USER MOD reduce.3.24.130724 H: found=0, std=0, add=647, rem=0, adj=12 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 25 GLN : amide:sc= -8.42! C(o=-22!,f=-18!) USER MOD Set 1.2: A 37 MET CE :methyl 147:sc= -10.1! (180deg=-8.65!) USER MOD Set 1.3: A 85 TYR OH : rot 83:sc= -3.55! USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 23 ASN : amide:sc= -2.82 K(o=-2.8,f=-4.8!) USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 SER OG : rot 180:sc= 0.0222 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 46 ASN : amide:sc= -0.288 K(o=-0.29,f=-1.8!) USER MOD Single : A 48 TYR OH : rot 20:sc= -0.166 USER MOD Single : A 50 ASN : amide:sc= -2.09 K(o=-2.1,f=-6.5!) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 TYR OH : rot 129:sc= -2.78! USER MOD Single : A 54 GLN : amide:sc= 0.0759 X(o=0.076,f=0) USER MOD Single : A 55 GLN : amide:sc= -0.434 K(o=-0.43,f=-4.3!) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=-0.094) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=-0.32) USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 ASN : amide:sc= 0.0288 X(o=0.029,f=0) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 ASN : amide:sc= -0.331 K(o=-0.33,f=0.94) USER MOD Single : A 84 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.0034) USER MOD ----------------------------------------------------------------- ATOM 87 N LYS A 8 6.721 21.255 0.078 1.00 0.00 N ATOM 88 CA LYS A 8 6.972 20.259 -0.955 1.00 0.00 C ATOM 89 C LYS A 8 7.550 18.981 -0.355 1.00 0.00 C ATOM 90 O LYS A 8 7.346 17.891 -0.890 1.00 0.00 O ATOM 91 CB LYS A 8 7.929 20.820 -2.008 1.00 0.00 C ATOM 92 CG LYS A 8 8.147 19.888 -3.189 1.00 0.00 C ATOM 93 CD LYS A 8 9.446 20.201 -3.913 1.00 0.00 C ATOM 94 CE LYS A 8 10.629 19.492 -3.272 1.00 0.00 C ATOM 95 NZ LYS A 8 11.702 20.447 -2.879 1.00 0.00 N ATOM 0 HA LYS A 8 6.021 20.016 -1.428 1.00 0.00 H new ATOM 0 HB2 LYS A 8 7.538 21.770 -2.373 1.00 0.00 H new ATOM 0 HB3 LYS A 8 8.890 21.030 -1.539 1.00 0.00 H new ATOM 0 HG2 LYS A 8 8.163 18.855 -2.841 1.00 0.00 H new ATOM 0 HG3 LYS A 8 7.312 19.977 -3.883 1.00 0.00 H new ATOM 0 HD2 LYS A 8 9.363 19.900 -4.957 1.00 0.00 H new ATOM 0 HD3 LYS A 8 9.618 21.277 -3.904 1.00 0.00 H new ATOM 0 HE2 LYS A 8 10.291 18.944 -2.393 1.00 0.00 H new ATOM 0 HE3 LYS A 8 11.034 18.758 -3.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 12.490 19.925 -2.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 12.043 20.952 -3.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 11.323 21.132 -2.194 1.00 0.00 H new ATOM 109 N ASP A 9 8.274 19.115 0.753 1.00 0.00 N ATOM 110 CA ASP A 9 8.872 17.960 1.406 1.00 0.00 C ATOM 111 C ASP A 9 7.796 17.098 2.048 1.00 0.00 C ATOM 112 O ASP A 9 7.866 15.874 1.998 1.00 0.00 O ATOM 113 CB ASP A 9 9.928 18.395 2.437 1.00 0.00 C ATOM 114 CG ASP A 9 9.464 18.256 3.879 1.00 0.00 C ATOM 115 OD1 ASP A 9 9.274 17.108 4.333 1.00 0.00 O ATOM 116 OD2 ASP A 9 9.297 19.294 4.552 1.00 0.00 O ATOM 0 H ASP A 9 8.459 20.006 1.213 1.00 0.00 H new ATOM 0 HA ASP A 9 9.380 17.361 0.650 1.00 0.00 H new ATOM 0 HB2 ASP A 9 10.829 17.799 2.295 1.00 0.00 H new ATOM 0 HB3 ASP A 9 10.200 19.434 2.250 1.00 0.00 H new ATOM 121 N LEU A 10 6.794 17.737 2.640 1.00 0.00 N ATOM 122 CA LEU A 10 5.709 16.995 3.263 1.00 0.00 C ATOM 123 C LEU A 10 4.927 16.240 2.196 1.00 0.00 C ATOM 124 O LEU A 10 4.614 15.054 2.355 1.00 0.00 O ATOM 125 CB LEU A 10 4.775 17.930 4.032 1.00 0.00 C ATOM 126 CG LEU A 10 3.786 17.228 4.968 1.00 0.00 C ATOM 127 CD1 LEU A 10 4.120 17.521 6.422 1.00 0.00 C ATOM 128 CD2 LEU A 10 2.358 17.649 4.653 1.00 0.00 C ATOM 0 H LEU A 10 6.711 18.752 2.701 1.00 0.00 H new ATOM 0 HA LEU A 10 6.137 16.286 3.972 1.00 0.00 H new ATOM 0 HB2 LEU A 10 5.380 18.622 4.619 1.00 0.00 H new ATOM 0 HB3 LEU A 10 4.212 18.528 3.315 1.00 0.00 H new ATOM 0 HG LEU A 10 3.871 16.153 4.808 1.00 0.00 H new ATOM 0 HD11 LEU A 10 3.405 17.013 7.069 1.00 0.00 H new ATOM 0 HD12 LEU A 10 5.126 17.165 6.643 1.00 0.00 H new ATOM 0 HD13 LEU A 10 4.068 18.595 6.598 1.00 0.00 H new ATOM 0 HD21 LEU A 10 1.671 17.139 5.329 1.00 0.00 H new ATOM 0 HD22 LEU A 10 2.260 18.727 4.781 1.00 0.00 H new ATOM 0 HD23 LEU A 10 2.119 17.383 3.623 1.00 0.00 H new ATOM 140 N ILE A 11 4.633 16.924 1.089 1.00 0.00 N ATOM 141 CA ILE A 11 3.907 16.295 -0.001 1.00 0.00 C ATOM 142 C ILE A 11 4.712 15.131 -0.561 1.00 0.00 C ATOM 143 O ILE A 11 4.216 14.005 -0.633 1.00 0.00 O ATOM 144 CB ILE A 11 3.606 17.295 -1.136 1.00 0.00 C ATOM 145 CG1 ILE A 11 2.913 18.540 -0.580 1.00 0.00 C ATOM 146 CG2 ILE A 11 2.749 16.640 -2.210 1.00 0.00 C ATOM 147 CD1 ILE A 11 1.607 18.240 0.124 1.00 0.00 C ATOM 0 H ILE A 11 4.885 17.900 0.930 1.00 0.00 H new ATOM 0 HA ILE A 11 2.960 15.935 0.401 1.00 0.00 H new ATOM 0 HB ILE A 11 4.550 17.599 -1.589 1.00 0.00 H new ATOM 0 HG12 ILE A 11 3.586 19.040 0.117 1.00 0.00 H new ATOM 0 HG13 ILE A 11 2.725 19.237 -1.397 1.00 0.00 H new ATOM 0 HG21 ILE A 11 2.546 17.360 -3.003 1.00 0.00 H new ATOM 0 HG22 ILE A 11 3.278 15.782 -2.625 1.00 0.00 H new ATOM 0 HG23 ILE A 11 1.808 16.308 -1.772 1.00 0.00 H new ATOM 0 HD11 ILE A 11 1.171 19.168 0.493 1.00 0.00 H new ATOM 0 HD12 ILE A 11 0.917 17.767 -0.575 1.00 0.00 H new ATOM 0 HD13 ILE A 11 1.791 17.568 0.962 1.00 0.00 H new ATOM 159 N SER A 12 5.959 15.393 -0.953 1.00 0.00 N ATOM 160 CA SER A 12 6.809 14.346 -1.494 1.00 0.00 C ATOM 161 C SER A 12 7.029 13.257 -0.456 1.00 0.00 C ATOM 162 O SER A 12 7.155 12.094 -0.790 1.00 0.00 O ATOM 163 CB SER A 12 8.153 14.924 -1.940 1.00 0.00 C ATOM 164 OG SER A 12 8.898 13.975 -2.682 1.00 0.00 O ATOM 0 H SER A 12 6.395 16.314 -0.905 1.00 0.00 H new ATOM 0 HA SER A 12 6.311 13.912 -2.361 1.00 0.00 H new ATOM 0 HB2 SER A 12 7.986 15.814 -2.547 1.00 0.00 H new ATOM 0 HB3 SER A 12 8.725 15.237 -1.067 1.00 0.00 H new ATOM 0 HG SER A 12 9.752 14.371 -2.956 1.00 0.00 H new ATOM 170 N ALA A 13 7.095 13.656 0.803 1.00 0.00 N ATOM 171 CA ALA A 13 7.317 12.707 1.887 1.00 0.00 C ATOM 172 C ALA A 13 6.221 11.654 1.920 1.00 0.00 C ATOM 173 O ALA A 13 6.498 10.468 2.100 1.00 0.00 O ATOM 174 CB ALA A 13 7.423 13.425 3.224 1.00 0.00 C ATOM 0 H ALA A 13 6.999 14.627 1.102 1.00 0.00 H new ATOM 0 HA ALA A 13 8.264 12.200 1.702 1.00 0.00 H new ATOM 0 HB1 ALA A 13 7.588 12.695 4.017 1.00 0.00 H new ATOM 0 HB2 ALA A 13 8.258 14.126 3.196 1.00 0.00 H new ATOM 0 HB3 ALA A 13 6.499 13.969 3.419 1.00 0.00 H new ATOM 180 N GLY A 14 4.984 12.076 1.693 1.00 0.00 N ATOM 181 CA GLY A 14 3.895 11.114 1.650 1.00 0.00 C ATOM 182 C GLY A 14 4.040 10.249 0.417 1.00 0.00 C ATOM 183 O GLY A 14 3.892 9.029 0.462 1.00 0.00 O ATOM 0 H GLY A 14 4.716 13.048 1.540 1.00 0.00 H new ATOM 0 HA2 GLY A 14 3.907 10.494 2.546 1.00 0.00 H new ATOM 0 HA3 GLY A 14 2.937 11.633 1.634 1.00 0.00 H new ATOM 187 N LEU A 15 4.354 10.921 -0.681 1.00 0.00 N ATOM 188 CA LEU A 15 4.556 10.253 -1.958 1.00 0.00 C ATOM 189 C LEU A 15 5.598 9.151 -1.800 1.00 0.00 C ATOM 190 O LEU A 15 5.322 7.977 -2.044 1.00 0.00 O ATOM 191 CB LEU A 15 4.984 11.251 -3.030 1.00 0.00 C ATOM 192 CG LEU A 15 3.900 11.622 -4.044 1.00 0.00 C ATOM 193 CD1 LEU A 15 3.518 10.412 -4.883 1.00 0.00 C ATOM 194 CD2 LEU A 15 2.679 12.187 -3.334 1.00 0.00 C ATOM 0 H LEU A 15 4.475 11.933 -0.713 1.00 0.00 H new ATOM 0 HA LEU A 15 3.614 9.807 -2.276 1.00 0.00 H new ATOM 0 HB2 LEU A 15 5.327 12.162 -2.540 1.00 0.00 H new ATOM 0 HB3 LEU A 15 5.837 10.838 -3.569 1.00 0.00 H new ATOM 0 HG LEU A 15 4.297 12.389 -4.709 1.00 0.00 H new ATOM 0 HD11 LEU A 15 2.746 10.695 -5.599 1.00 0.00 H new ATOM 0 HD12 LEU A 15 4.395 10.050 -5.419 1.00 0.00 H new ATOM 0 HD13 LEU A 15 3.139 9.623 -4.233 1.00 0.00 H new ATOM 0 HD21 LEU A 15 1.918 12.446 -4.070 1.00 0.00 H new ATOM 0 HD22 LEU A 15 2.280 11.441 -2.646 1.00 0.00 H new ATOM 0 HD23 LEU A 15 2.963 13.080 -2.776 1.00 0.00 H new ATOM 206 N LYS A 16 6.791 9.539 -1.369 1.00 0.00 N ATOM 207 CA LYS A 16 7.875 8.598 -1.150 1.00 0.00 C ATOM 208 C LYS A 16 7.475 7.578 -0.091 1.00 0.00 C ATOM 209 O LYS A 16 7.925 6.435 -0.110 1.00 0.00 O ATOM 210 CB LYS A 16 9.149 9.349 -0.732 1.00 0.00 C ATOM 211 CG LYS A 16 9.219 9.702 0.749 1.00 0.00 C ATOM 212 CD LYS A 16 10.285 8.889 1.468 1.00 0.00 C ATOM 213 CE LYS A 16 11.661 9.520 1.319 1.00 0.00 C ATOM 214 NZ LYS A 16 12.310 9.753 2.638 1.00 0.00 N ATOM 0 H LYS A 16 7.031 10.509 -1.163 1.00 0.00 H new ATOM 0 HA LYS A 16 8.080 8.066 -2.079 1.00 0.00 H new ATOM 0 HB2 LYS A 16 10.015 8.739 -0.988 1.00 0.00 H new ATOM 0 HB3 LYS A 16 9.222 10.267 -1.315 1.00 0.00 H new ATOM 0 HG2 LYS A 16 9.434 10.765 0.861 1.00 0.00 H new ATOM 0 HG3 LYS A 16 8.249 9.523 1.213 1.00 0.00 H new ATOM 0 HD2 LYS A 16 10.032 8.810 2.525 1.00 0.00 H new ATOM 0 HD3 LYS A 16 10.303 7.875 1.068 1.00 0.00 H new ATOM 0 HE2 LYS A 16 12.294 8.872 0.712 1.00 0.00 H new ATOM 0 HE3 LYS A 16 11.571 10.467 0.786 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 13.245 10.184 2.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 11.719 10.391 3.208 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 12.420 8.847 3.136 1.00 0.00 H new ATOM 228 N GLU A 17 6.614 8.002 0.826 1.00 0.00 N ATOM 229 CA GLU A 17 6.140 7.128 1.886 1.00 0.00 C ATOM 230 C GLU A 17 5.318 5.993 1.295 1.00 0.00 C ATOM 231 O GLU A 17 5.533 4.824 1.615 1.00 0.00 O ATOM 232 CB GLU A 17 5.304 7.916 2.897 1.00 0.00 C ATOM 233 CG GLU A 17 6.078 8.311 4.144 1.00 0.00 C ATOM 234 CD GLU A 17 5.170 8.736 5.282 1.00 0.00 C ATOM 235 OE1 GLU A 17 4.655 9.873 5.237 1.00 0.00 O ATOM 236 OE2 GLU A 17 4.974 7.932 6.218 1.00 0.00 O ATOM 0 H GLU A 17 6.231 8.947 0.855 1.00 0.00 H new ATOM 0 HA GLU A 17 7.002 6.709 2.404 1.00 0.00 H new ATOM 0 HB2 GLU A 17 4.920 8.816 2.417 1.00 0.00 H new ATOM 0 HB3 GLU A 17 4.441 7.317 3.189 1.00 0.00 H new ATOM 0 HG2 GLU A 17 6.692 7.471 4.468 1.00 0.00 H new ATOM 0 HG3 GLU A 17 6.758 9.128 3.902 1.00 0.00 H new ATOM 243 N PHE A 18 4.378 6.346 0.428 1.00 0.00 N ATOM 244 CA PHE A 18 3.526 5.355 -0.211 1.00 0.00 C ATOM 245 C PHE A 18 4.345 4.450 -1.123 1.00 0.00 C ATOM 246 O PHE A 18 4.253 3.227 -1.036 1.00 0.00 O ATOM 247 CB PHE A 18 2.407 6.036 -1.005 1.00 0.00 C ATOM 248 CG PHE A 18 1.116 5.262 -1.021 1.00 0.00 C ATOM 249 CD1 PHE A 18 0.665 4.606 0.116 1.00 0.00 C ATOM 250 CD2 PHE A 18 0.350 5.192 -2.174 1.00 0.00 C ATOM 251 CE1 PHE A 18 -0.520 3.896 0.102 1.00 0.00 C ATOM 252 CE2 PHE A 18 -0.837 4.483 -2.194 1.00 0.00 C ATOM 253 CZ PHE A 18 -1.272 3.834 -1.055 1.00 0.00 C ATOM 0 H PHE A 18 4.187 7.309 0.152 1.00 0.00 H new ATOM 0 HA PHE A 18 3.074 4.743 0.569 1.00 0.00 H new ATOM 0 HB2 PHE A 18 2.223 7.023 -0.582 1.00 0.00 H new ATOM 0 HB3 PHE A 18 2.742 6.187 -2.031 1.00 0.00 H new ATOM 0 HD1 PHE A 18 1.248 4.651 1.024 1.00 0.00 H new ATOM 0 HD2 PHE A 18 0.684 5.697 -3.068 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -0.858 3.390 0.994 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -1.424 4.437 -3.100 1.00 0.00 H new ATOM 0 HZ PHE A 18 -2.198 3.279 -1.069 1.00 0.00 H new ATOM 263 N SER A 19 5.154 5.053 -1.991 1.00 0.00 N ATOM 264 CA SER A 19 5.991 4.287 -2.909 1.00 0.00 C ATOM 265 C SER A 19 6.958 3.392 -2.141 1.00 0.00 C ATOM 266 O SER A 19 7.037 2.185 -2.383 1.00 0.00 O ATOM 267 CB SER A 19 6.769 5.230 -3.830 1.00 0.00 C ATOM 268 OG SER A 19 6.923 4.669 -5.122 1.00 0.00 O ATOM 0 H SER A 19 5.247 6.065 -2.077 1.00 0.00 H new ATOM 0 HA SER A 19 5.342 3.655 -3.515 1.00 0.00 H new ATOM 0 HB2 SER A 19 6.247 6.184 -3.904 1.00 0.00 H new ATOM 0 HB3 SER A 19 7.749 5.436 -3.400 1.00 0.00 H new ATOM 0 HG SER A 19 7.422 5.291 -5.692 1.00 0.00 H new ATOM 274 N VAL A 20 7.686 3.991 -1.203 1.00 0.00 N ATOM 275 CA VAL A 20 8.639 3.248 -0.392 1.00 0.00 C ATOM 276 C VAL A 20 7.922 2.186 0.435 1.00 0.00 C ATOM 277 O VAL A 20 8.496 1.148 0.758 1.00 0.00 O ATOM 278 CB VAL A 20 9.441 4.181 0.540 1.00 0.00 C ATOM 279 CG1 VAL A 20 10.320 3.378 1.490 1.00 0.00 C ATOM 280 CG2 VAL A 20 10.283 5.149 -0.278 1.00 0.00 C ATOM 0 H VAL A 20 7.633 4.987 -0.988 1.00 0.00 H new ATOM 0 HA VAL A 20 9.339 2.764 -1.073 1.00 0.00 H new ATOM 0 HB VAL A 20 8.734 4.755 1.139 1.00 0.00 H new ATOM 0 HG11 VAL A 20 10.875 4.059 2.136 1.00 0.00 H new ATOM 0 HG12 VAL A 20 9.695 2.727 2.101 1.00 0.00 H new ATOM 0 HG13 VAL A 20 11.020 2.773 0.914 1.00 0.00 H new ATOM 0 HG21 VAL A 20 10.843 5.801 0.393 1.00 0.00 H new ATOM 0 HG22 VAL A 20 10.978 4.588 -0.903 1.00 0.00 H new ATOM 0 HG23 VAL A 20 9.632 5.753 -0.911 1.00 0.00 H new ATOM 290 N LEU A 21 6.659 2.443 0.764 1.00 0.00 N ATOM 291 CA LEU A 21 5.880 1.489 1.539 1.00 0.00 C ATOM 292 C LEU A 21 5.648 0.231 0.708 1.00 0.00 C ATOM 293 O LEU A 21 5.829 -0.884 1.188 1.00 0.00 O ATOM 294 CB LEU A 21 4.544 2.123 1.952 1.00 0.00 C ATOM 295 CG LEU A 21 3.459 1.152 2.433 1.00 0.00 C ATOM 296 CD1 LEU A 21 3.472 1.046 3.951 1.00 0.00 C ATOM 297 CD2 LEU A 21 2.088 1.601 1.941 1.00 0.00 C ATOM 0 H LEU A 21 6.160 3.295 0.508 1.00 0.00 H new ATOM 0 HA LEU A 21 6.425 1.216 2.443 1.00 0.00 H new ATOM 0 HB2 LEU A 21 4.737 2.844 2.747 1.00 0.00 H new ATOM 0 HB3 LEU A 21 4.152 2.683 1.103 1.00 0.00 H new ATOM 0 HG LEU A 21 3.670 0.166 2.018 1.00 0.00 H new ATOM 0 HD11 LEU A 21 2.695 0.353 4.274 1.00 0.00 H new ATOM 0 HD12 LEU A 21 4.444 0.681 4.282 1.00 0.00 H new ATOM 0 HD13 LEU A 21 3.285 2.028 4.386 1.00 0.00 H new ATOM 0 HD21 LEU A 21 1.329 0.901 2.291 1.00 0.00 H new ATOM 0 HD22 LEU A 21 1.870 2.596 2.329 1.00 0.00 H new ATOM 0 HD23 LEU A 21 2.083 1.627 0.851 1.00 0.00 H new ATOM 309 N LEU A 22 5.252 0.430 -0.544 1.00 0.00 N ATOM 310 CA LEU A 22 4.998 -0.684 -1.452 1.00 0.00 C ATOM 311 C LEU A 22 6.270 -1.491 -1.687 1.00 0.00 C ATOM 312 O LEU A 22 6.228 -2.717 -1.784 1.00 0.00 O ATOM 313 CB LEU A 22 4.444 -0.179 -2.788 1.00 0.00 C ATOM 314 CG LEU A 22 3.469 1.000 -2.695 1.00 0.00 C ATOM 315 CD1 LEU A 22 2.613 1.083 -3.949 1.00 0.00 C ATOM 316 CD2 LEU A 22 2.590 0.882 -1.457 1.00 0.00 C ATOM 0 H LEU A 22 5.100 1.352 -0.954 1.00 0.00 H new ATOM 0 HA LEU A 22 4.255 -1.332 -0.988 1.00 0.00 H new ATOM 0 HB2 LEU A 22 5.281 0.114 -3.421 1.00 0.00 H new ATOM 0 HB3 LEU A 22 3.940 -1.006 -3.288 1.00 0.00 H new ATOM 0 HG LEU A 22 4.052 1.917 -2.611 1.00 0.00 H new ATOM 0 HD11 LEU A 22 1.927 1.926 -3.866 1.00 0.00 H new ATOM 0 HD12 LEU A 22 3.255 1.222 -4.819 1.00 0.00 H new ATOM 0 HD13 LEU A 22 2.043 0.161 -4.062 1.00 0.00 H new ATOM 0 HD21 LEU A 22 1.907 1.730 -1.414 1.00 0.00 H new ATOM 0 HD22 LEU A 22 2.016 -0.044 -1.505 1.00 0.00 H new ATOM 0 HD23 LEU A 22 3.217 0.875 -0.565 1.00 0.00 H new ATOM 328 N ASN A 23 7.400 -0.796 -1.782 1.00 0.00 N ATOM 329 CA ASN A 23 8.681 -1.456 -2.010 1.00 0.00 C ATOM 330 C ASN A 23 9.272 -1.990 -0.703 1.00 0.00 C ATOM 331 O ASN A 23 10.068 -2.929 -0.711 1.00 0.00 O ATOM 332 CB ASN A 23 9.658 -0.490 -2.701 1.00 0.00 C ATOM 333 CG ASN A 23 10.703 0.094 -1.766 1.00 0.00 C ATOM 334 OD1 ASN A 23 10.394 0.504 -0.647 1.00 0.00 O ATOM 335 ND2 ASN A 23 11.949 0.135 -2.223 1.00 0.00 N ATOM 0 H ASN A 23 7.455 0.220 -1.705 1.00 0.00 H new ATOM 0 HA ASN A 23 8.513 -2.311 -2.665 1.00 0.00 H new ATOM 0 HB2 ASN A 23 10.162 -1.016 -3.512 1.00 0.00 H new ATOM 0 HB3 ASN A 23 9.091 0.324 -3.152 1.00 0.00 H new ATOM 0 HD21 ASN A 23 12.694 0.517 -1.640 1.00 0.00 H new ATOM 0 HD22 ASN A 23 12.161 -0.216 -3.157 1.00 0.00 H new ATOM 342 N GLN A 24 8.884 -1.385 0.417 1.00 0.00 N ATOM 343 CA GLN A 24 9.384 -1.803 1.725 1.00 0.00 C ATOM 344 C GLN A 24 8.276 -2.411 2.586 1.00 0.00 C ATOM 345 O GLN A 24 8.386 -2.454 3.811 1.00 0.00 O ATOM 346 CB GLN A 24 10.012 -0.611 2.453 1.00 0.00 C ATOM 347 CG GLN A 24 11.281 -0.964 3.211 1.00 0.00 C ATOM 348 CD GLN A 24 11.896 0.235 3.906 1.00 0.00 C ATOM 349 OE1 GLN A 24 13.022 0.632 3.604 1.00 0.00 O ATOM 350 NE2 GLN A 24 11.160 0.817 4.845 1.00 0.00 N ATOM 0 H GLN A 24 8.227 -0.606 0.446 1.00 0.00 H new ATOM 0 HA GLN A 24 10.140 -2.571 1.560 1.00 0.00 H new ATOM 0 HB2 GLN A 24 10.237 0.170 1.727 1.00 0.00 H new ATOM 0 HB3 GLN A 24 9.284 -0.197 3.151 1.00 0.00 H new ATOM 0 HG2 GLN A 24 11.056 -1.733 3.951 1.00 0.00 H new ATOM 0 HG3 GLN A 24 12.007 -1.390 2.519 1.00 0.00 H new ATOM 0 HE21 GLN A 24 10.232 0.455 5.063 1.00 0.00 H new ATOM 0 HE22 GLN A 24 11.523 1.627 5.348 1.00 0.00 H new ATOM 359 N GLN A 25 7.207 -2.870 1.941 1.00 0.00 N ATOM 360 CA GLN A 25 6.075 -3.460 2.658 1.00 0.00 C ATOM 361 C GLN A 25 6.423 -4.824 3.270 1.00 0.00 C ATOM 362 O GLN A 25 5.565 -5.696 3.358 1.00 0.00 O ATOM 363 CB GLN A 25 4.863 -3.601 1.731 1.00 0.00 C ATOM 364 CG GLN A 25 5.043 -4.633 0.628 1.00 0.00 C ATOM 365 CD GLN A 25 4.477 -5.992 0.998 1.00 0.00 C ATOM 366 OE1 GLN A 25 5.113 -7.021 0.780 1.00 0.00 O ATOM 367 NE2 GLN A 25 3.276 -6.000 1.566 1.00 0.00 N ATOM 0 H GLN A 25 7.099 -2.846 0.927 1.00 0.00 H new ATOM 0 HA GLN A 25 5.830 -2.782 3.475 1.00 0.00 H new ATOM 0 HB2 GLN A 25 3.992 -3.871 2.328 1.00 0.00 H new ATOM 0 HB3 GLN A 25 4.651 -2.633 1.277 1.00 0.00 H new ATOM 0 HG2 GLN A 25 4.557 -4.277 -0.280 1.00 0.00 H new ATOM 0 HG3 GLN A 25 6.104 -4.736 0.402 1.00 0.00 H new ATOM 0 HE21 GLN A 25 2.783 -5.122 1.729 1.00 0.00 H new ATOM 0 HE22 GLN A 25 2.847 -6.884 1.839 1.00 0.00 H new ATOM 376 N VAL A 26 7.673 -4.983 3.721 1.00 0.00 N ATOM 377 CA VAL A 26 8.146 -6.220 4.358 1.00 0.00 C ATOM 378 C VAL A 26 7.467 -7.480 3.814 1.00 0.00 C ATOM 379 O VAL A 26 6.268 -7.684 4.002 1.00 0.00 O ATOM 380 CB VAL A 26 7.939 -6.172 5.884 1.00 0.00 C ATOM 381 CG1 VAL A 26 8.647 -7.337 6.557 1.00 0.00 C ATOM 382 CG2 VAL A 26 8.427 -4.846 6.448 1.00 0.00 C ATOM 0 H VAL A 26 8.387 -4.257 3.655 1.00 0.00 H new ATOM 0 HA VAL A 26 9.208 -6.279 4.120 1.00 0.00 H new ATOM 0 HB VAL A 26 6.872 -6.258 6.089 1.00 0.00 H new ATOM 0 HG11 VAL A 26 8.489 -7.286 7.634 1.00 0.00 H new ATOM 0 HG12 VAL A 26 8.246 -8.276 6.176 1.00 0.00 H new ATOM 0 HG13 VAL A 26 9.715 -7.286 6.344 1.00 0.00 H new ATOM 0 HG21 VAL A 26 8.273 -4.831 7.527 1.00 0.00 H new ATOM 0 HG22 VAL A 26 9.489 -4.727 6.232 1.00 0.00 H new ATOM 0 HG23 VAL A 26 7.870 -4.029 5.990 1.00 0.00 H new ATOM 392 N PHE A 27 8.248 -8.345 3.174 1.00 0.00 N ATOM 393 CA PHE A 27 7.715 -9.595 2.645 1.00 0.00 C ATOM 394 C PHE A 27 8.180 -10.771 3.480 1.00 0.00 C ATOM 395 O PHE A 27 9.370 -10.948 3.744 1.00 0.00 O ATOM 396 CB PHE A 27 8.092 -9.790 1.177 1.00 0.00 C ATOM 397 CG PHE A 27 7.667 -8.650 0.295 1.00 0.00 C ATOM 398 CD1 PHE A 27 8.199 -7.383 0.471 1.00 0.00 C ATOM 399 CD2 PHE A 27 6.729 -8.845 -0.708 1.00 0.00 C ATOM 400 CE1 PHE A 27 7.802 -6.333 -0.333 1.00 0.00 C ATOM 401 CE2 PHE A 27 6.331 -7.799 -1.516 1.00 0.00 C ATOM 402 CZ PHE A 27 6.866 -6.542 -1.328 1.00 0.00 C ATOM 0 H PHE A 27 9.245 -8.205 3.010 1.00 0.00 H new ATOM 0 HA PHE A 27 6.628 -9.540 2.700 1.00 0.00 H new ATOM 0 HB2 PHE A 27 9.172 -9.916 1.101 1.00 0.00 H new ATOM 0 HB3 PHE A 27 7.637 -10.711 0.812 1.00 0.00 H new ATOM 0 HD1 PHE A 27 8.932 -7.215 1.246 1.00 0.00 H new ATOM 0 HD2 PHE A 27 6.305 -9.827 -0.859 1.00 0.00 H new ATOM 0 HE1 PHE A 27 8.223 -5.349 -0.184 1.00 0.00 H new ATOM 0 HE2 PHE A 27 5.601 -7.965 -2.295 1.00 0.00 H new ATOM 0 HZ PHE A 27 6.554 -5.722 -1.958 1.00 0.00 H new ATOM 452 N LEU A 31 2.530 -14.472 5.870 1.00 0.00 N ATOM 453 CA LEU A 31 2.411 -13.043 6.156 1.00 0.00 C ATOM 454 C LEU A 31 0.953 -12.578 6.090 1.00 0.00 C ATOM 455 O LEU A 31 0.032 -13.375 6.269 1.00 0.00 O ATOM 456 CB LEU A 31 3.284 -12.232 5.200 1.00 0.00 C ATOM 457 CG LEU A 31 2.741 -12.102 3.783 1.00 0.00 C ATOM 458 CD1 LEU A 31 3.501 -11.035 3.013 1.00 0.00 C ATOM 459 CD2 LEU A 31 2.806 -13.432 3.047 1.00 0.00 C ATOM 0 HA LEU A 31 2.763 -12.875 7.174 1.00 0.00 H new ATOM 0 HB2 LEU A 31 3.418 -11.233 5.614 1.00 0.00 H new ATOM 0 HB3 LEU A 31 4.271 -12.693 5.154 1.00 0.00 H new ATOM 0 HG LEU A 31 1.695 -11.803 3.853 1.00 0.00 H new ATOM 0 HD11 LEU A 31 3.098 -10.958 2.003 1.00 0.00 H new ATOM 0 HD12 LEU A 31 3.396 -10.076 3.520 1.00 0.00 H new ATOM 0 HD13 LEU A 31 4.556 -11.305 2.963 1.00 0.00 H new ATOM 0 HD21 LEU A 31 2.412 -13.309 2.038 1.00 0.00 H new ATOM 0 HD22 LEU A 31 3.842 -13.768 2.994 1.00 0.00 H new ATOM 0 HD23 LEU A 31 2.211 -14.173 3.581 1.00 0.00 H new ATOM 471 N VAL A 32 0.754 -11.286 5.840 1.00 0.00 N ATOM 472 CA VAL A 32 -0.584 -10.713 5.760 1.00 0.00 C ATOM 473 C VAL A 32 -1.280 -11.101 4.456 1.00 0.00 C ATOM 474 O VAL A 32 -0.659 -11.122 3.394 1.00 0.00 O ATOM 475 CB VAL A 32 -0.527 -9.176 5.871 1.00 0.00 C ATOM 476 CG1 VAL A 32 0.250 -8.579 4.706 1.00 0.00 C ATOM 477 CG2 VAL A 32 -1.927 -8.595 5.942 1.00 0.00 C ATOM 0 H VAL A 32 1.507 -10.615 5.689 1.00 0.00 H new ATOM 0 HA VAL A 32 -1.158 -11.115 6.595 1.00 0.00 H new ATOM 0 HB VAL A 32 -0.004 -8.918 6.792 1.00 0.00 H new ATOM 0 HG11 VAL A 32 0.277 -7.494 4.805 1.00 0.00 H new ATOM 0 HG12 VAL A 32 1.268 -8.969 4.709 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -0.238 -8.846 3.768 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -1.867 -7.509 6.020 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -2.479 -8.864 5.041 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -2.442 -8.994 6.816 1.00 0.00 H new ATOM 487 N SER A 33 -2.570 -11.420 4.549 1.00 0.00 N ATOM 488 CA SER A 33 -3.347 -11.822 3.378 1.00 0.00 C ATOM 489 C SER A 33 -3.799 -10.613 2.562 1.00 0.00 C ATOM 490 O SER A 33 -3.567 -9.467 2.945 1.00 0.00 O ATOM 491 CB SER A 33 -4.565 -12.643 3.809 1.00 0.00 C ATOM 492 OG SER A 33 -5.240 -12.025 4.891 1.00 0.00 O ATOM 0 H SER A 33 -3.098 -11.408 5.421 1.00 0.00 H new ATOM 0 HA SER A 33 -2.702 -12.433 2.747 1.00 0.00 H new ATOM 0 HB2 SER A 33 -5.248 -12.756 2.967 1.00 0.00 H new ATOM 0 HB3 SER A 33 -4.248 -13.645 4.099 1.00 0.00 H new ATOM 0 HG SER A 33 -6.015 -12.568 5.146 1.00 0.00 H new ATOM 498 N GLU A 34 -4.433 -10.886 1.422 1.00 0.00 N ATOM 499 CA GLU A 34 -4.907 -9.831 0.529 1.00 0.00 C ATOM 500 C GLU A 34 -6.032 -9.009 1.156 1.00 0.00 C ATOM 501 O GLU A 34 -6.083 -7.792 0.987 1.00 0.00 O ATOM 502 CB GLU A 34 -5.377 -10.430 -0.799 1.00 0.00 C ATOM 503 CG GLU A 34 -6.235 -11.675 -0.640 1.00 0.00 C ATOM 504 CD GLU A 34 -7.442 -11.673 -1.556 1.00 0.00 C ATOM 505 OE1 GLU A 34 -8.284 -10.758 -1.428 1.00 0.00 O ATOM 506 OE2 GLU A 34 -7.548 -12.586 -2.403 1.00 0.00 O ATOM 0 H GLU A 34 -4.630 -11.832 1.095 1.00 0.00 H new ATOM 0 HA GLU A 34 -4.068 -9.159 0.349 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -5.944 -9.677 -1.346 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -4.505 -10.676 -1.405 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -5.629 -12.558 -0.846 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -6.569 -11.752 0.395 1.00 0.00 H new ATOM 513 N GLU A 35 -6.928 -9.671 1.877 1.00 0.00 N ATOM 514 CA GLU A 35 -8.044 -8.982 2.522 1.00 0.00 C ATOM 515 C GLU A 35 -7.530 -8.042 3.605 1.00 0.00 C ATOM 516 O GLU A 35 -8.055 -6.941 3.801 1.00 0.00 O ATOM 517 CB GLU A 35 -9.018 -9.994 3.128 1.00 0.00 C ATOM 518 CG GLU A 35 -9.769 -10.813 2.091 1.00 0.00 C ATOM 519 CD GLU A 35 -10.984 -11.512 2.670 1.00 0.00 C ATOM 520 OE1 GLU A 35 -12.079 -10.911 2.654 1.00 0.00 O ATOM 521 OE2 GLU A 35 -10.841 -12.661 3.138 1.00 0.00 O ATOM 0 H GLU A 35 -6.906 -10.679 2.031 1.00 0.00 H new ATOM 0 HA GLU A 35 -8.570 -8.397 1.767 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -8.467 -10.669 3.782 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -9.738 -9.464 3.751 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -10.083 -10.161 1.276 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -9.096 -11.556 1.663 1.00 0.00 H new ATOM 528 N ASP A 36 -6.477 -8.476 4.282 1.00 0.00 N ATOM 529 CA ASP A 36 -5.862 -7.674 5.327 1.00 0.00 C ATOM 530 C ASP A 36 -5.077 -6.536 4.695 1.00 0.00 C ATOM 531 O ASP A 36 -5.030 -5.429 5.227 1.00 0.00 O ATOM 532 CB ASP A 36 -4.950 -8.534 6.201 1.00 0.00 C ATOM 533 CG ASP A 36 -5.710 -9.255 7.296 1.00 0.00 C ATOM 534 OD1 ASP A 36 -6.441 -10.216 6.978 1.00 0.00 O ATOM 535 OD2 ASP A 36 -5.573 -8.859 8.473 1.00 0.00 O ATOM 0 H ASP A 36 -6.031 -9.380 4.126 1.00 0.00 H new ATOM 0 HA ASP A 36 -6.643 -7.260 5.964 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -4.437 -9.265 5.576 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -4.182 -7.904 6.650 1.00 0.00 H new ATOM 540 N MET A 37 -4.484 -6.815 3.538 1.00 0.00 N ATOM 541 CA MET A 37 -3.725 -5.811 2.810 1.00 0.00 C ATOM 542 C MET A 37 -4.667 -4.730 2.297 1.00 0.00 C ATOM 543 O MET A 37 -4.408 -3.537 2.456 1.00 0.00 O ATOM 544 CB MET A 37 -2.971 -6.458 1.642 1.00 0.00 C ATOM 545 CG MET A 37 -2.326 -5.457 0.696 1.00 0.00 C ATOM 546 SD MET A 37 -0.896 -4.636 1.423 1.00 0.00 S ATOM 547 CE MET A 37 0.436 -5.571 0.678 1.00 0.00 C ATOM 0 H MET A 37 -4.516 -7.729 3.087 1.00 0.00 H new ATOM 0 HA MET A 37 -2.996 -5.359 3.482 1.00 0.00 H new ATOM 0 HB2 MET A 37 -2.199 -7.116 2.041 1.00 0.00 H new ATOM 0 HB3 MET A 37 -3.663 -7.083 1.077 1.00 0.00 H new ATOM 0 HG2 MET A 37 -2.021 -5.970 -0.216 1.00 0.00 H new ATOM 0 HG3 MET A 37 -3.063 -4.707 0.409 1.00 0.00 H new ATOM 0 HE1 MET A 37 1.294 -4.918 0.519 1.00 0.00 H new ATOM 0 HE2 MET A 37 0.721 -6.389 1.340 1.00 0.00 H new ATOM 0 HE3 MET A 37 0.106 -5.976 -0.279 1.00 0.00 H new ATOM 557 N VAL A 38 -5.770 -5.161 1.690 1.00 0.00 N ATOM 558 CA VAL A 38 -6.763 -4.236 1.164 1.00 0.00 C ATOM 559 C VAL A 38 -7.260 -3.311 2.262 1.00 0.00 C ATOM 560 O VAL A 38 -7.321 -2.095 2.081 1.00 0.00 O ATOM 561 CB VAL A 38 -7.964 -4.978 0.545 1.00 0.00 C ATOM 562 CG1 VAL A 38 -8.955 -3.989 -0.052 1.00 0.00 C ATOM 563 CG2 VAL A 38 -7.494 -5.976 -0.504 1.00 0.00 C ATOM 0 H VAL A 38 -5.996 -6.146 1.552 1.00 0.00 H new ATOM 0 HA VAL A 38 -6.277 -3.653 0.381 1.00 0.00 H new ATOM 0 HB VAL A 38 -8.472 -5.531 1.335 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -9.796 -4.532 -0.484 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -9.318 -3.321 0.729 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -8.463 -3.405 -0.829 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -8.356 -6.490 -0.929 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -6.959 -5.449 -1.294 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -6.829 -6.705 -0.041 1.00 0.00 H new ATOM 573 N THR A 39 -7.605 -3.889 3.409 1.00 0.00 N ATOM 574 CA THR A 39 -8.083 -3.099 4.532 1.00 0.00 C ATOM 575 C THR A 39 -7.031 -2.065 4.926 1.00 0.00 C ATOM 576 O THR A 39 -7.344 -0.892 5.132 1.00 0.00 O ATOM 577 CB THR A 39 -8.422 -4.017 5.714 1.00 0.00 C ATOM 578 OG1 THR A 39 -9.778 -4.422 5.656 1.00 0.00 O ATOM 579 CG2 THR A 39 -8.195 -3.384 7.071 1.00 0.00 C ATOM 0 H THR A 39 -7.562 -4.893 3.582 1.00 0.00 H new ATOM 0 HA THR A 39 -8.990 -2.570 4.241 1.00 0.00 H new ATOM 0 HB THR A 39 -7.742 -4.863 5.616 1.00 0.00 H new ATOM 0 HG1 THR A 39 -9.977 -5.008 6.416 1.00 0.00 H new ATOM 0 HG21 THR A 39 -8.458 -4.096 7.853 1.00 0.00 H new ATOM 0 HG22 THR A 39 -7.146 -3.105 7.171 1.00 0.00 H new ATOM 0 HG23 THR A 39 -8.818 -2.494 7.166 1.00 0.00 H new ATOM 587 N VAL A 40 -5.780 -2.508 5.020 1.00 0.00 N ATOM 588 CA VAL A 40 -4.684 -1.620 5.379 1.00 0.00 C ATOM 589 C VAL A 40 -4.566 -0.473 4.378 1.00 0.00 C ATOM 590 O VAL A 40 -4.274 0.659 4.757 1.00 0.00 O ATOM 591 CB VAL A 40 -3.340 -2.373 5.451 1.00 0.00 C ATOM 592 CG1 VAL A 40 -2.219 -1.443 5.895 1.00 0.00 C ATOM 593 CG2 VAL A 40 -3.446 -3.568 6.387 1.00 0.00 C ATOM 0 H VAL A 40 -5.503 -3.475 4.852 1.00 0.00 H new ATOM 0 HA VAL A 40 -4.910 -1.219 6.367 1.00 0.00 H new ATOM 0 HB VAL A 40 -3.102 -2.737 4.452 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -1.282 -1.998 5.938 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -2.123 -0.623 5.183 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -2.449 -1.042 6.882 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -2.488 -4.087 6.425 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -3.712 -3.225 7.387 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -4.214 -4.250 6.021 1.00 0.00 H new ATOM 603 N VAL A 41 -4.796 -0.771 3.100 1.00 0.00 N ATOM 604 CA VAL A 41 -4.714 0.249 2.060 1.00 0.00 C ATOM 605 C VAL A 41 -5.802 1.301 2.247 1.00 0.00 C ATOM 606 O VAL A 41 -5.529 2.500 2.223 1.00 0.00 O ATOM 607 CB VAL A 41 -4.843 -0.370 0.655 1.00 0.00 C ATOM 608 CG1 VAL A 41 -4.613 0.685 -0.418 1.00 0.00 C ATOM 609 CG2 VAL A 41 -3.869 -1.529 0.491 1.00 0.00 C ATOM 0 H VAL A 41 -5.039 -1.703 2.763 1.00 0.00 H new ATOM 0 HA VAL A 41 -3.735 0.720 2.148 1.00 0.00 H new ATOM 0 HB VAL A 41 -5.856 -0.756 0.540 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -4.708 0.229 -1.403 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -5.353 1.479 -0.313 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -3.613 1.104 -0.308 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -3.974 -1.954 -0.507 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -2.849 -1.169 0.627 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -4.086 -2.295 1.236 1.00 0.00 H new ATOM 619 N GLU A 42 -7.037 0.845 2.432 1.00 0.00 N ATOM 620 CA GLU A 42 -8.165 1.751 2.624 1.00 0.00 C ATOM 621 C GLU A 42 -7.903 2.703 3.789 1.00 0.00 C ATOM 622 O GLU A 42 -8.110 3.915 3.681 1.00 0.00 O ATOM 623 CB GLU A 42 -9.448 0.952 2.865 1.00 0.00 C ATOM 624 CG GLU A 42 -10.560 1.293 1.888 1.00 0.00 C ATOM 625 CD GLU A 42 -11.571 0.173 1.741 1.00 0.00 C ATOM 626 OE1 GLU A 42 -11.151 -0.984 1.529 1.00 0.00 O ATOM 627 OE2 GLU A 42 -12.786 0.453 1.837 1.00 0.00 O ATOM 0 H GLU A 42 -7.282 -0.145 2.453 1.00 0.00 H new ATOM 0 HA GLU A 42 -8.287 2.347 1.719 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -9.224 -0.112 2.793 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -9.797 1.136 3.881 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -11.070 2.196 2.224 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -10.126 1.516 0.913 1.00 0.00 H new ATOM 634 N ASP A 43 -7.434 2.147 4.900 1.00 0.00 N ATOM 635 CA ASP A 43 -7.133 2.940 6.083 1.00 0.00 C ATOM 636 C ASP A 43 -5.884 3.788 5.869 1.00 0.00 C ATOM 637 O ASP A 43 -5.804 4.917 6.344 1.00 0.00 O ATOM 638 CB ASP A 43 -6.947 2.029 7.299 1.00 0.00 C ATOM 639 CG ASP A 43 -7.700 2.528 8.517 1.00 0.00 C ATOM 640 OD1 ASP A 43 -8.945 2.429 8.527 1.00 0.00 O ATOM 641 OD2 ASP A 43 -7.044 3.018 9.460 1.00 0.00 O ATOM 0 H ASP A 43 -7.254 1.148 5.005 1.00 0.00 H new ATOM 0 HA ASP A 43 -7.974 3.609 6.265 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -7.288 1.024 7.052 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -5.886 1.957 7.536 1.00 0.00 H new ATOM 646 N TRP A 44 -4.911 3.234 5.148 1.00 0.00 N ATOM 647 CA TRP A 44 -3.658 3.933 4.868 1.00 0.00 C ATOM 648 C TRP A 44 -3.887 5.166 4.000 1.00 0.00 C ATOM 649 O TRP A 44 -3.346 6.238 4.275 1.00 0.00 O ATOM 650 CB TRP A 44 -2.680 2.994 4.156 1.00 0.00 C ATOM 651 CG TRP A 44 -1.731 2.282 5.074 1.00 0.00 C ATOM 652 CD1 TRP A 44 -1.565 2.483 6.415 1.00 0.00 C ATOM 653 CD2 TRP A 44 -0.808 1.250 4.706 1.00 0.00 C ATOM 654 NE1 TRP A 44 -0.597 1.637 6.902 1.00 0.00 N ATOM 655 CE2 TRP A 44 -0.117 0.870 5.872 1.00 0.00 C ATOM 656 CE3 TRP A 44 -0.502 0.609 3.502 1.00 0.00 C ATOM 657 CZ2 TRP A 44 0.862 -0.121 5.867 1.00 0.00 C ATOM 658 CZ3 TRP A 44 0.469 -0.374 3.498 1.00 0.00 C ATOM 659 CH2 TRP A 44 1.141 -0.731 4.674 1.00 0.00 C ATOM 0 H TRP A 44 -4.967 2.299 4.745 1.00 0.00 H new ATOM 0 HA TRP A 44 -3.240 4.253 5.822 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -3.249 2.253 3.594 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -2.104 3.569 3.431 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -2.114 3.201 7.006 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -0.286 1.588 7.872 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -1.016 0.877 2.591 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 1.382 -0.398 6.772 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 0.714 -0.875 2.573 1.00 0.00 H new ATOM 0 HH2 TRP A 44 1.895 -1.504 4.639 1.00 0.00 H new ATOM 670 N MET A 45 -4.681 5.009 2.947 1.00 0.00 N ATOM 671 CA MET A 45 -4.959 6.116 2.042 1.00 0.00 C ATOM 672 C MET A 45 -5.863 7.156 2.692 1.00 0.00 C ATOM 673 O MET A 45 -5.672 8.358 2.495 1.00 0.00 O ATOM 674 CB MET A 45 -5.564 5.616 0.729 1.00 0.00 C ATOM 675 CG MET A 45 -6.915 4.950 0.881 1.00 0.00 C ATOM 676 SD MET A 45 -7.076 3.490 -0.164 1.00 0.00 S ATOM 677 CE MET A 45 -7.757 4.215 -1.650 1.00 0.00 C ATOM 0 H MET A 45 -5.140 4.132 2.701 1.00 0.00 H new ATOM 0 HA MET A 45 -4.008 6.598 1.816 1.00 0.00 H new ATOM 0 HB2 MET A 45 -5.662 6.458 0.043 1.00 0.00 H new ATOM 0 HB3 MET A 45 -4.873 4.909 0.270 1.00 0.00 H new ATOM 0 HG2 MET A 45 -7.063 4.667 1.923 1.00 0.00 H new ATOM 0 HG3 MET A 45 -7.700 5.663 0.629 1.00 0.00 H new ATOM 0 HE1 MET A 45 -7.914 3.436 -2.396 1.00 0.00 H new ATOM 0 HE2 MET A 45 -8.709 4.693 -1.418 1.00 0.00 H new ATOM 0 HE3 MET A 45 -7.064 4.959 -2.043 1.00 0.00 H new ATOM 687 N ASN A 46 -6.831 6.708 3.489 1.00 0.00 N ATOM 688 CA ASN A 46 -7.724 7.637 4.170 1.00 0.00 C ATOM 689 C ASN A 46 -6.968 8.362 5.277 1.00 0.00 C ATOM 690 O ASN A 46 -7.150 9.562 5.487 1.00 0.00 O ATOM 691 CB ASN A 46 -8.927 6.892 4.752 1.00 0.00 C ATOM 692 CG ASN A 46 -10.225 7.653 4.565 1.00 0.00 C ATOM 693 OD1 ASN A 46 -10.378 8.419 3.614 1.00 0.00 O ATOM 694 ND2 ASN A 46 -11.170 7.443 5.475 1.00 0.00 N ATOM 0 H ASN A 46 -7.014 5.722 3.676 1.00 0.00 H new ATOM 0 HA ASN A 46 -8.088 8.369 3.449 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -9.010 5.915 4.276 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -8.762 6.716 5.815 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -12.065 7.926 5.401 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -11.000 6.799 6.247 1.00 0.00 H new ATOM 701 N PHE A 47 -6.104 7.623 5.971 1.00 0.00 N ATOM 702 CA PHE A 47 -5.305 8.197 7.044 1.00 0.00 C ATOM 703 C PHE A 47 -4.411 9.302 6.496 1.00 0.00 C ATOM 704 O PHE A 47 -4.312 10.373 7.078 1.00 0.00 O ATOM 705 CB PHE A 47 -4.453 7.113 7.728 1.00 0.00 C ATOM 706 CG PHE A 47 -2.981 7.426 7.780 1.00 0.00 C ATOM 707 CD1 PHE A 47 -2.499 8.405 8.634 1.00 0.00 C ATOM 708 CD2 PHE A 47 -2.085 6.750 6.967 1.00 0.00 C ATOM 709 CE1 PHE A 47 -1.150 8.703 8.677 1.00 0.00 C ATOM 710 CE2 PHE A 47 -0.736 7.042 7.007 1.00 0.00 C ATOM 711 CZ PHE A 47 -0.268 8.020 7.862 1.00 0.00 C ATOM 0 H PHE A 47 -5.942 6.629 5.808 1.00 0.00 H new ATOM 0 HA PHE A 47 -5.979 8.622 7.787 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -4.818 6.968 8.745 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -4.594 6.170 7.201 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -3.185 8.941 9.273 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -2.446 5.986 6.294 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -0.786 9.468 9.346 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -0.048 6.506 6.370 1.00 0.00 H new ATOM 0 HZ PHE A 47 0.787 8.251 7.894 1.00 0.00 H new ATOM 721 N TYR A 48 -3.759 9.022 5.373 1.00 0.00 N ATOM 722 CA TYR A 48 -2.865 9.986 4.743 1.00 0.00 C ATOM 723 C TYR A 48 -3.616 11.244 4.328 1.00 0.00 C ATOM 724 O TYR A 48 -3.171 12.358 4.592 1.00 0.00 O ATOM 725 CB TYR A 48 -2.192 9.363 3.519 1.00 0.00 C ATOM 726 CG TYR A 48 -0.899 8.639 3.826 1.00 0.00 C ATOM 727 CD1 TYR A 48 0.111 9.255 4.553 1.00 0.00 C ATOM 728 CD2 TYR A 48 -0.689 7.341 3.380 1.00 0.00 C ATOM 729 CE1 TYR A 48 1.294 8.596 4.829 1.00 0.00 C ATOM 730 CE2 TYR A 48 0.491 6.676 3.650 1.00 0.00 C ATOM 731 CZ TYR A 48 1.479 7.307 4.375 1.00 0.00 C ATOM 732 OH TYR A 48 2.657 6.649 4.646 1.00 0.00 O ATOM 0 H TYR A 48 -3.833 8.133 4.879 1.00 0.00 H new ATOM 0 HA TYR A 48 -2.105 10.263 5.474 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -2.886 8.663 3.053 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -1.992 10.147 2.789 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -0.030 10.265 4.908 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -1.461 6.843 2.812 1.00 0.00 H new ATOM 0 HE1 TYR A 48 2.070 9.088 5.397 1.00 0.00 H new ATOM 0 HE2 TYR A 48 0.639 5.667 3.295 1.00 0.00 H new ATOM 0 HH TYR A 48 3.104 7.078 5.405 1.00 0.00 H new ATOM 742 N ILE A 49 -4.750 11.060 3.663 1.00 0.00 N ATOM 743 CA ILE A 49 -5.554 12.184 3.201 1.00 0.00 C ATOM 744 C ILE A 49 -5.897 13.134 4.357 1.00 0.00 C ATOM 745 O ILE A 49 -5.608 14.333 4.298 1.00 0.00 O ATOM 746 CB ILE A 49 -6.842 11.670 2.502 1.00 0.00 C ATOM 747 CG1 ILE A 49 -6.661 11.663 0.976 1.00 0.00 C ATOM 748 CG2 ILE A 49 -8.063 12.496 2.887 1.00 0.00 C ATOM 749 CD1 ILE A 49 -5.283 11.234 0.519 1.00 0.00 C ATOM 0 H ILE A 49 -5.133 10.143 3.432 1.00 0.00 H new ATOM 0 HA ILE A 49 -4.968 12.749 2.476 1.00 0.00 H new ATOM 0 HB ILE A 49 -7.013 10.649 2.843 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -7.402 10.996 0.536 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -6.865 12.663 0.592 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -8.943 12.104 2.377 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -8.214 12.441 3.965 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -7.907 13.534 2.595 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -5.238 11.256 -0.570 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -4.536 11.915 0.927 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -5.082 10.222 0.870 1.00 0.00 H new ATOM 761 N ASN A 50 -6.502 12.593 5.409 1.00 0.00 N ATOM 762 CA ASN A 50 -6.872 13.398 6.572 1.00 0.00 C ATOM 763 C ASN A 50 -5.634 13.854 7.341 1.00 0.00 C ATOM 764 O ASN A 50 -5.584 14.970 7.858 1.00 0.00 O ATOM 765 CB ASN A 50 -7.795 12.599 7.494 1.00 0.00 C ATOM 766 CG ASN A 50 -8.584 13.489 8.435 1.00 0.00 C ATOM 767 OD1 ASN A 50 -9.317 14.376 8.000 1.00 0.00 O ATOM 768 ND2 ASN A 50 -8.436 13.253 9.734 1.00 0.00 N ATOM 0 H ASN A 50 -6.747 11.605 5.482 1.00 0.00 H new ATOM 0 HA ASN A 50 -7.399 14.284 6.217 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -8.486 12.010 6.890 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -7.201 11.895 8.077 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -8.942 13.819 10.416 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -7.817 12.506 10.049 1.00 0.00 H new ATOM 775 N TYR A 51 -4.641 12.977 7.412 1.00 0.00 N ATOM 776 CA TYR A 51 -3.396 13.263 8.117 1.00 0.00 C ATOM 777 C TYR A 51 -2.682 14.457 7.495 1.00 0.00 C ATOM 778 O TYR A 51 -2.187 15.336 8.200 1.00 0.00 O ATOM 779 CB TYR A 51 -2.508 12.016 8.079 1.00 0.00 C ATOM 780 CG TYR A 51 -1.114 12.195 8.634 1.00 0.00 C ATOM 781 CD1 TYR A 51 -0.897 12.767 9.880 1.00 0.00 C ATOM 782 CD2 TYR A 51 -0.012 11.762 7.909 1.00 0.00 C ATOM 783 CE1 TYR A 51 0.380 12.904 10.386 1.00 0.00 C ATOM 784 CE2 TYR A 51 1.268 11.898 8.406 1.00 0.00 C ATOM 785 CZ TYR A 51 1.460 12.469 9.646 1.00 0.00 C ATOM 786 OH TYR A 51 2.734 12.604 10.149 1.00 0.00 O ATOM 0 H TYR A 51 -4.674 12.051 6.985 1.00 0.00 H new ATOM 0 HA TYR A 51 -3.617 13.520 9.153 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -3.003 11.221 8.637 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -2.429 11.679 7.046 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -1.740 13.110 10.462 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -0.159 11.311 6.939 1.00 0.00 H new ATOM 0 HE1 TYR A 51 0.533 13.350 11.358 1.00 0.00 H new ATOM 0 HE2 TYR A 51 2.114 11.559 7.827 1.00 0.00 H new ATOM 0 HH TYR A 51 3.380 12.247 9.504 1.00 0.00 H new ATOM 796 N TYR A 52 -2.637 14.481 6.170 1.00 0.00 N ATOM 797 CA TYR A 52 -1.990 15.568 5.448 1.00 0.00 C ATOM 798 C TYR A 52 -2.847 16.819 5.455 1.00 0.00 C ATOM 799 O TYR A 52 -2.326 17.931 5.420 1.00 0.00 O ATOM 800 CB TYR A 52 -1.680 15.142 4.019 1.00 0.00 C ATOM 801 CG TYR A 52 -0.542 14.166 3.960 1.00 0.00 C ATOM 802 CD1 TYR A 52 0.652 14.442 4.608 1.00 0.00 C ATOM 803 CD2 TYR A 52 -0.665 12.964 3.284 1.00 0.00 C ATOM 804 CE1 TYR A 52 1.695 13.545 4.587 1.00 0.00 C ATOM 805 CE2 TYR A 52 0.375 12.060 3.253 1.00 0.00 C ATOM 806 CZ TYR A 52 1.555 12.355 3.908 1.00 0.00 C ATOM 807 OH TYR A 52 2.592 11.454 3.896 1.00 0.00 O ATOM 0 H TYR A 52 -3.041 13.760 5.573 1.00 0.00 H new ATOM 0 HA TYR A 52 -1.055 15.801 5.956 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -2.567 14.692 3.574 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -1.435 16.021 3.423 1.00 0.00 H new ATOM 0 HD1 TYR A 52 0.765 15.376 5.138 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -1.588 12.732 2.774 1.00 0.00 H new ATOM 0 HE1 TYR A 52 2.618 13.773 5.100 1.00 0.00 H new ATOM 0 HE2 TYR A 52 0.268 11.127 2.720 1.00 0.00 H new ATOM 0 HH TYR A 52 2.260 10.569 4.154 1.00 0.00 H new ATOM 817 N ARG A 53 -4.160 16.643 5.519 1.00 0.00 N ATOM 818 CA ARG A 53 -5.065 17.781 5.556 1.00 0.00 C ATOM 819 C ARG A 53 -4.734 18.678 6.745 1.00 0.00 C ATOM 820 O ARG A 53 -4.996 19.881 6.723 1.00 0.00 O ATOM 821 CB ARG A 53 -6.517 17.298 5.651 1.00 0.00 C ATOM 822 CG ARG A 53 -7.534 18.423 5.778 1.00 0.00 C ATOM 823 CD ARG A 53 -8.625 18.078 6.779 1.00 0.00 C ATOM 824 NE ARG A 53 -9.678 17.261 6.180 1.00 0.00 N ATOM 825 CZ ARG A 53 -10.588 16.591 6.884 1.00 0.00 C ATOM 826 NH1 ARG A 53 -10.578 16.637 8.210 1.00 0.00 N ATOM 827 NH2 ARG A 53 -11.512 15.874 6.258 1.00 0.00 N ATOM 0 H ARG A 53 -4.618 15.732 5.546 1.00 0.00 H new ATOM 0 HA ARG A 53 -4.944 18.355 4.637 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -6.752 16.707 4.765 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -6.614 16.635 6.511 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -7.029 19.338 6.089 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -7.982 18.622 4.804 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -8.188 17.544 7.623 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -9.059 18.997 7.174 1.00 0.00 H new ATOM 0 HE ARG A 53 -9.718 17.200 5.163 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -9.870 17.188 8.696 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -11.278 16.121 8.743 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -11.525 15.837 5.239 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -12.210 15.360 6.796 1.00 0.00 H new ATOM 841 N GLN A 54 -4.170 18.078 7.792 1.00 0.00 N ATOM 842 CA GLN A 54 -3.823 18.812 9.001 1.00 0.00 C ATOM 843 C GLN A 54 -2.328 19.131 9.084 1.00 0.00 C ATOM 844 O GLN A 54 -1.918 19.966 9.891 1.00 0.00 O ATOM 845 CB GLN A 54 -4.244 18.007 10.231 1.00 0.00 C ATOM 846 CG GLN A 54 -5.696 18.219 10.628 1.00 0.00 C ATOM 847 CD GLN A 54 -6.251 17.069 11.444 1.00 0.00 C ATOM 848 OE1 GLN A 54 -6.529 17.214 12.634 1.00 0.00 O ATOM 849 NE2 GLN A 54 -6.414 15.916 10.806 1.00 0.00 N ATOM 0 H GLN A 54 -3.945 17.084 7.824 1.00 0.00 H new ATOM 0 HA GLN A 54 -4.358 19.761 8.968 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -4.080 16.947 10.035 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -3.603 18.279 11.070 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -5.781 19.141 11.203 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -6.300 18.347 9.729 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -6.170 15.841 9.818 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -6.783 15.106 11.303 1.00 0.00 H new ATOM 858 N GLN A 55 -1.508 18.466 8.270 1.00 0.00 N ATOM 859 CA GLN A 55 -0.064 18.699 8.297 1.00 0.00 C ATOM 860 C GLN A 55 0.370 19.672 7.202 1.00 0.00 C ATOM 861 O GLN A 55 1.343 19.426 6.489 1.00 0.00 O ATOM 862 CB GLN A 55 0.683 17.374 8.136 1.00 0.00 C ATOM 863 CG GLN A 55 0.506 16.433 9.313 1.00 0.00 C ATOM 864 CD GLN A 55 1.272 16.886 10.539 1.00 0.00 C ATOM 865 OE1 GLN A 55 1.623 18.058 10.669 1.00 0.00 O ATOM 866 NE2 GLN A 55 1.535 15.955 11.446 1.00 0.00 N ATOM 0 H GLN A 55 -1.814 17.769 7.591 1.00 0.00 H new ATOM 0 HA GLN A 55 0.182 19.145 9.261 1.00 0.00 H new ATOM 0 HB2 GLN A 55 0.336 16.878 7.229 1.00 0.00 H new ATOM 0 HB3 GLN A 55 1.745 17.579 8.001 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -0.554 16.358 9.558 1.00 0.00 H new ATOM 0 HG3 GLN A 55 0.839 15.435 9.029 1.00 0.00 H new ATOM 0 HE21 GLN A 55 1.224 14.995 11.296 1.00 0.00 H new ATOM 0 HE22 GLN A 55 2.048 16.199 12.293 1.00 0.00 H new ATOM 875 N VAL A 56 -0.361 20.771 7.070 1.00 0.00 N ATOM 876 CA VAL A 56 -0.047 21.770 6.052 1.00 0.00 C ATOM 877 C VAL A 56 0.127 23.154 6.669 1.00 0.00 C ATOM 878 O VAL A 56 -0.270 23.392 7.810 1.00 0.00 O ATOM 879 CB VAL A 56 -1.141 21.850 4.962 1.00 0.00 C ATOM 880 CG1 VAL A 56 -0.520 21.892 3.573 1.00 0.00 C ATOM 881 CG2 VAL A 56 -2.124 20.695 5.075 1.00 0.00 C ATOM 0 H VAL A 56 -1.170 20.994 7.649 1.00 0.00 H new ATOM 0 HA VAL A 56 0.889 21.452 5.593 1.00 0.00 H new ATOM 0 HB VAL A 56 -1.695 22.775 5.120 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -1.309 21.948 2.823 1.00 0.00 H new ATOM 0 HG12 VAL A 56 0.124 22.768 3.489 1.00 0.00 H new ATOM 0 HG13 VAL A 56 0.071 20.990 3.411 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -2.879 20.782 4.294 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -1.591 19.751 4.961 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -2.607 20.723 6.052 1.00 0.00 H new ATOM 891 N THR A 57 0.717 24.065 5.902 1.00 0.00 N ATOM 892 CA THR A 57 0.944 25.432 6.352 1.00 0.00 C ATOM 893 C THR A 57 0.539 26.406 5.250 1.00 0.00 C ATOM 894 O THR A 57 0.258 25.991 4.126 1.00 0.00 O ATOM 895 CB THR A 57 2.415 25.636 6.719 1.00 0.00 C ATOM 896 OG1 THR A 57 3.260 25.127 5.703 1.00 0.00 O ATOM 897 CG2 THR A 57 2.805 24.967 8.019 1.00 0.00 C ATOM 0 H THR A 57 1.049 23.877 4.956 1.00 0.00 H new ATOM 0 HA THR A 57 0.338 25.619 7.239 1.00 0.00 H new ATOM 0 HB THR A 57 2.538 26.713 6.832 1.00 0.00 H new ATOM 0 HG1 THR A 57 4.196 25.268 5.955 1.00 0.00 H new ATOM 0 HG21 THR A 57 3.860 25.151 8.220 1.00 0.00 H new ATOM 0 HG22 THR A 57 2.204 25.374 8.832 1.00 0.00 H new ATOM 0 HG23 THR A 57 2.632 23.894 7.942 1.00 0.00 H new ATOM 905 N GLY A 58 0.519 27.698 5.561 1.00 0.00 N ATOM 906 CA GLY A 58 0.156 28.685 4.562 1.00 0.00 C ATOM 907 C GLY A 58 -1.342 28.789 4.348 1.00 0.00 C ATOM 908 O GLY A 58 -2.126 28.560 5.269 1.00 0.00 O ATOM 0 H GLY A 58 0.746 28.077 6.480 1.00 0.00 H new ATOM 0 HA2 GLY A 58 0.543 29.658 4.864 1.00 0.00 H new ATOM 0 HA3 GLY A 58 0.636 28.431 3.617 1.00 0.00 H new ATOM 912 N GLU A 59 -1.736 29.144 3.129 1.00 0.00 N ATOM 913 CA GLU A 59 -3.149 29.289 2.789 1.00 0.00 C ATOM 914 C GLU A 59 -3.847 27.932 2.731 1.00 0.00 C ATOM 915 O GLU A 59 -3.207 26.902 2.518 1.00 0.00 O ATOM 916 CB GLU A 59 -3.299 30.010 1.449 1.00 0.00 C ATOM 917 CG GLU A 59 -2.409 29.451 0.352 1.00 0.00 C ATOM 918 CD GLU A 59 -1.167 30.288 0.123 1.00 0.00 C ATOM 919 OE1 GLU A 59 -1.291 31.530 0.055 1.00 0.00 O ATOM 920 OE2 GLU A 59 -0.068 29.704 0.012 1.00 0.00 O ATOM 0 H GLU A 59 -1.096 29.337 2.358 1.00 0.00 H new ATOM 0 HA GLU A 59 -3.622 29.882 3.572 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -4.339 29.949 1.128 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -3.070 31.067 1.587 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -2.114 28.434 0.612 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -2.978 29.391 -0.576 1.00 0.00 H new ATOM 927 N PRO A 60 -5.178 27.919 2.921 1.00 0.00 N ATOM 928 CA PRO A 60 -5.972 26.684 2.893 1.00 0.00 C ATOM 929 C PRO A 60 -6.031 26.053 1.503 1.00 0.00 C ATOM 930 O PRO A 60 -6.224 24.844 1.368 1.00 0.00 O ATOM 931 CB PRO A 60 -7.367 27.147 3.324 1.00 0.00 C ATOM 932 CG PRO A 60 -7.411 28.594 2.981 1.00 0.00 C ATOM 933 CD PRO A 60 -6.014 29.106 3.181 1.00 0.00 C ATOM 0 HA PRO A 60 -5.542 25.915 3.535 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -8.147 26.593 2.801 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -7.524 26.989 4.391 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -7.738 28.742 1.952 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -8.117 29.126 3.619 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -5.782 29.920 2.494 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -5.866 29.489 4.191 1.00 0.00 H new ATOM 941 N GLN A 61 -5.871 26.878 0.472 1.00 0.00 N ATOM 942 CA GLN A 61 -5.916 26.401 -0.908 1.00 0.00 C ATOM 943 C GLN A 61 -4.832 25.362 -1.172 1.00 0.00 C ATOM 944 O GLN A 61 -5.073 24.349 -1.835 1.00 0.00 O ATOM 945 CB GLN A 61 -5.763 27.577 -1.876 1.00 0.00 C ATOM 946 CG GLN A 61 -6.877 27.665 -2.907 1.00 0.00 C ATOM 947 CD GLN A 61 -6.364 27.987 -4.297 1.00 0.00 C ATOM 948 OE1 GLN A 61 -5.465 28.811 -4.465 1.00 0.00 O ATOM 949 NE2 GLN A 61 -6.935 27.335 -5.303 1.00 0.00 N ATOM 0 H GLN A 61 -5.709 27.881 0.566 1.00 0.00 H new ATOM 0 HA GLN A 61 -6.884 25.926 -1.068 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -5.733 28.505 -1.305 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -4.807 27.490 -2.393 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -7.417 26.719 -2.934 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -7.590 28.431 -2.601 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -7.677 26.660 -5.118 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -6.632 27.509 -6.261 1.00 0.00 H new ATOM 958 N GLU A 62 -3.640 25.613 -0.647 1.00 0.00 N ATOM 959 CA GLU A 62 -2.523 24.695 -0.827 1.00 0.00 C ATOM 960 C GLU A 62 -2.848 23.335 -0.224 1.00 0.00 C ATOM 961 O GLU A 62 -2.638 22.300 -0.855 1.00 0.00 O ATOM 962 CB GLU A 62 -1.259 25.255 -0.183 1.00 0.00 C ATOM 963 CG GLU A 62 -0.604 26.364 -0.989 1.00 0.00 C ATOM 964 CD GLU A 62 0.549 25.864 -1.837 1.00 0.00 C ATOM 965 OE1 GLU A 62 1.516 25.320 -1.264 1.00 0.00 O ATOM 966 OE2 GLU A 62 0.484 26.014 -3.076 1.00 0.00 O ATOM 0 H GLU A 62 -3.422 26.442 -0.095 1.00 0.00 H new ATOM 0 HA GLU A 62 -2.351 24.577 -1.897 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -1.505 25.635 0.809 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -0.542 24.445 -0.046 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -1.350 26.829 -1.634 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -0.243 27.137 -0.311 1.00 0.00 H new ATOM 973 N ARG A 63 -3.373 23.346 0.997 1.00 0.00 N ATOM 974 CA ARG A 63 -3.736 22.102 1.672 1.00 0.00 C ATOM 975 C ARG A 63 -4.692 21.306 0.799 1.00 0.00 C ATOM 976 O ARG A 63 -4.495 20.116 0.559 1.00 0.00 O ATOM 977 CB ARG A 63 -4.398 22.335 3.048 1.00 0.00 C ATOM 978 CG ARG A 63 -4.541 23.789 3.486 1.00 0.00 C ATOM 979 CD ARG A 63 -3.517 24.145 4.549 1.00 0.00 C ATOM 980 NE ARG A 63 -3.844 25.385 5.244 1.00 0.00 N ATOM 981 CZ ARG A 63 -4.733 25.471 6.230 1.00 0.00 C ATOM 982 NH1 ARG A 63 -5.393 24.392 6.636 1.00 0.00 N ATOM 983 NH2 ARG A 63 -4.962 26.638 6.817 1.00 0.00 N ATOM 0 H ARG A 63 -3.556 24.192 1.536 1.00 0.00 H new ATOM 0 HA ARG A 63 -2.809 21.554 1.839 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -5.389 21.882 3.033 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -3.817 21.805 3.803 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -4.418 24.445 2.624 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -5.546 23.958 3.874 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -3.451 23.333 5.273 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -2.535 24.239 4.086 1.00 0.00 H new ATOM 0 HE ARG A 63 -3.362 26.237 4.957 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -5.219 23.491 6.191 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -6.073 24.465 7.393 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -4.456 27.470 6.513 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -5.644 26.704 7.573 1.00 0.00 H new ATOM 997 N ASP A 64 -5.741 21.977 0.345 1.00 0.00 N ATOM 998 CA ASP A 64 -6.750 21.339 -0.481 1.00 0.00 C ATOM 999 C ASP A 64 -6.137 20.684 -1.715 1.00 0.00 C ATOM 1000 O ASP A 64 -6.534 19.579 -2.085 1.00 0.00 O ATOM 1001 CB ASP A 64 -7.813 22.354 -0.902 1.00 0.00 C ATOM 1002 CG ASP A 64 -9.174 21.717 -1.102 1.00 0.00 C ATOM 1003 OD1 ASP A 64 -9.378 21.069 -2.150 1.00 0.00 O ATOM 1004 OD2 ASP A 64 -10.036 21.867 -0.211 1.00 0.00 O ATOM 0 H ASP A 64 -5.914 22.964 0.536 1.00 0.00 H new ATOM 0 HA ASP A 64 -7.216 20.556 0.117 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -7.888 23.133 -0.144 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -7.502 22.839 -1.828 1.00 0.00 H new ATOM 1009 N LYS A 65 -5.177 21.347 -2.361 1.00 0.00 N ATOM 1010 CA LYS A 65 -4.554 20.777 -3.550 1.00 0.00 C ATOM 1011 C LYS A 65 -3.824 19.484 -3.207 1.00 0.00 C ATOM 1012 O LYS A 65 -3.999 18.463 -3.869 1.00 0.00 O ATOM 1013 CB LYS A 65 -3.582 21.788 -4.166 1.00 0.00 C ATOM 1014 CG LYS A 65 -2.791 21.251 -5.349 1.00 0.00 C ATOM 1015 CD LYS A 65 -1.539 22.076 -5.599 1.00 0.00 C ATOM 1016 CE LYS A 65 -1.716 23.011 -6.785 1.00 0.00 C ATOM 1017 NZ LYS A 65 -0.477 23.789 -7.068 1.00 0.00 N ATOM 0 H LYS A 65 -4.821 22.262 -2.086 1.00 0.00 H new ATOM 0 HA LYS A 65 -5.334 20.547 -4.276 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -4.143 22.666 -4.487 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -2.884 22.119 -3.397 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -2.514 20.213 -5.162 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -3.417 21.258 -6.241 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -1.301 22.657 -4.708 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -0.694 21.412 -5.781 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -1.990 22.432 -7.667 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -2.539 23.698 -6.586 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -0.638 24.414 -7.883 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -0.229 24.362 -6.236 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 0.302 23.135 -7.283 1.00 0.00 H new ATOM 1031 N ALA A 66 -2.999 19.541 -2.173 1.00 0.00 N ATOM 1032 CA ALA A 66 -2.237 18.374 -1.747 1.00 0.00 C ATOM 1033 C ALA A 66 -3.165 17.208 -1.425 1.00 0.00 C ATOM 1034 O ALA A 66 -2.823 16.048 -1.653 1.00 0.00 O ATOM 1035 CB ALA A 66 -1.375 18.718 -0.543 1.00 0.00 C ATOM 0 H ALA A 66 -2.839 20.379 -1.614 1.00 0.00 H new ATOM 0 HA ALA A 66 -1.586 18.071 -2.567 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -0.811 17.837 -0.235 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -0.683 19.518 -0.807 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -2.012 19.046 0.278 1.00 0.00 H new ATOM 1041 N LEU A 67 -4.339 17.526 -0.889 1.00 0.00 N ATOM 1042 CA LEU A 67 -5.322 16.510 -0.526 1.00 0.00 C ATOM 1043 C LEU A 67 -5.969 15.881 -1.757 1.00 0.00 C ATOM 1044 O LEU A 67 -6.201 14.671 -1.793 1.00 0.00 O ATOM 1045 CB LEU A 67 -6.403 17.120 0.366 1.00 0.00 C ATOM 1046 CG LEU A 67 -6.118 17.061 1.868 1.00 0.00 C ATOM 1047 CD1 LEU A 67 -4.723 17.586 2.172 1.00 0.00 C ATOM 1048 CD2 LEU A 67 -7.167 17.854 2.633 1.00 0.00 C ATOM 0 H LEU A 67 -4.634 18.483 -0.696 1.00 0.00 H new ATOM 0 HA LEU A 67 -4.796 15.725 0.016 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -6.542 18.162 0.080 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -7.345 16.607 0.171 1.00 0.00 H new ATOM 0 HG LEU A 67 -6.165 16.020 2.189 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -4.541 17.535 3.245 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -3.984 16.979 1.649 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -4.643 18.621 1.839 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -6.953 17.804 3.701 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -7.147 18.894 2.307 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -8.154 17.433 2.440 1.00 0.00 H new ATOM 1060 N GLN A 68 -6.256 16.697 -2.770 1.00 0.00 N ATOM 1061 CA GLN A 68 -6.873 16.192 -3.990 1.00 0.00 C ATOM 1062 C GLN A 68 -5.862 15.402 -4.808 1.00 0.00 C ATOM 1063 O GLN A 68 -6.150 14.298 -5.271 1.00 0.00 O ATOM 1064 CB GLN A 68 -7.468 17.342 -4.817 1.00 0.00 C ATOM 1065 CG GLN A 68 -6.457 18.096 -5.671 1.00 0.00 C ATOM 1066 CD GLN A 68 -7.112 19.112 -6.585 1.00 0.00 C ATOM 1067 OE1 GLN A 68 -8.127 19.715 -6.237 1.00 0.00 O ATOM 1068 NE2 GLN A 68 -6.530 19.307 -7.764 1.00 0.00 N ATOM 0 H GLN A 68 -6.073 17.700 -2.769 1.00 0.00 H new ATOM 0 HA GLN A 68 -7.687 15.523 -3.712 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -8.246 16.941 -5.467 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -7.951 18.047 -4.140 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -5.744 18.603 -5.021 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -5.891 17.384 -6.271 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -5.689 18.785 -8.010 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -6.924 19.979 -8.422 1.00 0.00 H new ATOM 1077 N GLU A 69 -4.673 15.969 -4.979 1.00 0.00 N ATOM 1078 CA GLU A 69 -3.625 15.305 -5.735 1.00 0.00 C ATOM 1079 C GLU A 69 -3.237 14.001 -5.057 1.00 0.00 C ATOM 1080 O GLU A 69 -3.007 12.991 -5.718 1.00 0.00 O ATOM 1081 CB GLU A 69 -2.402 16.216 -5.872 1.00 0.00 C ATOM 1082 CG GLU A 69 -1.949 16.412 -7.310 1.00 0.00 C ATOM 1083 CD GLU A 69 -0.694 15.627 -7.638 1.00 0.00 C ATOM 1084 OE1 GLU A 69 0.287 15.729 -6.872 1.00 0.00 O ATOM 1085 OE2 GLU A 69 -0.692 14.912 -8.661 1.00 0.00 O ATOM 0 H GLU A 69 -4.414 16.882 -4.605 1.00 0.00 H new ATOM 0 HA GLU A 69 -4.004 15.084 -6.733 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -2.633 17.188 -5.436 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -1.579 15.795 -5.294 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -2.750 16.108 -7.984 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -1.767 17.472 -7.489 1.00 0.00 H new ATOM 1092 N LEU A 70 -3.179 14.027 -3.728 1.00 0.00 N ATOM 1093 CA LEU A 70 -2.833 12.838 -2.961 1.00 0.00 C ATOM 1094 C LEU A 70 -3.862 11.743 -3.197 1.00 0.00 C ATOM 1095 O LEU A 70 -3.515 10.601 -3.482 1.00 0.00 O ATOM 1096 CB LEU A 70 -2.744 13.162 -1.468 1.00 0.00 C ATOM 1097 CG LEU A 70 -1.353 13.564 -0.975 1.00 0.00 C ATOM 1098 CD1 LEU A 70 -1.452 14.322 0.339 1.00 0.00 C ATOM 1099 CD2 LEU A 70 -0.471 12.334 -0.819 1.00 0.00 C ATOM 0 H LEU A 70 -3.367 14.856 -3.164 1.00 0.00 H new ATOM 0 HA LEU A 70 -1.857 12.487 -3.296 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -3.440 13.971 -1.245 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -3.076 12.291 -0.902 1.00 0.00 H new ATOM 0 HG LEU A 70 -0.899 14.222 -1.716 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -0.453 14.600 0.675 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -2.050 15.222 0.196 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -1.924 13.688 1.090 1.00 0.00 H new ATOM 0 HD21 LEU A 70 0.516 12.636 -0.468 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -0.921 11.653 -0.097 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -0.375 11.831 -1.781 1.00 0.00 H new ATOM 1111 N ARG A 71 -5.133 12.102 -3.080 1.00 0.00 N ATOM 1112 CA ARG A 71 -6.216 11.148 -3.287 1.00 0.00 C ATOM 1113 C ARG A 71 -6.104 10.490 -4.659 1.00 0.00 C ATOM 1114 O ARG A 71 -6.246 9.273 -4.786 1.00 0.00 O ATOM 1115 CB ARG A 71 -7.573 11.843 -3.150 1.00 0.00 C ATOM 1116 CG ARG A 71 -8.735 10.879 -2.969 1.00 0.00 C ATOM 1117 CD ARG A 71 -9.290 10.415 -4.307 1.00 0.00 C ATOM 1118 NE ARG A 71 -9.703 11.536 -5.148 1.00 0.00 N ATOM 1119 CZ ARG A 71 -9.881 11.449 -6.465 1.00 0.00 C ATOM 1120 NH1 ARG A 71 -9.686 10.297 -7.094 1.00 0.00 N ATOM 1121 NH2 ARG A 71 -10.257 12.517 -7.155 1.00 0.00 N ATOM 0 H ARG A 71 -5.440 13.045 -2.843 1.00 0.00 H new ATOM 0 HA ARG A 71 -6.136 10.374 -2.524 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -7.539 12.523 -2.298 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -7.751 12.452 -4.037 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -8.406 10.015 -2.392 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -9.525 11.364 -2.395 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -8.534 9.829 -4.830 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -10.142 9.756 -4.137 1.00 0.00 H new ATOM 0 HE ARG A 71 -9.864 12.438 -4.700 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -9.398 9.471 -6.569 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -9.824 10.237 -8.103 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -10.410 13.405 -6.677 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -10.393 12.451 -8.164 1.00 0.00 H new ATOM 1135 N GLN A 72 -5.836 11.295 -5.685 1.00 0.00 N ATOM 1136 CA GLN A 72 -5.696 10.771 -7.038 1.00 0.00 C ATOM 1137 C GLN A 72 -4.407 9.961 -7.163 1.00 0.00 C ATOM 1138 O GLN A 72 -4.370 8.917 -7.822 1.00 0.00 O ATOM 1139 CB GLN A 72 -5.738 11.914 -8.069 1.00 0.00 C ATOM 1140 CG GLN A 72 -4.435 12.692 -8.227 1.00 0.00 C ATOM 1141 CD GLN A 72 -4.032 12.859 -9.680 1.00 0.00 C ATOM 1142 OE1 GLN A 72 -4.696 13.563 -10.442 1.00 0.00 O ATOM 1143 NE2 GLN A 72 -2.939 12.213 -10.069 1.00 0.00 N ATOM 0 H GLN A 72 -5.713 12.304 -5.605 1.00 0.00 H new ATOM 0 HA GLN A 72 -6.535 10.106 -7.244 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -6.015 11.498 -9.038 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -6.527 12.610 -7.784 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -4.544 13.675 -7.768 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -3.640 12.176 -7.689 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -2.420 11.641 -9.403 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -2.618 12.289 -11.034 1.00 0.00 H new ATOM 1152 N GLU A 73 -3.355 10.441 -6.509 1.00 0.00 N ATOM 1153 CA GLU A 73 -2.072 9.762 -6.534 1.00 0.00 C ATOM 1154 C GLU A 73 -2.179 8.411 -5.848 1.00 0.00 C ATOM 1155 O GLU A 73 -1.535 7.447 -6.258 1.00 0.00 O ATOM 1156 CB GLU A 73 -0.994 10.612 -5.854 1.00 0.00 C ATOM 1157 CG GLU A 73 0.300 10.694 -6.646 1.00 0.00 C ATOM 1158 CD GLU A 73 0.132 11.432 -7.961 1.00 0.00 C ATOM 1159 OE1 GLU A 73 0.212 12.678 -7.957 1.00 0.00 O ATOM 1160 OE2 GLU A 73 -0.079 10.762 -8.994 1.00 0.00 O ATOM 0 H GLU A 73 -3.369 11.298 -5.956 1.00 0.00 H new ATOM 0 HA GLU A 73 -1.786 9.610 -7.575 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -1.381 11.619 -5.699 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -0.782 10.197 -4.869 1.00 0.00 H new ATOM 0 HG2 GLU A 73 1.058 11.197 -6.046 1.00 0.00 H new ATOM 0 HG3 GLU A 73 0.666 9.686 -6.843 1.00 0.00 H new ATOM 1167 N LEU A 74 -3.035 8.329 -4.832 1.00 0.00 N ATOM 1168 CA LEU A 74 -3.260 7.075 -4.136 1.00 0.00 C ATOM 1169 C LEU A 74 -3.975 6.112 -5.074 1.00 0.00 C ATOM 1170 O LEU A 74 -3.622 4.942 -5.183 1.00 0.00 O ATOM 1171 CB LEU A 74 -4.104 7.319 -2.877 1.00 0.00 C ATOM 1172 CG LEU A 74 -3.364 7.919 -1.669 1.00 0.00 C ATOM 1173 CD1 LEU A 74 -3.069 6.848 -0.639 1.00 0.00 C ATOM 1174 CD2 LEU A 74 -2.071 8.618 -2.077 1.00 0.00 C ATOM 0 H LEU A 74 -3.580 9.115 -4.477 1.00 0.00 H new ATOM 0 HA LEU A 74 -2.306 6.644 -3.832 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -4.927 7.984 -3.140 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -4.546 6.371 -2.572 1.00 0.00 H new ATOM 0 HG LEU A 74 -4.023 8.669 -1.231 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -2.545 7.292 0.208 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -4.004 6.406 -0.296 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -2.445 6.075 -1.087 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -1.583 9.026 -1.192 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -1.407 7.901 -2.560 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -2.298 9.427 -2.771 1.00 0.00 H new ATOM 1186 N ASN A 75 -5.001 6.639 -5.739 1.00 0.00 N ATOM 1187 CA ASN A 75 -5.806 5.861 -6.674 1.00 0.00 C ATOM 1188 C ASN A 75 -4.928 5.188 -7.721 1.00 0.00 C ATOM 1189 O ASN A 75 -5.160 4.039 -8.096 1.00 0.00 O ATOM 1190 CB ASN A 75 -6.841 6.758 -7.356 1.00 0.00 C ATOM 1191 CG ASN A 75 -8.220 6.624 -6.738 1.00 0.00 C ATOM 1192 OD1 ASN A 75 -9.046 5.838 -7.201 1.00 0.00 O ATOM 1193 ND2 ASN A 75 -8.474 7.393 -5.686 1.00 0.00 N ATOM 0 H ASN A 75 -5.295 7.611 -5.645 1.00 0.00 H new ATOM 0 HA ASN A 75 -6.324 5.085 -6.110 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -6.516 7.797 -7.291 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -6.895 6.506 -8.415 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -9.384 7.346 -5.228 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -7.759 8.031 -5.336 1.00 0.00 H new ATOM 1200 N THR A 76 -3.915 5.909 -8.184 1.00 0.00 N ATOM 1201 CA THR A 76 -3.001 5.368 -9.183 1.00 0.00 C ATOM 1202 C THR A 76 -1.952 4.468 -8.530 1.00 0.00 C ATOM 1203 O THR A 76 -1.725 3.346 -8.971 1.00 0.00 O ATOM 1204 CB THR A 76 -2.322 6.496 -9.966 1.00 0.00 C ATOM 1205 OG1 THR A 76 -1.413 5.968 -10.916 1.00 0.00 O ATOM 1206 CG2 THR A 76 -1.557 7.467 -9.094 1.00 0.00 C ATOM 0 H THR A 76 -3.706 6.862 -7.887 1.00 0.00 H new ATOM 0 HA THR A 76 -3.584 4.766 -9.880 1.00 0.00 H new ATOM 0 HB THR A 76 -3.136 7.036 -10.449 1.00 0.00 H new ATOM 0 HG1 THR A 76 -0.990 6.703 -11.408 1.00 0.00 H new ATOM 0 HG21 THR A 76 -1.104 8.237 -9.718 1.00 0.00 H new ATOM 0 HG22 THR A 76 -2.239 7.932 -8.382 1.00 0.00 H new ATOM 0 HG23 THR A 76 -0.776 6.933 -8.553 1.00 0.00 H new ATOM 1214 N LEU A 77 -1.307 4.982 -7.489 1.00 0.00 N ATOM 1215 CA LEU A 77 -0.262 4.245 -6.774 1.00 0.00 C ATOM 1216 C LEU A 77 -0.759 2.910 -6.209 1.00 0.00 C ATOM 1217 O LEU A 77 -0.005 1.940 -6.143 1.00 0.00 O ATOM 1218 CB LEU A 77 0.301 5.107 -5.640 1.00 0.00 C ATOM 1219 CG LEU A 77 1.686 5.698 -5.902 1.00 0.00 C ATOM 1220 CD1 LEU A 77 1.960 6.855 -4.953 1.00 0.00 C ATOM 1221 CD2 LEU A 77 2.755 4.626 -5.762 1.00 0.00 C ATOM 0 H LEU A 77 -1.489 5.914 -7.116 1.00 0.00 H new ATOM 0 HA LEU A 77 0.520 4.018 -7.499 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -0.395 5.923 -5.445 1.00 0.00 H new ATOM 0 HB3 LEU A 77 0.346 4.503 -4.733 1.00 0.00 H new ATOM 0 HG LEU A 77 1.712 6.079 -6.923 1.00 0.00 H new ATOM 0 HD11 LEU A 77 2.950 7.264 -5.154 1.00 0.00 H new ATOM 0 HD12 LEU A 77 1.210 7.632 -5.101 1.00 0.00 H new ATOM 0 HD13 LEU A 77 1.916 6.499 -3.924 1.00 0.00 H new ATOM 0 HD21 LEU A 77 3.735 5.063 -5.952 1.00 0.00 H new ATOM 0 HD22 LEU A 77 2.729 4.216 -4.752 1.00 0.00 H new ATOM 0 HD23 LEU A 77 2.568 3.829 -6.482 1.00 0.00 H new ATOM 1233 N ALA A 78 -2.012 2.875 -5.771 1.00 0.00 N ATOM 1234 CA ALA A 78 -2.587 1.670 -5.173 1.00 0.00 C ATOM 1235 C ALA A 78 -2.846 0.556 -6.189 1.00 0.00 C ATOM 1236 O ALA A 78 -2.666 -0.622 -5.880 1.00 0.00 O ATOM 1237 CB ALA A 78 -3.877 2.019 -4.448 1.00 0.00 C ATOM 0 H ALA A 78 -2.653 3.667 -5.818 1.00 0.00 H new ATOM 0 HA ALA A 78 -1.849 1.286 -4.469 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -4.301 1.118 -4.005 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -3.668 2.746 -3.663 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -4.589 2.444 -5.156 1.00 0.00 H new ATOM 1243 N ASN A 79 -3.294 0.919 -7.385 1.00 0.00 N ATOM 1244 CA ASN A 79 -3.606 -0.073 -8.415 1.00 0.00 C ATOM 1245 C ASN A 79 -2.452 -1.054 -8.652 1.00 0.00 C ATOM 1246 O ASN A 79 -2.661 -2.267 -8.656 1.00 0.00 O ATOM 1247 CB ASN A 79 -3.965 0.628 -9.727 1.00 0.00 C ATOM 1248 CG ASN A 79 -5.449 0.916 -9.840 1.00 0.00 C ATOM 1249 OD1 ASN A 79 -5.980 1.780 -9.141 1.00 0.00 O ATOM 1250 ND2 ASN A 79 -6.127 0.191 -10.721 1.00 0.00 N ATOM 0 H ASN A 79 -3.450 1.887 -7.668 1.00 0.00 H new ATOM 0 HA ASN A 79 -4.458 -0.651 -8.056 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -3.409 1.563 -9.800 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -3.653 0.005 -10.566 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -7.129 0.339 -10.840 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -5.646 -0.514 -11.279 1.00 0.00 H new ATOM 1257 N PRO A 80 -1.221 -0.554 -8.860 1.00 0.00 N ATOM 1258 CA PRO A 80 -0.054 -1.409 -9.104 1.00 0.00 C ATOM 1259 C PRO A 80 0.385 -2.193 -7.870 1.00 0.00 C ATOM 1260 O PRO A 80 0.952 -3.282 -7.988 1.00 0.00 O ATOM 1261 CB PRO A 80 1.036 -0.417 -9.518 1.00 0.00 C ATOM 1262 CG PRO A 80 0.633 0.869 -8.889 1.00 0.00 C ATOM 1263 CD PRO A 80 -0.871 0.876 -8.889 1.00 0.00 C ATOM 0 HA PRO A 80 -0.271 -2.171 -9.852 1.00 0.00 H new ATOM 0 HB2 PRO A 80 2.017 -0.738 -9.169 1.00 0.00 H new ATOM 0 HB3 PRO A 80 1.097 -0.326 -10.602 1.00 0.00 H new ATOM 0 HG2 PRO A 80 1.024 0.947 -7.874 1.00 0.00 H new ATOM 0 HG3 PRO A 80 1.027 1.718 -9.448 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -1.270 1.405 -8.023 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -1.270 1.369 -9.775 1.00 0.00 H new ATOM 1271 N PHE A 81 0.129 -1.641 -6.687 1.00 0.00 N ATOM 1272 CA PHE A 81 0.509 -2.292 -5.439 1.00 0.00 C ATOM 1273 C PHE A 81 -0.260 -3.591 -5.233 1.00 0.00 C ATOM 1274 O PHE A 81 0.331 -4.644 -4.990 1.00 0.00 O ATOM 1275 CB PHE A 81 0.245 -1.341 -4.267 1.00 0.00 C ATOM 1276 CG PHE A 81 0.760 -1.825 -2.938 1.00 0.00 C ATOM 1277 CD1 PHE A 81 1.757 -2.786 -2.861 1.00 0.00 C ATOM 1278 CD2 PHE A 81 0.244 -1.307 -1.761 1.00 0.00 C ATOM 1279 CE1 PHE A 81 2.226 -3.221 -1.636 1.00 0.00 C ATOM 1280 CE2 PHE A 81 0.708 -1.738 -0.533 1.00 0.00 C ATOM 1281 CZ PHE A 81 1.701 -2.696 -0.471 1.00 0.00 C ATOM 0 H PHE A 81 -0.341 -0.743 -6.568 1.00 0.00 H new ATOM 0 HA PHE A 81 1.570 -2.535 -5.489 1.00 0.00 H new ATOM 0 HB2 PHE A 81 0.702 -0.376 -4.489 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -0.829 -1.174 -4.187 1.00 0.00 H new ATOM 0 HD1 PHE A 81 2.172 -3.199 -3.769 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -0.531 -0.556 -1.804 1.00 0.00 H new ATOM 0 HE1 PHE A 81 3.002 -3.971 -1.589 1.00 0.00 H new ATOM 0 HE2 PHE A 81 0.295 -1.327 0.376 1.00 0.00 H new ATOM 0 HZ PHE A 81 2.067 -3.034 0.487 1.00 0.00 H new ATOM 1291 N LEU A 82 -1.582 -3.510 -5.329 1.00 0.00 N ATOM 1292 CA LEU A 82 -2.430 -4.679 -5.149 1.00 0.00 C ATOM 1293 C LEU A 82 -2.078 -5.765 -6.159 1.00 0.00 C ATOM 1294 O LEU A 82 -2.244 -6.955 -5.886 1.00 0.00 O ATOM 1295 CB LEU A 82 -3.906 -4.296 -5.274 1.00 0.00 C ATOM 1296 CG LEU A 82 -4.380 -3.211 -4.302 1.00 0.00 C ATOM 1297 CD1 LEU A 82 -5.778 -2.738 -4.672 1.00 0.00 C ATOM 1298 CD2 LEU A 82 -4.351 -3.724 -2.869 1.00 0.00 C ATOM 0 H LEU A 82 -2.088 -2.648 -5.530 1.00 0.00 H new ATOM 0 HA LEU A 82 -2.256 -5.073 -4.148 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -4.092 -3.956 -6.293 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -4.511 -5.189 -5.121 1.00 0.00 H new ATOM 0 HG LEU A 82 -3.699 -2.363 -4.375 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -6.099 -1.967 -3.971 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -5.768 -2.328 -5.682 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -6.470 -3.579 -4.628 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -4.691 -2.938 -2.194 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -5.008 -4.589 -2.779 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -3.333 -4.012 -2.606 1.00 0.00 H new ATOM 1310 N ALA A 83 -1.576 -5.357 -7.322 1.00 0.00 N ATOM 1311 CA ALA A 83 -1.191 -6.308 -8.355 1.00 0.00 C ATOM 1312 C ALA A 83 0.068 -7.060 -7.943 1.00 0.00 C ATOM 1313 O ALA A 83 0.124 -8.286 -8.026 1.00 0.00 O ATOM 1314 CB ALA A 83 -0.975 -5.594 -9.681 1.00 0.00 C ATOM 0 H ALA A 83 -1.428 -4.379 -7.570 1.00 0.00 H new ATOM 0 HA ALA A 83 -1.999 -7.029 -8.479 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -0.688 -6.319 -10.442 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -1.898 -5.098 -9.982 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -0.184 -4.852 -9.570 1.00 0.00 H new ATOM 1320 N LYS A 84 1.074 -6.317 -7.486 1.00 0.00 N ATOM 1321 CA LYS A 84 2.327 -6.923 -7.047 1.00 0.00 C ATOM 1322 C LYS A 84 2.059 -7.942 -5.948 1.00 0.00 C ATOM 1323 O LYS A 84 2.651 -9.023 -5.924 1.00 0.00 O ATOM 1324 CB LYS A 84 3.294 -5.855 -6.535 1.00 0.00 C ATOM 1325 CG LYS A 84 3.932 -5.030 -7.641 1.00 0.00 C ATOM 1326 CD LYS A 84 3.831 -3.540 -7.357 1.00 0.00 C ATOM 1327 CE LYS A 84 3.879 -2.725 -8.640 1.00 0.00 C ATOM 1328 NZ LYS A 84 5.179 -2.880 -9.348 1.00 0.00 N ATOM 0 H LYS A 84 1.046 -5.300 -7.411 1.00 0.00 H new ATOM 0 HA LYS A 84 2.781 -7.425 -7.901 1.00 0.00 H new ATOM 0 HB2 LYS A 84 2.760 -5.188 -5.858 1.00 0.00 H new ATOM 0 HB3 LYS A 84 4.080 -6.337 -5.954 1.00 0.00 H new ATOM 0 HG2 LYS A 84 4.980 -5.311 -7.747 1.00 0.00 H new ATOM 0 HG3 LYS A 84 3.445 -5.254 -8.590 1.00 0.00 H new ATOM 0 HD2 LYS A 84 2.902 -3.332 -6.827 1.00 0.00 H new ATOM 0 HD3 LYS A 84 4.647 -3.237 -6.701 1.00 0.00 H new ATOM 0 HE2 LYS A 84 3.068 -3.036 -9.298 1.00 0.00 H new ATOM 0 HE3 LYS A 84 3.715 -1.673 -8.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 5.184 -2.282 -10.199 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 5.954 -2.591 -8.718 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 5.308 -3.875 -9.623 1.00 0.00 H new ATOM 1342 N TYR A 85 1.149 -7.595 -5.045 1.00 0.00 N ATOM 1343 CA TYR A 85 0.799 -8.490 -3.955 1.00 0.00 C ATOM 1344 C TYR A 85 0.011 -9.678 -4.481 1.00 0.00 C ATOM 1345 O TYR A 85 0.141 -10.790 -3.976 1.00 0.00 O ATOM 1346 CB TYR A 85 0.012 -7.761 -2.868 1.00 0.00 C ATOM 1347 CG TYR A 85 0.485 -8.110 -1.476 1.00 0.00 C ATOM 1348 CD1 TYR A 85 1.843 -8.149 -1.178 1.00 0.00 C ATOM 1349 CD2 TYR A 85 -0.418 -8.405 -0.465 1.00 0.00 C ATOM 1350 CE1 TYR A 85 2.286 -8.472 0.089 1.00 0.00 C ATOM 1351 CE2 TYR A 85 0.016 -8.727 0.806 1.00 0.00 C ATOM 1352 CZ TYR A 85 1.368 -8.759 1.077 1.00 0.00 C ATOM 1353 OH TYR A 85 1.801 -9.076 2.343 1.00 0.00 O ATOM 0 H TYR A 85 0.646 -6.708 -5.047 1.00 0.00 H new ATOM 0 HA TYR A 85 1.724 -8.853 -3.507 1.00 0.00 H new ATOM 0 HB2 TYR A 85 0.101 -6.685 -3.019 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -1.045 -8.009 -2.962 1.00 0.00 H new ATOM 0 HD1 TYR A 85 2.563 -7.923 -1.951 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -1.477 -8.383 -0.675 1.00 0.00 H new ATOM 0 HE1 TYR A 85 3.344 -8.500 0.305 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -0.699 -8.952 1.583 1.00 0.00 H new ATOM 0 HH TYR A 85 1.984 -8.253 2.842 1.00 0.00 H new ATOM 1363 N ARG A 86 -0.789 -9.445 -5.517 1.00 0.00 N ATOM 1364 CA ARG A 86 -1.568 -10.516 -6.120 1.00 0.00 C ATOM 1365 C ARG A 86 -0.627 -11.582 -6.670 1.00 0.00 C ATOM 1366 O ARG A 86 -0.865 -12.780 -6.522 1.00 0.00 O ATOM 1367 CB ARG A 86 -2.460 -9.969 -7.237 1.00 0.00 C ATOM 1368 CG ARG A 86 -3.773 -9.387 -6.738 1.00 0.00 C ATOM 1369 CD ARG A 86 -4.763 -10.480 -6.370 1.00 0.00 C ATOM 1370 NE ARG A 86 -6.110 -9.953 -6.160 1.00 0.00 N ATOM 1371 CZ ARG A 86 -6.510 -9.364 -5.035 1.00 0.00 C ATOM 1372 NH1 ARG A 86 -5.671 -9.223 -4.016 1.00 0.00 N ATOM 1373 NH2 ARG A 86 -7.752 -8.912 -4.929 1.00 0.00 N ATOM 0 H ARG A 86 -0.913 -8.531 -5.952 1.00 0.00 H new ATOM 0 HA ARG A 86 -2.210 -10.960 -5.359 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -1.914 -9.198 -7.782 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -2.673 -10.770 -7.945 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -3.586 -8.757 -5.869 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -4.205 -8.748 -7.508 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -4.786 -11.229 -7.162 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -4.426 -10.984 -5.464 1.00 0.00 H new ATOM 0 HE ARG A 86 -6.784 -10.042 -6.921 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -4.714 -9.567 -4.092 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -5.984 -8.771 -3.157 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -8.401 -9.016 -5.709 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -8.059 -8.461 -4.067 1.00 0.00 H new ATOM 1387 N ASP A 87 0.461 -11.125 -7.288 1.00 0.00 N ATOM 1388 CA ASP A 87 1.467 -12.021 -7.845 1.00 0.00 C ATOM 1389 C ASP A 87 2.278 -12.670 -6.726 1.00 0.00 C ATOM 1390 O ASP A 87 2.742 -13.803 -6.852 1.00 0.00 O ATOM 1391 CB ASP A 87 2.398 -11.255 -8.786 1.00 0.00 C ATOM 1392 CG ASP A 87 1.776 -11.021 -10.149 1.00 0.00 C ATOM 1393 OD1 ASP A 87 0.821 -10.222 -10.237 1.00 0.00 O ATOM 1394 OD2 ASP A 87 2.245 -11.637 -11.129 1.00 0.00 O ATOM 0 H ASP A 87 0.667 -10.134 -7.415 1.00 0.00 H new ATOM 0 HA ASP A 87 0.958 -12.802 -8.410 1.00 0.00 H new ATOM 0 HB2 ASP A 87 2.655 -10.296 -8.337 1.00 0.00 H new ATOM 0 HB3 ASP A 87 3.328 -11.811 -8.904 1.00 0.00 H new ATOM 1399 N PHE A 88 2.436 -11.935 -5.627 1.00 0.00 N ATOM 1400 CA PHE A 88 3.181 -12.413 -4.464 1.00 0.00 C ATOM 1401 C PHE A 88 2.365 -13.426 -3.663 1.00 0.00 C ATOM 1402 O PHE A 88 2.918 -14.317 -3.018 1.00 0.00 O ATOM 1403 CB PHE A 88 3.568 -11.234 -3.572 1.00 0.00 C ATOM 1404 CG PHE A 88 4.516 -11.601 -2.466 1.00 0.00 C ATOM 1405 CD1 PHE A 88 5.788 -12.064 -2.753 1.00 0.00 C ATOM 1406 CD2 PHE A 88 4.131 -11.482 -1.141 1.00 0.00 C ATOM 1407 CE1 PHE A 88 6.662 -12.402 -1.738 1.00 0.00 C ATOM 1408 CE2 PHE A 88 5.000 -11.819 -0.121 1.00 0.00 C ATOM 1409 CZ PHE A 88 6.267 -12.279 -0.421 1.00 0.00 C ATOM 0 H PHE A 88 2.053 -10.996 -5.518 1.00 0.00 H new ATOM 0 HA PHE A 88 4.083 -12.910 -4.820 1.00 0.00 H new ATOM 0 HB2 PHE A 88 4.024 -10.458 -4.187 1.00 0.00 H new ATOM 0 HB3 PHE A 88 2.664 -10.806 -3.138 1.00 0.00 H new ATOM 0 HD1 PHE A 88 6.101 -12.162 -3.782 1.00 0.00 H new ATOM 0 HD2 PHE A 88 3.141 -11.122 -0.902 1.00 0.00 H new ATOM 0 HE1 PHE A 88 7.652 -12.762 -1.974 1.00 0.00 H new ATOM 0 HE2 PHE A 88 4.689 -11.723 0.909 1.00 0.00 H new ATOM 0 HZ PHE A 88 6.949 -12.542 0.374 1.00 0.00 H new ATOM 1419 N LEU A 89 1.046 -13.287 -3.723 1.00 0.00 N ATOM 1420 CA LEU A 89 0.157 -14.203 -3.016 1.00 0.00 C ATOM 1421 C LEU A 89 0.044 -15.511 -3.797 1.00 0.00 C ATOM 1422 O LEU A 89 0.120 -16.602 -3.230 1.00 0.00 O ATOM 1423 CB LEU A 89 -1.227 -13.574 -2.837 1.00 0.00 C ATOM 1424 CG LEU A 89 -1.494 -12.982 -1.451 1.00 0.00 C ATOM 1425 CD1 LEU A 89 -1.287 -14.034 -0.372 1.00 0.00 C ATOM 1426 CD2 LEU A 89 -0.598 -11.778 -1.204 1.00 0.00 C ATOM 0 H LEU A 89 0.570 -12.555 -4.250 1.00 0.00 H new ATOM 0 HA LEU A 89 0.571 -14.408 -2.029 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -1.351 -12.788 -3.582 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -1.983 -14.331 -3.044 1.00 0.00 H new ATOM 0 HG LEU A 89 -2.532 -12.651 -1.412 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -1.481 -13.595 0.606 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -1.971 -14.866 -0.539 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -0.260 -14.396 -0.409 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -0.802 -11.370 -0.214 1.00 0.00 H new ATOM 0 HD22 LEU A 89 0.447 -12.084 -1.263 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -0.796 -11.016 -1.958 1.00 0.00 H new