1.00 0.00 H new ATOM 0 HB2 HIS A 85 -3.476 1.874 6.179 1.00 0.00 H new ATOM 0 HB3 HIS A 85 -3.319 0.531 7.293 1.00 0.00 H new ATOM 0 HD2 HIS A 85 -4.048 3.826 8.051 1.00 0.00 H new ATOM 0 HE1 HIS A 85 -0.535 3.370 10.385 1.00 0.00 H new ATOM 0 HE2 HIS A 85 -2.619 4.785 10.009 1.00 0.00 H new ATOM 1350 N THR A 86 -0.717 -1.234 5.303 1.00 0.00 N ATOM 1351 CA THR A 86 -0.806 -2.606 4.819 1.00 0.00 C ATOM 1352 C THR A 86 -0.873 -3.594 5.977 1.00 0.00 C ATOM 1353 O THR A 86 -0.032 -3.571 6.876 1.00 0.00 O ATOM 1354 CB THR A 86 0.395 -2.964 3.923 1.00 0.00 C ATOM 1355 OG1 THR A 86 1.587 -3.048 4.712 1.00 0.00 O ATOM 1356 CG2 THR A 86 0.580 -1.927 2.825 1.00 0.00 C ATOM 0 H THR A 86 0.235 -0.875 5.380 1.00 0.00 H new ATOM 0 HA THR A 86 -1.722 -2.676 4.232 1.00 0.00 H new ATOM 0 HB THR A 86 0.198 -3.930 3.459 1.00 0.00 H new ATOM 0 HG1 THR A 86 1.348 -3.100 5.661 1.00 0.00 H new ATOM 0 HG21 THR A 86 1.434 -2.201 2.206 1.00 0.00 H new ATOM 0 HG22 THR A 86 -0.318 -1.886 2.208 1.00 0.00 H new ATOM 0 HG23 THR A 86 0.757 -0.949 3.274 1.00 0.00 H new ATOM 1364 N TYR A 87 -1.879 -4.462 5.950 1.00 0.00 N ATOM 1365 CA TYR A 87 -2.057 -5.458 6.999 1.00 0.00 C ATOM 1366 C TYR A 87 -2.252 -6.849 6.403 1.00 0.00 C ATOM 1367 O TYR A 87 -2.399 -7.003 5.190 1.00 0.00 O ATOM 1368 CB TYR A 87 -3.256 -5.096 7.877 1.00 0.00 C ATOM 1369 CG TYR A 87 -2.919 -4.139 8.998 1.00 0.00 C ATOM 1370 CD1 TYR A 87 -2.354 -2.897 8.731 1.00 0.00 C ATOM 1371 CD2 TYR A 87 -3.163 -4.476 10.323 1.00 0.00 C ATOM 1372 CE1 TYR A 87 -2.044 -2.020 9.752 1.00 0.00 C ATOM 1373 CE2 TYR A 87 -2.857 -3.604 11.350 1.00 0.00 C ATOM 1374 CZ TYR A 87 -2.297 -2.378 11.060 1.00 0.00 C ATOM 1375 OH TYR A 87 -1.989 -1.507 12.080 1.00 0.00 O ATOM 0 H TYR A 87 -2.583 -4.495 5.213 1.00 0.00 H new ATOM 0 HA TYR A 87 -1.155 -5.468 7.611 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -4.032 -4.652 7.253 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -3.673 -6.009 8.303 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -2.154 -2.613 7.708 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -3.600 -5.436 10.555 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -1.606 -1.059 9.527 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -3.055 -3.881 12.375 1.00 0.00 H new ATOM 0 HH TYR A 87 -2.231 -1.911 12.939 1.00 0.00 H new ATOM 1385 N THR A 88 -2.251 -7.861 7.265 1.00 0.00 N ATOM 1386 CA THR A 88 -2.427 -9.239 6.826 1.00 0.00 C ATOM 1387 C THR A 88 -3.793 -9.777 7.234 1.00 0.00 C ATOM 1388 O THR A 88 -4.336 -9.395 8.271 1.00 0.00 O ATOM 1389 CB THR A 88 -1.333 -10.157 7.404 1.00 0.00 C ATOM 1390 OG1 THR A 88 -1.317 -10.059 8.833 1.00 0.00 O ATOM 1391 CG2 THR A 88 0.034 -9.785 6.850 1.00 0.00 C ATOM 0 H THR A 88 -2.130 -7.752 8.272 1.00 0.00 H new ATOM 0 HA THR A 88 -2.351 -9.235 5.739 1.00 0.00 H new ATOM 0 HB THR A 88 -1.558 -11.183 7.113 1.00 0.00 H new ATOM 0 HG1 THR A 88 -0.683 -9.364 9.106 1.00 0.00 H new ATOM 0 HG21 THR A 88 0.790 -10.447 7.272 1.00 0.00 H new ATOM 0 HG22 THR A 88 0.027 -9.888 5.765 1.00 0.00 H new ATOM 0 HG23 THR A 88 0.266 -8.753 7.115 1.00 0.00 H new ATOM 1399 N ILE A 89 -4.344 -10.665 6.413 1.00 0.00 N ATOM 1400 CA ILE A 89 -5.647 -11.256 6.691 1.00 0.00 C ATOM 1401 C ILE A 89 -5.759 -11.679 8.151 1.00 0.00 C ATOM 1402 O ILE A 89 -6.621 -11.196 8.886 1.00 0.00 O ATOM 1403 CB ILE A 89 -5.914 -12.478 5.792 1.00 0.00 C ATOM 1404 CG1 ILE A 89 -5.856 -12.075 4.317 1.00 0.00 C ATOM 1405 CG2 ILE A 89 -7.264 -13.096 6.126 1.00 0.00 C ATOM 1406 CD1 ILE A 89 -4.471 -12.175 3.717 1.00 0.00 C ATOM 0 H ILE A 89 -3.908 -10.991 5.550 1.00 0.00 H new ATOM 0 HA ILE A 89 -6.393 -10.489 6.480 1.00 0.00 H new ATOM 0 HB ILE A 89 -5.140 -13.223 5.976 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -6.536 -12.709 3.748 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -6.215 -11.051 4.214 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -7.439 -13.958 5.483 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -7.271 -13.414 7.169 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -8.051 -12.359 5.966 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -4.506 -11.874 2.670 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -3.791 -11.519 4.261 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -4.117 -13.204 3.788 1.00 0.00 H new ATOM 1418 N LYS A 90 -4.879 -12.584 8.568 1.00 0.00 N ATOM 1419 CA LYS A 90 -4.875 -13.071 9.942 1.00 0.00 C ATOM 1420 C LYS A 90 -4.899 -11.911 10.932 1.00 0.00 C ATOM 1421 O LYS A 90 -5.748 -11.860 11.821 1.00 0.00 O ATOM 1422 CB LYS A 90 -3.643 -13.943 10.192 1.00 0.00 C ATOM 1423 CG LYS A 90 -3.867 -15.415 9.892 1.00 0.00 C ATOM 1424 CD LYS A 90 -4.015 -15.663 8.400 1.00 0.00 C ATOM 1425 CE LYS A 90 -2.669 -15.625 7.693 1.00 0.00 C ATOM 1426 NZ LYS A 90 -1.867 -16.852 7.960 1.00 0.00 N ATOM 0 H LYS A 90 -4.159 -12.995 7.973 1.00 0.00 H new ATOM 0 HA LYS A 90 -5.773 -13.670 10.090 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -2.819 -13.577 9.579 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -3.338 -13.836 11.233 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -3.030 -15.997 10.277 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -4.762 -15.761 10.410 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -4.486 -16.632 8.236 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -4.675 -14.911 7.969 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -2.826 -15.520 6.619 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -2.111 -14.748 8.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -1.028 -16.859 7.345 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -1.566 -16.860 8.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -2.446 -17.694 7.766 1.00 0.00 H new ATOM 1440 N GLU A 91 -3.963 -10.981 10.769 1.00 0.00 N ATOM 1441 CA GLU A 91 -3.879 -9.821 11.648 1.00 0.00 C ATOM 1442 C GLU A 91 -5.245 -9.161 11.811 1.00 0.00 C ATOM 1443 O GLU A 91 -5.630 -8.771 12.913 1.00 0.00 O ATOM 1444 CB GLU A 91 -2.873 -8.807 11.097 1.00 0.00 C ATOM 1445 CG GLU A 91 -1.453 -9.029 11.591 1.00 0.00 C ATOM 1446 CD GLU A 91 -0.565 -7.819 11.375 1.00 0.00 C ATOM 1447 OE1 GLU A 91 -0.671 -6.857 12.165 1.00 0.00 O ATOM 1448 OE2 GLU A 91 0.235 -7.833 10.417 1.00 0.00 O ATOM 0 H GLU A 91 -3.253 -11.008 10.037 1.00 0.00 H new ATOM 0 HA GLU A 91 -3.541 -10.163 12.626 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -2.882 -8.854 10.008 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -3.193 -7.803 11.375 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -1.476 -9.274 12.653 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -1.023 -9.888 11.075 1.00 0.00 H new ATOM 1455 N TRP A 92 -5.971 -9.039 10.706 1.00 0.00 N ATOM 1456 CA TRP A 92 -7.295 -8.426 10.726 1.00 0.00 C ATOM 1457 C TRP A 92 -8.298 -9.319 11.447 1.00 0.00 C ATOM 1458 O TRP A 92 -9.121 -8.839 12.225 1.00 0.00 O ATOM 1459 CB TRP A 92 -7.772 -8.149 9.299 1.00 0.00 C ATOM 1460 CG TRP A 92 -8.690 -6.969 9.198 1.00 0.00 C ATOM 1461 CD1 TRP A 92 -9.905 -6.926 8.577 1.00 0.00 C ATOM 1462 CD2 TRP A 92 -8.465 -5.660 9.734 1.00 0.00 C ATOM 1463 NE1 TRP A 92 -10.449 -5.669 8.694 1.00 0.00 N ATOM 1464 CE2 TRP A 92 -9.586 -4.875 9.400 1.00 0.00 C ATOM 1465 CE3 TRP A 92 -7.427 -5.076 10.465 1.00 0.00 C ATOM 1466 CZ2 TRP A 92 -9.694 -3.537 9.771 1.00 0.00 C ATOM 1467 CZ3 TRP A 92 -7.536 -3.748 10.832 1.00 0.00 C ATOM 1468 CH2 TRP A 92 -8.663 -2.991 10.486 1.00 0.00 C ATOM 0 H TRP A 92 -5.666 -9.356 9.786 1.00 0.00 H new ATOM 0 HA TRP A 92 -7.224 -7.483 11.267 1.00 0.00 H new ATOM 0 HB2 TRP A 92 -6.905 -7.981 8.660 1.00 0.00 H new ATOM 0 HB3 TRP A 92 -8.284 -9.032 8.917 1.00 0.00 H new ATOM 0 HD1 TRP A 92 -10.370 -7.757 8.069 1.00 0.00 H new ATOM 0 HE1 TRP A 92 -11.350 -5.376 8.316 1.00 0.00 H new ATOM 0 HE3 TRP A 92 -6.555 -5.652 10.738 1.00 0.00 H new ATOM 0 HZ2 TRP A 92 -10.561 -2.951 9.504 1.00 0.00 H new ATOM 0 HZ3 TRP A 92 -6.739 -3.286 11.395 1.00 0.00 H new ATOM 0 HH2 TRP A 92 -8.719 -1.956 10.790 1.00 0.00 H new ATOM 1479 N GLU A 93 -8.223 -10.620 11.182 1.00 0.00 N ATOM 1480 CA GLU A 93 -9.127 -11.579 11.807 1.00 0.00 C ATOM 1481 C GLU A 93 -9.310 -11.268 13.289 1.00 0.00 C ATOM 1482 O GLU A 93 -10.347 -11.576 13.876 1.00 0.00 O ATOM 1483 CB GLU A 93 -8.593 -13.003 11.635 1.00 0.00 C ATOM 1484 CG GLU A 93 -8.541 -13.463 10.188 1.00 0.00 C ATOM 1485 CD GLU A 93 -8.214 -14.938 10.057 1.00 0.00 C ATOM 1486 OE1 GLU A 93 -8.456 -15.689 11.025 1.00 0.00 O ATOM 1487 OE2 GLU A 93 -7.716 -15.342 8.985 1.00 0.00 O ATOM 0 H GLU A 93 -7.547 -11.033 10.540 1.00 0.00 H new ATOM 0 HA GLU A 93 -10.096 -11.500 11.315 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -7.592 -13.061 12.062 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -9.222 -13.689 12.203 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -9.501 -13.264 9.712 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -7.793 -12.880 9.652 1.00 0.00 H new ATOM 1494 N GLY A 94 -8.295 -10.655 13.889 1.00 0.00 N ATOM 1495 CA GLY A 94 -8.363 -10.312 15.298 1.00 0.00 C ATOM 1496 C GLY A 94 -7.177 -9.484 15.751 1.00 0.00 C ATOM 1497 O GLY A 94 -6.336 -9.956 16.517 1.00 0.00 O ATOM 0 H GLY A 94 -7.426 -10.389 13.425 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -9.283 -9.759 15.490 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -8.411 -11.226 15.889 1.00 0.00 H new