USER MOD reduce.3.24.130724 H: found=0, std=0, add=656, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 653 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 5 CYS SG : rot 100:sc= 2.01 USER MOD Set 1.2: A 10 CYS SG : rot 167:sc= -1.09! USER MOD Set 1.3: A 12 ASN : amide:sc= -0.243 K(o=-7.7,f=-11) USER MOD Set 1.4: A 54 CYS SG : rot -80:sc= -4.25! USER MOD Set 1.5: A 57 HIS : no HD1:sc= -4.08! C(o=-7.7!,f=-21!) USER MOD Single : A 3 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 4 SER OG : rot 85:sc= 0.169 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ -167:sc= 1.17 (180deg=0.959) USER MOD Single : A 18 LYS NZ :NH3+ -150:sc= 0.162 (180deg=-0.771!) USER MOD Single : A 21 SER OG : rot 180:sc= 0.0211 USER MOD Single : A 23 HIS :FLIP no HE2:sc= -8.22! C(o=-9.8!,f=-8.2!) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0.192 USER MOD Single : A 33 CYS SG : rot 53:sc= -3.15! USER MOD Single : A 34 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0341) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 ASN : amide:sc= -0.986! C(o=-0.99!,f=-10!) USER MOD Single : A 46 LYS NZ :NH3+ 164:sc= -0.218 (180deg=-0.841) USER MOD Single : A 48 THR OG1 : rot -170:sc= -0.0437 USER MOD Single : A 49 LYS NZ :NH3+ -155:sc= 1.17 (180deg=0.0255) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 124:sc= -5.21! USER MOD Single : A 52 SER OG : rot 180:sc= 0.0131 USER MOD Single : A 55 SER OG : rot 102:sc= -2.37! USER MOD Single : A 59 THR OG1 : rot 180:sc= 0.00561 USER MOD Single : A 62 SER OG : rot -147:sc= -3.38! USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot -131:sc= -3.14! USER MOD Single : A 68 ASN : amide:sc= 0 K(o=0,f=-0.67) USER MOD Single : A 69 ASN : amide:sc= -0.0516 X(o=-0.052,f=-0.52) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ -154:sc= 0 (180deg=-0.0552) USER MOD Single : A 75 ASN :FLIP amide:sc= -0.0215 F(o=-0.59,f=-0.022) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 36 N GLN A 3 -7.935 -4.241 -5.974 1.00 10.00 N ATOM 37 CA GLN A 3 -9.339 -3.896 -5.905 1.00 10.00 C ATOM 38 C GLN A 3 -9.518 -2.380 -5.940 1.00 10.00 C ATOM 39 O GLN A 3 -10.118 -1.857 -6.882 1.00 10.00 O ATOM 40 CB GLN A 3 -9.966 -4.494 -4.635 1.00 10.00 C ATOM 41 CG GLN A 3 -10.130 -6.007 -4.699 1.00 10.00 C ATOM 42 CD GLN A 3 -10.373 -6.650 -3.339 1.00 10.00 C ATOM 43 OE1 GLN A 3 -9.433 -7.071 -2.662 1.00 10.00 O ATOM 44 NE2 GLN A 3 -11.632 -6.737 -2.929 1.00 10.00 N ATOM 0 HA GLN A 3 -9.850 -4.315 -6.772 1.00 10.00 H new ATOM 0 HB2 GLN A 3 -9.345 -4.239 -3.777 1.00 10.00 H new ATOM 0 HB3 GLN A 3 -10.941 -4.036 -4.470 1.00 10.00 H new ATOM 0 HG2 GLN A 3 -10.963 -6.247 -5.359 1.00 10.00 H new ATOM 0 HG3 GLN A 3 -9.235 -6.443 -5.144 1.00 10.00 H new ATOM 0 HE21 GLN A 3 -12.385 -6.378 -3.515 1.00 10.00 H new ATOM 0 HE22 GLN A 3 -11.846 -7.163 -2.027 1.00 10.00 H new ATOM 53 N SER A 4 -8.984 -1.678 -4.933 1.00 10.00 N ATOM 54 CA SER A 4 -9.084 -0.221 -4.891 1.00 10.00 C ATOM 55 C SER A 4 -8.420 0.348 -3.627 1.00 10.00 C ATOM 56 O SER A 4 -8.036 -0.399 -2.722 1.00 10.00 O ATOM 57 CB SER A 4 -10.578 0.158 -4.909 1.00 10.00 C ATOM 58 OG SER A 4 -10.906 1.209 -4.006 1.00 10.00 O ATOM 0 H SER A 4 -8.484 -2.093 -4.146 1.00 10.00 H new ATOM 0 HA SER A 4 -8.567 0.199 -5.754 1.00 10.00 H new ATOM 0 HB2 SER A 4 -10.857 0.457 -5.919 1.00 10.00 H new ATOM 0 HB3 SER A 4 -11.171 -0.722 -4.661 1.00 10.00 H new ATOM 0 HG SER A 4 -10.738 2.074 -4.436 1.00 10.00 H new ATOM 64 N CYS A 5 -8.279 1.682 -3.593 1.00 10.00 N ATOM 65 CA CYS A 5 -7.620 2.374 -2.483 1.00 10.00 C ATOM 66 C CYS A 5 -8.659 2.583 -1.388 1.00 10.00 C ATOM 67 O CYS A 5 -9.862 2.413 -1.584 1.00 10.00 O ATOM 68 CB CYS A 5 -7.072 3.721 -2.968 1.00 10.00 C ATOM 69 SG CYS A 5 -6.569 3.723 -4.700 1.00 10.00 S ATOM 0 H CYS A 5 -8.616 2.303 -4.328 1.00 10.00 H new ATOM 0 HA CYS A 5 -6.785 1.788 -2.099 1.00 10.00 H new ATOM 0 HB2 CYS A 5 -7.833 4.487 -2.820 1.00 10.00 H new ATOM 0 HB3 CYS A 5 -6.217 3.998 -2.351 1.00 10.00 H new ATOM 0 HG CYS A 5 -7.503 4.267 -5.423 1.00 10.00 H new ATOM 74 N SER A 6 -8.115 2.971 -0.217 1.00 10.00 N ATOM 75 CA SER A 6 -8.869 3.260 0.992 1.00 10.00 C ATOM 76 C SER A 6 -9.601 4.605 0.900 1.00 10.00 C ATOM 77 O SER A 6 -10.215 5.049 1.866 1.00 10.00 O ATOM 78 CB SER A 6 -7.905 3.246 2.188 1.00 10.00 C ATOM 79 OG SER A 6 -8.601 3.181 3.420 1.00 10.00 O ATOM 0 H SER A 6 -7.109 3.092 -0.096 1.00 10.00 H new ATOM 0 HA SER A 6 -9.634 2.495 1.121 1.00 10.00 H new ATOM 0 HB2 SER A 6 -7.233 2.392 2.104 1.00 10.00 H new ATOM 0 HB3 SER A 6 -7.285 4.142 2.167 1.00 10.00 H new ATOM 0 HG SER A 6 -7.958 3.172 4.159 1.00 10.00 H new ATOM 85 N ALA A 7 -9.482 5.263 -0.252 1.00 10.00 N ATOM 86 CA ALA A 7 -10.157 6.542 -0.504 1.00 10.00 C ATOM 87 C ALA A 7 -11.682 6.455 -0.349 1.00 10.00 C ATOM 88 O ALA A 7 -12.222 5.596 0.347 1.00 10.00 O ATOM 89 CB ALA A 7 -9.801 7.035 -1.893 1.00 10.00 C ATOM 0 H ALA A 7 -8.919 4.930 -1.035 1.00 10.00 H new ATOM 0 HA ALA A 7 -9.807 7.248 0.249 1.00 10.00 H new ATOM 0 HB1 ALA A 7 -10.302 7.985 -2.081 1.00 10.00 H new ATOM 0 HB2 ALA A 7 -8.722 7.173 -1.965 1.00 10.00 H new ATOM 0 HB3 ALA A 7 -10.123 6.302 -2.633 1.00 10.00 H new ATOM 95 N TYR A 8 -12.389 7.311 -1.065 1.00 10.00 N ATOM 96 CA TYR A 8 -13.839 7.350 -0.983 1.00 10.00 C ATOM 97 C TYR A 8 -14.412 6.799 -2.282 1.00 10.00 C ATOM 98 O TYR A 8 -15.009 7.522 -3.071 1.00 10.00 O ATOM 99 CB TYR A 8 -14.291 8.801 -0.732 1.00 10.00 C ATOM 100 CG TYR A 8 -15.706 8.983 -0.207 1.00 10.00 C ATOM 101 CD1 TYR A 8 -16.809 8.469 -0.881 1.00 10.00 C ATOM 102 CD2 TYR A 8 -15.936 9.707 0.957 1.00 10.00 C ATOM 103 CE1 TYR A 8 -18.096 8.671 -0.410 1.00 10.00 C ATOM 104 CE2 TYR A 8 -17.214 9.907 1.434 1.00 10.00 C ATOM 105 CZ TYR A 8 -18.292 9.389 0.749 1.00 10.00 C ATOM 106 OH TYR A 8 -19.569 9.589 1.223 1.00 10.00 O ATOM 0 H TYR A 8 -11.983 7.989 -1.710 1.00 10.00 H new ATOM 0 HA TYR A 8 -14.202 6.738 -0.157 1.00 10.00 H new ATOM 0 HB2 TYR A 8 -13.601 9.257 -0.022 1.00 10.00 H new ATOM 0 HB3 TYR A 8 -14.199 9.355 -1.666 1.00 10.00 H new ATOM 0 HD1 TYR A 8 -16.659 7.902 -1.788 1.00 10.00 H new ATOM 0 HD2 TYR A 8 -15.098 10.121 1.498 1.00 10.00 H new ATOM 0 HE1 TYR A 8 -18.941 8.268 -0.948 1.00 10.00 H new ATOM 0 HE2 TYR A 8 -17.370 10.469 2.343 1.00 10.00 H new ATOM 0 HH TYR A 8 -19.533 10.114 2.050 1.00 10.00 H new ATOM 116 N GLY A 9 -14.203 5.507 -2.500 1.00 10.00 N ATOM 117 CA GLY A 9 -14.712 4.865 -3.698 1.00 10.00 C ATOM 118 C GLY A 9 -13.786 4.997 -4.898 1.00 10.00 C ATOM 119 O GLY A 9 -14.254 5.093 -6.032 1.00 10.00 O ATOM 0 H GLY A 9 -13.690 4.891 -1.869 1.00 10.00 H new ATOM 0 HA2 GLY A 9 -14.878 3.808 -3.492 1.00 10.00 H new ATOM 0 HA3 GLY A 9 -15.681 5.296 -3.948 1.00 10.00 H new ATOM 123 N CYS A 10 -12.476 4.975 -4.671 1.00 10.00 N ATOM 124 CA CYS A 10 -11.506 5.105 -5.748 1.00 10.00 C ATOM 125 C CYS A 10 -11.186 3.776 -6.407 1.00 10.00 C ATOM 126 O CYS A 10 -10.166 3.152 -6.103 1.00 10.00 O ATOM 127 CB CYS A 10 -10.220 5.761 -5.249 1.00 10.00 C ATOM 128 SG CYS A 10 -8.851 5.619 -6.406 1.00 10.00 S ATOM 0 H CYS A 10 -12.062 4.868 -3.745 1.00 10.00 H new ATOM 0 HA CYS A 10 -11.966 5.743 -6.502 1.00 10.00 H new ATOM 0 HB2 CYS A 10 -10.412 6.816 -5.052 1.00 10.00 H new ATOM 0 HB3 CYS A 10 -9.933 5.307 -4.301 1.00 10.00 H new ATOM 0 HG CYS A 10 -7.890 6.415 -6.041 1.00 10.00 H new ATOM 133 N LYS A 11 -12.090 3.296 -7.241 1.00 10.00 N ATOM 134 CA LYS A 11 -11.851 2.068 -7.975 1.00 10.00 C ATOM 135 C LYS A 11 -10.829 2.343 -9.079 1.00 10.00 C ATOM 136 O LYS A 11 -11.137 2.197 -10.256 1.00 10.00 O ATOM 137 CB LYS A 11 -13.152 1.536 -8.580 1.00 10.00 C ATOM 138 CG LYS A 11 -14.116 0.935 -7.560 1.00 10.00 C ATOM 139 CD LYS A 11 -13.637 -0.430 -7.081 1.00 10.00 C ATOM 140 CE LYS A 11 -14.593 -1.048 -6.067 1.00 10.00 C ATOM 141 NZ LYS A 11 -15.846 -1.539 -6.698 1.00 10.00 N ATOM 0 H LYS A 11 -12.992 3.735 -7.426 1.00 10.00 H new ATOM 0 HA LYS A 11 -11.464 1.311 -7.293 1.00 10.00 H new ATOM 0 HB2 LYS A 11 -13.655 2.349 -9.104 1.00 10.00 H new ATOM 0 HB3 LYS A 11 -12.910 0.778 -9.325 1.00 10.00 H new ATOM 0 HG2 LYS A 11 -14.213 1.608 -6.708 1.00 10.00 H new ATOM 0 HG3 LYS A 11 -15.106 0.839 -8.005 1.00 10.00 H new ATOM 0 HD2 LYS A 11 -13.534 -1.098 -7.936 1.00 10.00 H new ATOM 0 HD3 LYS A 11 -12.648 -0.330 -6.633 1.00 10.00 H new ATOM 0 HE2 LYS A 11 -14.096 -1.875 -5.560 1.00 10.00 H new ATOM 0 HE3 LYS A 11 -14.838 -0.308 -5.305 1.00 10.00 H new ATOM 0 HZ1 LYS A 11 -16.464 -1.950 -5.969 1.00 10.00 H new ATOM 0 HZ2 LYS A 11 -16.336 -0.746 -7.160 1.00 10.00 H new ATOM 0 HZ3 LYS A 11 -15.617 -2.264 -7.407 1.00 10.00 H new ATOM 155 N ASN A 12 -9.607 2.726 -8.718 1.00 10.00 N ATOM 156 CA ASN A 12 -8.576 3.027 -9.724 1.00 10.00 C ATOM 157 C ASN A 12 -7.772 1.789 -10.091 1.00 10.00 C ATOM 158 O ASN A 12 -6.578 1.896 -10.375 1.00 10.00 O ATOM 159 CB ASN A 12 -7.614 4.098 -9.231 1.00 10.00 C ATOM 160 CG ASN A 12 -7.850 5.457 -9.875 1.00 10.00 C ATOM 161 OD1 ASN A 12 -7.126 5.851 -10.787 1.00 10.00 O ATOM 162 ND2 ASN A 12 -8.863 6.180 -9.420 1.00 10.00 N ATOM 0 H ASN A 12 -9.303 2.836 -7.751 1.00 10.00 H new ATOM 0 HA ASN A 12 -9.105 3.389 -10.605 1.00 10.00 H new ATOM 0 HB2 ASN A 12 -7.710 4.194 -8.149 1.00 10.00 H new ATOM 0 HB3 ASN A 12 -6.591 3.780 -9.433 1.00 10.00 H new ATOM 0 HD21 ASN A 12 -9.061 7.093 -9.828 1.00 10.00 H new ATOM 0 HD22 ASN A 12 -9.444 5.823 -8.662 1.00 10.00 H new ATOM 169 N ARG A 13 -8.433 0.640 -10.006 1.00 10.00 N ATOM 170 CA ARG A 13 -7.862 -0.695 -10.316 1.00 10.00 C ATOM 171 C ARG A 13 -6.670 -0.605 -11.277 1.00 10.00 C ATOM 172 O ARG A 13 -6.751 0.101 -12.286 1.00 10.00 O ATOM 173 CB ARG A 13 -8.970 -1.539 -10.948 1.00 10.00 C ATOM 174 CG ARG A 13 -8.994 -3.016 -10.564 1.00 10.00 C ATOM 175 CD ARG A 13 -7.684 -3.720 -10.896 1.00 10.00 C ATOM 176 NE ARG A 13 -7.890 -5.128 -11.239 1.00 10.00 N ATOM 177 CZ ARG A 13 -7.476 -5.697 -12.372 1.00 10.00 C ATOM 178 NH1 ARG A 13 -6.843 -4.978 -13.296 1.00 10.00 N ATOM 179 NH2 ARG A 13 -7.706 -6.987 -12.581 1.00 10.00 N ATOM 0 H ARG A 13 -9.409 0.594 -9.713 1.00 10.00 H new ATOM 0 HA ARG A 13 -7.494 -1.145 -9.394 1.00 10.00 H new ATOM 0 HB2 ARG A 13 -9.931 -1.100 -10.680 1.00 10.00 H new ATOM 0 HB3 ARG A 13 -8.879 -1.468 -12.032 1.00 10.00 H new ATOM 0 HG2 ARG A 13 -9.193 -3.109 -9.496 1.00 10.00 H new ATOM 0 HG3 ARG A 13 -9.813 -3.512 -11.085 1.00 10.00 H new ATOM 0 HD2 ARG A 13 -7.200 -3.211 -11.729 1.00 10.00 H new ATOM 0 HD3 ARG A 13 -7.008 -3.650 -10.044 1.00 10.00 H new ATOM 0 HE ARG A 13 -8.384 -5.714 -10.566 1.00 10.00 H new ATOM 0 HH11 ARG A 13 -6.671 -3.985 -13.140 1.00 10.00 H new ATOM 0 HH12 ARG A 13 -6.529 -5.420 -14.160 1.00 10.00 H new ATOM 0 HH21 ARG A 13 -8.197 -7.538 -11.877 1.00 10.00 H new ATOM 0 HH22 ARG A 13 -7.392 -7.428 -13.446 1.00 10.00 H new ATOM 193 N TYR A 14 -5.583 -1.352 -10.987 1.00 10.00 N ATOM 194 CA TYR A 14 -4.369 -1.310 -11.810 1.00 10.00 C ATOM 195 C TYR A 14 -4.707 -1.358 -13.282 1.00 10.00 C ATOM 196 O TYR A 14 -5.205 -2.356 -13.809 1.00 10.00 O ATOM 197 CB TYR A 14 -3.386 -2.436 -11.472 1.00 10.00 C ATOM 198 CG TYR A 14 -1.978 -1.933 -11.178 1.00 10.00 C ATOM 199 CD1 TYR A 14 -1.278 -1.149 -12.099 1.00 10.00 C ATOM 200 CD2 TYR A 14 -1.355 -2.227 -9.972 1.00 10.00 C ATOM 201 CE1 TYR A 14 -0.006 -0.683 -11.817 1.00 10.00 C ATOM 202 CE2 TYR A 14 -0.081 -1.765 -9.688 1.00 10.00 C ATOM 203 CZ TYR A 14 0.587 -0.993 -10.613 1.00 10.00 C ATOM 204 OH TYR A 14 1.851 -0.513 -10.333 1.00 10.00 O ATOM 0 H TYR A 14 -5.528 -1.987 -10.191 1.00 10.00 H new ATOM 0 HA TYR A 14 -3.881 -0.363 -11.580 1.00 10.00 H new ATOM 0 HB2 TYR A 14 -3.757 -2.986 -10.607 1.00 10.00 H new ATOM 0 HB3 TYR A 14 -3.348 -3.139 -12.304 1.00 10.00 H new ATOM 0 HD1 TYR A 14 -1.737 -0.903 -13.045 1.00 10.00 H new ATOM 0 HD2 TYR A 14 -1.875 -2.828 -9.241 1.00 10.00 H new ATOM 0 HE1 TYR A 14 0.521 -0.077 -12.540 1.00 10.00 H new ATOM 0 HE2 TYR A 14 0.387 -2.009 -8.746 1.00 10.00 H new ATOM 0 HH TYR A 14 2.128 -0.819 -9.444 1.00 10.00 H new ATOM 214 N ASP A 15 -4.441 -0.231 -13.909 1.00 10.00 N ATOM 215 CA ASP A 15 -4.646 -0.015 -15.316 1.00 10.00 C ATOM 216 C ASP A 15 -3.454 0.803 -15.778 1.00 10.00 C ATOM 217 O ASP A 15 -3.299 1.957 -15.400 1.00 10.00 O ATOM 218 CB ASP A 15 -5.979 0.704 -15.524 1.00 10.00 C ATOM 219 CG ASP A 15 -6.055 1.473 -16.821 1.00 10.00 C ATOM 220 OD1 ASP A 15 -5.886 0.860 -17.890 1.00 10.00 O ATOM 221 OD2 ASP A 15 -6.308 2.693 -16.763 1.00 10.00 O ATOM 0 H ASP A 15 -4.062 0.586 -13.430 1.00 10.00 H new ATOM 0 HA ASP A 15 -4.706 -0.937 -15.894 1.00 10.00 H new ATOM 0 HB2 ASP A 15 -6.785 -0.029 -15.498 1.00 10.00 H new ATOM 0 HB3 ASP A 15 -6.145 1.391 -14.694 1.00 10.00 H new ATOM 226 N LYS A 16 -2.619 0.168 -16.576 1.00 10.00 N ATOM 227 CA LYS A 16 -1.391 0.778 -17.099 1.00 10.00 C ATOM 228 C LYS A 16 -1.684 2.017 -17.956 1.00 10.00 C ATOM 229 O LYS A 16 -0.820 2.869 -18.172 1.00 10.00 O ATOM 230 CB LYS A 16 -0.652 -0.272 -17.915 1.00 10.00 C ATOM 231 CG LYS A 16 -0.924 -0.182 -19.413 1.00 10.00 C ATOM 232 CD LYS A 16 -1.507 -1.474 -19.960 1.00 10.00 C ATOM 233 CE LYS A 16 -1.684 -1.421 -21.473 1.00 10.00 C ATOM 234 NZ LYS A 16 -2.211 -0.112 -21.956 1.00 10.00 N ATOM 0 H LYS A 16 -2.765 -0.792 -16.888 1.00 10.00 H new ATOM 0 HA LYS A 16 -0.778 1.116 -16.264 1.00 10.00 H new ATOM 0 HB2 LYS A 16 0.419 -0.168 -17.742 1.00 10.00 H new ATOM 0 HB3 LYS A 16 -0.937 -1.263 -17.561 1.00 10.00 H new ATOM 0 HG2 LYS A 16 -1.614 0.639 -19.608 1.00 10.00 H new ATOM 0 HG3 LYS A 16 0.003 0.049 -19.937 1.00 10.00 H new ATOM 0 HD2 LYS A 16 -0.853 -2.306 -19.700 1.00 10.00 H new ATOM 0 HD3 LYS A 16 -2.471 -1.666 -19.488 1.00 10.00 H new ATOM 0 HE2 LYS A 16 -0.725 -1.619 -21.952 1.00 10.00 H new ATOM 0 HE3 LYS A 16 -2.364 -2.215 -21.781 1.00 10.00 H new ATOM 0 HZ1 LYS A 16 -2.516 -0.205 -22.946 1.00 10.00 H new ATOM 0 HZ2 LYS A 16 -3.021 0.174 -21.369 1.00 10.00 H new ATOM 0 HZ3 LYS A 16 -1.464 0.609 -21.890 1.00 10.00 H new ATOM 248 N ASP A 17 -2.911 2.074 -18.439 1.00 10.00 N ATOM 249 CA ASP A 17 -3.385 3.193 -19.249 1.00 10.00 C ATOM 250 C ASP A 17 -3.483 4.444 -18.388 1.00 10.00 C ATOM 251 O ASP A 17 -3.461 5.573 -18.886 1.00 10.00 O ATOM 252 CB ASP A 17 -4.736 2.868 -19.865 1.00 10.00 C ATOM 253 CG ASP A 17 -4.594 2.158 -21.196 1.00 10.00 C ATOM 254 OD1 ASP A 17 -4.438 2.848 -22.224 1.00 10.00 O ATOM 255 OD2 ASP A 17 -4.614 0.905 -21.221 1.00 10.00 O ATOM 0 H ASP A 17 -3.611 1.349 -18.284 1.00 10.00 H new ATOM 0 HA ASP A 17 -2.675 3.371 -20.057 1.00 10.00 H new ATOM 0 HB2 ASP A 17 -5.307 2.242 -19.179 1.00 10.00 H new ATOM 0 HB3 ASP A 17 -5.303 3.789 -20.003 1.00 10.00 H new ATOM 260 N LYS A 18 -3.587 4.224 -17.096 1.00 10.00 N ATOM 261 CA LYS A 18 -3.644 5.302 -16.126 1.00 10.00 C ATOM 262 C LYS A 18 -2.289 5.367 -15.413 1.00 10.00 C ATOM 263 O LYS A 18 -1.698 4.331 -15.103 1.00 10.00 O ATOM 264 CB LYS A 18 -4.813 5.090 -15.159 1.00 10.00 C ATOM 265 CG LYS A 18 -4.441 4.515 -13.803 1.00 10.00 C ATOM 266 CD LYS A 18 -5.629 3.842 -13.119 1.00 10.00 C ATOM 267 CE LYS A 18 -6.968 4.459 -13.517 1.00 10.00 C ATOM 268 NZ LYS A 18 -7.632 3.701 -14.613 1.00 10.00 N ATOM 0 H LYS A 18 -3.635 3.292 -16.685 1.00 10.00 H new ATOM 0 HA LYS A 18 -3.827 6.259 -16.615 1.00 10.00 H new ATOM 0 HB2 LYS A 18 -5.313 6.046 -15.004 1.00 10.00 H new ATOM 0 HB3 LYS A 18 -5.536 4.425 -15.631 1.00 10.00 H new ATOM 0 HG2 LYS A 18 -3.636 3.791 -13.925 1.00 10.00 H new ATOM 0 HG3 LYS A 18 -4.059 5.311 -13.164 1.00 10.00 H new ATOM 0 HD2 LYS A 18 -5.634 2.781 -13.370 1.00 10.00 H new ATOM 0 HD3 LYS A 18 -5.508 3.913 -12.038 1.00 10.00 H new ATOM 0 HE2 LYS A 18 -7.625 4.489 -12.648 1.00 10.00 H new ATOM 0 HE3 LYS A 18 -6.811 5.490 -13.834 1.00 10.00 H new ATOM 0 HZ1 LYS A 18 -8.209 4.351 -15.185 1.00 10.00 H new ATOM 0 HZ2 LYS A 18 -6.910 3.258 -15.216 1.00 10.00 H new ATOM 0 HZ3 LYS A 18 -8.242 2.964 -14.205 1.00 10.00 H new ATOM 282 N PRO A 19 -1.753 6.569 -15.163 1.00 10.00 N ATOM 283 CA PRO A 19 -0.434 6.706 -14.550 1.00 10.00 C ATOM 284 C PRO A 19 -0.395 6.647 -13.026 1.00 10.00 C ATOM 285 O PRO A 19 -0.243 7.681 -12.363 1.00 10.00 O ATOM 286 CB PRO A 19 0.001 8.084 -15.033 1.00 10.00 C ATOM 287 CG PRO A 19 -1.261 8.865 -15.202 1.00 10.00 C ATOM 288 CD PRO A 19 -2.367 7.873 -15.465 1.00 10.00 C ATOM 0 HA PRO A 19 0.206 5.871 -14.834 1.00 10.00 H new ATOM 0 HB2 PRO A 19 0.664 8.561 -14.312 1.00 10.00 H new ATOM 0 HB3 PRO A 19 0.549 8.015 -15.973 1.00 10.00 H new ATOM 0 HG2 PRO A 19 -1.474 9.451 -14.308 1.00 10.00 H new ATOM 0 HG3 PRO A 19 -1.170 9.569 -16.030 1.00 10.00 H new ATOM 0 HD2 PRO A 19 -3.233 8.063 -14.831 1.00 10.00 H new ATOM 0 HD3 PRO A 19 -2.711 7.923 -16.498 1.00 10.00 H new ATOM 296 N VAL A 20 -0.515 5.454 -12.459 1.00 10.00 N ATOM 297 CA VAL A 20 -0.448 5.312 -11.012 1.00 10.00 C ATOM 298 C VAL A 20 0.246 4.007 -10.599 1.00 10.00 C ATOM 299 O VAL A 20 0.131 2.977 -11.264 1.00 10.00 O ATOM 300 CB VAL A 20 -1.841 5.383 -10.292 1.00 10.00 C ATOM 301 CG1 VAL A 20 -2.716 6.533 -10.785 1.00 10.00 C ATOM 302 CG2 VAL A 20 -2.597 4.072 -10.388 1.00 10.00 C ATOM 0 H VAL A 20 -0.657 4.583 -12.970 1.00 10.00 H new ATOM 0 HA VAL A 20 0.137 6.173 -10.688 1.00 10.00 H new ATOM 0 HB VAL A 20 -1.613 5.577 -9.244 1.00 10.00 H new ATOM 0 HG11 VAL A 20 -3.664 6.525 -10.247 1.00 10.00 H new ATOM 0 HG12 VAL A 20 -2.206 7.480 -10.608 1.00 10.00 H new ATOM 0 HG13 VAL A 20 -2.903 6.416 -11.852 1.00 10.00 H new ATOM 0 HG21 VAL A 20 -3.555 4.166 -9.877 1.00 10.00 H new ATOM 0 HG22 VAL A 20 -2.768 3.826 -11.436 1.00 10.00 H new ATOM 0 HG23 VAL A 20 -2.012 3.280 -9.920 1.00 10.00 H new ATOM 312 N SER A 21 1.011 4.104 -9.514 1.00 10.00 N ATOM 313 CA SER A 21 1.713 2.969 -8.918 1.00 10.00 C ATOM 314 C SER A 21 0.934 2.530 -7.691 1.00 10.00 C ATOM 315 O SER A 21 0.056 3.272 -7.237 1.00 10.00 O ATOM 316 CB SER A 21 3.132 3.381 -8.521 1.00 10.00 C ATOM 317 OG SER A 21 3.333 4.767 -8.748 1.00 10.00 O ATOM 0 H SER A 21 1.163 4.982 -9.018 1.00 10.00 H new ATOM 0 HA SER A 21 1.784 2.149 -9.633 1.00 10.00 H new ATOM 0 HB2 SER A 21 3.302 3.151 -7.469 1.00 10.00 H new ATOM 0 HB3 SER A 21 3.858 2.804 -9.095 1.00 10.00 H new ATOM 0 HG SER A 21 4.245 5.012 -8.487 1.00 10.00 H new ATOM 323 N PHE A 22 1.248 1.379 -7.113 1.00 10.00 N ATOM 324 CA PHE A 22 0.460 0.938 -5.978 1.00 10.00 C ATOM 325 C PHE A 22 1.191 0.760 -4.638 1.00 10.00 C ATOM 326 O PHE A 22 1.868 -0.244 -4.424 1.00 10.00 O ATOM 327 CB PHE A 22 -0.338 -0.319 -6.332 1.00 10.00 C ATOM 328 CG PHE A 22 -1.814 -0.057 -6.489 1.00 10.00 C ATOM 329 CD1 PHE A 22 -2.567 0.386 -5.414 1.00 10.00 C ATOM 330 CD2 PHE A 22 -2.446 -0.248 -7.708 1.00 10.00 C ATOM 331 CE1 PHE A 22 -3.922 0.634 -5.555 1.00 10.00 C ATOM 332 CE2 PHE A 22 -3.798 -0.004 -7.856 1.00 10.00 C ATOM 333 CZ PHE A 22 -4.538 0.439 -6.776 1.00 10.00 C ATOM 0 H PHE A 22 2.008 0.760 -7.396 1.00 10.00 H new ATOM 0 HA PHE A 22 -0.203 1.782 -5.789 1.00 10.00 H new ATOM 0 HB2 PHE A 22 0.051 -0.740 -7.259 1.00 10.00 H new ATOM 0 HB3 PHE A 22 -0.189 -1.068 -5.554 1.00 10.00 H new ATOM 0 HD1 PHE A 22 -2.092 0.540 -4.456 1.00 10.00 H new ATOM 0 HD2 PHE A 22 -1.872 -0.593 -8.556 1.00 10.00 H new ATOM 0 HE1 PHE A 22 -4.498 0.980 -4.709 1.00 10.00 H new ATOM 0 HE2 PHE A 22 -4.275 -0.159 -8.813 1.00 10.00 H new ATOM 0 HZ PHE A 22 -5.595 0.632 -6.886 1.00 10.00 H new ATOM 343 N HIS A 23 1.046 1.695 -3.727 1.00 10.00 N ATOM 344 CA HIS A 23 1.867 1.692 -2.507 1.00 10.00 C ATOM 345 C HIS A 23 1.147 1.278 -1.269 1.00 10.00 C ATOM 346 O HIS A 23 -0.041 1.368 -1.177 1.00 10.00 O ATOM 347 CB HIS A 23 2.370 3.095 -2.213 1.00 10.00 C ATOM 348 CG HIS A 23 2.039 4.082 -3.258 1.00 10.00 C ATOM 349 ND1 HIS A 23 2.777 4.686 -4.212 1.00 10.00 N flip ATOM 350 CD2 HIS A 23 0.756 4.500 -3.436 1.00 10.00 C flip ATOM 351 CE1 HIS A 23 1.906 5.449 -4.951 1.00 10.00 C flip ATOM 352 NE2 HIS A 23 0.693 5.302 -4.448 1.00 10.00 N flip ATOM 0 H HIS A 23 0.380 2.464 -3.792 1.00 10.00 H new ATOM 0 HA HIS A 23 2.656 0.972 -2.723 1.00 10.00 H new ATOM 0 HB2 HIS A 23 1.949 3.430 -1.265 1.00 10.00 H new ATOM 0 HB3 HIS A 23 3.452 3.063 -2.087 1.00 10.00 H new ATOM 0 HD1 HIS A 23 3.783 4.594 -4.356 1.00 10.00 H new ATOM 0 HD2 HIS A 23 -0.084 4.206 -2.824 1.00 10.00 H new ATOM 0 HE1 HIS A 23 2.168 6.064 -5.799 1.00 10.00 H new ATOM 361 N LYS A 24 1.914 0.873 -0.295 1.00 10.00 N ATOM 362 CA LYS A 24 1.324 0.481 0.952 1.00 10.00 C ATOM 363 C LYS A 24 1.315 1.633 1.950 1.00 10.00 C ATOM 364 O LYS A 24 2.003 2.632 1.730 1.00 10.00 O ATOM 365 CB LYS A 24 2.070 -0.717 1.530 1.00 10.00 C ATOM 366 CG LYS A 24 1.481 -2.051 1.100 1.00 10.00 C ATOM 367 CD LYS A 24 2.463 -3.188 1.300 1.00 10.00 C ATOM 368 CE LYS A 24 2.901 -3.301 2.748 1.00 10.00 C ATOM 369 NZ LYS A 24 4.008 -4.276 2.902 1.00 10.00 N ATOM 0 H LYS A 24 2.931 0.807 -0.339 1.00 10.00 H new ATOM 0 HA LYS A 24 0.288 0.199 0.762 1.00 10.00 H new ATOM 0 HB2 LYS A 24 3.114 -0.671 1.220 1.00 10.00 H new ATOM 0 HB3 LYS A 24 2.057 -0.655 2.618 1.00 10.00 H new ATOM 0 HG2 LYS A 24 0.574 -2.249 1.671 1.00 10.00 H new ATOM 0 HG3 LYS A 24 1.192 -2.000 0.050 1.00 10.00 H new ATOM 0 HD2 LYS A 24 2.004 -4.125 0.984 1.00 10.00 H new ATOM 0 HD3 LYS A 24 3.336 -3.031 0.667 1.00 10.00 H new ATOM 0 HE2 LYS A 24 3.221 -2.324 3.111 1.00 10.00 H new ATOM 0 HE3 LYS A 24 2.055 -3.608 3.363 1.00 10.00 H new ATOM 0 HZ1 LYS A 24 4.285 -4.331 3.903 1.00 10.00 H new ATOM 0 HZ2 LYS A 24 3.693 -5.213 2.578 1.00 10.00 H new ATOM 0 HZ3 LYS A 24 4.823 -3.969 2.333 1.00 10.00 H new ATOM 383 N PHE A 25 0.539 1.529 3.010 1.00 10.00 N ATOM 384 CA PHE A 25 0.480 2.599 4.001 1.00 10.00 C ATOM 385 C PHE A 25 1.867 2.885 4.579 1.00 10.00 C ATOM 386 O PHE A 25 2.743 2.013 4.573 1.00 10.00 O ATOM 387 CB PHE A 25 -0.444 2.205 5.145 1.00 10.00 C ATOM 388 CG PHE A 25 -1.774 2.916 5.178 1.00 10.00 C ATOM 389 CD1 PHE A 25 -2.716 2.704 4.196 1.00 10.00 C ATOM 390 CD2 PHE A 25 -2.090 3.764 6.226 1.00 10.00 C ATOM 391 CE1 PHE A 25 -3.951 3.332 4.249 1.00 10.00 C ATOM 392 CE2 PHE A 25 -3.316 4.386 6.292 1.00 10.00 C ATOM 393 CZ PHE A 25 -4.250 4.171 5.300 1.00 10.00 C ATOM 0 H PHE A 25 -0.056 0.726 3.212 1.00 10.00 H new ATOM 0 HA PHE A 25 0.103 3.491 3.502 1.00 10.00 H new ATOM 0 HB2 PHE A 25 -0.626 1.132 5.089 1.00 10.00 H new ATOM 0 HB3 PHE A 25 0.072 2.392 6.087 1.00 10.00 H new ATOM 0 HD1 PHE A 25 -2.490 2.040 3.374 1.00 10.00 H new ATOM 0 HD2 PHE A 25 -1.362 3.940 7.004 1.00 10.00 H new ATOM 0 HE1 PHE A 25 -4.677 3.164 3.468 1.00 10.00 H new ATOM 0 HE2 PHE A 25 -3.546 5.041 7.119 1.00 10.00 H new ATOM 0 HZ PHE A 25 -5.212 4.659 5.347 1.00 10.00 H new ATOM 403 N PRO A 26 2.077 4.101 5.106 1.00 10.00 N ATOM 404 CA PRO A 26 3.349 4.491 5.723 1.00 10.00 C ATOM 405 C PRO A 26 3.410 3.896 7.122 1.00 10.00 C ATOM 406 O PRO A 26 3.380 4.581 8.138 1.00 10.00 O ATOM 407 CB PRO A 26 3.190 6.007 5.829 1.00 10.00 C ATOM 408 CG PRO A 26 1.742 6.169 6.114 1.00 10.00 C ATOM 409 CD PRO A 26 1.081 5.193 5.188 1.00 10.00 C ATOM 0 HA PRO A 26 4.238 4.171 5.180 1.00 10.00 H new ATOM 0 HB2 PRO A 26 3.808 6.423 6.625 1.00 10.00 H new ATOM 0 HB3 PRO A 26 3.479 6.509 4.906 1.00 10.00 H new ATOM 0 HG2 PRO A 26 1.513 5.949 7.157 1.00 10.00 H new ATOM 0 HG3 PRO A 26 1.409 7.189 5.923 1.00 10.00 H new ATOM 0 HD2 PRO A 26 0.127 4.843 5.582 1.00 10.00 H new ATOM 0 HD3 PRO A 26 0.880 5.633 4.211 1.00 10.00 H new ATOM 417 N LEU A 27 3.498 2.570 7.107 1.00 10.00 N ATOM 418 CA LEU A 27 3.516 1.726 8.287 1.00 10.00 C ATOM 419 C LEU A 27 4.489 2.129 9.366 1.00 10.00 C ATOM 420 O LEU A 27 4.243 2.064 10.569 1.00 10.00 O ATOM 421 CB LEU A 27 3.742 0.280 7.872 1.00 10.00 C ATOM 422 CG LEU A 27 2.475 -0.418 7.396 1.00 10.00 C ATOM 423 CD1 LEU A 27 2.760 -1.866 7.038 1.00 10.00 C ATOM 424 CD2 LEU A 27 1.412 -0.318 8.476 1.00 10.00 C ATOM 0 H LEU A 27 3.561 2.038 6.239 1.00 10.00 H new ATOM 0 HA LEU A 27 2.538 1.853 8.751 1.00 10.00 H new ATOM 0 HB2 LEU A 27 4.485 0.250 7.075 1.00 10.00 H new ATOM 0 HB3 LEU A 27 4.157 -0.272 8.716 1.00 10.00 H new ATOM 0 HG LEU A 27 2.109 0.073 6.494 1.00 10.00 H new ATOM 0 HD11 LEU A 27 1.841 -2.345 6.701 1.00 10.00 H new ATOM 0 HD12 LEU A 27 3.503 -1.904 6.241 1.00 10.00 H new ATOM 0 HD13 LEU A 27 3.141 -2.389 7.915 1.00 10.00 H new ATOM 0 HD21 LEU A 27 0.503 -0.817 8.139 1.00 10.00 H new ATOM 0 HD22 LEU A 27 1.772 -0.797 9.387 1.00 10.00 H new ATOM 0 HD23 LEU A 27 1.197 0.731 8.678 1.00 10.00 H new ATOM 436 N THR A 28 5.615 2.554 8.820 1.00 10.00 N ATOM 437 CA THR A 28 6.795 2.951 9.551 1.00 10.00 C ATOM 438 C THR A 28 6.776 4.433 9.939 1.00 10.00 C ATOM 439 O THR A 28 7.690 4.958 10.573 1.00 10.00 O ATOM 440 CB THR A 28 8.018 2.695 8.650 1.00 10.00 C ATOM 441 OG1 THR A 28 8.123 3.731 7.666 1.00 10.00 O ATOM 442 CG2 THR A 28 7.887 1.359 7.934 1.00 10.00 C ATOM 0 H THR A 28 5.732 2.633 7.810 1.00 10.00 H new ATOM 0 HA THR A 28 6.834 2.372 10.474 1.00 10.00 H new ATOM 0 HB THR A 28 8.907 2.683 9.281 1.00 10.00 H new ATOM 0 HG1 THR A 28 8.903 3.564 7.097 1.00 10.00 H new ATOM 0 HG21 THR A 28 8.761 1.197 7.303 1.00 10.00 H new ATOM 0 HG22 THR A 28 7.817 0.557 8.669 1.00 10.00 H new ATOM 0 HG23 THR A 28 6.989 1.364 7.316 1.00 10.00 H new ATOM 450 N ARG A 29 5.685 5.079 9.551 1.00 10.00 N ATOM 451 CA ARG A 29 5.399 6.448 9.890 1.00 10.00 C ATOM 452 C ARG A 29 4.005 6.444 10.491 1.00 10.00 C ATOM 453 O ARG A 29 3.136 7.162 10.027 1.00 10.00 O ATOM 454 CB ARG A 29 5.425 7.300 8.615 1.00 10.00 C ATOM 455 CG ARG A 29 6.547 8.317 8.545 1.00 10.00 C ATOM 456 CD ARG A 29 6.223 9.539 9.373 1.00 10.00 C ATOM 457 NE ARG A 29 7.156 9.713 10.480 1.00 10.00 N ATOM 458 CZ ARG A 29 8.443 10.048 10.341 1.00 10.00 C ATOM 459 NH1 ARG A 29 8.955 10.278 9.138 1.00 10.00 N ATOM 460 NH2 ARG A 29 9.220 10.157 11.409 1.00 10.00 N ATOM 0 H ARG A 29 4.962 4.646 8.977 1.00 10.00 H new ATOM 0 HA ARG A 29 6.128 6.862 10.587 1.00 10.00 H new ATOM 0 HB2 ARG A 29 5.503 6.636 7.754 1.00 10.00 H new ATOM 0 HB3 ARG A 29 4.474 7.825 8.528 1.00 10.00 H new ATOM 0 HG2 ARG A 29 7.473 7.867 8.902 1.00 10.00 H new ATOM 0 HG3 ARG A 29 6.713 8.609 7.508 1.00 10.00 H new ATOM 0 HD2 ARG A 29 6.246 10.424 8.737 1.00 10.00 H new ATOM 0 HD3 ARG A 29 5.209 9.454 9.764 1.00 10.00 H new ATOM 0 HE ARG A 29 6.802 9.569 11.426 1.00 10.00 H new ATOM 0 HH11 ARG A 29 8.365 10.200 8.309 1.00 10.00 H new ATOM 0 HH12 ARG A 29 9.938 10.533 9.042 1.00 10.00 H new ATOM 0 HH21 ARG A 29 8.836 9.985 12.338 1.00 10.00 H new ATOM 0 HH22 ARG A 29 10.202 10.413 11.302 1.00 10.00 H new ATOM 474 N PRO A 30 3.799 5.645 11.554 1.00 10.00 N ATOM 475 CA PRO A 30 2.493 5.438 12.179 1.00 10.00 C ATOM 476 C PRO A 30 1.704 6.709 12.481 1.00 10.00 C ATOM 477 O PRO A 30 0.555 6.818 12.089 1.00 10.00 O ATOM 478 CB PRO A 30 2.811 4.715 13.482 1.00 10.00 C ATOM 479 CG PRO A 30 4.291 4.793 13.646 1.00 10.00 C ATOM 480 CD PRO A 30 4.843 4.906 12.274 1.00 10.00 C ATOM 0 HA PRO A 30 1.850 4.889 11.491 1.00 10.00 H new ATOM 0 HB2 PRO A 30 2.300 5.184 14.323 1.00 10.00 H new ATOM 0 HB3 PRO A 30 2.477 3.678 13.444 1.00 10.00 H new ATOM 0 HG2 PRO A 30 4.573 5.653 14.253 1.00 10.00 H new ATOM 0 HG3 PRO A 30 4.676 3.907 14.151 1.00 10.00 H new ATOM 0 HD2 PRO A 30 5.793 5.439 12.265 1.00 10.00 H new ATOM 0 HD3 PRO A 30 5.023 3.927 11.830 1.00 10.00 H new ATOM 488 N SER A 31 2.303 7.655 13.193 1.00 10.00 N ATOM 489 CA SER A 31 1.622 8.902 13.525 1.00 10.00 C ATOM 490 C SER A 31 1.080 9.532 12.253 1.00 10.00 C ATOM 491 O SER A 31 -0.091 9.887 12.162 1.00 10.00 O ATOM 492 CB SER A 31 2.606 9.845 14.216 1.00 10.00 C ATOM 493 OG SER A 31 3.797 9.158 14.574 1.00 10.00 O ATOM 0 H SER A 31 3.255 7.584 13.551 1.00 10.00 H new ATOM 0 HA SER A 31 0.790 8.706 14.201 1.00 10.00 H new ATOM 0 HB2 SER A 31 2.846 10.677 13.553 1.00 10.00 H new ATOM 0 HB3 SER A 31 2.144 10.270 15.107 1.00 10.00 H new ATOM 0 HG SER A 31 4.414 9.780 15.013 1.00 10.00 H new ATOM 499 N LEU A 32 1.934 9.552 11.248 1.00 10.00 N ATOM 500 CA LEU A 32 1.586 10.105 9.958 1.00 10.00 C ATOM 501 C LEU A 32 0.587 9.185 9.280 1.00 10.00 C ATOM 502 O LEU A 32 -0.340 9.632 8.610 1.00 10.00 O ATOM 503 CB LEU A 32 2.892 10.260 9.142 1.00 10.00 C ATOM 504 CG LEU A 32 2.799 10.955 7.790 1.00 10.00 C ATOM 505 CD1 LEU A 32 2.512 9.955 6.691 1.00 10.00 C ATOM 506 CD2 LEU A 32 1.749 12.041 7.830 1.00 10.00 C ATOM 0 H LEU A 32 2.885 9.186 11.304 1.00 10.00 H new ATOM 0 HA LEU A 32 1.116 11.084 10.048 1.00 10.00 H new ATOM 0 HB2 LEU A 32 3.608 10.809 9.754 1.00 10.00 H new ATOM 0 HB3 LEU A 32 3.308 9.265 8.981 1.00 10.00 H new ATOM 0 HG LEU A 32 3.760 11.420 7.571 1.00 10.00 H new ATOM 0 HD11 LEU A 32 2.450 10.474 5.734 1.00 10.00 H new ATOM 0 HD12 LEU A 32 3.313 9.217 6.652 1.00 10.00 H new ATOM 0 HD13 LEU A 32 1.566 9.453 6.894 1.00 10.00 H new ATOM 0 HD21 LEU A 32 1.693 12.529 6.857 1.00 10.00 H new ATOM 0 HD22 LEU A 32 0.781 11.602 8.072 1.00 10.00 H new ATOM 0 HD23 LEU A 32 2.014 12.776 8.590 1.00 10.00 H new ATOM 518 N CYS A 33 0.711 7.890 9.558 1.00 10.00 N ATOM 519 CA CYS A 33 -0.169 6.884 9.001 1.00 10.00 C ATOM 520 C CYS A 33 -1.550 7.161 9.522 1.00 10.00 C ATOM 521 O CYS A 33 -2.542 7.020 8.811 1.00 10.00 O ATOM 522 CB CYS A 33 0.267 5.513 9.509 1.00 10.00 C ATOM 523 SG CYS A 33 -0.786 4.133 8.998 1.00 10.00 S ATOM 0 H CYS A 33 1.429 7.515 10.178 1.00 10.00 H new ATOM 0 HA CYS A 33 -0.142 6.904 7.912 1.00 10.00 H new ATOM 0 HB2 CYS A 33 1.283 5.321 9.164 1.00 10.00 H new ATOM 0 HB3 CYS A 33 0.300 5.540 10.598 1.00 10.00 H new ATOM 0 HG CYS A 33 -0.917 4.143 7.705 1.00 10.00 H new ATOM 529 N LYS A 34 -1.600 7.589 10.761 1.00 10.00 N ATOM 530 CA LYS A 34 -2.820 7.833 11.448 1.00 10.00 C ATOM 531 C LYS A 34 -3.612 8.983 10.878 1.00 10.00 C ATOM 532 O LYS A 34 -4.838 8.975 10.966 1.00 10.00 O ATOM 533 CB LYS A 34 -2.443 8.048 12.903 1.00 10.00 C ATOM 534 CG LYS A 34 -3.408 8.885 13.718 1.00 10.00 C ATOM 535 CD LYS A 34 -2.644 9.912 14.536 1.00 10.00 C ATOM 536 CE LYS A 34 -3.366 10.246 15.834 1.00 10.00 C ATOM 537 NZ LYS A 34 -3.245 9.159 16.844 1.00 10.00 N ATOM 0 H LYS A 34 -0.769 7.778 11.321 1.00 10.00 H new ATOM 0 HA LYS A 34 -3.494 6.984 11.336 1.00 10.00 H new ATOM 0 HB2 LYS A 34 -2.344 7.073 13.381 1.00 10.00 H new ATOM 0 HB3 LYS A 34 -1.462 8.521 12.938 1.00 10.00 H new ATOM 0 HG2 LYS A 34 -4.114 9.387 13.057 1.00 10.00 H new ATOM 0 HG3 LYS A 34 -3.991 8.243 14.378 1.00 10.00 H new ATOM 0 HD2 LYS A 34 -1.648 9.531 14.761 1.00 10.00 H new ATOM 0 HD3 LYS A 34 -2.512 10.821 13.948 1.00 10.00 H new ATOM 0 HE2 LYS A 34 -2.959 11.169 16.246 1.00 10.00 H new ATOM 0 HE3 LYS A 34 -4.420 10.428 15.624 1.00 10.00 H new ATOM 0 HZ1 LYS A 34 -3.633 9.484 17.752 1.00 10.00 H new ATOM 0 HZ2 LYS A 34 -3.774 8.324 16.521 1.00 10.00 H new ATOM 0 HZ3 LYS A 34 -2.243 8.908 16.966 1.00 10.00 H new ATOM 551 N GLU A 35 -2.978 9.965 10.249 1.00 10.00 N ATOM 552 CA GLU A 35 -3.813 11.031 9.727 1.00 10.00 C ATOM 553 C GLU A 35 -4.517 10.536 8.502 1.00 10.00 C ATOM 554 O GLU A 35 -5.580 11.043 8.149 1.00 10.00 O ATOM 555 CB GLU A 35 -3.098 12.319 9.410 1.00 10.00 C ATOM 556 CG GLU A 35 -1.609 12.165 9.199 1.00 10.00 C ATOM 557 CD GLU A 35 -0.843 13.448 9.454 1.00 10.00 C ATOM 558 OE1 GLU A 35 -0.956 14.392 8.649 1.00 10.00 O ATOM 559 OE2 GLU A 35 -0.131 13.520 10.474 1.00 10.00 O ATOM 0 H GLU A 35 -1.973 10.045 10.097 1.00 10.00 H new ATOM 0 HA GLU A 35 -4.507 11.283 10.528 1.00 10.00 H new ATOM 0 HB2 GLU A 35 -3.538 12.754 8.513 1.00 10.00 H new ATOM 0 HB3 GLU A 35 -3.267 13.025 10.223 1.00 10.00 H new ATOM 0 HG2 GLU A 35 -1.232 11.385 9.860 1.00 10.00 H new ATOM 0 HG3 GLU A 35 -1.424 11.834 8.177 1.00 10.00 H new ATOM 566 N TRP A 36 -3.950 9.502 7.879 1.00 10.00 N ATOM 567 CA TRP A 36 -4.574 8.936 6.714 1.00 10.00 C ATOM 568 C TRP A 36 -5.951 8.488 7.151 1.00 10.00 C ATOM 569 O TRP A 36 -6.893 8.588 6.371 1.00 10.00 O ATOM 570 CB TRP A 36 -3.778 7.758 6.133 1.00 10.00 C ATOM 571 CG TRP A 36 -2.436 8.143 5.575 1.00 10.00 C ATOM 572 CD1 TRP A 36 -1.593 9.103 6.060 1.00 10.00 C ATOM 573 CD2 TRP A 36 -1.783 7.581 4.425 1.00 10.00 C ATOM 574 NE1 TRP A 36 -0.471 9.189 5.275 1.00 10.00 N ATOM 575 CE2 TRP A 36 -0.557 8.261 4.275 1.00 10.00 C ATOM 576 CE3 TRP A 36 -2.108 6.571 3.502 1.00 10.00 C ATOM 577 CZ2 TRP A 36 0.336 7.971 3.249 1.00 10.00 C ATOM 578 CZ3 TRP A 36 -1.217 6.289 2.482 1.00 10.00 C ATOM 579 CH2 TRP A 36 -0.008 6.989 2.363 1.00 10.00 C ATOM 0 H TRP A 36 -3.078 9.057 8.165 1.00 10.00 H new ATOM 0 HA TRP A 36 -4.620 9.677 5.916 1.00 10.00 H new ATOM 0 HB2 TRP A 36 -3.635 7.010 6.913 1.00 10.00 H new ATOM 0 HB3 TRP A 36 -4.367 7.288 5.345 1.00 10.00 H new ATOM 0 HD1 TRP A 36 -1.783 9.707 6.935 1.00 10.00 H new ATOM 0 HE1 TRP A 36 0.302 9.840 5.415 1.00 10.00 H new ATOM 0 HE3 TRP A 36 -3.036 6.026 3.588 1.00 10.00 H new ATOM 0 HZ2 TRP A 36 1.271 8.504 3.156 1.00 10.00 H new ATOM 0 HZ3 TRP A 36 -1.457 5.517 1.766 1.00 10.00 H new ATOM 0 HH2 TRP A 36 0.666 6.747 1.554 1.00 10.00 H new ATOM 590 N GLU A 37 -6.082 8.111 8.430 1.00 10.00 N ATOM 591 CA GLU A 37 -7.354 7.638 8.932 1.00 10.00 C ATOM 592 C GLU A 37 -8.420 8.685 8.666 1.00 10.00 C ATOM 593 O GLU A 37 -9.505 8.433 8.144 1.00 10.00 O ATOM 594 CB GLU A 37 -7.302 7.238 10.417 1.00 10.00 C ATOM 595 CG GLU A 37 -6.177 6.271 10.763 1.00 10.00 C ATOM 596 CD GLU A 37 -6.391 4.860 10.262 1.00 10.00 C ATOM 597 OE1 GLU A 37 -7.399 4.235 10.650 1.00 10.00 O ATOM 598 OE2 GLU A 37 -5.528 4.352 9.515 1.00 10.00 O ATOM 0 H GLU A 37 -5.328 8.128 9.117 1.00 10.00 H new ATOM 0 HA GLU A 37 -7.608 6.723 8.397 1.00 10.00 H new ATOM 0 HB2 GLU A 37 -7.191 8.139 11.021 1.00 10.00 H new ATOM 0 HB3 GLU A 37 -8.254 6.785 10.693 1.00 10.00 H new ATOM 0 HG2 GLU A 37 -5.245 6.654 10.348 1.00 10.00 H new ATOM 0 HG3 GLU A 37 -6.057 6.245 11.846 1.00 10.00 H new ATOM 605 N ALA A 38 -7.993 9.915 9.064 1.00 10.00 N ATOM 606 CA ALA A 38 -8.762 11.153 8.964 1.00 10.00 C ATOM 607 C ALA A 38 -9.234 11.415 7.549 1.00 10.00 C ATOM 608 O ALA A 38 -10.336 11.942 7.349 1.00 10.00 O ATOM 609 CB ALA A 38 -7.913 12.323 9.460 1.00 10.00 C ATOM 0 H ALA A 38 -7.071 10.059 9.475 1.00 10.00 H new ATOM 0 HA ALA A 38 -9.650 11.048 9.588 1.00 10.00 H new ATOM 0 HB1 ALA A 38 -8.487 13.247 9.385 1.00 10.00 H new ATOM 0 HB2 ALA A 38 -7.632 12.154 10.499 1.00 10.00 H new ATOM 0 HB3 ALA A 38 -7.014 12.404 8.850 1.00 10.00 H new ATOM 615 N ALA A 39 -8.450 11.046 6.568 1.00 10.00 N ATOM 616 CA ALA A 39 -8.837 11.267 5.197 1.00 10.00 C ATOM 617 C ALA A 39 -9.674 10.097 4.689 1.00 10.00 C ATOM 618 O ALA A 39 -10.367 10.215 3.677 1.00 10.00 O ATOM 619 CB ALA A 39 -7.601 11.457 4.338 1.00 10.00 C ATOM 0 H ALA A 39 -7.544 10.593 6.691 1.00 10.00 H new ATOM 0 HA ALA A 39 -9.444 12.170 5.138 1.00 10.00 H new ATOM 0 HB1 ALA A 39 -7.899 11.624 3.303 1.00 10.00 H new ATOM 0 HB2 ALA A 39 -7.038 12.319 4.696 1.00 10.00 H new ATOM 0 HB3 ALA A 39 -6.977 10.565 4.397 1.00 10.00 H new ATOM 625 N VAL A 40 -9.642 8.991 5.417 1.00 10.00 N ATOM 626 CA VAL A 40 -10.490 7.847 5.118 1.00 10.00 C ATOM 627 C VAL A 40 -11.791 8.004 5.925 1.00 10.00 C ATOM 628 O VAL A 40 -12.280 7.071 6.561 1.00 10.00 O ATOM 629 CB VAL A 40 -9.818 6.514 5.487 1.00 10.00 C ATOM 630 CG1 VAL A 40 -10.623 5.332 4.959 1.00 10.00 C ATOM 631 CG2 VAL A 40 -8.388 6.464 4.973 1.00 10.00 C ATOM 0 H VAL A 40 -9.033 8.861 6.225 1.00 10.00 H new ATOM 0 HA VAL A 40 -10.683 7.823 4.045 1.00 10.00 H new ATOM 0 HB VAL A 40 -9.789 6.445 6.574 1.00 10.00 H new ATOM 0 HG11 VAL A 40 -10.126 4.402 5.234 1.00 10.00 H new ATOM 0 HG12 VAL A 40 -11.623 5.351 5.392 1.00 10.00 H new ATOM 0 HG13 VAL A 40 -10.696 5.398 3.873 1.00 10.00 H new ATOM 0 HG21 VAL A 40 -7.936 5.511 5.247 1.00 10.00 H new ATOM 0 HG22 VAL A 40 -8.388 6.567 3.888 1.00 10.00 H new ATOM 0 HG23 VAL A 40 -7.814 7.279 5.415 1.00 10.00 H new ATOM 641 N ARG A 41 -12.317 9.220 5.918 1.00 10.00 N ATOM 642 CA ARG A 41 -13.539 9.591 6.661 1.00 10.00 C ATOM 643 C ARG A 41 -14.805 8.834 6.217 1.00 10.00 C ATOM 644 O ARG A 41 -15.915 9.212 6.590 1.00 10.00 O ATOM 645 CB ARG A 41 -13.794 11.098 6.543 1.00 10.00 C ATOM 646 CG ARG A 41 -14.079 11.580 5.123 1.00 10.00 C ATOM 647 CD ARG A 41 -12.800 11.902 4.366 1.00 10.00 C ATOM 648 NE ARG A 41 -13.007 12.937 3.357 1.00 10.00 N ATOM 649 CZ ARG A 41 -12.098 13.294 2.453 1.00 10.00 C ATOM 650 NH1 ARG A 41 -10.916 12.682 2.406 1.00 10.00 N ATOM 651 NH2 ARG A 41 -12.370 14.269 1.601 1.00 10.00 N ATOM 0 H ARG A 41 -11.911 9.995 5.393 1.00 10.00 H new ATOM 0 HA ARG A 41 -13.347 9.304 7.695 1.00 10.00 H new ATOM 0 HB2 ARG A 41 -14.638 11.362 7.180 1.00 10.00 H new ATOM 0 HB3 ARG A 41 -12.925 11.632 6.928 1.00 10.00 H new ATOM 0 HG2 ARG A 41 -14.636 10.814 4.584 1.00 10.00 H new ATOM 0 HG3 ARG A 41 -14.712 12.467 5.161 1.00 10.00 H new ATOM 0 HD2 ARG A 41 -12.035 12.230 5.070 1.00 10.00 H new ATOM 0 HD3 ARG A 41 -12.425 10.998 3.886 1.00 10.00 H new ATOM 0 HE ARG A 41 -13.907 13.418 3.344 1.00 10.00 H new ATOM 0 HH11 ARG A 41 -10.702 11.934 3.066 1.00 10.00 H new ATOM 0 HH12 ARG A 41 -10.224 12.961 1.710 1.00 10.00 H new ATOM 0 HH21 ARG A 41 -13.273 14.743 1.639 1.00 10.00 H new ATOM 0 HH22 ARG A 41 -11.677 14.547 0.906 1.00 10.00 H new ATOM 665 N ARG A 42 -14.644 7.788 5.425 1.00 10.00 N ATOM 666 CA ARG A 42 -15.771 6.993 4.958 1.00 10.00 C ATOM 667 C ARG A 42 -16.263 6.076 6.081 1.00 10.00 C ATOM 668 O ARG A 42 -15.452 5.502 6.806 1.00 10.00 O ATOM 669 CB ARG A 42 -15.331 6.170 3.735 1.00 10.00 C ATOM 670 CG ARG A 42 -16.472 5.547 2.943 1.00 10.00 C ATOM 671 CD ARG A 42 -17.471 6.592 2.479 1.00 10.00 C ATOM 672 NE ARG A 42 -18.729 6.517 3.222 1.00 10.00 N ATOM 673 CZ ARG A 42 -19.219 7.505 3.982 1.00 10.00 C ATOM 674 NH1 ARG A 42 -18.565 8.653 4.096 1.00 10.00 N ATOM 675 NH2 ARG A 42 -20.364 7.343 4.636 1.00 10.00 N ATOM 0 H ARG A 42 -13.736 7.466 5.089 1.00 10.00 H new ATOM 0 HA ARG A 42 -16.593 7.648 4.669 1.00 10.00 H new ATOM 0 HB2 ARG A 42 -14.754 6.813 3.070 1.00 10.00 H new ATOM 0 HB3 ARG A 42 -14.663 5.376 4.070 1.00 10.00 H new ATOM 0 HG2 ARG A 42 -16.069 5.020 2.078 1.00 10.00 H new ATOM 0 HG3 ARG A 42 -16.981 4.806 3.560 1.00 10.00 H new ATOM 0 HD2 ARG A 42 -17.038 7.585 2.599 1.00 10.00 H new ATOM 0 HD3 ARG A 42 -17.669 6.457 1.416 1.00 10.00 H new ATOM 0 HE ARG A 42 -19.269 5.654 3.157 1.00 10.00 H new ATOM 0 HH11 ARG A 42 -17.682 8.788 3.603 1.00 10.00 H new ATOM 0 HH12 ARG A 42 -18.945 9.401 4.677 1.00 10.00 H new ATOM 0 HH21 ARG A 42 -20.874 6.463 4.561 1.00 10.00 H new ATOM 0 HH22 ARG A 42 -20.733 8.099 5.213 1.00 10.00 H new ATOM 689 N LYS A 43 -17.586 5.964 6.246 1.00 10.00 N ATOM 690 CA LYS A 43 -18.152 5.088 7.275 1.00 10.00 C ATOM 691 C LYS A 43 -17.598 3.692 7.088 1.00 10.00 C ATOM 692 O LYS A 43 -17.061 3.082 8.018 1.00 10.00 O ATOM 693 CB LYS A 43 -19.686 5.029 7.216 1.00 10.00 C ATOM 694 CG LYS A 43 -20.242 3.692 7.713 1.00 10.00 C ATOM 695 CD LYS A 43 -21.760 3.681 7.801 1.00 10.00 C ATOM 696 CE LYS A 43 -22.273 2.434 8.514 1.00 10.00 C ATOM 697 NZ LYS A 43 -23.761 2.358 8.515 1.00 10.00 N ATOM 0 H LYS A 43 -18.277 6.463 5.686 1.00 10.00 H new ATOM 0 HA LYS A 43 -17.875 5.496 8.247 1.00 10.00 H new ATOM 0 HB2 LYS A 43 -20.101 5.837 7.818 1.00 10.00 H new ATOM 0 HB3 LYS A 43 -20.013 5.196 6.190 1.00 10.00 H new ATOM 0 HG2 LYS A 43 -19.916 2.897 7.043 1.00 10.00 H new ATOM 0 HG3 LYS A 43 -19.824 3.473 8.696 1.00 10.00 H new ATOM 0 HD2 LYS A 43 -22.101 4.570 8.332 1.00 10.00 H new ATOM 0 HD3 LYS A 43 -22.183 3.727 6.798 1.00 10.00 H new ATOM 0 HE2 LYS A 43 -21.866 1.547 8.029 1.00 10.00 H new ATOM 0 HE3 LYS A 43 -21.910 2.430 9.542 1.00 10.00 H new ATOM 0 HZ1 LYS A 43 -24.064 1.495 9.010 1.00 10.00 H new ATOM 0 HZ2 LYS A 43 -24.151 3.191 9.001 1.00 10.00 H new ATOM 0 HZ3 LYS A 43 -24.108 2.335 7.535 1.00 10.00 H new ATOM 711 N ASN A 44 -17.728 3.192 5.874 1.00 10.00 N ATOM 712 CA ASN A 44 -17.226 1.883 5.547 1.00 10.00 C ATOM 713 C ASN A 44 -15.741 1.989 5.242 1.00 10.00 C ATOM 714 O ASN A 44 -15.321 1.851 4.094 1.00 10.00 O ATOM 715 CB ASN A 44 -17.984 1.235 4.369 1.00 10.00 C ATOM 716 CG ASN A 44 -18.817 2.197 3.525 1.00 10.00 C ATOM 717 OD1 ASN A 44 -18.508 3.381 3.387 1.00 10.00 O ATOM 718 ND2 ASN A 44 -19.887 1.688 2.941 1.00 10.00 N ATOM 0 H ASN A 44 -18.179 3.679 5.100 1.00 10.00 H new ATOM 0 HA ASN A 44 -17.386 1.231 6.406 1.00 10.00 H new ATOM 0 HB2 ASN A 44 -17.261 0.740 3.720 1.00 10.00 H new ATOM 0 HB3 ASN A 44 -18.641 0.460 4.763 1.00 10.00 H new ATOM 0 HD21 ASN A 44 -20.480 2.279 2.359 1.00 10.00 H new ATOM 0 HD22 ASN A 44 -20.120 0.704 3.072 1.00 10.00 H new ATOM 725 N PHE A 45 -14.967 2.320 6.282 1.00 10.00 N ATOM 726 CA PHE A 45 -13.516 2.440 6.176 1.00 10.00 C ATOM 727 C PHE A 45 -12.960 1.228 5.441 1.00 10.00 C ATOM 728 O PHE A 45 -13.262 0.082 5.785 1.00 10.00 O ATOM 729 CB PHE A 45 -12.889 2.577 7.584 1.00 10.00 C ATOM 730 CG PHE A 45 -11.407 2.921 7.619 1.00 10.00 C ATOM 731 CD1 PHE A 45 -10.466 2.030 7.145 1.00 10.00 C ATOM 732 CD2 PHE A 45 -10.953 4.124 8.154 1.00 10.00 C ATOM 733 CE1 PHE A 45 -9.119 2.314 7.189 1.00 10.00 C ATOM 734 CE2 PHE A 45 -9.606 4.416 8.198 1.00 10.00 C ATOM 735 CZ PHE A 45 -8.685 3.513 7.715 1.00 10.00 C ATOM 0 H PHE A 45 -15.331 2.511 7.216 1.00 10.00 H new ATOM 0 HA PHE A 45 -13.262 3.336 5.609 1.00 10.00 H new ATOM 0 HB2 PHE A 45 -13.434 3.347 8.130 1.00 10.00 H new ATOM 0 HB3 PHE A 45 -13.038 1.640 8.120 1.00 10.00 H new ATOM 0 HD1 PHE A 45 -10.793 1.088 6.730 1.00 10.00 H new ATOM 0 HD2 PHE A 45 -11.666 4.838 8.540 1.00 10.00 H new ATOM 0 HE1 PHE A 45 -8.403 1.599 6.812 1.00 10.00 H new ATOM 0 HE2 PHE A 45 -9.272 5.356 8.613 1.00 10.00 H new ATOM 0 HZ PHE A 45 -7.630 3.742 7.748 1.00 10.00 H new ATOM 745 N LYS A 46 -12.203 1.512 4.395 1.00 10.00 N ATOM 746 CA LYS A 46 -11.552 0.502 3.567 1.00 10.00 C ATOM 747 C LYS A 46 -10.553 -0.320 4.393 1.00 10.00 C ATOM 748 O LYS A 46 -10.559 -0.216 5.607 1.00 10.00 O ATOM 749 CB LYS A 46 -10.870 1.219 2.415 1.00 10.00 C ATOM 750 CG LYS A 46 -11.423 0.828 1.062 1.00 10.00 C ATOM 751 CD LYS A 46 -12.156 1.982 0.405 1.00 10.00 C ATOM 752 CE LYS A 46 -12.828 1.543 -0.879 1.00 10.00 C ATOM 753 NZ LYS A 46 -13.646 0.322 -0.670 1.00 10.00 N ATOM 0 H LYS A 46 -12.018 2.467 4.089 1.00 10.00 H new ATOM 0 HA LYS A 46 -12.286 -0.204 3.178 1.00 10.00 H new ATOM 0 HB2 LYS A 46 -10.980 2.295 2.549 1.00 10.00 H new ATOM 0 HB3 LYS A 46 -9.802 1.002 2.441 1.00 10.00 H new ATOM 0 HG2 LYS A 46 -10.609 0.499 0.417 1.00 10.00 H new ATOM 0 HG3 LYS A 46 -12.102 -0.017 1.176 1.00 10.00 H new ATOM 0 HD2 LYS A 46 -12.903 2.380 1.092 1.00 10.00 H new ATOM 0 HD3 LYS A 46 -11.454 2.789 0.194 1.00 10.00 H new ATOM 0 HE2 LYS A 46 -13.461 2.347 -1.254 1.00 10.00 H new ATOM 0 HE3 LYS A 46 -12.072 1.351 -1.640 1.00 10.00 H new ATOM 0 HZ1 LYS A 46 -14.298 0.199 -1.471 1.00 10.00 H new ATOM 0 HZ2 LYS A 46 -13.021 -0.507 -0.602 1.00 10.00 H new ATOM 0 HZ3 LYS A 46 -14.193 0.417 0.210 1.00 10.00 H new ATOM 767 N PRO A 47 -9.731 -1.203 3.776 1.00 10.00 N ATOM 768 CA PRO A 47 -8.732 -1.987 4.514 1.00 10.00 C ATOM 769 C PRO A 47 -7.933 -1.116 5.494 1.00 10.00 C ATOM 770 O PRO A 47 -7.994 0.114 5.482 1.00 10.00 O ATOM 771 CB PRO A 47 -7.886 -2.593 3.411 1.00 10.00 C ATOM 772 CG PRO A 47 -8.825 -2.729 2.268 1.00 10.00 C ATOM 773 CD PRO A 47 -9.703 -1.515 2.340 1.00 10.00 C ATOM 0 HA PRO A 47 -9.166 -2.751 5.159 1.00 10.00 H new ATOM 0 HB2 PRO A 47 -7.041 -1.952 3.159 1.00 10.00 H new ATOM 0 HB3 PRO A 47 -7.476 -3.559 3.708 1.00 10.00 H new ATOM 0 HG2 PRO A 47 -8.289 -2.773 1.320 1.00 10.00 H new ATOM 0 HG3 PRO A 47 -9.411 -3.645 2.345 1.00 10.00 H new ATOM 0 HD2 PRO A 47 -9.296 -0.689 1.757 1.00 10.00 H new ATOM 0 HD3 PRO A 47 -10.702 -1.717 1.953 1.00 10.00 H new ATOM 781 N THR A 48 -7.070 -1.780 6.247 1.00 10.00 N ATOM 782 CA THR A 48 -6.133 -1.116 7.130 1.00 10.00 C ATOM 783 C THR A 48 -5.010 -0.719 6.211 1.00 10.00 C ATOM 784 O THR A 48 -5.152 -0.545 5.013 1.00 10.00 O ATOM 785 CB THR A 48 -5.669 -2.062 8.220 1.00 10.00 C ATOM 786 OG1 THR A 48 -4.871 -3.128 7.669 1.00 10.00 O ATOM 787 CG2 THR A 48 -6.889 -2.643 8.857 1.00 10.00 C ATOM 0 H THR A 48 -7.002 -2.798 6.261 1.00 10.00 H new ATOM 0 HA THR A 48 -6.557 -0.260 7.654 1.00 10.00 H new ATOM 0 HB THR A 48 -5.059 -1.521 8.944 1.00 10.00 H new ATOM 0 HG1 THR A 48 -4.715 -3.809 8.357 1.00 10.00 H new ATOM 0 HG21 THR A 48 -6.593 -3.331 9.649 1.00 10.00 H new ATOM 0 HG22 THR A 48 -7.495 -1.842 9.280 1.00 10.00 H new ATOM 0 HG23 THR A 48 -7.470 -3.180 8.107 1.00 10.00 H new ATOM 795 N LYS A 49 -3.858 -0.628 6.847 1.00 10.00 N ATOM 796 CA LYS A 49 -2.640 -0.146 6.236 1.00 10.00 C ATOM 797 C LYS A 49 -1.784 -1.243 5.587 1.00 10.00 C ATOM 798 O LYS A 49 -0.741 -0.946 5.008 1.00 10.00 O ATOM 799 CB LYS A 49 -1.823 0.565 7.332 1.00 10.00 C ATOM 800 CG LYS A 49 -1.994 0.003 8.744 1.00 10.00 C ATOM 801 CD LYS A 49 -2.538 1.064 9.696 1.00 10.00 C ATOM 802 CE LYS A 49 -4.060 1.077 9.707 1.00 10.00 C ATOM 803 NZ LYS A 49 -4.612 2.151 10.570 1.00 10.00 N ATOM 0 H LYS A 49 -3.743 -0.894 7.825 1.00 10.00 H new ATOM 0 HA LYS A 49 -2.920 0.524 5.423 1.00 10.00 H new ATOM 0 HB2 LYS A 49 -0.767 0.516 7.065 1.00 10.00 H new ATOM 0 HB3 LYS A 49 -2.100 1.619 7.342 1.00 10.00 H new ATOM 0 HG2 LYS A 49 -2.672 -0.850 8.719 1.00 10.00 H new ATOM 0 HG3 LYS A 49 -1.035 -0.363 9.112 1.00 10.00 H new ATOM 0 HD2 LYS A 49 -2.168 0.874 10.703 1.00 10.00 H new ATOM 0 HD3 LYS A 49 -2.167 2.045 9.399 1.00 10.00 H new ATOM 0 HE2 LYS A 49 -4.427 1.209 8.689 1.00 10.00 H new ATOM 0 HE3 LYS A 49 -4.426 0.111 10.055 1.00 10.00 H new ATOM 0 HZ1 LYS A 49 -5.566 1.885 10.888 1.00 10.00 H new ATOM 0 HZ2 LYS A 49 -3.995 2.283 11.397 1.00 10.00 H new ATOM 0 HZ3 LYS A 49 -4.662 3.039 10.030 1.00 10.00 H new ATOM 817 N TYR A 50 -2.185 -2.508 5.696 1.00 10.00 N ATOM 818 CA TYR A 50 -1.460 -3.540 4.977 1.00 10.00 C ATOM 819 C TYR A 50 -1.931 -3.437 3.544 1.00 10.00 C ATOM 820 O TYR A 50 -1.153 -3.766 2.650 1.00 10.00 O ATOM 821 CB TYR A 50 -1.791 -4.912 5.527 1.00 10.00 C ATOM 822 CG TYR A 50 -1.210 -5.216 6.887 1.00 10.00 C ATOM 823 CD1 TYR A 50 0.102 -5.627 7.018 1.00 10.00 C ATOM 824 CD2 TYR A 50 -1.991 -5.142 8.029 1.00 10.00 C ATOM 825 CE1 TYR A 50 0.622 -5.973 8.244 1.00 10.00 C ATOM 826 CE2 TYR A 50 -1.478 -5.468 9.265 1.00 10.00 C ATOM 827 CZ TYR A 50 -0.170 -5.890 9.367 1.00 10.00 C ATOM 828 OH TYR A 50 0.337 -6.278 10.585 1.00 10.00 O ATOM 0 H TYR A 50 -2.976 -2.830 6.253 1.00 10.00 H new ATOM 0 HA TYR A 50 -0.382 -3.407 5.071 1.00 10.00 H new ATOM 0 HB2 TYR A 50 -2.875 -5.012 5.582 1.00 10.00 H new ATOM 0 HB3 TYR A 50 -1.437 -5.664 4.822 1.00 10.00 H new ATOM 0 HD1 TYR A 50 0.731 -5.678 6.142 1.00 10.00 H new ATOM 0 HD2 TYR A 50 -3.020 -4.823 7.949 1.00 10.00 H new ATOM 0 HE1 TYR A 50 1.646 -6.308 8.325 1.00 10.00 H new ATOM 0 HE2 TYR A 50 -2.096 -5.393 10.148 1.00 10.00 H new ATOM 0 HH TYR A 50 -0.346 -6.157 11.277 1.00 10.00 H new ATOM 838 N SER A 51 -3.160 -3.051 3.268 1.00 10.00 N ATOM 839 CA SER A 51 -3.535 -2.867 1.868 1.00 10.00 C ATOM 840 C SER A 51 -2.680 -1.756 1.250 1.00 10.00 C ATOM 841 O SER A 51 -1.939 -1.042 1.927 1.00 10.00 O ATOM 842 CB SER A 51 -5.010 -2.540 1.751 1.00 10.00 C ATOM 843 OG SER A 51 -5.365 -1.564 2.692 1.00 10.00 O ATOM 0 H SER A 51 -3.892 -2.864 3.954 1.00 10.00 H new ATOM 0 HA SER A 51 -3.354 -3.794 1.324 1.00 10.00 H new ATOM 0 HB2 SER A 51 -5.232 -2.184 0.745 1.00 10.00 H new ATOM 0 HB3 SER A 51 -5.603 -3.441 1.909 1.00 10.00 H new ATOM 0 HG SER A 51 -5.772 -0.800 2.233 1.00 10.00 H new ATOM 849 N SER A 52 -2.832 -1.622 -0.059 1.00 10.00 N ATOM 850 CA SER A 52 -2.092 -0.651 -0.832 1.00 10.00 C ATOM 851 C SER A 52 -3.042 0.459 -1.321 1.00 10.00 C ATOM 852 O SER A 52 -4.261 0.277 -1.404 1.00 10.00 O ATOM 853 CB SER A 52 -1.377 -1.375 -1.980 1.00 10.00 C ATOM 854 OG SER A 52 -2.037 -2.611 -2.309 1.00 10.00 O ATOM 0 H SER A 52 -3.476 -2.188 -0.612 1.00 10.00 H new ATOM 0 HA SER A 52 -1.331 -0.164 -0.222 1.00 10.00 H new ATOM 0 HB2 SER A 52 -1.349 -0.730 -2.858 1.00 10.00 H new ATOM 0 HB3 SER A 52 -0.343 -1.576 -1.699 1.00 10.00 H new ATOM 0 HG SER A 52 -1.561 -3.050 -3.045 1.00 10.00 H new ATOM 860 N ILE A 53 -2.423 1.589 -1.685 1.00 10.00 N ATOM 861 CA ILE A 53 -3.095 2.815 -2.095 1.00 10.00 C ATOM 862 C ILE A 53 -2.454 3.277 -3.417 1.00 10.00 C ATOM 863 O ILE A 53 -1.325 2.889 -3.688 1.00 10.00 O ATOM 864 CB ILE A 53 -2.954 3.916 -0.987 1.00 10.00 C ATOM 865 CG1 ILE A 53 -3.718 3.550 0.297 1.00 10.00 C ATOM 866 CG2 ILE A 53 -3.443 5.265 -1.473 1.00 10.00 C ATOM 867 CD1 ILE A 53 -3.097 2.429 1.108 1.00 10.00 C ATOM 0 H ILE A 53 -1.406 1.671 -1.701 1.00 10.00 H new ATOM 0 HA ILE A 53 -4.161 2.638 -2.238 1.00 10.00 H new ATOM 0 HB ILE A 53 -1.889 3.974 -0.761 1.00 10.00 H new ATOM 0 HG12 ILE A 53 -3.790 4.438 0.926 1.00 10.00 H new ATOM 0 HG13 ILE A 53 -4.736 3.265 0.029 1.00 10.00 H new ATOM 0 HG21 ILE A 53 -3.329 6.001 -0.678 1.00 10.00 H new ATOM 0 HG22 ILE A 53 -2.858 5.573 -2.339 1.00 10.00 H new ATOM 0 HG23 ILE A 53 -4.494 5.192 -1.752 1.00 10.00 H new ATOM 0 HD11 ILE A 53 -3.704 2.241 1.994 1.00 10.00 H new ATOM 0 HD12 ILE A 53 -3.050 1.524 0.502 1.00 10.00 H new ATOM 0 HD13 ILE A 53 -2.090 2.715 1.412 1.00 10.00 H new ATOM 879 N CYS A 54 -3.132 4.077 -4.251 1.00 10.00 N ATOM 880 CA CYS A 54 -2.516 4.541 -5.496 1.00 10.00 C ATOM 881 C CYS A 54 -2.142 6.045 -5.433 1.00 10.00 C ATOM 882 O CYS A 54 -2.727 6.832 -4.686 1.00 10.00 O ATOM 883 CB CYS A 54 -3.408 4.197 -6.692 1.00 10.00 C ATOM 884 SG CYS A 54 -4.886 5.202 -6.841 1.00 10.00 S ATOM 0 H CYS A 54 -4.083 4.408 -4.091 1.00 10.00 H new ATOM 0 HA CYS A 54 -1.573 4.011 -5.632 1.00 10.00 H new ATOM 0 HB2 CYS A 54 -2.822 4.299 -7.606 1.00 10.00 H new ATOM 0 HB3 CYS A 54 -3.703 3.150 -6.618 1.00 10.00 H new ATOM 0 HG CYS A 54 -5.797 4.757 -6.027 1.00 10.00 H new ATOM 889 N SER A 55 -1.159 6.395 -6.256 1.00 10.00 N ATOM 890 CA SER A 55 -0.491 7.716 -6.313 1.00 10.00 C ATOM 891 C SER A 55 -1.353 8.985 -6.357 1.00 10.00 C ATOM 892 O SER A 55 -1.015 9.972 -5.709 1.00 10.00 O ATOM 893 CB SER A 55 0.441 7.704 -7.511 1.00 10.00 C ATOM 894 OG SER A 55 -0.129 6.977 -8.570 1.00 10.00 O ATOM 0 H SER A 55 -0.778 5.741 -6.940 1.00 10.00 H new ATOM 0 HA SER A 55 0.004 7.806 -5.346 1.00 10.00 H new ATOM 0 HB2 SER A 55 0.644 8.726 -7.831 1.00 10.00 H new ATOM 0 HB3 SER A 55 1.397 7.261 -7.231 1.00 10.00 H new ATOM 0 HG SER A 55 -0.496 7.598 -9.233 1.00 10.00 H new ATOM 900 N GLU A 56 -2.454 8.963 -7.084 1.00 10.00 N ATOM 901 CA GLU A 56 -3.314 10.138 -7.271 1.00 10.00 C ATOM 902 C GLU A 56 -3.795 10.785 -5.968 1.00 10.00 C ATOM 903 O GLU A 56 -4.257 11.925 -5.961 1.00 10.00 O ATOM 904 CB GLU A 56 -4.531 9.705 -8.076 1.00 10.00 C ATOM 905 CG GLU A 56 -4.874 8.244 -7.834 1.00 10.00 C ATOM 906 CD GLU A 56 -6.355 7.978 -7.663 1.00 10.00 C ATOM 907 OE1 GLU A 56 -7.168 8.579 -8.384 1.00 10.00 O ATOM 908 OE2 GLU A 56 -6.704 7.135 -6.795 1.00 10.00 O ATOM 0 H GLU A 56 -2.787 8.129 -7.568 1.00 10.00 H new ATOM 0 HA GLU A 56 -2.714 10.891 -7.781 1.00 10.00 H new ATOM 0 HB2 GLU A 56 -5.384 10.328 -7.809 1.00 10.00 H new ATOM 0 HB3 GLU A 56 -4.340 9.863 -9.137 1.00 10.00 H new ATOM 0 HG2 GLU A 56 -4.503 7.651 -8.670 1.00 10.00 H new ATOM 0 HG3 GLU A 56 -4.349 7.901 -6.943 1.00 10.00 H new ATOM 915 N HIS A 57 -3.670 10.052 -4.879 1.00 10.00 N ATOM 916 CA HIS A 57 -4.139 10.516 -3.575 1.00 10.00 C ATOM 917 C HIS A 57 -3.132 11.382 -2.807 1.00 10.00 C ATOM 918 O HIS A 57 -3.523 12.087 -1.871 1.00 10.00 O ATOM 919 CB HIS A 57 -4.519 9.308 -2.719 1.00 10.00 C ATOM 920 CG HIS A 57 -5.622 8.496 -3.309 1.00 10.00 C ATOM 921 ND1 HIS A 57 -6.871 8.996 -3.611 1.00 10.00 N ATOM 922 CD2 HIS A 57 -5.650 7.185 -3.644 1.00 10.00 C ATOM 923 CE1 HIS A 57 -7.604 7.995 -4.109 1.00 10.00 C ATOM 924 NE2 HIS A 57 -6.906 6.869 -4.155 1.00 10.00 N ATOM 0 H HIS A 57 -3.245 9.125 -4.866 1.00 10.00 H new ATOM 0 HA HIS A 57 -4.998 11.157 -3.773 1.00 10.00 H new ATOM 0 HB2 HIS A 57 -3.642 8.675 -2.585 1.00 10.00 H new ATOM 0 HB3 HIS A 57 -4.819 9.652 -1.729 1.00 10.00 H new ATOM 0 HD2 HIS A 57 -4.828 6.493 -3.533 1.00 10.00 H new ATOM 0 HE1 HIS A 57 -8.630 8.091 -4.432 1.00 10.00 H new ATOM 0 HE2 HIS A 57 -7.223 5.961 -4.494 1.00 10.00 H new ATOM 932 N PHE A 58 -1.862 11.358 -3.187 1.00 10.00 N ATOM 933 CA PHE A 58 -0.851 12.144 -2.464 1.00 10.00 C ATOM 934 C PHE A 58 0.116 12.800 -3.414 1.00 10.00 C ATOM 935 O PHE A 58 0.525 12.200 -4.408 1.00 10.00 O ATOM 936 CB PHE A 58 -0.047 11.304 -1.464 1.00 10.00 C ATOM 937 CG PHE A 58 -0.222 9.837 -1.621 1.00 10.00 C ATOM 938 CD1 PHE A 58 0.343 9.192 -2.690 1.00 10.00 C ATOM 939 CD2 PHE A 58 -0.947 9.110 -0.705 1.00 10.00 C ATOM 940 CE1 PHE A 58 0.193 7.841 -2.849 1.00 10.00 C ATOM 941 CE2 PHE A 58 -1.109 7.752 -0.854 1.00 10.00 C ATOM 942 CZ PHE A 58 -0.537 7.113 -1.930 1.00 10.00 C ATOM 0 H PHE A 58 -1.504 10.817 -3.974 1.00 10.00 H new ATOM 0 HA PHE A 58 -1.411 12.900 -1.914 1.00 10.00 H new ATOM 0 HB2 PHE A 58 1.010 11.546 -1.571 1.00 10.00 H new ATOM 0 HB3 PHE A 58 -0.338 11.587 -0.452 1.00 10.00 H new ATOM 0 HD1 PHE A 58 0.912 9.756 -3.414 1.00 10.00 H new ATOM 0 HD2 PHE A 58 -1.394 9.611 0.141 1.00 10.00 H new ATOM 0 HE1 PHE A 58 0.646 7.344 -3.694 1.00 10.00 H new ATOM 0 HE2 PHE A 58 -1.682 7.191 -0.131 1.00 10.00 H new ATOM 0 HZ PHE A 58 -0.658 6.047 -2.055 1.00 10.00 H new ATOM 952 N THR A 59 0.415 14.057 -3.115 1.00 10.00 N ATOM 953 CA THR A 59 1.322 14.843 -3.899 1.00 10.00 C ATOM 954 C THR A 59 2.528 14.058 -4.302 1.00 10.00 C ATOM 955 O THR A 59 3.052 13.261 -3.533 1.00 10.00 O ATOM 956 CB THR A 59 1.730 16.110 -3.149 1.00 10.00 C ATOM 957 OG1 THR A 59 1.881 15.829 -1.751 1.00 10.00 O ATOM 958 CG2 THR A 59 0.674 17.179 -3.351 1.00 10.00 C ATOM 0 H THR A 59 0.025 14.552 -2.313 1.00 10.00 H new ATOM 0 HA THR A 59 0.798 15.133 -4.810 1.00 10.00 H new ATOM 0 HB THR A 59 2.684 16.466 -3.539 1.00 10.00 H new ATOM 0 HG1 THR A 59 2.144 16.647 -1.280 1.00 10.00 H new ATOM 0 HG21 THR A 59 0.965 18.083 -2.816 1.00 10.00 H new ATOM 0 HG22 THR A 59 0.579 17.401 -4.414 1.00 10.00 H new ATOM 0 HG23 THR A 59 -0.282 16.823 -2.968 1.00 10.00 H new ATOM 966 N PRO A 60 2.961 14.241 -5.542 1.00 10.00 N ATOM 967 CA PRO A 60 4.125 13.559 -6.075 1.00 10.00 C ATOM 968 C PRO A 60 5.327 13.682 -5.161 1.00 10.00 C ATOM 969 O PRO A 60 6.153 12.779 -5.044 1.00 10.00 O ATOM 970 CB PRO A 60 4.400 14.307 -7.393 1.00 10.00 C ATOM 971 CG PRO A 60 3.529 15.522 -7.350 1.00 10.00 C ATOM 972 CD PRO A 60 2.343 15.119 -6.546 1.00 10.00 C ATOM 0 HA PRO A 60 3.950 12.490 -6.194 1.00 10.00 H new ATOM 0 HB2 PRO A 60 5.452 14.581 -7.477 1.00 10.00 H new ATOM 0 HB3 PRO A 60 4.163 13.684 -8.255 1.00 10.00 H new ATOM 0 HG2 PRO A 60 4.048 16.364 -6.892 1.00 10.00 H new ATOM 0 HG3 PRO A 60 3.238 15.834 -8.353 1.00 10.00 H new ATOM 0 HD2 PRO A 60 1.844 15.975 -6.092 1.00 10.00 H new ATOM 0 HD3 PRO A 60 1.598 14.597 -7.146 1.00 10.00 H new ATOM 980 N ASP A 61 5.326 14.788 -4.433 1.00 10.00 N ATOM 981 CA ASP A 61 6.320 15.053 -3.423 1.00 10.00 C ATOM 982 C ASP A 61 6.224 13.940 -2.384 1.00 10.00 C ATOM 983 O ASP A 61 7.222 13.297 -2.058 1.00 10.00 O ATOM 984 CB ASP A 61 6.059 16.404 -2.743 1.00 10.00 C ATOM 985 CG ASP A 61 5.731 17.524 -3.720 1.00 10.00 C ATOM 986 OD1 ASP A 61 4.739 17.400 -4.471 1.00 10.00 O ATOM 987 OD2 ASP A 61 6.448 18.545 -3.714 1.00 10.00 O ATOM 0 H ASP A 61 4.629 15.526 -4.532 1.00 10.00 H new ATOM 0 HA ASP A 61 7.310 15.089 -3.878 1.00 10.00 H new ATOM 0 HB2 ASP A 61 5.234 16.294 -2.039 1.00 10.00 H new ATOM 0 HB3 ASP A 61 6.938 16.685 -2.163 1.00 10.00 H new ATOM 992 N SER A 62 5.000 13.689 -1.897 1.00 10.00 N ATOM 993 CA SER A 62 4.773 12.741 -0.821 1.00 10.00 C ATOM 994 C SER A 62 4.498 11.329 -1.296 1.00 10.00 C ATOM 995 O SER A 62 4.142 10.460 -0.514 1.00 10.00 O ATOM 996 CB SER A 62 3.560 13.188 -0.015 1.00 10.00 C ATOM 997 OG SER A 62 3.778 13.007 1.371 1.00 10.00 O ATOM 0 H SER A 62 4.152 14.139 -2.242 1.00 10.00 H new ATOM 0 HA SER A 62 5.691 12.725 -0.234 1.00 10.00 H new ATOM 0 HB2 SER A 62 3.350 14.238 -0.220 1.00 10.00 H new ATOM 0 HB3 SER A 62 2.683 12.621 -0.326 1.00 10.00 H new ATOM 0 HG SER A 62 2.930 12.784 1.809 1.00 10.00 H new ATOM 1003 N PHE A 63 4.652 11.140 -2.592 1.00 10.00 N ATOM 1004 CA PHE A 63 4.435 9.849 -3.244 1.00 10.00 C ATOM 1005 C PHE A 63 4.972 8.645 -2.444 1.00 10.00 C ATOM 1006 O PHE A 63 4.196 7.749 -2.105 1.00 10.00 O ATOM 1007 CB PHE A 63 5.063 9.834 -4.640 1.00 10.00 C ATOM 1008 CG PHE A 63 4.123 10.160 -5.777 1.00 10.00 C ATOM 1009 CD1 PHE A 63 2.750 10.114 -5.614 1.00 10.00 C ATOM 1010 CD2 PHE A 63 4.626 10.515 -7.020 1.00 10.00 C ATOM 1011 CE1 PHE A 63 1.899 10.414 -6.651 1.00 10.00 C ATOM 1012 CE2 PHE A 63 3.773 10.816 -8.068 1.00 10.00 C ATOM 1013 CZ PHE A 63 2.407 10.767 -7.881 1.00 10.00 C ATOM 0 H PHE A 63 4.934 11.881 -3.234 1.00 10.00 H new ATOM 0 HA PHE A 63 3.352 9.739 -3.307 1.00 10.00 H new ATOM 0 HB2 PHE A 63 5.887 10.547 -4.657 1.00 10.00 H new ATOM 0 HB3 PHE A 63 5.491 8.847 -4.817 1.00 10.00 H new ATOM 0 HD1 PHE A 63 2.339 9.837 -4.654 1.00 10.00 H new ATOM 0 HD2 PHE A 63 5.694 10.557 -7.172 1.00 10.00 H new ATOM 0 HE1 PHE A 63 0.830 10.373 -6.501 1.00 10.00 H new ATOM 0 HE2 PHE A 63 4.177 11.089 -9.032 1.00 10.00 H new ATOM 0 HZ PHE A 63 1.739 11.004 -8.696 1.00 10.00 H new ATOM 1023 N LYS A 64 6.287 8.608 -2.154 1.00 10.00 N ATOM 1024 CA LYS A 64 6.873 7.455 -1.433 1.00 10.00 C ATOM 1025 C LYS A 64 8.362 7.644 -1.107 1.00 10.00 C ATOM 1026 O LYS A 64 8.777 8.715 -0.675 1.00 10.00 O ATOM 1027 CB LYS A 64 6.680 6.180 -2.267 1.00 10.00 C ATOM 1028 CG LYS A 64 7.048 6.355 -3.737 1.00 10.00 C ATOM 1029 CD LYS A 64 7.107 5.028 -4.477 1.00 10.00 C ATOM 1030 CE LYS A 64 6.859 5.222 -5.964 1.00 10.00 C ATOM 1031 NZ LYS A 64 7.075 3.969 -6.733 1.00 10.00 N ATOM 0 H LYS A 64 6.952 9.342 -2.399 1.00 10.00 H new ATOM 0 HA LYS A 64 6.351 7.372 -0.480 1.00 10.00 H new ATOM 0 HB2 LYS A 64 7.287 5.381 -1.841 1.00 10.00 H new ATOM 0 HB3 LYS A 64 5.640 5.863 -2.196 1.00 10.00 H new ATOM 0 HG2 LYS A 64 6.317 7.005 -4.218 1.00 10.00 H new ATOM 0 HG3 LYS A 64 8.015 6.853 -3.811 1.00 10.00 H new ATOM 0 HD2 LYS A 64 8.082 4.566 -4.325 1.00 10.00 H new ATOM 0 HD3 LYS A 64 6.363 4.345 -4.067 1.00 10.00 H new ATOM 0 HE2 LYS A 64 5.838 5.571 -6.119 1.00 10.00 H new ATOM 0 HE3 LYS A 64 7.522 5.999 -6.344 1.00 10.00 H new ATOM 0 HZ1 LYS A 64 6.895 4.146 -7.742 1.00 10.00 H new ATOM 0 HZ2 LYS A 64 8.057 3.649 -6.607 1.00 10.00 H new ATOM 0 HZ3 LYS A 64 6.425 3.234 -6.389 1.00 10.00 H new ATOM 1045 N ARG A 65 9.158 6.580 -1.321 1.00 10.00 N ATOM 1046 CA ARG A 65 10.599 6.581 -1.040 1.00 10.00 C ATOM 1047 C ARG A 65 11.350 7.650 -1.833 1.00 10.00 C ATOM 1048 O ARG A 65 12.500 7.959 -1.530 1.00 10.00 O ATOM 1049 CB ARG A 65 11.212 5.196 -1.311 1.00 10.00 C ATOM 1050 CG ARG A 65 10.678 4.496 -2.556 1.00 10.00 C ATOM 1051 CD ARG A 65 10.765 2.978 -2.423 1.00 10.00 C ATOM 1052 NE ARG A 65 12.090 2.454 -2.796 1.00 10.00 N ATOM 1053 CZ ARG A 65 12.548 1.243 -2.444 1.00 10.00 C ATOM 1054 NH1 ARG A 65 11.828 0.460 -1.648 1.00 10.00 N ATOM 1055 NH2 ARG A 65 13.729 0.814 -2.886 1.00 10.00 N ATOM 0 H ARG A 65 8.815 5.695 -1.695 1.00 10.00 H new ATOM 0 HA ARG A 65 10.708 6.821 0.018 1.00 10.00 H new ATOM 0 HB2 ARG A 65 12.292 5.304 -1.407 1.00 10.00 H new ATOM 0 HB3 ARG A 65 11.031 4.558 -0.446 1.00 10.00 H new ATOM 0 HG2 ARG A 65 9.642 4.789 -2.724 1.00 10.00 H new ATOM 0 HG3 ARG A 65 11.246 4.819 -3.429 1.00 10.00 H new ATOM 0 HD2 ARG A 65 10.542 2.693 -1.395 1.00 10.00 H new ATOM 0 HD3 ARG A 65 10.005 2.517 -3.054 1.00 10.00 H new ATOM 0 HE ARG A 65 12.698 3.050 -3.358 1.00 10.00 H new ATOM 0 HH11 ARG A 65 10.923 0.779 -1.302 1.00 10.00 H new ATOM 0 HH12 ARG A 65 12.180 -0.460 -1.383 1.00 10.00 H new ATOM 0 HH21 ARG A 65 14.291 1.407 -3.496 1.00 10.00 H new ATOM 0 HH22 ARG A 65 14.071 -0.108 -2.614 1.00 10.00 H new ATOM 1069 N GLU A 66 10.695 8.217 -2.838 1.00 10.00 N ATOM 1070 CA GLU A 66 11.299 9.259 -3.654 1.00 10.00 C ATOM 1071 C GLU A 66 11.111 10.633 -3.001 1.00 10.00 C ATOM 1072 O GLU A 66 11.425 11.661 -3.597 1.00 10.00 O ATOM 1073 CB GLU A 66 10.738 9.247 -5.085 1.00 10.00 C ATOM 1074 CG GLU A 66 11.558 8.396 -6.040 1.00 10.00 C ATOM 1075 CD GLU A 66 10.993 8.371 -7.445 1.00 10.00 C ATOM 1076 OE1 GLU A 66 11.370 9.242 -8.256 1.00 10.00 O ATOM 1077 OE2 GLU A 66 10.175 7.476 -7.744 1.00 10.00 O ATOM 0 H GLU A 66 9.742 7.971 -3.107 1.00 10.00 H new ATOM 0 HA GLU A 66 12.368 9.055 -3.720 1.00 10.00 H new ATOM 0 HB2 GLU A 66 9.714 8.875 -5.064 1.00 10.00 H new ATOM 0 HB3 GLU A 66 10.698 10.269 -5.462 1.00 10.00 H new ATOM 0 HG2 GLU A 66 12.579 8.777 -6.072 1.00 10.00 H new ATOM 0 HG3 GLU A 66 11.609 7.377 -5.657 1.00 10.00 H new ATOM 1084 N SER A 67 10.559 10.638 -1.787 1.00 10.00 N ATOM 1085 CA SER A 67 10.337 11.866 -1.041 1.00 10.00 C ATOM 1086 C SER A 67 11.679 12.502 -0.612 1.00 10.00 C ATOM 1087 O SER A 67 12.460 12.963 -1.451 1.00 10.00 O ATOM 1088 CB SER A 67 9.433 11.544 0.165 1.00 10.00 C ATOM 1089 OG SER A 67 9.444 12.551 1.162 1.00 10.00 O ATOM 0 H SER A 67 10.257 9.794 -1.300 1.00 10.00 H new ATOM 0 HA SER A 67 9.838 12.604 -1.669 1.00 10.00 H new ATOM 0 HB2 SER A 67 8.411 11.401 -0.185 1.00 10.00 H new ATOM 0 HB3 SER A 67 9.753 10.601 0.608 1.00 10.00 H new ATOM 0 HG SER A 67 9.585 12.140 2.040 1.00 10.00 H new ATOM 1095 N ASN A 68 11.936 12.546 0.683 1.00 10.00 N ATOM 1096 CA ASN A 68 13.162 13.132 1.198 1.00 10.00 C ATOM 1097 C ASN A 68 14.175 12.071 1.612 1.00 10.00 C ATOM 1098 O ASN A 68 15.145 11.813 0.900 1.00 10.00 O ATOM 1099 CB ASN A 68 12.857 14.063 2.377 1.00 10.00 C ATOM 1100 CG ASN A 68 12.902 15.528 1.987 1.00 10.00 C ATOM 1101 OD1 ASN A 68 11.875 16.135 1.673 1.00 10.00 O ATOM 1102 ND2 ASN A 68 14.091 16.108 2.008 1.00 10.00 N ATOM 0 H ASN A 68 11.309 12.181 1.401 1.00 10.00 H new ATOM 0 HA ASN A 68 13.607 13.712 0.389 1.00 10.00 H new ATOM 0 HB2 ASN A 68 11.871 13.827 2.777 1.00 10.00 H new ATOM 0 HB3 ASN A 68 13.576 13.881 3.175 1.00 10.00 H new ATOM 0 HD21 ASN A 68 14.183 17.093 1.759 1.00 10.00 H new ATOM 0 HD22 ASN A 68 14.916 15.570 2.274 1.00 10.00 H new ATOM 1109 N ASN A 69 13.930 11.431 2.751 1.00 10.00 N ATOM 1110 CA ASN A 69 14.865 10.438 3.265 1.00 10.00 C ATOM 1111 C ASN A 69 14.656 9.073 2.614 1.00 10.00 C ATOM 1112 O ASN A 69 15.443 8.659 1.765 1.00 10.00 O ATOM 1113 CB ASN A 69 14.728 10.312 4.792 1.00 10.00 C ATOM 1114 CG ASN A 69 15.565 9.180 5.360 1.00 10.00 C ATOM 1115 OD1 ASN A 69 16.632 8.858 4.842 1.00 10.00 O ATOM 1116 ND2 ASN A 69 15.091 8.570 6.433 1.00 10.00 N ATOM 0 H ASN A 69 13.103 11.580 3.329 1.00 10.00 H new ATOM 0 HA ASN A 69 15.870 10.780 3.018 1.00 10.00 H new ATOM 0 HB2 ASN A 69 15.027 11.250 5.259 1.00 10.00 H new ATOM 0 HB3 ASN A 69 13.681 10.149 5.047 1.00 10.00 H new ATOM 0 HD21 ASN A 69 15.615 7.805 6.858 1.00 10.00 H new ATOM 0 HD22 ASN A 69 14.201 8.864 6.836 1.00 10.00 H new ATOM 1123 N LYS A 70 13.594 8.382 3.003 1.00 10.00 N ATOM 1124 CA LYS A 70 13.324 7.061 2.455 1.00 10.00 C ATOM 1125 C LYS A 70 11.823 6.755 2.412 1.00 10.00 C ATOM 1126 O LYS A 70 11.407 5.699 1.940 1.00 10.00 O ATOM 1127 CB LYS A 70 14.077 6.008 3.278 1.00 10.00 C ATOM 1128 CG LYS A 70 14.420 4.746 2.499 1.00 10.00 C ATOM 1129 CD LYS A 70 15.434 5.013 1.385 1.00 10.00 C ATOM 1130 CE LYS A 70 16.828 5.302 1.936 1.00 10.00 C ATOM 1131 NZ LYS A 70 17.829 5.510 0.853 1.00 10.00 N ATOM 0 H LYS A 70 12.913 8.709 3.688 1.00 10.00 H new ATOM 0 HA LYS A 70 13.677 7.036 1.424 1.00 10.00 H new ATOM 0 HB2 LYS A 70 14.998 6.449 3.659 1.00 10.00 H new ATOM 0 HB3 LYS A 70 13.472 5.736 4.143 1.00 10.00 H new ATOM 0 HG2 LYS A 70 14.822 3.997 3.182 1.00 10.00 H new ATOM 0 HG3 LYS A 70 13.510 4.329 2.068 1.00 10.00 H new ATOM 0 HD2 LYS A 70 15.479 4.150 0.721 1.00 10.00 H new ATOM 0 HD3 LYS A 70 15.099 5.859 0.785 1.00 10.00 H new ATOM 0 HE2 LYS A 70 16.790 6.189 2.569 1.00 10.00 H new ATOM 0 HE3 LYS A 70 17.146 4.473 2.568 1.00 10.00 H new ATOM 0 HZ1 LYS A 70 18.760 5.703 1.274 1.00 10.00 H new ATOM 0 HZ2 LYS A 70 17.886 4.655 0.264 1.00 10.00 H new ATOM 0 HZ3 LYS A 70 17.541 6.318 0.264 1.00 10.00 H new ATOM 1145 N LEU A 71 11.013 7.684 2.902 1.00 10.00 N ATOM 1146 CA LEU A 71 9.565 7.500 2.934 1.00 10.00 C ATOM 1147 C LEU A 71 8.880 8.814 2.555 1.00 10.00 C ATOM 1148 O LEU A 71 9.559 9.700 2.081 1.00 10.00 O ATOM 1149 CB LEU A 71 9.158 7.013 4.331 1.00 10.00 C ATOM 1150 CG LEU A 71 8.150 5.863 4.357 1.00 10.00 C ATOM 1151 CD1 LEU A 71 7.009 6.185 5.297 1.00 10.00 C ATOM 1152 CD2 LEU A 71 7.627 5.566 2.957 1.00 10.00 C ATOM 0 H LEU A 71 11.333 8.574 3.284 1.00 10.00 H new ATOM 0 HA LEU A 71 9.251 6.747 2.211 1.00 10.00 H new ATOM 0 HB2 LEU A 71 10.056 6.699 4.864 1.00 10.00 H new ATOM 0 HB3 LEU A 71 8.738 7.854 4.882 1.00 10.00 H new ATOM 0 HG LEU A 71 8.658 4.970 4.722 1.00 10.00 H new ATOM 0 HD11 LEU A 71 6.300 5.357 5.305 1.00 10.00 H new ATOM 0 HD12 LEU A 71 7.399 6.339 6.303 1.00 10.00 H new ATOM 0 HD13 LEU A 71 6.505 7.091 4.961 1.00 10.00 H new ATOM 0 HD21 LEU A 71 6.912 4.745 3.002 1.00 10.00 H new ATOM 0 HD22 LEU A 71 7.136 6.453 2.556 1.00 10.00 H new ATOM 0 HD23 LEU A 71 8.458 5.288 2.309 1.00 10.00 H new ATOM 1164 N LEU A 72 7.562 8.959 2.842 1.00 10.00 N ATOM 1165 CA LEU A 72 6.798 10.162 2.432 1.00 10.00 C ATOM 1166 C LEU A 72 7.368 11.389 3.106 1.00 10.00 C ATOM 1167 O LEU A 72 8.369 11.344 3.819 1.00 10.00 O ATOM 1168 CB LEU A 72 5.307 10.014 2.729 1.00 10.00 C ATOM 1169 CG LEU A 72 4.675 8.720 2.196 1.00 10.00 C ATOM 1170 CD1 LEU A 72 4.757 7.608 3.214 1.00 10.00 C ATOM 1171 CD2 LEU A 72 3.234 8.937 1.804 1.00 10.00 C ATOM 0 H LEU A 72 7.012 8.266 3.350 1.00 10.00 H new ATOM 0 HA LEU A 72 6.897 10.275 1.352 1.00 10.00 H new ATOM 0 HB2 LEU A 72 5.159 10.058 3.808 1.00 10.00 H new ATOM 0 HB3 LEU A 72 4.778 10.865 2.300 1.00 10.00 H new ATOM 0 HG LEU A 72 5.243 8.430 1.312 1.00 10.00 H new ATOM 0 HD11 LEU A 72 4.301 6.706 2.805 1.00 10.00 H new ATOM 0 HD12 LEU A 72 5.802 7.410 3.453 1.00 10.00 H new ATOM 0 HD13 LEU A 72 4.228 7.904 4.120 1.00 10.00 H new ATOM 0 HD21 LEU A 72 2.814 8.003 1.431 1.00 10.00 H new ATOM 0 HD22 LEU A 72 2.666 9.268 2.674 1.00 10.00 H new ATOM 0 HD23 LEU A 72 3.179 9.697 1.024 1.00 10.00 H new ATOM 1183 N LYS A 73 6.663 12.496 2.906 1.00 10.00 N ATOM 1184 CA LYS A 73 6.949 13.708 3.631 1.00 10.00 C ATOM 1185 C LYS A 73 6.127 13.593 4.902 1.00 10.00 C ATOM 1186 O LYS A 73 4.914 13.719 4.840 1.00 10.00 O ATOM 1187 CB LYS A 73 6.573 15.021 2.924 1.00 10.00 C ATOM 1188 CG LYS A 73 6.260 14.925 1.440 1.00 10.00 C ATOM 1189 CD LYS A 73 7.478 14.578 0.609 1.00 10.00 C ATOM 1190 CE LYS A 73 8.645 15.521 0.856 1.00 10.00 C ATOM 1191 NZ LYS A 73 8.266 16.959 0.735 1.00 10.00 N ATOM 0 H LYS A 73 5.890 12.570 2.245 1.00 10.00 H new ATOM 0 HA LYS A 73 8.028 13.777 3.769 1.00 10.00 H new ATOM 0 HB2 LYS A 73 5.705 15.444 3.429 1.00 10.00 H new ATOM 0 HB3 LYS A 73 7.394 15.726 3.055 1.00 10.00 H new ATOM 0 HG2 LYS A 73 5.490 14.169 1.283 1.00 10.00 H new ATOM 0 HG3 LYS A 73 5.849 15.875 1.097 1.00 10.00 H new ATOM 0 HD2 LYS A 73 7.787 13.557 0.834 1.00 10.00 H new ATOM 0 HD3 LYS A 73 7.212 14.605 -0.448 1.00 10.00 H new ATOM 0 HE2 LYS A 73 9.048 15.339 1.853 1.00 10.00 H new ATOM 0 HE3 LYS A 73 9.441 15.299 0.145 1.00 10.00 H new ATOM 0 HZ1 LYS A 73 9.103 17.518 0.474 1.00 10.00 H new ATOM 0 HZ2 LYS A 73 7.536 17.065 0.002 1.00 10.00 H new ATOM 0 HZ3 LYS A 73 7.894 17.298 1.645 1.00 10.00 H new ATOM 1205 N GLU A 74 6.744 13.248 6.000 1.00 10.00 N ATOM 1206 CA GLU A 74 6.044 13.043 7.284 1.00 10.00 C ATOM 1207 C GLU A 74 5.087 14.164 7.724 1.00 10.00 C ATOM 1208 O GLU A 74 4.392 14.051 8.732 1.00 10.00 O ATOM 1209 CB GLU A 74 7.075 12.856 8.371 1.00 10.00 C ATOM 1210 CG GLU A 74 7.761 14.136 8.772 1.00 10.00 C ATOM 1211 CD GLU A 74 9.262 13.994 8.845 1.00 10.00 C ATOM 1212 OE1 GLU A 74 9.928 14.144 7.800 1.00 10.00 O ATOM 1213 OE2 GLU A 74 9.788 13.728 9.946 1.00 10.00 O ATOM 0 H GLU A 74 7.751 13.095 6.052 1.00 10.00 H new ATOM 0 HA GLU A 74 5.415 12.168 7.123 1.00 10.00 H new ATOM 0 HB2 GLU A 74 6.594 12.421 9.247 1.00 10.00 H new ATOM 0 HB3 GLU A 74 7.825 12.142 8.031 1.00 10.00 H new ATOM 0 HG2 GLU A 74 7.509 14.918 8.056 1.00 10.00 H new ATOM 0 HG3 GLU A 74 7.383 14.458 9.742 1.00 10.00 H new ATOM 1220 N ASN A 75 5.060 15.222 6.955 1.00 10.00 N ATOM 1221 CA ASN A 75 4.143 16.333 7.183 1.00 10.00 C ATOM 1222 C ASN A 75 3.024 16.325 6.125 1.00 10.00 C ATOM 1223 O ASN A 75 2.287 17.298 5.979 1.00 10.00 O ATOM 1224 CB ASN A 75 4.901 17.654 7.107 1.00 10.00 C ATOM 1225 CG ASN A 75 5.202 18.239 8.473 1.00 10.00 C ATOM 1226 OD1 ASN A 75 5.393 17.377 9.457 1.00 10.00 O flip ATOM 1227 ND2 ASN A 75 5.278 19.457 8.643 1.00 10.00 N flip ATOM 0 H ASN A 75 5.671 15.347 6.148 1.00 10.00 H new ATOM 0 HA ASN A 75 3.701 16.223 8.173 1.00 10.00 H new ATOM 0 HB2 ASN A 75 5.836 17.500 6.569 1.00 10.00 H new ATOM 0 HB3 ASN A 75 4.316 18.371 6.531 1.00 10.00 H new ATOM 0 HD21 ASN A 75 5.124 20.092 7.860 1.00 10.00 H new ATOM 0 HD22 ASN A 75 5.495 19.830 9.567 1.00 10.00 H new ATOM 1234 N ALA A 76 2.893 15.208 5.410 1.00 10.00 N ATOM 1235 CA ALA A 76 1.909 15.048 4.328 1.00 10.00 C ATOM 1236 C ALA A 76 1.299 13.651 4.348 1.00 10.00 C ATOM 1237 O ALA A 76 1.921 12.641 4.676 1.00 10.00 O ATOM 1238 CB ALA A 76 2.586 15.248 2.974 1.00 10.00 C ATOM 0 H ALA A 76 3.469 14.380 5.563 1.00 10.00 H new ATOM 0 HA ALA A 76 1.127 15.792 4.480 1.00 10.00 H new ATOM 0 HB1 ALA A 76 1.851 15.128 2.178 1.00 10.00 H new ATOM 0 HB2 ALA A 76 3.013 16.250 2.925 1.00 10.00 H new ATOM 0 HB3 ALA A 76 3.378 14.509 2.851 1.00 10.00 H new ATOM 1244 N VAL A 77 0.018 13.678 3.949 1.00 10.00 N ATOM 1245 CA VAL A 77 -0.894 12.536 3.890 1.00 10.00 C ATOM 1246 C VAL A 77 -1.868 12.724 2.718 1.00 10.00 C ATOM 1247 O VAL A 77 -2.142 13.863 2.334 1.00 10.00 O ATOM 1248 CB VAL A 77 -1.704 12.464 5.229 1.00 10.00 C ATOM 1249 CG1 VAL A 77 -1.885 13.854 5.818 1.00 10.00 C ATOM 1250 CG2 VAL A 77 -3.080 11.818 5.069 1.00 10.00 C ATOM 0 H VAL A 77 -0.428 14.543 3.644 1.00 10.00 H new ATOM 0 HA VAL A 77 -0.327 11.616 3.749 1.00 10.00 H new ATOM 0 HB VAL A 77 -1.117 11.835 5.898 1.00 10.00 H new ATOM 0 HG11 VAL A 77 -2.450 13.785 6.748 1.00 10.00 H new ATOM 0 HG12 VAL A 77 -0.908 14.294 6.019 1.00 10.00 H new ATOM 0 HG13 VAL A 77 -2.427 14.481 5.110 1.00 10.00 H new ATOM 0 HG21 VAL A 77 -3.588 11.800 6.033 1.00 10.00 H new ATOM 0 HG22 VAL A 77 -3.672 12.394 4.358 1.00 10.00 H new ATOM 0 HG23 VAL A 77 -2.963 10.799 4.701 1.00 10.00 H new ATOM 1260 N PRO A 78 -2.348 11.616 2.094 1.00 10.00 N ATOM 1261 CA PRO A 78 -3.337 11.670 1.010 1.00 10.00 C ATOM 1262 C PRO A 78 -4.430 12.632 1.439 1.00 10.00 C ATOM 1263 O PRO A 78 -5.080 12.468 2.472 1.00 10.00 O ATOM 1264 CB PRO A 78 -3.840 10.225 0.888 1.00 10.00 C ATOM 1265 CG PRO A 78 -3.128 9.439 1.937 1.00 10.00 C ATOM 1266 CD PRO A 78 -1.947 10.256 2.390 1.00 10.00 C ATOM 0 HA PRO A 78 -2.956 12.021 0.051 1.00 10.00 H new ATOM 0 HB2 PRO A 78 -4.919 10.176 1.032 1.00 10.00 H new ATOM 0 HB3 PRO A 78 -3.633 9.825 -0.104 1.00 10.00 H new ATOM 0 HG2 PRO A 78 -3.792 9.228 2.775 1.00 10.00 H new ATOM 0 HG3 PRO A 78 -2.800 8.478 1.540 1.00 10.00 H new ATOM 0 HD2 PRO A 78 -1.747 10.118 3.453 1.00 10.00 H new ATOM 0 HD3 PRO A 78 -1.038 9.979 1.856 1.00 10.00 H new ATOM 1274 N THR A 79 -4.620 13.629 0.606 1.00 10.00 N ATOM 1275 CA THR A 79 -5.635 14.630 0.809 1.00 10.00 C ATOM 1276 C THR A 79 -6.538 14.711 -0.428 1.00 10.00 C ATOM 1277 O THR A 79 -7.603 15.324 -0.398 1.00 10.00 O ATOM 1278 CB THR A 79 -5.002 15.999 1.124 1.00 10.00 C ATOM 1279 OG1 THR A 79 -5.822 16.717 2.055 1.00 10.00 O ATOM 1280 CG2 THR A 79 -4.789 16.833 -0.135 1.00 10.00 C ATOM 0 H THR A 79 -4.067 13.767 -0.240 1.00 10.00 H new ATOM 0 HA THR A 79 -6.244 14.346 1.667 1.00 10.00 H new ATOM 0 HB THR A 79 -4.023 15.814 1.566 1.00 10.00 H new ATOM 0 HG1 THR A 79 -5.412 17.585 2.251 1.00 10.00 H new ATOM 0 HG21 THR A 79 -4.341 17.790 0.134 1.00 10.00 H new ATOM 0 HG22 THR A 79 -4.126 16.300 -0.816 1.00 10.00 H new ATOM 0 HG23 THR A 79 -5.748 17.006 -0.623 1.00 10.00 H new ATOM 1288 N ILE A 80 -6.108 14.042 -1.501 1.00 10.00 N ATOM 1289 CA ILE A 80 -6.800 14.082 -2.791 1.00 10.00 C ATOM 1290 C ILE A 80 -7.794 12.918 -2.924 1.00 10.00 C ATOM 1291 O ILE A 80 -8.364 12.702 -3.987 1.00 10.00 O ATOM 1292 CB ILE A 80 -5.784 13.983 -3.958 1.00 10.00 C ATOM 1293 CG1 ILE A 80 -4.474 14.716 -3.609 1.00 10.00 C ATOM 1294 CG2 ILE A 80 -6.383 14.511 -5.261 1.00 10.00 C ATOM 1295 CD1 ILE A 80 -4.295 16.053 -4.300 1.00 10.00 C ATOM 0 H ILE A 80 -5.272 13.458 -1.500 1.00 10.00 H new ATOM 0 HA ILE A 80 -7.337 15.030 -2.837 1.00 10.00 H new ATOM 0 HB ILE A 80 -5.549 12.929 -4.109 1.00 10.00 H new ATOM 0 HG12 ILE A 80 -4.436 14.871 -2.531 1.00 10.00 H new ATOM 0 HG13 ILE A 80 -3.633 14.073 -3.868 1.00 10.00 H new ATOM 0 HG21 ILE A 80 -5.646 14.428 -6.060 1.00 10.00 H new ATOM 0 HG22 ILE A 80 -7.266 13.926 -5.519 1.00 10.00 H new ATOM 0 HG23 ILE A 80 -6.665 15.556 -5.135 1.00 10.00 H new ATOM 0 HD11 ILE A 80 -3.347 16.496 -3.995 1.00 10.00 H new ATOM 0 HD12 ILE A 80 -4.297 15.907 -5.380 1.00 10.00 H new ATOM 0 HD13 ILE A 80 -5.112 16.718 -4.022 1.00 10.00 H new ATOM 1307 N PHE A 81 -7.971 12.161 -1.833 1.00 10.00 N ATOM 1308 CA PHE A 81 -8.849 10.981 -1.809 1.00 10.00 C ATOM 1309 C PHE A 81 -10.147 11.157 -2.599 1.00 10.00 C ATOM 1310 O PHE A 81 -10.516 10.263 -3.355 1.00 10.00 O ATOM 1311 CB PHE A 81 -9.195 10.602 -0.369 1.00 10.00 C ATOM 1312 CG PHE A 81 -8.240 9.635 0.287 1.00 10.00 C ATOM 1313 CD1 PHE A 81 -7.216 9.018 -0.419 1.00 10.00 C ATOM 1314 CD2 PHE A 81 -8.390 9.330 1.624 1.00 10.00 C ATOM 1315 CE1 PHE A 81 -6.370 8.121 0.200 1.00 10.00 C ATOM 1316 CE2 PHE A 81 -7.549 8.432 2.248 1.00 10.00 C ATOM 1317 CZ PHE A 81 -6.540 7.826 1.536 1.00 10.00 C ATOM 0 H PHE A 81 -7.510 12.348 -0.942 1.00 10.00 H new ATOM 0 HA PHE A 81 -8.282 10.187 -2.295 1.00 10.00 H new ATOM 0 HB2 PHE A 81 -9.234 11.512 0.230 1.00 10.00 H new ATOM 0 HB3 PHE A 81 -10.194 10.167 -0.355 1.00 10.00 H new ATOM 0 HD1 PHE A 81 -7.080 9.243 -1.466 1.00 10.00 H new ATOM 0 HD2 PHE A 81 -9.179 9.802 2.191 1.00 10.00 H new ATOM 0 HE1 PHE A 81 -5.576 7.651 -0.361 1.00 10.00 H new ATOM 0 HE2 PHE A 81 -7.683 8.205 3.295 1.00 10.00 H new ATOM 0 HZ PHE A 81 -5.882 7.121 2.022 1.00 10.00 H new ATOM 1327 N LEU A 82 -10.818 12.294 -2.439 1.00 10.00 N ATOM 1328 CA LEU A 82 -12.072 12.555 -3.140 1.00 10.00 C ATOM 1329 C LEU A 82 -12.531 13.983 -2.871 1.00 10.00 C ATOM 1330 O LEU A 82 -11.926 14.690 -2.061 1.00 10.00 O ATOM 1331 CB LEU A 82 -13.155 11.565 -2.677 1.00 10.00 C ATOM 1332 CG LEU A 82 -13.670 10.545 -3.718 1.00 10.00 C ATOM 1333 CD1 LEU A 82 -15.181 10.657 -3.853 1.00 10.00 C ATOM 1334 CD2 LEU A 82 -13.002 10.722 -5.078 1.00 10.00 C ATOM 0 H LEU A 82 -10.513 13.052 -1.828 1.00 10.00 H new ATOM 0 HA LEU A 82 -11.909 12.427 -4.210 1.00 10.00 H new ATOM 0 HB2 LEU A 82 -12.763 11.010 -1.825 1.00 10.00 H new ATOM 0 HB3 LEU A 82 -14.008 12.141 -2.317 1.00 10.00 H new ATOM 0 HG LEU A 82 -13.410 9.550 -3.358 1.00 10.00 H new ATOM 0 HD11 LEU A 82 -15.535 9.935 -4.589 1.00 10.00 H new ATOM 0 HD12 LEU A 82 -15.648 10.453 -2.890 1.00 10.00 H new ATOM 0 HD13 LEU A 82 -15.444 11.664 -4.178 1.00 10.00 H new ATOM 0 HD21 LEU A 82 -13.396 9.983 -5.776 1.00 10.00 H new ATOM 0 HD22 LEU A 82 -13.206 11.724 -5.456 1.00 10.00 H new ATOM 0 HD23 LEU A 82 -11.925 10.586 -4.975 1.00 10.00 H new