USER MOD reduce.3.24.130724 H: found=0, std=0, add=647, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 649 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 51 TYR OH : rot -80:sc= 0.166 USER MOD Set 1.2: A 55 GLN : amide:sc= -16.9! C(o=-17!,f=-14!) USER MOD Set 2.1: A 25 GLN : amide:sc= -2.98 K(o=-12,f=-22!) USER MOD Set 2.2: A 37 MET CE :methyl -117:sc= -9.24! (180deg=-10.6!) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot -27:sc= 1 USER MOD Single : A 16 LYS NZ :NH3+ 147:sc= -0.223 (180deg=-0.931) USER MOD Single : A 19 SER OG : rot 86:sc= 1.21 USER MOD Single : A 23 ASN : amide:sc= 0.00418 X(o=0.0042,f=0) USER MOD Single : A 24 GLN : amide:sc= -0.107 X(o=-0.11,f=-0.026) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 MET CE :methyl 171:sc= 0 (180deg=-0.0153) USER MOD Single : A 46 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 TYR OH : rot 35:sc= -1.15 USER MOD Single : A 50 ASN : amide:sc= -0.0311 K(o=-0.031,f=-0.6) USER MOD Single : A 52 TYR OH : rot 131:sc= -2.87! USER MOD Single : A 54 GLN : amide:sc= 0.133 X(o=0.13,f=0) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= -0.265 X(o=-0.27,f=-0.067) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= -1.97 K(o=-2,f=-5.1!) USER MOD Single : A 72 GLN : amide:sc= -0.381 X(o=-0.38,f=-0.0099) USER MOD Single : A 75 ASN : amide:sc= 0.823 K(o=0.82,f=0) USER MOD Single : A 76 THR OG1 : rot 78:sc= 0.0505 USER MOD Single : A 79 ASN : amide:sc= 0 X(o=0,f=-4.4e-05) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 TYR OH : rot -108:sc= -3.58! USER MOD ----------------------------------------------------------------- ATOM 87 N LYS A 8 5.891 21.132 -0.524 1.00 0.00 N ATOM 88 CA LYS A 8 6.335 20.089 -1.439 1.00 0.00 C ATOM 89 C LYS A 8 7.100 19.007 -0.685 1.00 0.00 C ATOM 90 O LYS A 8 7.066 17.835 -1.061 1.00 0.00 O ATOM 91 CB LYS A 8 7.215 20.687 -2.536 1.00 0.00 C ATOM 92 CG LYS A 8 7.239 19.862 -3.815 1.00 0.00 C ATOM 93 CD LYS A 8 8.531 19.069 -3.948 1.00 0.00 C ATOM 94 CE LYS A 8 9.157 19.248 -5.321 1.00 0.00 C ATOM 95 NZ LYS A 8 9.997 20.476 -5.393 1.00 0.00 N ATOM 0 HA LYS A 8 5.456 19.637 -1.899 1.00 0.00 H new ATOM 0 HB2 LYS A 8 6.860 21.691 -2.768 1.00 0.00 H new ATOM 0 HB3 LYS A 8 8.233 20.788 -2.159 1.00 0.00 H new ATOM 0 HG2 LYS A 8 6.390 19.179 -3.823 1.00 0.00 H new ATOM 0 HG3 LYS A 8 7.126 20.521 -4.676 1.00 0.00 H new ATOM 0 HD2 LYS A 8 9.236 19.390 -3.181 1.00 0.00 H new ATOM 0 HD3 LYS A 8 8.330 18.012 -3.774 1.00 0.00 H new ATOM 0 HE2 LYS A 8 9.767 18.376 -5.558 1.00 0.00 H new ATOM 0 HE3 LYS A 8 8.371 19.301 -6.074 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 10.406 20.562 -6.345 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 9.410 21.311 -5.192 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 10.763 20.414 -4.692 1.00 0.00 H new ATOM 109 N ASP A 9 7.783 19.405 0.385 1.00 0.00 N ATOM 110 CA ASP A 9 8.546 18.463 1.191 1.00 0.00 C ATOM 111 C ASP A 9 7.609 17.480 1.875 1.00 0.00 C ATOM 112 O ASP A 9 7.853 16.274 1.876 1.00 0.00 O ATOM 113 CB ASP A 9 9.392 19.200 2.232 1.00 0.00 C ATOM 114 CG ASP A 9 10.488 18.327 2.810 1.00 0.00 C ATOM 115 OD1 ASP A 9 11.502 18.107 2.113 1.00 0.00 O ATOM 116 OD2 ASP A 9 10.334 17.862 3.958 1.00 0.00 O ATOM 0 H ASP A 9 7.822 20.371 0.711 1.00 0.00 H new ATOM 0 HA ASP A 9 9.217 17.912 0.532 1.00 0.00 H new ATOM 0 HB2 ASP A 9 9.838 20.083 1.774 1.00 0.00 H new ATOM 0 HB3 ASP A 9 8.747 19.550 3.038 1.00 0.00 H new ATOM 121 N LEU A 10 6.525 17.999 2.445 1.00 0.00 N ATOM 122 CA LEU A 10 5.551 17.149 3.114 1.00 0.00 C ATOM 123 C LEU A 10 4.980 16.143 2.125 1.00 0.00 C ATOM 124 O LEU A 10 4.875 14.952 2.425 1.00 0.00 O ATOM 125 CB LEU A 10 4.423 17.991 3.712 1.00 0.00 C ATOM 126 CG LEU A 10 3.413 17.210 4.555 1.00 0.00 C ATOM 127 CD1 LEU A 10 3.727 17.355 6.038 1.00 0.00 C ATOM 128 CD2 LEU A 10 1.992 17.673 4.255 1.00 0.00 C ATOM 0 H LEU A 10 6.302 18.994 2.456 1.00 0.00 H new ATOM 0 HA LEU A 10 6.050 16.616 3.923 1.00 0.00 H new ATOM 0 HB2 LEU A 10 4.862 18.774 4.331 1.00 0.00 H new ATOM 0 HB3 LEU A 10 3.890 18.487 2.901 1.00 0.00 H new ATOM 0 HG LEU A 10 3.489 16.155 4.293 1.00 0.00 H new ATOM 0 HD11 LEU A 10 2.998 16.793 6.621 1.00 0.00 H new ATOM 0 HD12 LEU A 10 4.727 16.969 6.238 1.00 0.00 H new ATOM 0 HD13 LEU A 10 3.682 18.407 6.318 1.00 0.00 H new ATOM 0 HD21 LEU A 10 1.288 17.106 4.864 1.00 0.00 H new ATOM 0 HD22 LEU A 10 1.899 18.734 4.486 1.00 0.00 H new ATOM 0 HD23 LEU A 10 1.772 17.511 3.200 1.00 0.00 H new ATOM 140 N ILE A 11 4.630 16.622 0.932 1.00 0.00 N ATOM 141 CA ILE A 11 4.095 15.741 -0.094 1.00 0.00 C ATOM 142 C ILE A 11 5.118 14.664 -0.433 1.00 0.00 C ATOM 143 O ILE A 11 4.819 13.472 -0.372 1.00 0.00 O ATOM 144 CB ILE A 11 3.728 16.516 -1.376 1.00 0.00 C ATOM 145 CG1 ILE A 11 2.827 17.705 -1.041 1.00 0.00 C ATOM 146 CG2 ILE A 11 3.048 15.594 -2.380 1.00 0.00 C ATOM 147 CD1 ILE A 11 1.573 17.322 -0.284 1.00 0.00 C ATOM 0 H ILE A 11 4.707 17.602 0.658 1.00 0.00 H new ATOM 0 HA ILE A 11 3.187 15.286 0.301 1.00 0.00 H new ATOM 0 HB ILE A 11 4.645 16.896 -1.826 1.00 0.00 H new ATOM 0 HG12 ILE A 11 3.393 18.424 -0.449 1.00 0.00 H new ATOM 0 HG13 ILE A 11 2.544 18.207 -1.966 1.00 0.00 H new ATOM 0 HG21 ILE A 11 2.796 16.157 -3.279 1.00 0.00 H new ATOM 0 HG22 ILE A 11 3.723 14.779 -2.640 1.00 0.00 H new ATOM 0 HG23 ILE A 11 2.138 15.186 -1.941 1.00 0.00 H new ATOM 0 HD11 ILE A 11 0.983 18.216 -0.081 1.00 0.00 H new ATOM 0 HD12 ILE A 11 0.984 16.627 -0.883 1.00 0.00 H new ATOM 0 HD13 ILE A 11 1.847 16.847 0.658 1.00 0.00 H new ATOM 159 N SER A 12 6.333 15.090 -0.784 1.00 0.00 N ATOM 160 CA SER A 12 7.403 14.161 -1.124 1.00 0.00 C ATOM 161 C SER A 12 7.565 13.102 -0.041 1.00 0.00 C ATOM 162 O SER A 12 7.916 11.963 -0.324 1.00 0.00 O ATOM 163 CB SER A 12 8.720 14.915 -1.321 1.00 0.00 C ATOM 164 OG SER A 12 9.155 15.509 -0.111 1.00 0.00 O ATOM 0 H SER A 12 6.597 16.074 -0.839 1.00 0.00 H new ATOM 0 HA SER A 12 7.137 13.663 -2.057 1.00 0.00 H new ATOM 0 HB2 SER A 12 9.484 14.229 -1.688 1.00 0.00 H new ATOM 0 HB3 SER A 12 8.591 15.685 -2.082 1.00 0.00 H new ATOM 0 HG SER A 12 8.381 15.689 0.462 1.00 0.00 H new ATOM 170 N ALA A 13 7.310 13.490 1.202 1.00 0.00 N ATOM 171 CA ALA A 13 7.428 12.561 2.318 1.00 0.00 C ATOM 172 C ALA A 13 6.334 11.506 2.248 1.00 0.00 C ATOM 173 O ALA A 13 6.596 10.314 2.393 1.00 0.00 O ATOM 174 CB ALA A 13 7.388 13.300 3.646 1.00 0.00 C ATOM 0 H ALA A 13 7.022 14.434 1.461 1.00 0.00 H new ATOM 0 HA ALA A 13 8.393 12.059 2.246 1.00 0.00 H new ATOM 0 HB1 ALA A 13 7.478 12.585 4.463 1.00 0.00 H new ATOM 0 HB2 ALA A 13 8.214 14.010 3.693 1.00 0.00 H new ATOM 0 HB3 ALA A 13 6.443 13.836 3.736 1.00 0.00 H new ATOM 180 N GLY A 14 5.115 11.951 1.979 1.00 0.00 N ATOM 181 CA GLY A 14 4.005 11.026 1.840 1.00 0.00 C ATOM 182 C GLY A 14 4.187 10.152 0.618 1.00 0.00 C ATOM 183 O GLY A 14 3.720 9.014 0.561 1.00 0.00 O ATOM 0 H GLY A 14 4.873 12.934 1.854 1.00 0.00 H new ATOM 0 HA2 GLY A 14 3.931 10.403 2.731 1.00 0.00 H new ATOM 0 HA3 GLY A 14 3.070 11.581 1.760 1.00 0.00 H new ATOM 187 N LEU A 15 4.891 10.711 -0.354 1.00 0.00 N ATOM 188 CA LEU A 15 5.172 10.018 -1.596 1.00 0.00 C ATOM 189 C LEU A 15 6.250 8.968 -1.400 1.00 0.00 C ATOM 190 O LEU A 15 6.020 7.787 -1.630 1.00 0.00 O ATOM 191 CB LEU A 15 5.570 11.006 -2.689 1.00 0.00 C ATOM 192 CG LEU A 15 4.472 11.326 -3.704 1.00 0.00 C ATOM 193 CD1 LEU A 15 3.469 12.307 -3.113 1.00 0.00 C ATOM 194 CD2 LEU A 15 5.076 11.885 -4.983 1.00 0.00 C ATOM 0 H LEU A 15 5.280 11.652 -0.302 1.00 0.00 H new ATOM 0 HA LEU A 15 4.261 9.510 -1.912 1.00 0.00 H new ATOM 0 HB2 LEU A 15 5.890 11.935 -2.218 1.00 0.00 H new ATOM 0 HB3 LEU A 15 6.432 10.606 -3.223 1.00 0.00 H new ATOM 0 HG LEU A 15 3.947 10.402 -3.947 1.00 0.00 H new ATOM 0 HD11 LEU A 15 2.695 12.523 -3.849 1.00 0.00 H new ATOM 0 HD12 LEU A 15 3.013 11.870 -2.224 1.00 0.00 H new ATOM 0 HD13 LEU A 15 3.980 13.231 -2.842 1.00 0.00 H new ATOM 0 HD21 LEU A 15 4.280 12.107 -5.694 1.00 0.00 H new ATOM 0 HD22 LEU A 15 5.626 12.798 -4.757 1.00 0.00 H new ATOM 0 HD23 LEU A 15 5.755 11.151 -5.416 1.00 0.00 H new ATOM 206 N LYS A 16 7.429 9.401 -0.991 1.00 0.00 N ATOM 207 CA LYS A 16 8.537 8.482 -0.782 1.00 0.00 C ATOM 208 C LYS A 16 8.189 7.446 0.279 1.00 0.00 C ATOM 209 O LYS A 16 8.570 6.282 0.169 1.00 0.00 O ATOM 210 CB LYS A 16 9.797 9.255 -0.383 1.00 0.00 C ATOM 211 CG LYS A 16 10.947 8.371 0.074 1.00 0.00 C ATOM 212 CD LYS A 16 12.062 9.189 0.708 1.00 0.00 C ATOM 213 CE LYS A 16 12.068 9.044 2.222 1.00 0.00 C ATOM 214 NZ LYS A 16 12.219 7.622 2.645 1.00 0.00 N ATOM 0 H LYS A 16 7.645 10.379 -0.797 1.00 0.00 H new ATOM 0 HA LYS A 16 8.729 7.957 -1.718 1.00 0.00 H new ATOM 0 HB2 LYS A 16 10.128 9.853 -1.232 1.00 0.00 H new ATOM 0 HB3 LYS A 16 9.546 9.950 0.418 1.00 0.00 H new ATOM 0 HG2 LYS A 16 10.580 7.637 0.791 1.00 0.00 H new ATOM 0 HG3 LYS A 16 11.341 7.816 -0.777 1.00 0.00 H new ATOM 0 HD2 LYS A 16 13.023 8.868 0.307 1.00 0.00 H new ATOM 0 HD3 LYS A 16 11.940 10.239 0.442 1.00 0.00 H new ATOM 0 HE2 LYS A 16 12.883 9.635 2.640 1.00 0.00 H new ATOM 0 HE3 LYS A 16 11.141 9.447 2.629 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 12.755 7.580 3.535 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 11.279 7.200 2.786 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 12.729 7.093 1.909 1.00 0.00 H new ATOM 228 N GLU A 17 7.458 7.870 1.299 1.00 0.00 N ATOM 229 CA GLU A 17 7.065 6.957 2.361 1.00 0.00 C ATOM 230 C GLU A 17 6.086 5.914 1.833 1.00 0.00 C ATOM 231 O GLU A 17 6.261 4.718 2.069 1.00 0.00 O ATOM 232 CB GLU A 17 6.490 7.713 3.566 1.00 0.00 C ATOM 233 CG GLU A 17 5.025 8.092 3.442 1.00 0.00 C ATOM 234 CD GLU A 17 4.475 8.673 4.733 1.00 0.00 C ATOM 235 OE1 GLU A 17 4.419 7.935 5.738 1.00 0.00 O ATOM 236 OE2 GLU A 17 4.104 9.865 4.740 1.00 0.00 O ATOM 0 H GLU A 17 7.128 8.828 1.414 1.00 0.00 H new ATOM 0 HA GLU A 17 7.957 6.436 2.709 1.00 0.00 H new ATOM 0 HB2 GLU A 17 6.617 7.098 4.457 1.00 0.00 H new ATOM 0 HB3 GLU A 17 7.074 8.621 3.719 1.00 0.00 H new ATOM 0 HG2 GLU A 17 4.905 8.818 2.638 1.00 0.00 H new ATOM 0 HG3 GLU A 17 4.445 7.212 3.165 1.00 0.00 H new ATOM 243 N PHE A 18 5.065 6.358 1.103 1.00 0.00 N ATOM 244 CA PHE A 18 4.094 5.425 0.544 1.00 0.00 C ATOM 245 C PHE A 18 4.758 4.537 -0.498 1.00 0.00 C ATOM 246 O PHE A 18 4.556 3.324 -0.518 1.00 0.00 O ATOM 247 CB PHE A 18 2.917 6.171 -0.085 1.00 0.00 C ATOM 248 CG PHE A 18 1.642 5.368 -0.126 1.00 0.00 C ATOM 249 CD1 PHE A 18 1.300 4.515 0.915 1.00 0.00 C ATOM 250 CD2 PHE A 18 0.786 5.465 -1.212 1.00 0.00 C ATOM 251 CE1 PHE A 18 0.131 3.777 0.872 1.00 0.00 C ATOM 252 CE2 PHE A 18 -0.384 4.729 -1.259 1.00 0.00 C ATOM 253 CZ PHE A 18 -0.711 3.885 -0.217 1.00 0.00 C ATOM 0 H PHE A 18 4.891 7.340 0.888 1.00 0.00 H new ATOM 0 HA PHE A 18 3.715 4.805 1.356 1.00 0.00 H new ATOM 0 HB2 PHE A 18 2.740 7.089 0.475 1.00 0.00 H new ATOM 0 HB3 PHE A 18 3.185 6.463 -1.100 1.00 0.00 H new ATOM 0 HD1 PHE A 18 1.955 4.427 1.769 1.00 0.00 H new ATOM 0 HD2 PHE A 18 1.036 6.123 -2.031 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -0.123 3.117 1.689 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -1.042 4.815 -2.111 1.00 0.00 H new ATOM 0 HZ PHE A 18 -1.624 3.310 -0.253 1.00 0.00 H new ATOM 263 N SER A 19 5.563 5.154 -1.356 1.00 0.00 N ATOM 264 CA SER A 19 6.273 4.428 -2.403 1.00 0.00 C ATOM 265 C SER A 19 7.133 3.325 -1.801 1.00 0.00 C ATOM 266 O SER A 19 7.050 2.166 -2.209 1.00 0.00 O ATOM 267 CB SER A 19 7.145 5.385 -3.218 1.00 0.00 C ATOM 268 OG SER A 19 6.355 6.359 -3.880 1.00 0.00 O ATOM 0 H SER A 19 5.741 6.158 -1.347 1.00 0.00 H new ATOM 0 HA SER A 19 5.535 3.974 -3.064 1.00 0.00 H new ATOM 0 HB2 SER A 19 7.861 5.879 -2.561 1.00 0.00 H new ATOM 0 HB3 SER A 19 7.722 4.821 -3.951 1.00 0.00 H new ATOM 0 HG SER A 19 6.185 7.110 -3.274 1.00 0.00 H new ATOM 274 N VAL A 20 7.951 3.690 -0.820 1.00 0.00 N ATOM 275 CA VAL A 20 8.814 2.727 -0.154 1.00 0.00 C ATOM 276 C VAL A 20 7.979 1.676 0.570 1.00 0.00 C ATOM 277 O VAL A 20 8.402 0.532 0.724 1.00 0.00 O ATOM 278 CB VAL A 20 9.760 3.411 0.852 1.00 0.00 C ATOM 279 CG1 VAL A 20 10.659 2.387 1.530 1.00 0.00 C ATOM 280 CG2 VAL A 20 10.593 4.478 0.159 1.00 0.00 C ATOM 0 H VAL A 20 8.033 4.645 -0.470 1.00 0.00 H new ATOM 0 HA VAL A 20 9.419 2.248 -0.923 1.00 0.00 H new ATOM 0 HB VAL A 20 9.153 3.891 1.619 1.00 0.00 H new ATOM 0 HG11 VAL A 20 11.318 2.892 2.236 1.00 0.00 H new ATOM 0 HG12 VAL A 20 10.046 1.660 2.063 1.00 0.00 H new ATOM 0 HG13 VAL A 20 11.258 1.874 0.778 1.00 0.00 H new ATOM 0 HG21 VAL A 20 11.255 4.951 0.884 1.00 0.00 H new ATOM 0 HG22 VAL A 20 11.188 4.019 -0.631 1.00 0.00 H new ATOM 0 HG23 VAL A 20 9.934 5.230 -0.274 1.00 0.00 H new ATOM 290 N LEU A 21 6.786 2.072 1.006 1.00 0.00 N ATOM 291 CA LEU A 21 5.891 1.159 1.706 1.00 0.00 C ATOM 292 C LEU A 21 5.340 0.109 0.744 1.00 0.00 C ATOM 293 O LEU A 21 5.307 -1.078 1.058 1.00 0.00 O ATOM 294 CB LEU A 21 4.744 1.945 2.352 1.00 0.00 C ATOM 295 CG LEU A 21 3.568 1.103 2.857 1.00 0.00 C ATOM 296 CD1 LEU A 21 3.954 0.340 4.115 1.00 0.00 C ATOM 297 CD2 LEU A 21 2.355 1.987 3.114 1.00 0.00 C ATOM 0 H LEU A 21 6.419 3.016 0.887 1.00 0.00 H new ATOM 0 HA LEU A 21 6.452 0.647 2.487 1.00 0.00 H new ATOM 0 HB2 LEU A 21 5.145 2.516 3.189 1.00 0.00 H new ATOM 0 HB3 LEU A 21 4.367 2.665 1.626 1.00 0.00 H new ATOM 0 HG LEU A 21 3.308 0.377 2.087 1.00 0.00 H new ATOM 0 HD11 LEU A 21 3.105 -0.251 4.457 1.00 0.00 H new ATOM 0 HD12 LEU A 21 4.792 -0.321 3.896 1.00 0.00 H new ATOM 0 HD13 LEU A 21 4.242 1.045 4.894 1.00 0.00 H new ATOM 0 HD21 LEU A 21 1.528 1.374 3.472 1.00 0.00 H new ATOM 0 HD22 LEU A 21 2.604 2.736 3.865 1.00 0.00 H new ATOM 0 HD23 LEU A 21 2.064 2.484 2.188 1.00 0.00 H new ATOM 309 N LEU A 22 4.898 0.558 -0.426 1.00 0.00 N ATOM 310 CA LEU A 22 4.341 -0.345 -1.427 1.00 0.00 C ATOM 311 C LEU A 22 5.406 -1.301 -1.961 1.00 0.00 C ATOM 312 O LEU A 22 5.140 -2.485 -2.170 1.00 0.00 O ATOM 313 CB LEU A 22 3.728 0.445 -2.590 1.00 0.00 C ATOM 314 CG LEU A 22 2.720 1.535 -2.201 1.00 0.00 C ATOM 315 CD1 LEU A 22 1.793 1.837 -3.368 1.00 0.00 C ATOM 316 CD2 LEU A 22 1.914 1.125 -0.974 1.00 0.00 C ATOM 0 H LEU A 22 4.914 1.539 -0.704 1.00 0.00 H new ATOM 0 HA LEU A 22 3.559 -0.930 -0.942 1.00 0.00 H new ATOM 0 HB2 LEU A 22 4.536 0.909 -3.155 1.00 0.00 H new ATOM 0 HB3 LEU A 22 3.234 -0.258 -3.261 1.00 0.00 H new ATOM 0 HG LEU A 22 3.277 2.438 -1.951 1.00 0.00 H new ATOM 0 HD11 LEU A 22 1.083 2.612 -3.078 1.00 0.00 H new ATOM 0 HD12 LEU A 22 2.380 2.183 -4.219 1.00 0.00 H new ATOM 0 HD13 LEU A 22 1.250 0.933 -3.645 1.00 0.00 H new ATOM 0 HD21 LEU A 22 1.208 1.916 -0.721 1.00 0.00 H new ATOM 0 HD22 LEU A 22 1.368 0.206 -1.188 1.00 0.00 H new ATOM 0 HD23 LEU A 22 2.589 0.959 -0.134 1.00 0.00 H new ATOM 328 N ASN A 23 6.607 -0.780 -2.188 1.00 0.00 N ATOM 329 CA ASN A 23 7.706 -1.588 -2.708 1.00 0.00 C ATOM 330 C ASN A 23 8.406 -2.367 -1.597 1.00 0.00 C ATOM 331 O ASN A 23 8.802 -3.517 -1.788 1.00 0.00 O ATOM 332 CB ASN A 23 8.717 -0.699 -3.435 1.00 0.00 C ATOM 333 CG ASN A 23 8.336 -0.454 -4.882 1.00 0.00 C ATOM 334 OD1 ASN A 23 8.756 -1.188 -5.778 1.00 0.00 O ATOM 335 ND2 ASN A 23 7.540 0.582 -5.118 1.00 0.00 N ATOM 0 H ASN A 23 6.845 0.198 -2.020 1.00 0.00 H new ATOM 0 HA ASN A 23 7.284 -2.307 -3.410 1.00 0.00 H new ATOM 0 HB2 ASN A 23 8.796 0.256 -2.916 1.00 0.00 H new ATOM 0 HB3 ASN A 23 9.701 -1.165 -3.395 1.00 0.00 H new ATOM 0 HD21 ASN A 23 7.252 0.797 -6.073 1.00 0.00 H new ATOM 0 HD22 ASN A 23 7.216 1.163 -4.345 1.00 0.00 H new ATOM 342 N GLN A 24 8.568 -1.730 -0.444 1.00 0.00 N ATOM 343 CA GLN A 24 9.234 -2.361 0.691 1.00 0.00 C ATOM 344 C GLN A 24 8.235 -2.807 1.755 1.00 0.00 C ATOM 345 O GLN A 24 8.602 -2.987 2.916 1.00 0.00 O ATOM 346 CB GLN A 24 10.253 -1.401 1.308 1.00 0.00 C ATOM 347 CG GLN A 24 11.358 -2.102 2.081 1.00 0.00 C ATOM 348 CD GLN A 24 11.412 -1.680 3.537 1.00 0.00 C ATOM 349 OE1 GLN A 24 11.429 -2.519 4.439 1.00 0.00 O ATOM 350 NE2 GLN A 24 11.440 -0.374 3.773 1.00 0.00 N ATOM 0 H GLN A 24 8.248 -0.777 -0.269 1.00 0.00 H new ATOM 0 HA GLN A 24 9.748 -3.247 0.318 1.00 0.00 H new ATOM 0 HB2 GLN A 24 10.700 -0.800 0.516 1.00 0.00 H new ATOM 0 HB3 GLN A 24 9.734 -0.713 1.975 1.00 0.00 H new ATOM 0 HG2 GLN A 24 11.208 -3.180 2.025 1.00 0.00 H new ATOM 0 HG3 GLN A 24 12.317 -1.889 1.609 1.00 0.00 H new ATOM 0 HE21 GLN A 24 11.424 0.285 2.995 1.00 0.00 H new ATOM 0 HE22 GLN A 24 11.477 -0.030 4.732 1.00 0.00 H new ATOM 359 N GLN A 25 6.974 -2.976 1.355 1.00 0.00 N ATOM 360 CA GLN A 25 5.917 -3.399 2.279 1.00 0.00 C ATOM 361 C GLN A 25 6.449 -4.394 3.305 1.00 0.00 C ATOM 362 O GLN A 25 6.293 -4.190 4.506 1.00 0.00 O ATOM 363 CB GLN A 25 4.753 -4.017 1.505 1.00 0.00 C ATOM 364 CG GLN A 25 3.394 -3.518 1.961 1.00 0.00 C ATOM 365 CD GLN A 25 3.010 -4.040 3.332 1.00 0.00 C ATOM 366 OE1 GLN A 25 2.236 -4.990 3.453 1.00 0.00 O ATOM 367 NE2 GLN A 25 3.551 -3.420 4.375 1.00 0.00 N ATOM 0 H GLN A 25 6.658 -2.827 0.397 1.00 0.00 H new ATOM 0 HA GLN A 25 5.563 -2.516 2.812 1.00 0.00 H new ATOM 0 HB2 GLN A 25 4.875 -3.798 0.444 1.00 0.00 H new ATOM 0 HB3 GLN A 25 4.789 -5.101 1.613 1.00 0.00 H new ATOM 0 HG2 GLN A 25 3.399 -2.428 1.980 1.00 0.00 H new ATOM 0 HG3 GLN A 25 2.638 -3.821 1.236 1.00 0.00 H new ATOM 0 HE21 GLN A 25 4.188 -2.637 4.229 1.00 0.00 H new ATOM 0 HE22 GLN A 25 3.330 -3.727 5.322 1.00 0.00 H new ATOM 376 N VAL A 26 7.072 -5.462 2.798 1.00 0.00 N ATOM 377 CA VAL A 26 7.661 -6.538 3.611 1.00 0.00 C ATOM 378 C VAL A 26 7.033 -7.880 3.252 1.00 0.00 C ATOM 379 O VAL A 26 5.864 -8.132 3.545 1.00 0.00 O ATOM 380 CB VAL A 26 7.535 -6.307 5.138 1.00 0.00 C ATOM 381 CG1 VAL A 26 7.893 -7.569 5.914 1.00 0.00 C ATOM 382 CG2 VAL A 26 8.424 -5.150 5.575 1.00 0.00 C ATOM 0 H VAL A 26 7.185 -5.609 1.795 1.00 0.00 H new ATOM 0 HA VAL A 26 8.725 -6.538 3.376 1.00 0.00 H new ATOM 0 HB VAL A 26 6.497 -6.056 5.357 1.00 0.00 H new ATOM 0 HG11 VAL A 26 7.796 -7.379 6.983 1.00 0.00 H new ATOM 0 HG12 VAL A 26 7.219 -8.376 5.627 1.00 0.00 H new ATOM 0 HG13 VAL A 26 8.920 -7.856 5.688 1.00 0.00 H new ATOM 0 HG21 VAL A 26 8.324 -5.000 6.650 1.00 0.00 H new ATOM 0 HG22 VAL A 26 9.462 -5.378 5.335 1.00 0.00 H new ATOM 0 HG23 VAL A 26 8.122 -4.242 5.053 1.00 0.00 H new ATOM 392 N PHE A 27 7.829 -8.744 2.631 1.00 0.00 N ATOM 393 CA PHE A 27 7.371 -10.072 2.245 1.00 0.00 C ATOM 394 C PHE A 27 7.908 -11.101 3.228 1.00 0.00 C ATOM 395 O PHE A 27 9.111 -11.178 3.476 1.00 0.00 O ATOM 396 CB PHE A 27 7.802 -10.401 0.808 1.00 0.00 C ATOM 397 CG PHE A 27 7.181 -9.514 -0.254 1.00 0.00 C ATOM 398 CD1 PHE A 27 6.337 -8.462 0.085 1.00 0.00 C ATOM 399 CD2 PHE A 27 7.448 -9.735 -1.599 1.00 0.00 C ATOM 400 CE1 PHE A 27 5.778 -7.658 -0.890 1.00 0.00 C ATOM 401 CE2 PHE A 27 6.890 -8.932 -2.576 1.00 0.00 C ATOM 402 CZ PHE A 27 6.055 -7.892 -2.221 1.00 0.00 C ATOM 0 H PHE A 27 8.799 -8.546 2.384 1.00 0.00 H new ATOM 0 HA PHE A 27 6.282 -10.096 2.273 1.00 0.00 H new ATOM 0 HB2 PHE A 27 8.887 -10.322 0.741 1.00 0.00 H new ATOM 0 HB3 PHE A 27 7.544 -11.438 0.593 1.00 0.00 H new ATOM 0 HD1 PHE A 27 6.115 -8.271 1.125 1.00 0.00 H new ATOM 0 HD2 PHE A 27 8.101 -10.546 -1.886 1.00 0.00 H new ATOM 0 HE1 PHE A 27 5.124 -6.846 -0.610 1.00 0.00 H new ATOM 0 HE2 PHE A 27 7.107 -9.118 -3.617 1.00 0.00 H new ATOM 0 HZ PHE A 27 5.620 -7.263 -2.983 1.00 0.00 H new ATOM 452 N LEU A 31 3.020 -15.628 4.373 1.00 0.00 N ATOM 453 CA LEU A 31 2.563 -14.294 4.004 1.00 0.00 C ATOM 454 C LEU A 31 1.130 -14.031 4.450 1.00 0.00 C ATOM 455 O LEU A 31 0.363 -14.953 4.722 1.00 0.00 O ATOM 456 CB LEU A 31 2.686 -14.101 2.493 1.00 0.00 C ATOM 457 CG LEU A 31 3.956 -14.692 1.873 1.00 0.00 C ATOM 458 CD1 LEU A 31 3.626 -15.925 1.045 1.00 0.00 C ATOM 459 CD2 LEU A 31 4.673 -13.652 1.026 1.00 0.00 C ATOM 0 HA LEU A 31 3.200 -13.576 4.520 1.00 0.00 H new ATOM 0 HB2 LEU A 31 1.819 -14.553 2.011 1.00 0.00 H new ATOM 0 HB3 LEU A 31 2.653 -13.034 2.273 1.00 0.00 H new ATOM 0 HG LEU A 31 4.623 -14.993 2.681 1.00 0.00 H new ATOM 0 HD11 LEU A 31 4.542 -16.329 0.614 1.00 0.00 H new ATOM 0 HD12 LEU A 31 3.162 -16.678 1.682 1.00 0.00 H new ATOM 0 HD13 LEU A 31 2.938 -15.653 0.245 1.00 0.00 H new ATOM 0 HD21 LEU A 31 5.572 -14.091 0.595 1.00 0.00 H new ATOM 0 HD22 LEU A 31 4.013 -13.317 0.226 1.00 0.00 H new ATOM 0 HD23 LEU A 31 4.948 -12.802 1.650 1.00 0.00 H new ATOM 471 N VAL A 32 0.791 -12.749 4.514 1.00 0.00 N ATOM 472 CA VAL A 32 -0.535 -12.305 4.917 1.00 0.00 C ATOM 473 C VAL A 32 -1.522 -12.408 3.757 1.00 0.00 C ATOM 474 O VAL A 32 -1.120 -12.454 2.596 1.00 0.00 O ATOM 475 CB VAL A 32 -0.498 -10.856 5.437 1.00 0.00 C ATOM 476 CG1 VAL A 32 -0.065 -9.896 4.338 1.00 0.00 C ATOM 477 CG2 VAL A 32 -1.852 -10.461 5.998 1.00 0.00 C ATOM 0 H VAL A 32 1.430 -11.987 4.287 1.00 0.00 H new ATOM 0 HA VAL A 32 -0.868 -12.960 5.722 1.00 0.00 H new ATOM 0 HB VAL A 32 0.237 -10.798 6.240 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -0.047 -8.879 4.730 1.00 0.00 H new ATOM 0 HG12 VAL A 32 0.931 -10.168 3.989 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -0.769 -9.952 3.508 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -1.810 -9.434 6.362 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -2.607 -10.538 5.215 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -2.113 -11.127 6.821 1.00 0.00 H new ATOM 487 N SER A 33 -2.812 -12.479 4.075 1.00 0.00 N ATOM 488 CA SER A 33 -3.840 -12.614 3.048 1.00 0.00 C ATOM 489 C SER A 33 -4.146 -11.280 2.379 1.00 0.00 C ATOM 490 O SER A 33 -3.663 -10.229 2.800 1.00 0.00 O ATOM 491 CB SER A 33 -5.117 -13.197 3.655 1.00 0.00 C ATOM 492 OG SER A 33 -4.827 -14.311 4.482 1.00 0.00 O ATOM 0 H SER A 33 -3.169 -12.446 5.030 1.00 0.00 H new ATOM 0 HA SER A 33 -3.457 -13.291 2.285 1.00 0.00 H new ATOM 0 HB2 SER A 33 -5.629 -12.431 4.238 1.00 0.00 H new ATOM 0 HB3 SER A 33 -5.797 -13.499 2.858 1.00 0.00 H new ATOM 0 HG SER A 33 -5.660 -14.664 4.859 1.00 0.00 H new ATOM 498 N GLU A 34 -4.939 -11.344 1.312 1.00 0.00 N ATOM 499 CA GLU A 34 -5.304 -10.160 0.543 1.00 0.00 C ATOM 500 C GLU A 34 -6.231 -9.235 1.326 1.00 0.00 C ATOM 501 O GLU A 34 -6.125 -8.015 1.227 1.00 0.00 O ATOM 502 CB GLU A 34 -5.967 -10.570 -0.774 1.00 0.00 C ATOM 503 CG GLU A 34 -5.030 -10.517 -1.970 1.00 0.00 C ATOM 504 CD GLU A 34 -5.219 -11.691 -2.910 1.00 0.00 C ATOM 505 OE1 GLU A 34 -5.393 -12.825 -2.417 1.00 0.00 O ATOM 506 OE2 GLU A 34 -5.195 -11.477 -4.140 1.00 0.00 O ATOM 0 H GLU A 34 -5.343 -12.212 0.959 1.00 0.00 H new ATOM 0 HA GLU A 34 -4.386 -9.610 0.334 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -6.358 -11.582 -0.674 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -6.819 -9.916 -0.961 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -5.196 -9.588 -2.516 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -3.998 -10.500 -1.618 1.00 0.00 H new ATOM 513 N GLU A 35 -7.142 -9.816 2.095 1.00 0.00 N ATOM 514 CA GLU A 35 -8.084 -9.028 2.882 1.00 0.00 C ATOM 515 C GLU A 35 -7.358 -8.196 3.931 1.00 0.00 C ATOM 516 O GLU A 35 -7.774 -7.082 4.256 1.00 0.00 O ATOM 517 CB GLU A 35 -9.111 -9.941 3.557 1.00 0.00 C ATOM 518 CG GLU A 35 -9.942 -10.752 2.576 1.00 0.00 C ATOM 519 CD GLU A 35 -9.442 -12.175 2.426 1.00 0.00 C ATOM 520 OE1 GLU A 35 -9.337 -12.879 3.452 1.00 0.00 O ATOM 521 OE2 GLU A 35 -9.156 -12.587 1.282 1.00 0.00 O ATOM 0 H GLU A 35 -7.250 -10.826 2.191 1.00 0.00 H new ATOM 0 HA GLU A 35 -8.603 -8.350 2.204 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -8.592 -10.623 4.231 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -9.777 -9.334 4.170 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -10.979 -10.769 2.911 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -9.929 -10.262 1.603 1.00 0.00 H new ATOM 528 N ASP A 36 -6.259 -8.734 4.443 1.00 0.00 N ATOM 529 CA ASP A 36 -5.471 -8.026 5.441 1.00 0.00 C ATOM 530 C ASP A 36 -4.689 -6.901 4.783 1.00 0.00 C ATOM 531 O ASP A 36 -4.575 -5.804 5.332 1.00 0.00 O ATOM 532 CB ASP A 36 -4.522 -8.981 6.163 1.00 0.00 C ATOM 533 CG ASP A 36 -4.806 -9.064 7.649 1.00 0.00 C ATOM 534 OD1 ASP A 36 -5.885 -9.574 8.021 1.00 0.00 O ATOM 535 OD2 ASP A 36 -3.950 -8.621 8.443 1.00 0.00 O ATOM 0 H ASP A 36 -5.895 -9.652 4.186 1.00 0.00 H new ATOM 0 HA ASP A 36 -6.151 -7.601 6.180 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -4.607 -9.975 5.724 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -3.494 -8.652 6.010 1.00 0.00 H new ATOM 540 N MET A 37 -4.167 -7.173 3.592 1.00 0.00 N ATOM 541 CA MET A 37 -3.414 -6.175 2.850 1.00 0.00 C ATOM 542 C MET A 37 -4.340 -5.051 2.408 1.00 0.00 C ATOM 543 O MET A 37 -4.013 -3.872 2.543 1.00 0.00 O ATOM 544 CB MET A 37 -2.738 -6.806 1.632 1.00 0.00 C ATOM 545 CG MET A 37 -1.676 -5.920 1.007 1.00 0.00 C ATOM 546 SD MET A 37 -0.353 -5.508 2.162 1.00 0.00 S ATOM 547 CE MET A 37 1.033 -6.341 1.395 1.00 0.00 C ATOM 0 H MET A 37 -4.252 -8.075 3.123 1.00 0.00 H new ATOM 0 HA MET A 37 -2.641 -5.768 3.501 1.00 0.00 H new ATOM 0 HB2 MET A 37 -2.284 -7.752 1.927 1.00 0.00 H new ATOM 0 HB3 MET A 37 -3.496 -7.036 0.883 1.00 0.00 H new ATOM 0 HG2 MET A 37 -1.252 -6.424 0.139 1.00 0.00 H new ATOM 0 HG3 MET A 37 -2.139 -5.001 0.648 1.00 0.00 H new ATOM 0 HE1 MET A 37 1.408 -7.116 2.064 1.00 0.00 H new ATOM 0 HE2 MET A 37 0.711 -6.795 0.458 1.00 0.00 H new ATOM 0 HE3 MET A 37 1.826 -5.620 1.195 1.00 0.00 H new ATOM 557 N VAL A 38 -5.505 -5.427 1.886 1.00 0.00 N ATOM 558 CA VAL A 38 -6.485 -4.453 1.434 1.00 0.00 C ATOM 559 C VAL A 38 -6.902 -3.543 2.578 1.00 0.00 C ATOM 560 O VAL A 38 -6.990 -2.326 2.414 1.00 0.00 O ATOM 561 CB VAL A 38 -7.734 -5.136 0.839 1.00 0.00 C ATOM 562 CG1 VAL A 38 -8.725 -4.100 0.329 1.00 0.00 C ATOM 563 CG2 VAL A 38 -7.338 -6.096 -0.272 1.00 0.00 C ATOM 0 H VAL A 38 -5.790 -6.399 1.767 1.00 0.00 H new ATOM 0 HA VAL A 38 -6.012 -3.860 0.652 1.00 0.00 H new ATOM 0 HB VAL A 38 -8.220 -5.708 1.629 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -9.598 -4.605 -0.086 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -9.035 -3.457 1.153 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -8.253 -3.495 -0.445 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -8.231 -6.569 -0.680 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -6.825 -5.547 -1.062 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -6.673 -6.861 0.128 1.00 0.00 H new ATOM 573 N THR A 39 -7.153 -4.134 3.743 1.00 0.00 N ATOM 574 CA THR A 39 -7.550 -3.363 4.909 1.00 0.00 C ATOM 575 C THR A 39 -6.453 -2.368 5.288 1.00 0.00 C ATOM 576 O THR A 39 -6.727 -1.193 5.536 1.00 0.00 O ATOM 577 CB THR A 39 -7.854 -4.310 6.077 1.00 0.00 C ATOM 578 OG1 THR A 39 -9.200 -4.748 6.026 1.00 0.00 O ATOM 579 CG2 THR A 39 -7.627 -3.694 7.440 1.00 0.00 C ATOM 0 H THR A 39 -7.088 -5.140 3.901 1.00 0.00 H new ATOM 0 HA THR A 39 -8.452 -2.798 4.674 1.00 0.00 H new ATOM 0 HB THR A 39 -7.156 -5.139 5.957 1.00 0.00 H new ATOM 0 HG1 THR A 39 -9.376 -5.352 6.777 1.00 0.00 H new ATOM 0 HG21 THR A 39 -7.863 -4.425 8.213 1.00 0.00 H new ATOM 0 HG22 THR A 39 -6.584 -3.391 7.533 1.00 0.00 H new ATOM 0 HG23 THR A 39 -8.270 -2.821 7.557 1.00 0.00 H new ATOM 587 N VAL A 40 -5.213 -2.845 5.326 1.00 0.00 N ATOM 588 CA VAL A 40 -4.079 -1.996 5.669 1.00 0.00 C ATOM 589 C VAL A 40 -3.967 -0.822 4.702 1.00 0.00 C ATOM 590 O VAL A 40 -3.742 0.316 5.115 1.00 0.00 O ATOM 591 CB VAL A 40 -2.756 -2.787 5.657 1.00 0.00 C ATOM 592 CG1 VAL A 40 -1.601 -1.910 6.115 1.00 0.00 C ATOM 593 CG2 VAL A 40 -2.869 -4.030 6.529 1.00 0.00 C ATOM 0 H VAL A 40 -4.969 -3.814 5.124 1.00 0.00 H new ATOM 0 HA VAL A 40 -4.256 -1.621 6.677 1.00 0.00 H new ATOM 0 HB VAL A 40 -2.555 -3.104 4.634 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -0.677 -2.488 6.099 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -1.506 -1.055 5.446 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -1.791 -1.558 7.129 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -1.926 -4.576 6.508 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -3.096 -3.736 7.554 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -3.666 -4.669 6.150 1.00 0.00 H new ATOM 603 N VAL A 41 -4.131 -1.106 3.414 1.00 0.00 N ATOM 604 CA VAL A 41 -4.052 -0.072 2.391 1.00 0.00 C ATOM 605 C VAL A 41 -5.189 0.933 2.546 1.00 0.00 C ATOM 606 O VAL A 41 -4.971 2.144 2.498 1.00 0.00 O ATOM 607 CB VAL A 41 -4.096 -0.672 0.973 1.00 0.00 C ATOM 608 CG1 VAL A 41 -3.744 0.383 -0.065 1.00 0.00 C ATOM 609 CG2 VAL A 41 -3.159 -1.868 0.867 1.00 0.00 C ATOM 0 H VAL A 41 -4.319 -2.042 3.055 1.00 0.00 H new ATOM 0 HA VAL A 41 -3.097 0.436 2.526 1.00 0.00 H new ATOM 0 HB VAL A 41 -5.111 -1.017 0.777 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -3.780 -0.060 -1.060 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -4.459 1.204 -0.006 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -2.740 0.762 0.127 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -3.205 -2.278 -0.142 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -2.139 -1.551 1.084 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -3.462 -2.632 1.583 1.00 0.00 H new ATOM 619 N GLU A 42 -6.404 0.424 2.737 1.00 0.00 N ATOM 620 CA GLU A 42 -7.573 1.281 2.903 1.00 0.00 C ATOM 621 C GLU A 42 -7.379 2.230 4.083 1.00 0.00 C ATOM 622 O GLU A 42 -7.654 3.427 3.985 1.00 0.00 O ATOM 623 CB GLU A 42 -8.830 0.433 3.111 1.00 0.00 C ATOM 624 CG GLU A 42 -9.785 0.465 1.929 1.00 0.00 C ATOM 625 CD GLU A 42 -10.427 -0.882 1.660 1.00 0.00 C ATOM 626 OE1 GLU A 42 -11.148 -1.384 2.548 1.00 0.00 O ATOM 627 OE2 GLU A 42 -10.209 -1.435 0.561 1.00 0.00 O ATOM 0 H GLU A 42 -6.603 -0.575 2.780 1.00 0.00 H new ATOM 0 HA GLU A 42 -7.695 1.874 1.996 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -8.535 -0.599 3.302 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -9.353 0.785 4.000 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -10.564 1.204 2.117 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -9.245 0.790 1.040 1.00 0.00 H new ATOM 634 N ASP A 43 -6.892 1.687 5.194 1.00 0.00 N ATOM 635 CA ASP A 43 -6.649 2.484 6.389 1.00 0.00 C ATOM 636 C ASP A 43 -5.530 3.488 6.142 1.00 0.00 C ATOM 637 O ASP A 43 -5.624 4.648 6.542 1.00 0.00 O ATOM 638 CB ASP A 43 -6.291 1.579 7.569 1.00 0.00 C ATOM 639 CG ASP A 43 -6.898 2.058 8.873 1.00 0.00 C ATOM 640 OD1 ASP A 43 -6.276 2.913 9.538 1.00 0.00 O ATOM 641 OD2 ASP A 43 -7.996 1.581 9.227 1.00 0.00 O ATOM 0 H ASP A 43 -6.658 0.699 5.291 1.00 0.00 H new ATOM 0 HA ASP A 43 -7.561 3.030 6.629 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -6.635 0.565 7.363 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -5.207 1.533 7.672 1.00 0.00 H new ATOM 646 N TRP A 44 -4.477 3.033 5.471 1.00 0.00 N ATOM 647 CA TRP A 44 -3.335 3.885 5.155 1.00 0.00 C ATOM 648 C TRP A 44 -3.760 5.064 4.284 1.00 0.00 C ATOM 649 O TRP A 44 -3.266 6.181 4.446 1.00 0.00 O ATOM 650 CB TRP A 44 -2.267 3.075 4.411 1.00 0.00 C ATOM 651 CG TRP A 44 -1.317 2.340 5.305 1.00 0.00 C ATOM 652 CD1 TRP A 44 -1.059 2.591 6.623 1.00 0.00 C ATOM 653 CD2 TRP A 44 -0.490 1.229 4.938 1.00 0.00 C ATOM 654 NE1 TRP A 44 -0.121 1.703 7.096 1.00 0.00 N ATOM 655 CE2 TRP A 44 0.243 0.857 6.081 1.00 0.00 C ATOM 656 CE3 TRP A 44 -0.300 0.513 3.752 1.00 0.00 C ATOM 657 CZ2 TRP A 44 1.152 -0.199 6.070 1.00 0.00 C ATOM 658 CZ3 TRP A 44 0.603 -0.535 3.745 1.00 0.00 C ATOM 659 CH2 TRP A 44 1.318 -0.882 4.896 1.00 0.00 C ATOM 0 H TRP A 44 -4.390 2.074 5.134 1.00 0.00 H new ATOM 0 HA TRP A 44 -2.928 4.264 6.092 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -2.762 2.357 3.758 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -1.698 3.749 3.771 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -1.523 3.372 7.207 1.00 0.00 H new ATOM 0 HE1 TRP A 44 0.244 1.678 8.048 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -0.848 0.773 2.858 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 1.706 -0.469 6.957 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 0.759 -1.095 2.835 1.00 0.00 H new ATOM 0 HH2 TRP A 44 2.015 -1.706 4.857 1.00 0.00 H new ATOM 670 N MET A 45 -4.665 4.800 3.348 1.00 0.00 N ATOM 671 CA MET A 45 -5.144 5.828 2.429 1.00 0.00 C ATOM 672 C MET A 45 -6.036 6.853 3.123 1.00 0.00 C ATOM 673 O MET A 45 -5.913 8.052 2.874 1.00 0.00 O ATOM 674 CB MET A 45 -5.899 5.186 1.264 1.00 0.00 C ATOM 675 CG MET A 45 -5.002 4.428 0.299 1.00 0.00 C ATOM 676 SD MET A 45 -5.693 4.337 -1.365 1.00 0.00 S ATOM 677 CE MET A 45 -6.898 3.029 -1.161 1.00 0.00 C ATOM 0 H MET A 45 -5.083 3.881 3.205 1.00 0.00 H new ATOM 0 HA MET A 45 -4.268 6.356 2.052 1.00 0.00 H new ATOM 0 HB2 MET A 45 -6.650 4.503 1.661 1.00 0.00 H new ATOM 0 HB3 MET A 45 -6.433 5.963 0.716 1.00 0.00 H new ATOM 0 HG2 MET A 45 -4.027 4.914 0.257 1.00 0.00 H new ATOM 0 HG3 MET A 45 -4.839 3.418 0.677 1.00 0.00 H new ATOM 0 HE1 MET A 45 -7.518 2.963 -2.055 1.00 0.00 H new ATOM 0 HE2 MET A 45 -6.383 2.081 -1.006 1.00 0.00 H new ATOM 0 HE3 MET A 45 -7.528 3.246 -0.298 1.00 0.00 H new ATOM 687 N ASN A 46 -6.928 6.392 3.993 1.00 0.00 N ATOM 688 CA ASN A 46 -7.818 7.301 4.706 1.00 0.00 C ATOM 689 C ASN A 46 -7.042 8.086 5.754 1.00 0.00 C ATOM 690 O ASN A 46 -7.257 9.285 5.932 1.00 0.00 O ATOM 691 CB ASN A 46 -8.959 6.523 5.365 1.00 0.00 C ATOM 692 CG ASN A 46 -10.274 6.688 4.628 1.00 0.00 C ATOM 693 OD1 ASN A 46 -10.989 7.670 4.824 1.00 0.00 O ATOM 694 ND2 ASN A 46 -10.599 5.724 3.774 1.00 0.00 N ATOM 0 H ASN A 46 -7.054 5.406 4.220 1.00 0.00 H new ATOM 0 HA ASN A 46 -8.244 8.002 3.989 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -8.698 5.465 5.405 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -9.078 6.861 6.395 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -11.472 5.780 3.249 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -9.976 4.927 3.643 1.00 0.00 H new ATOM 701 N PHE A 47 -6.130 7.406 6.437 1.00 0.00 N ATOM 702 CA PHE A 47 -5.315 8.049 7.456 1.00 0.00 C ATOM 703 C PHE A 47 -4.437 9.121 6.822 1.00 0.00 C ATOM 704 O PHE A 47 -4.239 10.189 7.395 1.00 0.00 O ATOM 705 CB PHE A 47 -4.452 7.013 8.195 1.00 0.00 C ATOM 706 CG PHE A 47 -2.997 7.387 8.301 1.00 0.00 C ATOM 707 CD1 PHE A 47 -2.545 8.183 9.341 1.00 0.00 C ATOM 708 CD2 PHE A 47 -2.087 6.950 7.352 1.00 0.00 C ATOM 709 CE1 PHE A 47 -1.211 8.534 9.435 1.00 0.00 C ATOM 710 CE2 PHE A 47 -0.753 7.300 7.439 1.00 0.00 C ATOM 711 CZ PHE A 47 -0.314 8.093 8.482 1.00 0.00 C ATOM 0 H PHE A 47 -5.938 6.413 6.304 1.00 0.00 H new ATOM 0 HA PHE A 47 -5.975 8.521 8.184 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -4.853 6.871 9.198 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -4.533 6.055 7.681 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -3.243 8.533 10.087 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -2.424 6.329 6.535 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -0.871 9.152 10.253 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -0.054 6.954 6.692 1.00 0.00 H new ATOM 0 HZ PHE A 47 0.728 8.367 8.552 1.00 0.00 H new ATOM 721 N TYR A 48 -3.909 8.826 5.638 1.00 0.00 N ATOM 722 CA TYR A 48 -3.046 9.767 4.937 1.00 0.00 C ATOM 723 C TYR A 48 -3.821 11.004 4.507 1.00 0.00 C ATOM 724 O TYR A 48 -3.380 12.131 4.724 1.00 0.00 O ATOM 725 CB TYR A 48 -2.424 9.105 3.704 1.00 0.00 C ATOM 726 CG TYR A 48 -1.073 8.468 3.944 1.00 0.00 C ATOM 727 CD1 TYR A 48 -0.093 9.113 4.688 1.00 0.00 C ATOM 728 CD2 TYR A 48 -0.775 7.221 3.408 1.00 0.00 C ATOM 729 CE1 TYR A 48 1.144 8.530 4.893 1.00 0.00 C ATOM 730 CE2 TYR A 48 0.457 6.633 3.611 1.00 0.00 C ATOM 731 CZ TYR A 48 1.413 7.291 4.352 1.00 0.00 C ATOM 732 OH TYR A 48 2.641 6.705 4.554 1.00 0.00 O ATOM 0 H TYR A 48 -4.064 7.946 5.146 1.00 0.00 H new ATOM 0 HA TYR A 48 -2.256 10.068 5.625 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -3.109 8.343 3.333 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -2.323 9.854 2.918 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -0.300 10.084 5.113 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -1.520 6.703 2.823 1.00 0.00 H new ATOM 0 HE1 TYR A 48 1.896 9.043 5.474 1.00 0.00 H new ATOM 0 HE2 TYR A 48 0.670 5.661 3.191 1.00 0.00 H new ATOM 0 HH TYR A 48 2.969 6.934 5.448 1.00 0.00 H new ATOM 742 N ILE A 49 -4.974 10.786 3.889 1.00 0.00 N ATOM 743 CA ILE A 49 -5.799 11.888 3.422 1.00 0.00 C ATOM 744 C ILE A 49 -6.161 12.822 4.578 1.00 0.00 C ATOM 745 O ILE A 49 -5.882 14.021 4.532 1.00 0.00 O ATOM 746 CB ILE A 49 -7.079 11.349 2.730 1.00 0.00 C ATOM 747 CG1 ILE A 49 -6.911 11.375 1.209 1.00 0.00 C ATOM 748 CG2 ILE A 49 -8.322 12.128 3.141 1.00 0.00 C ATOM 749 CD1 ILE A 49 -6.591 12.746 0.657 1.00 0.00 C ATOM 0 H ILE A 49 -5.357 9.859 3.701 1.00 0.00 H new ATOM 0 HA ILE A 49 -5.227 12.461 2.692 1.00 0.00 H new ATOM 0 HB ILE A 49 -7.219 10.319 3.057 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -6.115 10.685 0.928 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -7.827 11.011 0.745 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -9.194 11.716 2.633 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -8.460 12.050 4.219 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -8.202 13.176 2.865 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -6.486 12.687 -0.426 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -7.397 13.436 0.906 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -5.659 13.105 1.093 1.00 0.00 H new ATOM 761 N ASN A 50 -6.763 12.263 5.621 1.00 0.00 N ATOM 762 CA ASN A 50 -7.149 13.048 6.787 1.00 0.00 C ATOM 763 C ASN A 50 -5.925 13.640 7.474 1.00 0.00 C ATOM 764 O ASN A 50 -5.956 14.774 7.954 1.00 0.00 O ATOM 765 CB ASN A 50 -7.935 12.182 7.773 1.00 0.00 C ATOM 766 CG ASN A 50 -8.864 12.999 8.647 1.00 0.00 C ATOM 767 OD1 ASN A 50 -9.562 13.892 8.165 1.00 0.00 O ATOM 768 ND2 ASN A 50 -8.876 12.699 9.940 1.00 0.00 N ATOM 0 H ASN A 50 -6.994 11.271 5.683 1.00 0.00 H new ATOM 0 HA ASN A 50 -7.783 13.867 6.449 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -8.516 11.444 7.220 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -7.238 11.631 8.404 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -9.481 13.217 10.578 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -8.281 11.951 10.296 1.00 0.00 H new ATOM 775 N TYR A 51 -4.853 12.859 7.527 1.00 0.00 N ATOM 776 CA TYR A 51 -3.618 13.291 8.165 1.00 0.00 C ATOM 777 C TYR A 51 -3.014 14.502 7.459 1.00 0.00 C ATOM 778 O TYR A 51 -2.583 15.457 8.104 1.00 0.00 O ATOM 779 CB TYR A 51 -2.622 12.129 8.168 1.00 0.00 C ATOM 780 CG TYR A 51 -1.227 12.493 8.620 1.00 0.00 C ATOM 781 CD1 TYR A 51 -1.010 13.484 9.568 1.00 0.00 C ATOM 782 CD2 TYR A 51 -0.125 11.837 8.092 1.00 0.00 C ATOM 783 CE1 TYR A 51 0.269 13.809 9.977 1.00 0.00 C ATOM 784 CE2 TYR A 51 1.155 12.155 8.494 1.00 0.00 C ATOM 785 CZ TYR A 51 1.348 13.141 9.437 1.00 0.00 C ATOM 786 OH TYR A 51 2.623 13.461 9.842 1.00 0.00 O ATOM 0 H TYR A 51 -4.815 11.919 7.133 1.00 0.00 H new ATOM 0 HA TYR A 51 -3.844 13.590 9.189 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -3.005 11.342 8.817 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -2.566 11.714 7.162 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -1.854 14.009 9.992 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -0.272 11.063 7.353 1.00 0.00 H new ATOM 0 HE1 TYR A 51 0.423 14.582 10.715 1.00 0.00 H new ATOM 0 HE2 TYR A 51 2.002 11.634 8.072 1.00 0.00 H new ATOM 0 HH TYR A 51 2.921 14.270 9.376 1.00 0.00 H new ATOM 796 N TYR A 52 -2.963 14.440 6.137 1.00 0.00 N ATOM 797 CA TYR A 52 -2.383 15.514 5.336 1.00 0.00 C ATOM 798 C TYR A 52 -3.243 16.772 5.333 1.00 0.00 C ATOM 799 O TYR A 52 -2.715 17.880 5.227 1.00 0.00 O ATOM 800 CB TYR A 52 -2.146 15.028 3.911 1.00 0.00 C ATOM 801 CG TYR A 52 -1.004 14.052 3.819 1.00 0.00 C ATOM 802 CD1 TYR A 52 0.251 14.390 4.301 1.00 0.00 C ATOM 803 CD2 TYR A 52 -1.182 12.789 3.275 1.00 0.00 C ATOM 804 CE1 TYR A 52 1.301 13.501 4.241 1.00 0.00 C ATOM 805 CE2 TYR A 52 -0.139 11.889 3.216 1.00 0.00 C ATOM 806 CZ TYR A 52 1.101 12.250 3.698 1.00 0.00 C ATOM 807 OH TYR A 52 2.140 11.353 3.652 1.00 0.00 O ATOM 0 H TYR A 52 -3.317 13.654 5.592 1.00 0.00 H new ATOM 0 HA TYR A 52 -1.432 15.784 5.794 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -3.054 14.557 3.535 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -1.941 15.884 3.268 1.00 0.00 H new ATOM 0 HD1 TYR A 52 0.408 15.368 4.731 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -2.151 12.506 2.892 1.00 0.00 H new ATOM 0 HE1 TYR A 52 2.274 13.782 4.617 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -0.293 10.907 2.794 1.00 0.00 H new ATOM 0 HH TYR A 52 1.844 10.491 4.012 1.00 0.00 H new ATOM 817 N ARG A 53 -4.556 16.620 5.455 1.00 0.00 N ATOM 818 CA ARG A 53 -5.432 17.788 5.467 1.00 0.00 C ATOM 819 C ARG A 53 -5.107 18.705 6.646 1.00 0.00 C ATOM 820 O ARG A 53 -5.495 19.873 6.654 1.00 0.00 O ATOM 821 CB ARG A 53 -6.905 17.378 5.531 1.00 0.00 C ATOM 822 CG ARG A 53 -7.268 16.234 4.601 1.00 0.00 C ATOM 823 CD ARG A 53 -8.451 16.583 3.708 1.00 0.00 C ATOM 824 NE ARG A 53 -9.556 15.642 3.872 1.00 0.00 N ATOM 825 CZ ARG A 53 -10.316 15.573 4.964 1.00 0.00 C ATOM 826 NH1 ARG A 53 -10.087 16.381 5.992 1.00 0.00 N ATOM 827 NH2 ARG A 53 -11.306 14.693 5.028 1.00 0.00 N ATOM 0 H ARG A 53 -5.031 15.722 5.545 1.00 0.00 H new ATOM 0 HA ARG A 53 -5.259 18.329 4.537 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -7.148 17.092 6.554 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -7.523 18.242 5.286 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -6.407 15.982 3.982 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -7.506 15.349 5.190 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -8.795 17.591 3.940 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -8.130 16.588 2.666 1.00 0.00 H new ATOM 0 HE ARG A 53 -9.758 15.000 3.105 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -9.326 17.059 5.948 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -10.672 16.324 6.826 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -11.485 14.069 4.241 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -11.888 14.640 5.864 1.00 0.00 H new ATOM 841 N GLN A 54 -4.425 18.168 7.658 1.00 0.00 N ATOM 842 CA GLN A 54 -4.093 18.943 8.850 1.00 0.00 C ATOM 843 C GLN A 54 -2.637 19.416 8.874 1.00 0.00 C ATOM 844 O GLN A 54 -2.293 20.310 9.649 1.00 0.00 O ATOM 845 CB GLN A 54 -4.381 18.111 10.100 1.00 0.00 C ATOM 846 CG GLN A 54 -5.819 18.218 10.585 1.00 0.00 C ATOM 847 CD GLN A 54 -6.222 17.064 11.483 1.00 0.00 C ATOM 848 OE1 GLN A 54 -6.411 17.235 12.687 1.00 0.00 O ATOM 849 NE2 GLN A 54 -6.359 15.878 10.897 1.00 0.00 N ATOM 0 H GLN A 54 -4.094 17.203 7.675 1.00 0.00 H new ATOM 0 HA GLN A 54 -4.717 19.836 8.830 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -4.154 17.066 9.891 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -3.712 18.429 10.900 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -5.947 19.156 11.126 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -6.487 18.253 9.724 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -6.192 15.782 9.895 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -6.631 15.065 11.449 1.00 0.00 H new ATOM 858 N GLN A 55 -1.773 18.823 8.050 1.00 0.00 N ATOM 859 CA GLN A 55 -0.362 19.220 8.036 1.00 0.00 C ATOM 860 C GLN A 55 -0.041 20.160 6.874 1.00 0.00 C ATOM 861 O GLN A 55 0.962 19.987 6.181 1.00 0.00 O ATOM 862 CB GLN A 55 0.578 18.004 7.982 1.00 0.00 C ATOM 863 CG GLN A 55 -0.105 16.651 8.049 1.00 0.00 C ATOM 864 CD GLN A 55 0.843 15.531 7.664 1.00 0.00 C ATOM 865 OE1 GLN A 55 2.046 15.614 7.908 1.00 0.00 O ATOM 866 NE2 GLN A 55 0.309 14.479 7.060 1.00 0.00 N ATOM 0 H GLN A 55 -2.017 18.080 7.395 1.00 0.00 H new ATOM 0 HA GLN A 55 -0.194 19.752 8.972 1.00 0.00 H new ATOM 0 HB2 GLN A 55 1.157 18.054 7.060 1.00 0.00 H new ATOM 0 HB3 GLN A 55 1.286 18.076 8.808 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -0.480 16.481 9.058 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -0.968 16.644 7.383 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -0.694 14.451 6.877 1.00 0.00 H new ATOM 0 HE22 GLN A 55 0.901 13.698 6.779 1.00 0.00 H new ATOM 875 N VAL A 56 -0.883 21.162 6.672 1.00 0.00 N ATOM 876 CA VAL A 56 -0.657 22.123 5.595 1.00 0.00 C ATOM 877 C VAL A 56 -0.510 23.539 6.144 1.00 0.00 C ATOM 878 O VAL A 56 -0.941 23.834 7.259 1.00 0.00 O ATOM 879 CB VAL A 56 -1.784 22.113 4.538 1.00 0.00 C ATOM 880 CG1 VAL A 56 -1.197 22.122 3.134 1.00 0.00 C ATOM 881 CG2 VAL A 56 -2.717 20.923 4.722 1.00 0.00 C ATOM 0 H VAL A 56 -1.720 21.333 7.230 1.00 0.00 H new ATOM 0 HA VAL A 56 0.269 21.813 5.110 1.00 0.00 H new ATOM 0 HB VAL A 56 -2.376 23.018 4.677 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -2.005 22.115 2.402 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -0.592 23.019 2.998 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -0.573 21.239 2.995 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -3.496 20.950 3.960 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -2.149 19.997 4.627 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -3.174 20.968 5.710 1.00 0.00 H new ATOM 891 N THR A 57 0.099 24.412 5.348 1.00 0.00 N ATOM 892 CA THR A 57 0.310 25.803 5.728 1.00 0.00 C ATOM 893 C THR A 57 -0.060 26.711 4.560 1.00 0.00 C ATOM 894 O THR A 57 -0.309 26.227 3.455 1.00 0.00 O ATOM 895 CB THR A 57 1.768 26.035 6.133 1.00 0.00 C ATOM 896 OG1 THR A 57 2.648 25.444 5.194 1.00 0.00 O ATOM 897 CG2 THR A 57 2.108 25.475 7.497 1.00 0.00 C ATOM 0 H THR A 57 0.459 24.175 4.424 1.00 0.00 H new ATOM 0 HA THR A 57 -0.324 26.036 6.583 1.00 0.00 H new ATOM 0 HB THR A 57 1.891 27.118 6.163 1.00 0.00 H new ATOM 0 HG1 THR A 57 3.575 25.604 5.469 1.00 0.00 H new ATOM 0 HG21 THR A 57 3.156 25.674 7.721 1.00 0.00 H new ATOM 0 HG22 THR A 57 1.479 25.948 8.251 1.00 0.00 H new ATOM 0 HG23 THR A 57 1.934 24.399 7.502 1.00 0.00 H new ATOM 905 N GLY A 58 -0.089 28.020 4.785 1.00 0.00 N ATOM 906 CA GLY A 58 -0.422 28.940 3.712 1.00 0.00 C ATOM 907 C GLY A 58 -1.915 29.087 3.502 1.00 0.00 C ATOM 908 O GLY A 58 -2.711 28.750 4.379 1.00 0.00 O ATOM 0 H GLY A 58 0.110 28.459 5.684 1.00 0.00 H new ATOM 0 HA2 GLY A 58 0.007 29.918 3.933 1.00 0.00 H new ATOM 0 HA3 GLY A 58 0.037 28.592 2.787 1.00 0.00 H new ATOM 912 N GLU A 59 -2.295 29.594 2.332 1.00 0.00 N ATOM 913 CA GLU A 59 -3.700 29.791 2.001 1.00 0.00 C ATOM 914 C GLU A 59 -4.441 28.458 1.945 1.00 0.00 C ATOM 915 O GLU A 59 -3.824 27.397 1.850 1.00 0.00 O ATOM 916 CB GLU A 59 -3.830 30.517 0.660 1.00 0.00 C ATOM 917 CG GLU A 59 -3.849 32.031 0.788 1.00 0.00 C ATOM 918 CD GLU A 59 -2.532 32.589 1.292 1.00 0.00 C ATOM 919 OE1 GLU A 59 -2.364 32.691 2.525 1.00 0.00 O ATOM 920 OE2 GLU A 59 -1.668 32.922 0.453 1.00 0.00 O ATOM 0 H GLU A 59 -1.646 29.876 1.597 1.00 0.00 H new ATOM 0 HA GLU A 59 -4.150 30.401 2.784 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -3.000 30.225 0.016 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -4.746 30.191 0.167 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -4.079 32.471 -0.182 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -4.648 32.325 1.468 1.00 0.00 H new ATOM 927 N PRO A 60 -5.784 28.496 2.006 1.00 0.00 N ATOM 928 CA PRO A 60 -6.611 27.285 1.964 1.00 0.00 C ATOM 929 C PRO A 60 -6.554 26.584 0.610 1.00 0.00 C ATOM 930 O PRO A 60 -6.656 25.359 0.531 1.00 0.00 O ATOM 931 CB PRO A 60 -8.025 27.806 2.236 1.00 0.00 C ATOM 932 CG PRO A 60 -7.991 29.237 1.822 1.00 0.00 C ATOM 933 CD PRO A 60 -6.600 29.719 2.122 1.00 0.00 C ATOM 0 HA PRO A 60 -6.271 26.540 2.683 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -8.768 27.247 1.667 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -8.288 27.705 3.289 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -8.221 29.343 0.762 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -8.733 29.820 2.368 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -6.279 30.485 1.416 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -6.532 30.155 3.119 1.00 0.00 H new ATOM 941 N GLN A 61 -6.392 27.365 -0.452 1.00 0.00 N ATOM 942 CA GLN A 61 -6.322 26.816 -1.801 1.00 0.00 C ATOM 943 C GLN A 61 -5.147 25.857 -1.941 1.00 0.00 C ATOM 944 O GLN A 61 -5.269 24.786 -2.540 1.00 0.00 O ATOM 945 CB GLN A 61 -6.203 27.946 -2.827 1.00 0.00 C ATOM 946 CG GLN A 61 -7.253 27.887 -3.923 1.00 0.00 C ATOM 947 CD GLN A 61 -6.703 27.341 -5.227 1.00 0.00 C ATOM 948 OE1 GLN A 61 -7.252 26.400 -5.799 1.00 0.00 O ATOM 949 NE2 GLN A 61 -5.613 27.932 -5.702 1.00 0.00 N ATOM 0 H GLN A 61 -6.307 28.380 -0.405 1.00 0.00 H new ATOM 0 HA GLN A 61 -7.241 26.260 -1.988 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -6.282 28.903 -2.311 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -5.213 27.909 -3.282 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -8.083 27.262 -3.593 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -7.654 28.887 -4.092 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -5.192 28.709 -5.193 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -5.197 27.609 -6.575 1.00 0.00 H new ATOM 958 N GLU A 62 -4.009 26.245 -1.379 1.00 0.00 N ATOM 959 CA GLU A 62 -2.813 25.417 -1.439 1.00 0.00 C ATOM 960 C GLU A 62 -3.046 24.090 -0.729 1.00 0.00 C ATOM 961 O GLU A 62 -2.720 23.023 -1.258 1.00 0.00 O ATOM 962 CB GLU A 62 -1.629 26.140 -0.803 1.00 0.00 C ATOM 963 CG GLU A 62 -0.919 27.098 -1.747 1.00 0.00 C ATOM 964 CD GLU A 62 0.411 26.558 -2.234 1.00 0.00 C ATOM 965 OE1 GLU A 62 1.272 26.246 -1.385 1.00 0.00 O ATOM 966 OE2 GLU A 62 0.592 26.446 -3.465 1.00 0.00 O ATOM 0 H GLU A 62 -3.890 27.125 -0.878 1.00 0.00 H new ATOM 0 HA GLU A 62 -2.588 25.223 -2.488 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -1.978 26.694 0.068 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -0.913 25.400 -0.444 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -1.561 27.300 -2.605 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -0.757 28.049 -1.239 1.00 0.00 H new ATOM 973 N ARG A 63 -3.621 24.153 0.471 1.00 0.00 N ATOM 974 CA ARG A 63 -3.894 22.942 1.227 1.00 0.00 C ATOM 975 C ARG A 63 -4.694 21.980 0.370 1.00 0.00 C ATOM 976 O ARG A 63 -4.345 20.810 0.228 1.00 0.00 O ATOM 977 CB ARG A 63 -4.694 23.275 2.484 1.00 0.00 C ATOM 978 CG ARG A 63 -4.194 24.502 3.223 1.00 0.00 C ATOM 979 CD ARG A 63 -4.392 24.346 4.716 1.00 0.00 C ATOM 980 NE ARG A 63 -3.574 25.286 5.481 1.00 0.00 N ATOM 981 CZ ARG A 63 -3.865 25.687 6.717 1.00 0.00 C ATOM 982 NH1 ARG A 63 -4.940 25.221 7.341 1.00 0.00 N ATOM 983 NH2 ARG A 63 -3.073 26.552 7.335 1.00 0.00 N ATOM 0 H ARG A 63 -3.902 25.019 0.932 1.00 0.00 H new ATOM 0 HA ARG A 63 -2.947 22.485 1.514 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -5.737 23.429 2.209 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -4.665 22.419 3.159 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -3.137 24.658 3.006 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -4.726 25.386 2.871 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -5.443 24.499 4.960 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -4.142 23.326 5.010 1.00 0.00 H new ATOM 0 HE ARG A 63 -2.731 25.656 5.042 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -5.550 24.551 6.874 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -5.156 25.533 8.288 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -2.242 26.909 6.864 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -3.295 26.860 8.282 1.00 0.00 H new ATOM 997 N ASP A 64 -5.788 22.485 -0.183 1.00 0.00 N ATOM 998 CA ASP A 64 -6.659 21.663 -1.003 1.00 0.00 C ATOM 999 C ASP A 64 -5.894 21.010 -2.147 1.00 0.00 C ATOM 1000 O ASP A 64 -6.110 19.832 -2.435 1.00 0.00 O ATOM 1001 CB ASP A 64 -7.820 22.493 -1.552 1.00 0.00 C ATOM 1002 CG ASP A 64 -8.966 21.631 -2.043 1.00 0.00 C ATOM 1003 OD1 ASP A 64 -9.772 21.180 -1.203 1.00 0.00 O ATOM 1004 OD2 ASP A 64 -9.055 21.404 -3.269 1.00 0.00 O ATOM 0 H ASP A 64 -6.090 23.454 -0.078 1.00 0.00 H new ATOM 0 HA ASP A 64 -7.058 20.871 -0.369 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -8.182 23.165 -0.774 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -7.462 23.117 -2.371 1.00 0.00 H new ATOM 1009 N LYS A 65 -4.999 21.748 -2.809 1.00 0.00 N ATOM 1010 CA LYS A 65 -4.237 21.175 -3.913 1.00 0.00 C ATOM 1011 C LYS A 65 -3.382 20.015 -3.425 1.00 0.00 C ATOM 1012 O LYS A 65 -3.187 19.030 -4.138 1.00 0.00 O ATOM 1013 CB LYS A 65 -3.352 22.245 -4.558 1.00 0.00 C ATOM 1014 CG LYS A 65 -2.517 21.731 -5.720 1.00 0.00 C ATOM 1015 CD LYS A 65 -1.181 22.454 -5.809 1.00 0.00 C ATOM 1016 CE LYS A 65 -0.859 22.859 -7.239 1.00 0.00 C ATOM 1017 NZ LYS A 65 0.535 22.498 -7.618 1.00 0.00 N ATOM 0 H LYS A 65 -4.789 22.725 -2.603 1.00 0.00 H new ATOM 0 HA LYS A 65 -4.939 20.801 -4.659 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -3.983 23.062 -4.909 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -2.687 22.659 -3.800 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -2.346 20.661 -5.601 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -3.067 21.864 -6.652 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -1.203 23.341 -5.175 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -0.391 21.808 -5.426 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -1.558 22.373 -7.920 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -0.999 23.934 -7.352 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 0.715 22.791 -8.600 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 1.203 22.982 -6.985 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 0.662 21.469 -7.535 1.00 0.00 H new ATOM 1031 N ALA A 66 -2.886 20.129 -2.201 1.00 0.00 N ATOM 1032 CA ALA A 66 -2.070 19.074 -1.621 1.00 0.00 C ATOM 1033 C ALA A 66 -2.936 17.864 -1.291 1.00 0.00 C ATOM 1034 O ALA A 66 -2.556 16.722 -1.550 1.00 0.00 O ATOM 1035 CB ALA A 66 -1.359 19.578 -0.375 1.00 0.00 C ATOM 0 H ALA A 66 -3.033 20.936 -1.595 1.00 0.00 H new ATOM 0 HA ALA A 66 -1.315 18.774 -2.348 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -0.753 18.777 0.047 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -0.717 20.419 -0.637 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -2.097 19.900 0.360 1.00 0.00 H new ATOM 1041 N LEU A 67 -4.104 18.130 -0.711 1.00 0.00 N ATOM 1042 CA LEU A 67 -5.038 17.079 -0.329 1.00 0.00 C ATOM 1043 C LEU A 67 -5.597 16.351 -1.547 1.00 0.00 C ATOM 1044 O LEU A 67 -5.771 15.130 -1.521 1.00 0.00 O ATOM 1045 CB LEU A 67 -6.186 17.675 0.490 1.00 0.00 C ATOM 1046 CG LEU A 67 -5.867 17.964 1.960 1.00 0.00 C ATOM 1047 CD1 LEU A 67 -4.417 18.395 2.126 1.00 0.00 C ATOM 1048 CD2 LEU A 67 -6.807 19.030 2.505 1.00 0.00 C ATOM 0 H LEU A 67 -4.426 19.073 -0.495 1.00 0.00 H new ATOM 0 HA LEU A 67 -4.493 16.353 0.274 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -6.503 18.604 0.016 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -7.033 16.990 0.448 1.00 0.00 H new ATOM 0 HG LEU A 67 -6.014 17.046 2.529 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -4.215 18.595 3.178 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -3.759 17.601 1.774 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -4.237 19.299 1.544 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -6.569 19.225 3.551 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -6.690 19.948 1.929 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -7.837 18.682 2.427 1.00 0.00 H new ATOM 1060 N GLN A 68 -5.874 17.092 -2.618 1.00 0.00 N ATOM 1061 CA GLN A 68 -6.408 16.480 -3.827 1.00 0.00 C ATOM 1062 C GLN A 68 -5.340 15.630 -4.503 1.00 0.00 C ATOM 1063 O GLN A 68 -5.605 14.503 -4.922 1.00 0.00 O ATOM 1064 CB GLN A 68 -6.959 17.546 -4.788 1.00 0.00 C ATOM 1065 CG GLN A 68 -5.900 18.268 -5.608 1.00 0.00 C ATOM 1066 CD GLN A 68 -5.586 17.558 -6.911 1.00 0.00 C ATOM 1067 OE1 GLN A 68 -5.884 16.376 -7.076 1.00 0.00 O ATOM 1068 NE2 GLN A 68 -4.980 18.281 -7.847 1.00 0.00 N ATOM 0 H GLN A 68 -5.739 18.102 -2.672 1.00 0.00 H new ATOM 0 HA GLN A 68 -7.238 15.830 -3.548 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -7.666 17.072 -5.469 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -7.518 18.283 -4.211 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -6.241 19.281 -5.823 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -4.988 18.357 -5.018 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -4.751 19.259 -7.668 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -4.744 17.858 -8.745 1.00 0.00 H new ATOM 1077 N GLU A 69 -4.128 16.170 -4.600 1.00 0.00 N ATOM 1078 CA GLU A 69 -3.027 15.446 -5.216 1.00 0.00 C ATOM 1079 C GLU A 69 -2.720 14.179 -4.431 1.00 0.00 C ATOM 1080 O GLU A 69 -2.353 13.156 -5.007 1.00 0.00 O ATOM 1081 CB GLU A 69 -1.781 16.331 -5.297 1.00 0.00 C ATOM 1082 CG GLU A 69 -0.998 16.167 -6.590 1.00 0.00 C ATOM 1083 CD GLU A 69 0.202 15.254 -6.432 1.00 0.00 C ATOM 1084 OE1 GLU A 69 1.247 15.728 -5.941 1.00 0.00 O ATOM 1085 OE2 GLU A 69 0.097 14.065 -6.801 1.00 0.00 O ATOM 0 H GLU A 69 -3.887 17.101 -4.261 1.00 0.00 H new ATOM 0 HA GLU A 69 -3.323 15.168 -6.228 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -2.080 17.374 -5.193 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -1.128 16.101 -4.455 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -1.656 15.766 -7.361 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -0.663 17.145 -6.934 1.00 0.00 H new ATOM 1092 N LEU A 70 -2.885 14.243 -3.112 1.00 0.00 N ATOM 1093 CA LEU A 70 -2.636 13.080 -2.273 1.00 0.00 C ATOM 1094 C LEU A 70 -3.643 11.991 -2.610 1.00 0.00 C ATOM 1095 O LEU A 70 -3.281 10.836 -2.831 1.00 0.00 O ATOM 1096 CB LEU A 70 -2.735 13.459 -0.790 1.00 0.00 C ATOM 1097 CG LEU A 70 -1.419 13.399 -0.010 1.00 0.00 C ATOM 1098 CD1 LEU A 70 -1.016 11.956 0.248 1.00 0.00 C ATOM 1099 CD2 LEU A 70 -0.318 14.137 -0.758 1.00 0.00 C ATOM 0 H LEU A 70 -3.186 15.078 -2.609 1.00 0.00 H new ATOM 0 HA LEU A 70 -1.629 12.709 -2.462 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -3.136 14.470 -0.716 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -3.454 12.795 -0.309 1.00 0.00 H new ATOM 0 HG LEU A 70 -1.568 13.891 0.951 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -0.078 11.934 0.803 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -1.793 11.459 0.828 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -0.887 11.439 -0.703 1.00 0.00 H new ATOM 0 HD21 LEU A 70 0.609 14.083 -0.187 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -0.170 13.677 -1.735 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -0.603 15.181 -0.888 1.00 0.00 H new ATOM 1111 N ARG A 71 -4.914 12.374 -2.641 1.00 0.00 N ATOM 1112 CA ARG A 71 -5.990 11.437 -2.942 1.00 0.00 C ATOM 1113 C ARG A 71 -5.745 10.739 -4.275 1.00 0.00 C ATOM 1114 O ARG A 71 -5.825 9.514 -4.367 1.00 0.00 O ATOM 1115 CB ARG A 71 -7.333 12.168 -2.975 1.00 0.00 C ATOM 1116 CG ARG A 71 -8.535 11.238 -2.952 1.00 0.00 C ATOM 1117 CD ARG A 71 -9.749 11.912 -2.335 1.00 0.00 C ATOM 1118 NE ARG A 71 -9.980 11.473 -0.960 1.00 0.00 N ATOM 1119 CZ ARG A 71 -10.562 10.322 -0.636 1.00 0.00 C ATOM 1120 NH1 ARG A 71 -10.976 9.489 -1.584 1.00 0.00 N ATOM 1121 NH2 ARG A 71 -10.731 10.000 0.640 1.00 0.00 N ATOM 0 H ARG A 71 -5.225 13.329 -2.461 1.00 0.00 H new ATOM 0 HA ARG A 71 -6.013 10.682 -2.156 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -7.390 12.843 -2.121 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -7.379 12.785 -3.872 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -8.771 10.921 -3.968 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -8.290 10.339 -2.386 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -9.611 12.993 -2.352 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -10.630 11.694 -2.938 1.00 0.00 H new ATOM 0 HE ARG A 71 -9.677 12.086 -0.204 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -10.848 9.731 -2.567 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -11.422 8.608 -1.329 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -10.415 10.635 1.373 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -11.177 9.117 0.888 1.00 0.00 H new ATOM 1135 N GLN A 72 -5.428 11.518 -5.307 1.00 0.00 N ATOM 1136 CA GLN A 72 -5.157 10.951 -6.620 1.00 0.00 C ATOM 1137 C GLN A 72 -3.853 10.159 -6.590 1.00 0.00 C ATOM 1138 O GLN A 72 -3.690 9.170 -7.308 1.00 0.00 O ATOM 1139 CB GLN A 72 -5.098 12.061 -7.682 1.00 0.00 C ATOM 1140 CG GLN A 72 -3.740 12.739 -7.812 1.00 0.00 C ATOM 1141 CD GLN A 72 -2.967 12.265 -9.026 1.00 0.00 C ATOM 1142 OE1 GLN A 72 -3.352 12.530 -10.165 1.00 0.00 O ATOM 1143 NE2 GLN A 72 -1.867 11.560 -8.788 1.00 0.00 N ATOM 0 H GLN A 72 -5.354 12.534 -5.258 1.00 0.00 H new ATOM 0 HA GLN A 72 -5.967 10.272 -6.885 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -5.372 11.637 -8.648 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -5.846 12.817 -7.442 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -3.881 13.818 -7.874 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -3.154 12.545 -6.914 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -1.585 11.364 -7.828 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -1.304 11.215 -9.566 1.00 0.00 H new ATOM 1152 N GLU A 73 -2.929 10.604 -5.742 1.00 0.00 N ATOM 1153 CA GLU A 73 -1.639 9.946 -5.602 1.00 0.00 C ATOM 1154 C GLU A 73 -1.808 8.517 -5.105 1.00 0.00 C ATOM 1155 O GLU A 73 -1.212 7.594 -5.653 1.00 0.00 O ATOM 1156 CB GLU A 73 -0.740 10.728 -4.643 1.00 0.00 C ATOM 1157 CG GLU A 73 0.643 10.117 -4.475 1.00 0.00 C ATOM 1158 CD GLU A 73 0.842 9.488 -3.109 1.00 0.00 C ATOM 1159 OE1 GLU A 73 0.164 8.481 -2.814 1.00 0.00 O ATOM 1160 OE2 GLU A 73 1.677 10.002 -2.335 1.00 0.00 O ATOM 0 H GLU A 73 -3.053 11.419 -5.142 1.00 0.00 H new ATOM 0 HA GLU A 73 -1.169 9.917 -6.585 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -0.635 11.750 -5.007 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -1.224 10.785 -3.668 1.00 0.00 H new ATOM 0 HG2 GLU A 73 0.798 9.361 -5.245 1.00 0.00 H new ATOM 0 HG3 GLU A 73 1.398 10.888 -4.629 1.00 0.00 H new ATOM 1167 N LEU A 74 -2.646 8.331 -4.087 1.00 0.00 N ATOM 1168 CA LEU A 74 -2.909 7.002 -3.550 1.00 0.00 C ATOM 1169 C LEU A 74 -3.662 6.161 -4.569 1.00 0.00 C ATOM 1170 O LEU A 74 -3.360 4.987 -4.772 1.00 0.00 O ATOM 1171 CB LEU A 74 -3.719 7.100 -2.256 1.00 0.00 C ATOM 1172 CG LEU A 74 -3.184 8.098 -1.227 1.00 0.00 C ATOM 1173 CD1 LEU A 74 -4.302 8.568 -0.310 1.00 0.00 C ATOM 1174 CD2 LEU A 74 -2.054 7.476 -0.420 1.00 0.00 C ATOM 0 H LEU A 74 -3.152 9.083 -3.620 1.00 0.00 H new ATOM 0 HA LEU A 74 -1.954 6.524 -3.332 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -4.743 7.375 -2.507 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -3.758 6.113 -1.795 1.00 0.00 H new ATOM 0 HG LEU A 74 -2.790 8.964 -1.758 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -3.904 9.277 0.416 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -5.079 9.052 -0.902 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -4.726 7.712 0.215 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -1.685 8.199 0.307 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -2.423 6.593 0.102 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -1.243 7.189 -1.090 1.00 0.00 H new ATOM 1186 N ASN A 75 -4.666 6.773 -5.187 1.00 0.00 N ATOM 1187 CA ASN A 75 -5.497 6.087 -6.170 1.00 0.00 C ATOM 1188 C ASN A 75 -4.644 5.426 -7.245 1.00 0.00 C ATOM 1189 O ASN A 75 -4.898 4.285 -7.634 1.00 0.00 O ATOM 1190 CB ASN A 75 -6.478 7.070 -6.813 1.00 0.00 C ATOM 1191 CG ASN A 75 -7.845 7.035 -6.158 1.00 0.00 C ATOM 1192 OD1 ASN A 75 -8.663 6.163 -6.452 1.00 0.00 O ATOM 1193 ND2 ASN A 75 -8.099 7.984 -5.266 1.00 0.00 N ATOM 0 H ASN A 75 -4.925 7.746 -5.024 1.00 0.00 H new ATOM 0 HA ASN A 75 -6.057 5.309 -5.652 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -6.072 8.079 -6.747 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -6.580 6.836 -7.873 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -9.002 8.011 -4.793 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -7.391 8.687 -5.053 1.00 0.00 H new ATOM 1200 N THR A 76 -3.634 6.139 -7.723 1.00 0.00 N ATOM 1201 CA THR A 76 -2.752 5.603 -8.753 1.00 0.00 C ATOM 1202 C THR A 76 -1.707 4.663 -8.153 1.00 0.00 C ATOM 1203 O THR A 76 -1.514 3.551 -8.635 1.00 0.00 O ATOM 1204 CB THR A 76 -2.058 6.745 -9.498 1.00 0.00 C ATOM 1205 OG1 THR A 76 -3.010 7.635 -10.052 1.00 0.00 O ATOM 1206 CG2 THR A 76 -1.162 6.270 -10.623 1.00 0.00 C ATOM 0 H THR A 76 -3.405 7.085 -7.417 1.00 0.00 H new ATOM 0 HA THR A 76 -3.361 5.032 -9.453 1.00 0.00 H new ATOM 0 HB THR A 76 -1.441 7.243 -8.751 1.00 0.00 H new ATOM 0 HG1 THR A 76 -3.360 8.220 -9.348 1.00 0.00 H new ATOM 0 HG21 THR A 76 -0.701 7.130 -11.109 1.00 0.00 H new ATOM 0 HG22 THR A 76 -0.384 5.621 -10.220 1.00 0.00 H new ATOM 0 HG23 THR A 76 -1.755 5.716 -11.351 1.00 0.00 H new ATOM 1214 N LEU A 77 -1.025 5.130 -7.113 1.00 0.00 N ATOM 1215 CA LEU A 77 0.022 4.346 -6.453 1.00 0.00 C ATOM 1216 C LEU A 77 -0.486 2.991 -5.953 1.00 0.00 C ATOM 1217 O LEU A 77 0.239 1.997 -5.996 1.00 0.00 O ATOM 1218 CB LEU A 77 0.613 5.136 -5.281 1.00 0.00 C ATOM 1219 CG LEU A 77 2.002 5.727 -5.533 1.00 0.00 C ATOM 1220 CD1 LEU A 77 2.460 6.541 -4.334 1.00 0.00 C ATOM 1221 CD2 LEU A 77 3.001 4.623 -5.846 1.00 0.00 C ATOM 0 H LEU A 77 -1.177 6.052 -6.704 1.00 0.00 H new ATOM 0 HA LEU A 77 0.792 4.153 -7.200 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -0.070 5.947 -5.028 1.00 0.00 H new ATOM 0 HB3 LEU A 77 0.666 4.481 -4.411 1.00 0.00 H new ATOM 0 HG LEU A 77 1.944 6.391 -6.395 1.00 0.00 H new ATOM 0 HD11 LEU A 77 3.449 6.954 -4.531 1.00 0.00 H new ATOM 0 HD12 LEU A 77 1.756 7.354 -4.156 1.00 0.00 H new ATOM 0 HD13 LEU A 77 2.503 5.900 -3.454 1.00 0.00 H new ATOM 0 HD21 LEU A 77 3.984 5.061 -6.023 1.00 0.00 H new ATOM 0 HD22 LEU A 77 3.057 3.933 -5.004 1.00 0.00 H new ATOM 0 HD23 LEU A 77 2.679 4.083 -6.736 1.00 0.00 H new ATOM 1233 N ALA A 78 -1.712 2.961 -5.448 1.00 0.00 N ATOM 1234 CA ALA A 78 -2.291 1.733 -4.903 1.00 0.00 C ATOM 1235 C ALA A 78 -2.595 0.684 -5.975 1.00 0.00 C ATOM 1236 O ALA A 78 -2.450 -0.514 -5.728 1.00 0.00 O ATOM 1237 CB ALA A 78 -3.555 2.060 -4.124 1.00 0.00 C ATOM 0 H ALA A 78 -2.328 3.773 -5.403 1.00 0.00 H new ATOM 0 HA ALA A 78 -1.542 1.297 -4.241 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -3.982 1.142 -3.721 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -3.313 2.738 -3.305 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -4.278 2.535 -4.787 1.00 0.00 H new ATOM 1243 N ASN A 79 -3.043 1.122 -7.147 1.00 0.00 N ATOM 1244 CA ASN A 79 -3.391 0.194 -8.223 1.00 0.00 C ATOM 1245 C ASN A 79 -2.269 -0.808 -8.522 1.00 0.00 C ATOM 1246 O ASN A 79 -2.514 -2.013 -8.588 1.00 0.00 O ATOM 1247 CB ASN A 79 -3.741 0.971 -9.494 1.00 0.00 C ATOM 1248 CG ASN A 79 -4.931 0.380 -10.224 1.00 0.00 C ATOM 1249 OD1 ASN A 79 -6.053 0.386 -9.716 1.00 0.00 O ATOM 1250 ND2 ASN A 79 -4.690 -0.136 -11.423 1.00 0.00 N ATOM 0 H ASN A 79 -3.174 2.107 -7.378 1.00 0.00 H new ATOM 0 HA ASN A 79 -4.256 -0.377 -7.884 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -3.955 2.008 -9.235 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -2.878 0.981 -10.160 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -5.451 -0.549 -11.963 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -3.744 -0.119 -11.805 1.00 0.00 H new ATOM 1257 N PRO A 80 -1.027 -0.333 -8.721 1.00 0.00 N ATOM 1258 CA PRO A 80 0.113 -1.205 -9.027 1.00 0.00 C ATOM 1259 C PRO A 80 0.547 -2.070 -7.846 1.00 0.00 C ATOM 1260 O PRO A 80 0.978 -3.211 -8.032 1.00 0.00 O ATOM 1261 CB PRO A 80 1.225 -0.224 -9.405 1.00 0.00 C ATOM 1262 CG PRO A 80 0.866 1.039 -8.709 1.00 0.00 C ATOM 1263 CD PRO A 80 -0.637 1.086 -8.687 1.00 0.00 C ATOM 0 HA PRO A 80 -0.137 -1.919 -9.812 1.00 0.00 H new ATOM 0 HB2 PRO A 80 2.201 -0.589 -9.085 1.00 0.00 H new ATOM 0 HB3 PRO A 80 1.277 -0.081 -10.484 1.00 0.00 H new ATOM 0 HG2 PRO A 80 1.272 1.056 -7.698 1.00 0.00 H new ATOM 0 HG3 PRO A 80 1.276 1.903 -9.232 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -1.010 1.583 -7.791 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -1.034 1.632 -9.543 1.00 0.00 H new ATOM 1271 N PHE A 81 0.439 -1.537 -6.631 1.00 0.00 N ATOM 1272 CA PHE A 81 0.832 -2.276 -5.438 1.00 0.00 C ATOM 1273 C PHE A 81 -0.055 -3.503 -5.245 1.00 0.00 C ATOM 1274 O PHE A 81 0.441 -4.624 -5.116 1.00 0.00 O ATOM 1275 CB PHE A 81 0.745 -1.341 -4.222 1.00 0.00 C ATOM 1276 CG PHE A 81 0.773 -2.026 -2.881 1.00 0.00 C ATOM 1277 CD1 PHE A 81 1.427 -3.235 -2.705 1.00 0.00 C ATOM 1278 CD2 PHE A 81 0.144 -1.443 -1.792 1.00 0.00 C ATOM 1279 CE1 PHE A 81 1.450 -3.850 -1.467 1.00 0.00 C ATOM 1280 CE2 PHE A 81 0.165 -2.052 -0.553 1.00 0.00 C ATOM 1281 CZ PHE A 81 0.818 -3.257 -0.390 1.00 0.00 C ATOM 0 H PHE A 81 0.083 -0.599 -6.449 1.00 0.00 H new ATOM 0 HA PHE A 81 1.857 -2.628 -5.550 1.00 0.00 H new ATOM 0 HB2 PHE A 81 1.573 -0.634 -4.268 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -0.174 -0.760 -4.296 1.00 0.00 H new ATOM 0 HD1 PHE A 81 1.924 -3.701 -3.543 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -0.369 -0.500 -1.914 1.00 0.00 H new ATOM 0 HE1 PHE A 81 1.961 -4.793 -1.341 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -0.329 -1.586 0.287 1.00 0.00 H new ATOM 0 HZ PHE A 81 0.835 -3.736 0.578 1.00 0.00 H new ATOM 1291 N LEU A 82 -1.365 -3.287 -5.227 1.00 0.00 N ATOM 1292 CA LEU A 82 -2.310 -4.381 -5.051 1.00 0.00 C ATOM 1293 C LEU A 82 -2.061 -5.477 -6.080 1.00 0.00 C ATOM 1294 O LEU A 82 -2.303 -6.654 -5.815 1.00 0.00 O ATOM 1295 CB LEU A 82 -3.747 -3.869 -5.158 1.00 0.00 C ATOM 1296 CG LEU A 82 -4.173 -2.901 -4.052 1.00 0.00 C ATOM 1297 CD1 LEU A 82 -5.564 -2.352 -4.329 1.00 0.00 C ATOM 1298 CD2 LEU A 82 -4.130 -3.589 -2.695 1.00 0.00 C ATOM 0 H LEU A 82 -1.795 -2.368 -5.332 1.00 0.00 H new ATOM 0 HA LEU A 82 -2.164 -4.802 -4.056 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -3.869 -3.373 -6.121 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -4.423 -4.724 -5.152 1.00 0.00 H new ATOM 0 HG LEU A 82 -3.472 -2.067 -4.037 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -5.850 -1.666 -3.532 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -5.563 -1.822 -5.281 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -6.278 -3.175 -4.373 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -4.436 -2.886 -1.921 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -4.808 -4.443 -2.698 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -3.115 -3.932 -2.493 1.00 0.00 H new ATOM 1310 N ALA A 83 -1.562 -5.086 -7.250 1.00 0.00 N ATOM 1311 CA ALA A 83 -1.267 -6.045 -8.303 1.00 0.00 C ATOM 1312 C ALA A 83 -0.054 -6.884 -7.927 1.00 0.00 C ATOM 1313 O ALA A 83 -0.058 -8.105 -8.082 1.00 0.00 O ATOM 1314 CB ALA A 83 -1.032 -5.328 -9.624 1.00 0.00 C ATOM 0 H ALA A 83 -1.355 -4.116 -7.489 1.00 0.00 H new ATOM 0 HA ALA A 83 -2.124 -6.708 -8.421 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -0.813 -6.060 -10.401 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -1.925 -4.766 -9.897 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -0.190 -4.644 -9.522 1.00 0.00 H new ATOM 1320 N LYS A 84 0.985 -6.221 -7.419 1.00 0.00 N ATOM 1321 CA LYS A 84 2.202 -6.915 -7.009 1.00 0.00 C ATOM 1322 C LYS A 84 1.885 -7.985 -5.973 1.00 0.00 C ATOM 1323 O LYS A 84 2.404 -9.099 -6.038 1.00 0.00 O ATOM 1324 CB LYS A 84 3.222 -5.930 -6.432 1.00 0.00 C ATOM 1325 CG LYS A 84 3.683 -4.878 -7.428 1.00 0.00 C ATOM 1326 CD LYS A 84 5.187 -4.664 -7.360 1.00 0.00 C ATOM 1327 CE LYS A 84 5.918 -5.507 -8.393 1.00 0.00 C ATOM 1328 NZ LYS A 84 7.036 -4.758 -9.031 1.00 0.00 N ATOM 0 H LYS A 84 1.007 -5.210 -7.283 1.00 0.00 H new ATOM 0 HA LYS A 84 2.630 -7.389 -7.893 1.00 0.00 H new ATOM 0 HB2 LYS A 84 2.784 -5.432 -5.567 1.00 0.00 H new ATOM 0 HB3 LYS A 84 4.089 -6.485 -6.075 1.00 0.00 H new ATOM 0 HG2 LYS A 84 3.404 -5.184 -8.436 1.00 0.00 H new ATOM 0 HG3 LYS A 84 3.171 -3.937 -7.227 1.00 0.00 H new ATOM 0 HD2 LYS A 84 5.413 -3.610 -7.523 1.00 0.00 H new ATOM 0 HD3 LYS A 84 5.547 -4.917 -6.363 1.00 0.00 H new ATOM 0 HE2 LYS A 84 6.309 -6.406 -7.917 1.00 0.00 H new ATOM 0 HE3 LYS A 84 5.215 -5.832 -9.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 7.509 -5.367 -9.729 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 6.661 -3.913 -9.507 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 7.721 -4.470 -8.303 1.00 0.00 H new ATOM 1342 N TYR A 85 1.028 -7.642 -5.016 1.00 0.00 N ATOM 1343 CA TYR A 85 0.650 -8.584 -3.971 1.00 0.00 C ATOM 1344 C TYR A 85 -0.287 -9.657 -4.517 1.00 0.00 C ATOM 1345 O TYR A 85 -0.244 -10.805 -4.082 1.00 0.00 O ATOM 1346 CB TYR A 85 0.000 -7.864 -2.791 1.00 0.00 C ATOM 1347 CG TYR A 85 0.438 -8.416 -1.452 1.00 0.00 C ATOM 1348 CD1 TYR A 85 1.782 -8.645 -1.185 1.00 0.00 C ATOM 1349 CD2 TYR A 85 -0.488 -8.713 -0.462 1.00 0.00 C ATOM 1350 CE1 TYR A 85 2.191 -9.156 0.033 1.00 0.00 C ATOM 1351 CE2 TYR A 85 -0.087 -9.222 0.759 1.00 0.00 C ATOM 1352 CZ TYR A 85 1.253 -9.442 1.001 1.00 0.00 C ATOM 1353 OH TYR A 85 1.657 -9.950 2.214 1.00 0.00 O ATOM 0 H TYR A 85 0.586 -6.726 -4.943 1.00 0.00 H new ATOM 0 HA TYR A 85 1.561 -9.068 -3.618 1.00 0.00 H new ATOM 0 HB2 TYR A 85 0.245 -6.803 -2.839 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -1.084 -7.945 -2.875 1.00 0.00 H new ATOM 0 HD1 TYR A 85 2.520 -8.420 -1.941 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -1.538 -8.544 -0.648 1.00 0.00 H new ATOM 0 HE1 TYR A 85 3.240 -9.330 0.225 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -0.820 -9.446 1.520 1.00 0.00 H new ATOM 0 HH TYR A 85 1.403 -10.895 2.274 1.00 0.00 H new ATOM 1363 N ARG A 86 -1.125 -9.282 -5.479 1.00 0.00 N ATOM 1364 CA ARG A 86 -2.053 -10.226 -6.078 1.00 0.00 C ATOM 1365 C ARG A 86 -1.274 -11.312 -6.820 1.00 0.00 C ATOM 1366 O ARG A 86 -1.554 -12.501 -6.672 1.00 0.00 O ATOM 1367 CB ARG A 86 -3.027 -9.483 -7.011 1.00 0.00 C ATOM 1368 CG ARG A 86 -3.258 -10.147 -8.360 1.00 0.00 C ATOM 1369 CD ARG A 86 -4.698 -9.987 -8.819 1.00 0.00 C ATOM 1370 NE ARG A 86 -5.594 -10.918 -8.136 1.00 0.00 N ATOM 1371 CZ ARG A 86 -5.632 -12.226 -8.382 1.00 0.00 C ATOM 1372 NH1 ARG A 86 -4.836 -12.760 -9.300 1.00 0.00 N ATOM 1373 NH2 ARG A 86 -6.469 -13.003 -7.707 1.00 0.00 N ATOM 0 H ARG A 86 -1.178 -8.336 -5.856 1.00 0.00 H new ATOM 0 HA ARG A 86 -2.644 -10.709 -5.300 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -3.986 -9.382 -6.504 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -2.648 -8.475 -7.179 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -2.588 -9.711 -9.101 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -3.012 -11.207 -8.292 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -5.027 -8.964 -8.633 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -4.756 -10.150 -9.895 1.00 0.00 H new ATOM 0 HE ARG A 86 -6.227 -10.544 -7.429 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -4.190 -12.168 -9.822 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -4.870 -13.763 -9.484 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -7.083 -12.598 -7.000 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -6.499 -14.005 -7.895 1.00 0.00 H new ATOM 1387 N ASP A 87 -0.284 -10.892 -7.602 1.00 0.00 N ATOM 1388 CA ASP A 87 0.548 -11.830 -8.345 1.00 0.00 C ATOM 1389 C ASP A 87 1.438 -12.609 -7.384 1.00 0.00 C ATOM 1390 O ASP A 87 1.749 -13.776 -7.611 1.00 0.00 O ATOM 1391 CB ASP A 87 1.404 -11.086 -9.373 1.00 0.00 C ATOM 1392 CG ASP A 87 0.816 -11.152 -10.769 1.00 0.00 C ATOM 1393 OD1 ASP A 87 -0.076 -10.334 -11.076 1.00 0.00 O ATOM 1394 OD2 ASP A 87 1.247 -12.022 -11.554 1.00 0.00 O ATOM 0 H ASP A 87 -0.040 -9.911 -7.737 1.00 0.00 H new ATOM 0 HA ASP A 87 -0.099 -12.529 -8.875 1.00 0.00 H new ATOM 0 HB2 ASP A 87 1.504 -10.043 -9.072 1.00 0.00 H new ATOM 0 HB3 ASP A 87 2.407 -11.512 -9.383 1.00 0.00 H new ATOM 1399 N PHE A 88 1.826 -11.950 -6.297 1.00 0.00 N ATOM 1400 CA PHE A 88 2.663 -12.560 -5.272 1.00 0.00 C ATOM 1401 C PHE A 88 1.863 -13.585 -4.470 1.00 0.00 C ATOM 1402 O PHE A 88 2.412 -14.561 -3.966 1.00 0.00 O ATOM 1403 CB PHE A 88 3.220 -11.485 -4.339 1.00 0.00 C ATOM 1404 CG PHE A 88 4.411 -11.931 -3.538 1.00 0.00 C ATOM 1405 CD1 PHE A 88 5.453 -12.615 -4.141 1.00 0.00 C ATOM 1406 CD2 PHE A 88 4.487 -11.660 -2.181 1.00 0.00 C ATOM 1407 CE1 PHE A 88 6.551 -13.021 -3.406 1.00 0.00 C ATOM 1408 CE2 PHE A 88 5.581 -12.064 -1.441 1.00 0.00 C ATOM 1409 CZ PHE A 88 6.615 -12.745 -2.054 1.00 0.00 C ATOM 0 H PHE A 88 1.570 -10.982 -6.103 1.00 0.00 H new ATOM 0 HA PHE A 88 3.493 -13.070 -5.761 1.00 0.00 H new ATOM 0 HB2 PHE A 88 3.498 -10.613 -4.931 1.00 0.00 H new ATOM 0 HB3 PHE A 88 2.433 -11.168 -3.655 1.00 0.00 H new ATOM 0 HD1 PHE A 88 5.407 -12.834 -5.198 1.00 0.00 H new ATOM 0 HD2 PHE A 88 3.682 -11.127 -1.697 1.00 0.00 H new ATOM 0 HE1 PHE A 88 7.358 -13.553 -3.888 1.00 0.00 H new ATOM 0 HE2 PHE A 88 5.628 -11.848 -0.384 1.00 0.00 H new ATOM 0 HZ PHE A 88 7.472 -13.061 -1.477 1.00 0.00 H new ATOM 1419 N LEU A 89 0.558 -13.354 -4.378 1.00 0.00 N ATOM 1420 CA LEU A 89 -0.328 -14.260 -3.654 1.00 0.00 C ATOM 1421 C LEU A 89 -0.627 -15.492 -4.507 1.00 0.00 C ATOM 1422 O LEU A 89 -0.601 -16.625 -4.024 1.00 0.00 O ATOM 1423 CB LEU A 89 -1.637 -13.545 -3.294 1.00 0.00 C ATOM 1424 CG LEU A 89 -1.666 -12.833 -1.933 1.00 0.00 C ATOM 1425 CD1 LEU A 89 -2.250 -13.745 -0.865 1.00 0.00 C ATOM 1426 CD2 LEU A 89 -0.276 -12.358 -1.527 1.00 0.00 C ATOM 0 H LEU A 89 0.090 -12.549 -4.795 1.00 0.00 H new ATOM 0 HA LEU A 89 0.167 -14.574 -2.735 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -1.851 -12.810 -4.070 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -2.445 -14.277 -3.316 1.00 0.00 H new ATOM 0 HG LEU A 89 -2.305 -11.955 -2.030 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -2.262 -13.223 0.092 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -3.268 -14.022 -1.140 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -1.639 -14.644 -0.780 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -0.330 -11.858 -0.560 1.00 0.00 H new ATOM 0 HD22 LEU A 89 0.395 -13.214 -1.456 1.00 0.00 H new ATOM 0 HD23 LEU A 89 0.103 -11.661 -2.275 1.00 0.00 H new