USER MOD reduce.3.24.130724 H: found=0, std=0, add=591, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 591 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 8 SER OG : rot 29:sc= -0.0858 USER MOD Single : A 9 MET CE :methyl 142:sc= -2.43 (180deg=-6.34!) USER MOD Single : A 10 GLN : amide:sc= -0.419 X(o=-0.42,f=-0.71) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 THR OG1 : rot -74:sc= 0.129 USER MOD Single : A 17 THR OG1 : rot -44:sc= 1.11 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.00252 USER MOD Single : A 28 SER OG : rot -36:sc= 0.0387 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= -0.964 X(o=-0.96,f=-1.1) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ -163:sc= 0.884 (180deg=0.596) USER MOD Single : A 39 GLN : amide:sc= -0.0425 X(o=-0.042,f=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 GLN : amide:sc= -2.87 K(o=-2.9,f=-6.6!) USER MOD Single : A 49 GLN : amide:sc= -1.15 K(o=-1.2,f=-8.5!) USER MOD Single : A 56 LYS NZ :NH3+ 130:sc= -0.0958 (180deg=-0.5) USER MOD Single : A 57 GLN : amide:sc= -0.937 X(o=-0.94,f=-0.75) USER MOD Single : A 63 THR OG1 : rot 57:sc= -0.966 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 67 TYR OH : rot 178:sc= 0.547 USER MOD Single : A 68 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 GLN : amide:sc= -0.0388 K(o=-0.039,f=-1.7!) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 SER OG : rot -76:sc= -4.16! USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 HIS : no HD1:sc= 0 X(o=0,f=-0.0011) USER MOD ----------------------------------------------------------------- ATOM 99 N SER A 8 -5.145 9.479 -16.623 1.00 0.00 N ATOM 100 CA SER A 8 -6.094 10.111 -15.714 1.00 0.00 C ATOM 101 C SER A 8 -6.701 11.361 -16.345 1.00 0.00 C ATOM 102 O SER A 8 -5.984 12.261 -16.781 1.00 0.00 O ATOM 103 CB SER A 8 -5.406 10.475 -14.397 1.00 0.00 C ATOM 104 OG SER A 8 -4.964 9.314 -13.715 1.00 0.00 O ATOM 0 HA SER A 8 -6.895 9.400 -15.513 1.00 0.00 H new ATOM 0 HB2 SER A 8 -4.557 11.130 -14.595 1.00 0.00 H new ATOM 0 HB3 SER A 8 -6.097 11.032 -13.764 1.00 0.00 H new ATOM 0 HG SER A 8 -4.760 8.610 -14.366 1.00 0.00 H new ATOM 110 N MET A 9 -8.029 11.407 -16.391 1.00 0.00 N ATOM 111 CA MET A 9 -8.734 12.546 -16.968 1.00 0.00 C ATOM 112 C MET A 9 -9.696 13.159 -15.956 1.00 0.00 C ATOM 113 O MET A 9 -10.100 12.504 -14.996 1.00 0.00 O ATOM 114 CB MET A 9 -9.499 12.117 -18.221 1.00 0.00 C ATOM 115 CG MET A 9 -10.764 11.330 -17.922 1.00 0.00 C ATOM 116 SD MET A 9 -10.821 9.750 -18.788 1.00 0.00 S ATOM 117 CE MET A 9 -11.303 8.652 -17.458 1.00 0.00 C ATOM 0 H MET A 9 -8.638 10.670 -16.036 1.00 0.00 H new ATOM 0 HA MET A 9 -7.995 13.299 -17.242 1.00 0.00 H new ATOM 0 HB2 MET A 9 -9.761 13.004 -18.798 1.00 0.00 H new ATOM 0 HB3 MET A 9 -8.844 11.511 -18.847 1.00 0.00 H new ATOM 0 HG2 MET A 9 -10.832 11.154 -16.848 1.00 0.00 H new ATOM 0 HG3 MET A 9 -11.633 11.925 -18.203 1.00 0.00 H new ATOM 0 HE1 MET A 9 -11.994 7.900 -17.839 1.00 0.00 H new ATOM 0 HE2 MET A 9 -10.418 8.160 -17.054 1.00 0.00 H new ATOM 0 HE3 MET A 9 -11.790 9.227 -16.670 1.00 0.00 H new ATOM 127 N GLN A 10 -10.057 14.419 -16.177 1.00 0.00 N ATOM 128 CA GLN A 10 -10.971 15.120 -15.283 1.00 0.00 C ATOM 129 C GLN A 10 -12.406 15.026 -15.789 1.00 0.00 C ATOM 130 O GLN A 10 -12.663 15.167 -16.985 1.00 0.00 O ATOM 131 CB GLN A 10 -10.560 16.587 -15.147 1.00 0.00 C ATOM 132 CG GLN A 10 -11.056 17.241 -13.867 1.00 0.00 C ATOM 133 CD GLN A 10 -10.073 18.251 -13.310 1.00 0.00 C ATOM 134 OE1 GLN A 10 -10.093 19.425 -13.681 1.00 0.00 O ATOM 135 NE2 GLN A 10 -9.205 17.800 -12.412 1.00 0.00 N ATOM 0 H GLN A 10 -9.731 14.975 -16.967 1.00 0.00 H new ATOM 0 HA GLN A 10 -10.919 14.644 -14.304 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -9.473 16.656 -15.183 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -10.943 17.144 -16.002 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -12.008 17.735 -14.061 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -11.243 16.471 -13.119 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -9.223 16.819 -12.133 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -8.520 18.434 -12.001 1.00 0.00 H new ATOM 144 N ILE A 11 -13.338 14.787 -14.871 1.00 0.00 N ATOM 145 CA ILE A 11 -14.747 14.676 -15.225 1.00 0.00 C ATOM 146 C ILE A 11 -15.599 15.634 -14.400 1.00 0.00 C ATOM 147 O ILE A 11 -15.134 16.199 -13.410 1.00 0.00 O ATOM 148 CB ILE A 11 -15.267 13.240 -15.022 1.00 0.00 C ATOM 149 CG1 ILE A 11 -15.282 12.886 -13.534 1.00 0.00 C ATOM 150 CG2 ILE A 11 -14.409 12.252 -15.799 1.00 0.00 C ATOM 151 CD1 ILE A 11 -15.793 11.491 -13.250 1.00 0.00 C ATOM 0 H ILE A 11 -13.142 14.667 -13.877 1.00 0.00 H new ATOM 0 HA ILE A 11 -14.828 14.938 -16.280 1.00 0.00 H new ATOM 0 HB ILE A 11 -16.288 13.181 -15.400 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -14.272 12.982 -13.136 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -15.904 13.607 -13.004 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -14.788 11.242 -15.646 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -14.444 12.496 -16.861 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -13.379 12.310 -15.448 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -15.776 11.309 -12.175 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -16.815 11.396 -13.618 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -15.157 10.761 -13.752 1.00 0.00 H new ATOM 163 N PHE A 12 -16.849 15.812 -14.813 1.00 0.00 N ATOM 164 CA PHE A 12 -17.767 16.702 -14.111 1.00 0.00 C ATOM 165 C PHE A 12 -18.892 15.911 -13.450 1.00 0.00 C ATOM 166 O PHE A 12 -19.557 15.099 -14.093 1.00 0.00 O ATOM 167 CB PHE A 12 -18.354 17.731 -15.080 1.00 0.00 C ATOM 168 CG PHE A 12 -17.320 18.627 -15.701 1.00 0.00 C ATOM 169 CD1 PHE A 12 -16.614 19.533 -14.926 1.00 0.00 C ATOM 170 CD2 PHE A 12 -17.054 18.562 -17.059 1.00 0.00 C ATOM 171 CE1 PHE A 12 -15.663 20.359 -15.495 1.00 0.00 C ATOM 172 CE2 PHE A 12 -16.104 19.385 -17.634 1.00 0.00 C ATOM 173 CZ PHE A 12 -15.407 20.284 -16.850 1.00 0.00 C ATOM 0 H PHE A 12 -17.250 15.352 -15.630 1.00 0.00 H new ATOM 0 HA PHE A 12 -17.207 17.222 -13.334 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -18.892 17.208 -15.871 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -19.083 18.344 -14.549 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -16.809 19.594 -13.866 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -17.595 17.860 -17.676 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -15.121 21.062 -14.881 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -15.907 19.325 -18.694 1.00 0.00 H new ATOM 0 HZ PHE A 12 -14.663 20.927 -17.296 1.00 0.00 H new ATOM 183 N VAL A 13 -19.098 16.153 -12.159 1.00 0.00 N ATOM 184 CA VAL A 13 -20.141 15.464 -11.409 1.00 0.00 C ATOM 185 C VAL A 13 -21.040 16.457 -10.680 1.00 0.00 C ATOM 186 O VAL A 13 -20.576 17.483 -10.183 1.00 0.00 O ATOM 187 CB VAL A 13 -19.542 14.483 -10.384 1.00 0.00 C ATOM 188 CG1 VAL A 13 -20.638 13.647 -9.741 1.00 0.00 C ATOM 189 CG2 VAL A 13 -18.500 13.594 -11.046 1.00 0.00 C ATOM 0 H VAL A 13 -18.556 16.821 -11.611 1.00 0.00 H new ATOM 0 HA VAL A 13 -20.733 14.904 -12.133 1.00 0.00 H new ATOM 0 HB VAL A 13 -19.051 15.058 -9.599 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -20.196 12.960 -9.020 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -21.344 14.303 -9.232 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -21.161 13.079 -10.510 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -18.086 12.907 -10.308 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -18.965 13.025 -11.851 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -17.700 14.212 -11.454 1.00 0.00 H new ATOM 199 N LYS A 14 -22.330 16.145 -10.619 1.00 0.00 N ATOM 200 CA LYS A 14 -23.296 17.008 -9.949 1.00 0.00 C ATOM 201 C LYS A 14 -23.704 16.423 -8.600 1.00 0.00 C ATOM 202 O LYS A 14 -23.823 15.207 -8.449 1.00 0.00 O ATOM 203 CB LYS A 14 -24.533 17.201 -10.828 1.00 0.00 C ATOM 204 CG LYS A 14 -24.360 18.269 -11.895 1.00 0.00 C ATOM 205 CD LYS A 14 -23.768 17.691 -13.170 1.00 0.00 C ATOM 206 CE LYS A 14 -23.162 18.778 -14.045 1.00 0.00 C ATOM 207 NZ LYS A 14 -24.206 19.565 -14.756 1.00 0.00 N ATOM 0 H LYS A 14 -22.731 15.300 -11.026 1.00 0.00 H new ATOM 0 HA LYS A 14 -22.824 17.976 -9.778 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -24.778 16.254 -11.310 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -25.380 17.465 -10.195 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -25.325 18.725 -12.115 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -23.712 19.060 -11.518 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -23.003 16.957 -12.917 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -24.543 17.164 -13.726 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -22.560 19.446 -13.429 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -22.490 18.325 -14.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -23.752 20.295 -15.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -24.764 18.932 -15.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -24.832 20.019 -14.061 1.00 0.00 H new ATOM 221 N THR A 15 -23.918 17.298 -7.622 1.00 0.00 N ATOM 222 CA THR A 15 -24.313 16.868 -6.287 1.00 0.00 C ATOM 223 C THR A 15 -25.806 17.081 -6.060 1.00 0.00 C ATOM 224 O THR A 15 -26.518 17.555 -6.946 1.00 0.00 O ATOM 225 CB THR A 15 -23.527 17.624 -5.198 1.00 0.00 C ATOM 226 OG1 THR A 15 -23.815 19.025 -5.269 1.00 0.00 O ATOM 227 CG2 THR A 15 -22.031 17.399 -5.357 1.00 0.00 C ATOM 0 H THR A 15 -23.824 18.308 -7.730 1.00 0.00 H new ATOM 0 HA THR A 15 -24.086 15.804 -6.217 1.00 0.00 H new ATOM 0 HB THR A 15 -23.835 17.240 -4.225 1.00 0.00 H new ATOM 0 HG1 THR A 15 -23.357 19.414 -6.043 1.00 0.00 H new ATOM 0 HG21 THR A 15 -21.497 17.942 -4.578 1.00 0.00 H new ATOM 0 HG22 THR A 15 -21.812 16.335 -5.273 1.00 0.00 H new ATOM 0 HG23 THR A 15 -21.711 17.759 -6.335 1.00 0.00 H new ATOM 235 N LEU A 16 -26.274 16.730 -4.867 1.00 0.00 N ATOM 236 CA LEU A 16 -27.683 16.883 -4.523 1.00 0.00 C ATOM 237 C LEU A 16 -28.022 18.346 -4.255 1.00 0.00 C ATOM 238 O LEU A 16 -29.185 18.746 -4.311 1.00 0.00 O ATOM 239 CB LEU A 16 -28.025 16.035 -3.297 1.00 0.00 C ATOM 240 CG LEU A 16 -27.221 16.333 -2.030 1.00 0.00 C ATOM 241 CD1 LEU A 16 -28.139 16.405 -0.820 1.00 0.00 C ATOM 242 CD2 LEU A 16 -26.143 15.279 -1.823 1.00 0.00 C ATOM 0 H LEU A 16 -25.698 16.338 -4.122 1.00 0.00 H new ATOM 0 HA LEU A 16 -28.277 16.541 -5.370 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -29.083 16.168 -3.072 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -27.883 14.985 -3.555 1.00 0.00 H new ATOM 0 HG LEU A 16 -26.736 17.302 -2.149 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -27.549 16.618 0.072 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -28.873 17.197 -0.967 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -28.653 15.452 -0.696 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -25.581 15.507 -0.917 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -26.608 14.298 -1.725 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -25.467 15.277 -2.678 1.00 0.00 H new ATOM 254 N THR A 17 -26.997 19.142 -3.964 1.00 0.00 N ATOM 255 CA THR A 17 -27.186 20.560 -3.688 1.00 0.00 C ATOM 256 C THR A 17 -26.968 21.398 -4.943 1.00 0.00 C ATOM 257 O THR A 17 -26.580 22.563 -4.863 1.00 0.00 O ATOM 258 CB THR A 17 -26.228 21.050 -2.585 1.00 0.00 C ATOM 259 OG1 THR A 17 -26.504 22.419 -2.269 1.00 0.00 O ATOM 260 CG2 THR A 17 -24.779 20.907 -3.024 1.00 0.00 C ATOM 0 H THR A 17 -26.028 18.828 -3.914 1.00 0.00 H new ATOM 0 HA THR A 17 -28.214 20.681 -3.347 1.00 0.00 H new ATOM 0 HB THR A 17 -26.384 20.435 -1.699 1.00 0.00 H new ATOM 0 HG1 THR A 17 -26.638 22.925 -3.097 1.00 0.00 H new ATOM 0 HG21 THR A 17 -24.122 21.259 -2.229 1.00 0.00 H new ATOM 0 HG22 THR A 17 -24.564 19.859 -3.235 1.00 0.00 H new ATOM 0 HG23 THR A 17 -24.611 21.500 -3.923 1.00 0.00 H new ATOM 268 N GLY A 18 -27.221 20.798 -6.101 1.00 0.00 N ATOM 269 CA GLY A 18 -27.048 21.505 -7.357 1.00 0.00 C ATOM 270 C GLY A 18 -25.659 22.093 -7.504 1.00 0.00 C ATOM 271 O GLY A 18 -25.482 23.142 -8.124 1.00 0.00 O ATOM 0 H GLY A 18 -27.543 19.834 -6.193 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -27.239 20.822 -8.184 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -27.787 22.304 -7.426 1.00 0.00 H new ATOM 275 N LYS A 19 -24.668 21.417 -6.931 1.00 0.00 N ATOM 276 CA LYS A 19 -23.287 21.878 -7.000 1.00 0.00 C ATOM 277 C LYS A 19 -22.426 20.901 -7.794 1.00 0.00 C ATOM 278 O LYS A 19 -22.430 19.698 -7.532 1.00 0.00 O ATOM 279 CB LYS A 19 -22.714 22.051 -5.591 1.00 0.00 C ATOM 280 CG LYS A 19 -21.237 22.403 -5.574 1.00 0.00 C ATOM 281 CD LYS A 19 -20.370 21.164 -5.426 1.00 0.00 C ATOM 282 CE LYS A 19 -19.010 21.502 -4.834 1.00 0.00 C ATOM 283 NZ LYS A 19 -19.030 21.472 -3.345 1.00 0.00 N ATOM 0 H LYS A 19 -24.797 20.547 -6.413 1.00 0.00 H new ATOM 0 HA LYS A 19 -23.277 22.841 -7.510 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -23.271 22.833 -5.075 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -22.866 21.129 -5.030 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -20.975 22.923 -6.495 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -21.035 23.090 -4.752 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -20.876 20.439 -4.788 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -20.237 20.693 -6.400 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -18.268 20.793 -5.202 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -18.702 22.491 -5.173 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -18.085 21.708 -2.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -19.720 22.166 -2.993 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -19.299 20.521 -3.021 1.00 0.00 H new ATOM 297 N THR A 20 -21.686 21.426 -8.766 1.00 0.00 N ATOM 298 CA THR A 20 -20.820 20.600 -9.598 1.00 0.00 C ATOM 299 C THR A 20 -19.427 20.479 -8.991 1.00 0.00 C ATOM 300 O THR A 20 -18.779 21.484 -8.695 1.00 0.00 O ATOM 301 CB THR A 20 -20.698 21.172 -11.023 1.00 0.00 C ATOM 302 OG1 THR A 20 -21.928 21.797 -11.407 1.00 0.00 O ATOM 303 CG2 THR A 20 -20.350 20.075 -12.018 1.00 0.00 C ATOM 0 H THR A 20 -21.669 22.420 -8.996 1.00 0.00 H new ATOM 0 HA THR A 20 -21.279 19.613 -9.649 1.00 0.00 H new ATOM 0 HB THR A 20 -19.898 21.912 -11.026 1.00 0.00 H new ATOM 0 HG1 THR A 20 -21.842 22.160 -12.313 1.00 0.00 H new ATOM 0 HG21 THR A 20 -20.269 20.503 -13.017 1.00 0.00 H new ATOM 0 HG22 THR A 20 -19.399 19.620 -11.740 1.00 0.00 H new ATOM 0 HG23 THR A 20 -21.132 19.316 -12.010 1.00 0.00 H new ATOM 311 N ILE A 21 -18.971 19.244 -8.809 1.00 0.00 N ATOM 312 CA ILE A 21 -17.654 18.993 -8.238 1.00 0.00 C ATOM 313 C ILE A 21 -16.733 18.325 -9.254 1.00 0.00 C ATOM 314 O ILE A 21 -17.126 17.377 -9.935 1.00 0.00 O ATOM 315 CB ILE A 21 -17.744 18.106 -6.982 1.00 0.00 C ATOM 316 CG1 ILE A 21 -16.342 17.744 -6.486 1.00 0.00 C ATOM 317 CG2 ILE A 21 -18.548 16.849 -7.278 1.00 0.00 C ATOM 318 CD1 ILE A 21 -15.850 16.406 -6.990 1.00 0.00 C ATOM 0 H ILE A 21 -19.494 18.402 -9.049 1.00 0.00 H new ATOM 0 HA ILE A 21 -17.241 19.962 -7.959 1.00 0.00 H new ATOM 0 HB ILE A 21 -18.254 18.663 -6.197 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -15.643 18.520 -6.798 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -16.342 17.735 -5.396 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -18.603 16.232 -6.381 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -19.555 17.126 -7.590 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -18.063 16.286 -8.076 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -14.851 16.215 -6.599 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -16.527 15.620 -6.655 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -15.817 16.417 -8.079 1.00 0.00 H new ATOM 330 N THR A 22 -15.505 18.824 -9.349 1.00 0.00 N ATOM 331 CA THR A 22 -14.527 18.275 -10.281 1.00 0.00 C ATOM 332 C THR A 22 -13.834 17.051 -9.693 1.00 0.00 C ATOM 333 O THR A 22 -13.361 17.079 -8.556 1.00 0.00 O ATOM 334 CB THR A 22 -13.462 19.322 -10.658 1.00 0.00 C ATOM 335 OG1 THR A 22 -14.014 20.640 -10.561 1.00 0.00 O ATOM 336 CG2 THR A 22 -12.947 19.085 -12.070 1.00 0.00 C ATOM 0 H THR A 22 -15.164 19.607 -8.792 1.00 0.00 H new ATOM 0 HA THR A 22 -15.074 17.984 -11.178 1.00 0.00 H new ATOM 0 HB THR A 22 -12.628 19.226 -9.963 1.00 0.00 H new ATOM 0 HG1 THR A 22 -13.330 21.300 -10.801 1.00 0.00 H new ATOM 0 HG21 THR A 22 -12.196 19.836 -12.314 1.00 0.00 H new ATOM 0 HG22 THR A 22 -12.501 18.092 -12.133 1.00 0.00 H new ATOM 0 HG23 THR A 22 -13.775 19.156 -12.776 1.00 0.00 H new ATOM 344 N LEU A 23 -13.777 15.978 -10.474 1.00 0.00 N ATOM 345 CA LEU A 23 -13.141 14.742 -10.030 1.00 0.00 C ATOM 346 C LEU A 23 -12.204 14.197 -11.103 1.00 0.00 C ATOM 347 O LEU A 23 -12.367 14.486 -12.288 1.00 0.00 O ATOM 348 CB LEU A 23 -14.201 13.695 -9.683 1.00 0.00 C ATOM 349 CG LEU A 23 -13.867 12.763 -8.518 1.00 0.00 C ATOM 350 CD1 LEU A 23 -13.908 13.520 -7.200 1.00 0.00 C ATOM 351 CD2 LEU A 23 -14.828 11.583 -8.487 1.00 0.00 C ATOM 0 H LEU A 23 -14.163 15.939 -11.417 1.00 0.00 H new ATOM 0 HA LEU A 23 -12.554 14.964 -9.139 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -15.132 14.212 -9.453 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -14.385 13.086 -10.568 1.00 0.00 H new ATOM 0 HG LEU A 23 -12.857 12.380 -8.662 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -13.668 12.840 -6.382 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -13.180 14.331 -7.223 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -14.906 13.932 -7.048 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -14.576 10.930 -7.652 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -15.848 11.948 -8.367 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -14.749 11.025 -9.420 1.00 0.00 H new ATOM 363 N GLU A 24 -11.223 13.406 -10.679 1.00 0.00 N ATOM 364 CA GLU A 24 -10.261 12.820 -11.604 1.00 0.00 C ATOM 365 C GLU A 24 -10.223 11.301 -11.461 1.00 0.00 C ATOM 366 O GLU A 24 -10.061 10.774 -10.360 1.00 0.00 O ATOM 367 CB GLU A 24 -8.866 13.401 -11.361 1.00 0.00 C ATOM 368 CG GLU A 24 -7.741 12.508 -11.856 1.00 0.00 C ATOM 369 CD GLU A 24 -6.456 13.275 -12.105 1.00 0.00 C ATOM 370 OE1 GLU A 24 -6.502 14.522 -12.120 1.00 0.00 O ATOM 371 OE2 GLU A 24 -5.404 12.625 -12.286 1.00 0.00 O ATOM 0 H GLU A 24 -11.074 13.157 -9.701 1.00 0.00 H new ATOM 0 HA GLU A 24 -10.577 13.064 -12.618 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -8.794 14.370 -11.855 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -8.736 13.577 -10.293 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -7.555 11.723 -11.123 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -8.051 12.016 -12.778 1.00 0.00 H new ATOM 378 N VAL A 25 -10.375 10.602 -12.581 1.00 0.00 N ATOM 379 CA VAL A 25 -10.358 9.144 -12.581 1.00 0.00 C ATOM 380 C VAL A 25 -9.714 8.602 -13.852 1.00 0.00 C ATOM 381 O VAL A 25 -9.852 9.186 -14.927 1.00 0.00 O ATOM 382 CB VAL A 25 -11.780 8.566 -12.453 1.00 0.00 C ATOM 383 CG1 VAL A 25 -12.668 9.077 -13.578 1.00 0.00 C ATOM 384 CG2 VAL A 25 -11.738 7.046 -12.445 1.00 0.00 C ATOM 0 H VAL A 25 -10.511 11.022 -13.500 1.00 0.00 H new ATOM 0 HA VAL A 25 -9.769 8.834 -11.718 1.00 0.00 H new ATOM 0 HB VAL A 25 -12.205 8.900 -11.507 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -13.668 8.658 -13.471 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -12.723 10.165 -13.532 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -12.249 8.775 -14.538 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -12.751 6.654 -12.354 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -11.293 6.689 -13.374 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -11.139 6.703 -11.601 1.00 0.00 H new ATOM 394 N GLU A 26 -9.010 7.482 -13.721 1.00 0.00 N ATOM 395 CA GLU A 26 -8.343 6.862 -14.860 1.00 0.00 C ATOM 396 C GLU A 26 -9.361 6.252 -15.820 1.00 0.00 C ATOM 397 O GLU A 26 -10.467 5.873 -15.433 1.00 0.00 O ATOM 398 CB GLU A 26 -7.366 5.785 -14.383 1.00 0.00 C ATOM 399 CG GLU A 26 -6.557 6.195 -13.165 1.00 0.00 C ATOM 400 CD GLU A 26 -5.399 5.254 -12.890 1.00 0.00 C ATOM 401 OE1 GLU A 26 -5.389 4.144 -13.460 1.00 0.00 O ATOM 402 OE2 GLU A 26 -4.504 5.630 -12.104 1.00 0.00 O ATOM 0 H GLU A 26 -8.887 6.986 -12.838 1.00 0.00 H new ATOM 0 HA GLU A 26 -7.788 7.636 -15.390 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -7.924 4.878 -14.150 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -6.683 5.539 -15.196 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -6.173 7.205 -13.311 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -7.210 6.226 -12.293 1.00 0.00 H new ATOM 409 N PRO A 27 -8.980 6.153 -17.102 1.00 0.00 N ATOM 410 CA PRO A 27 -9.844 5.590 -18.144 1.00 0.00 C ATOM 411 C PRO A 27 -10.039 4.086 -17.984 1.00 0.00 C ATOM 412 O PRO A 27 -10.988 3.513 -18.520 1.00 0.00 O ATOM 413 CB PRO A 27 -9.086 5.897 -19.437 1.00 0.00 C ATOM 414 CG PRO A 27 -7.660 6.010 -19.023 1.00 0.00 C ATOM 415 CD PRO A 27 -7.676 6.584 -17.633 1.00 0.00 C ATOM 0 HA PRO A 27 -10.849 6.012 -18.113 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -9.223 5.105 -20.173 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -9.440 6.821 -19.893 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -7.171 5.036 -19.037 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -7.106 6.655 -19.705 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -6.851 6.203 -17.031 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -7.586 7.670 -17.646 1.00 0.00 H new ATOM 423 N SER A 28 -9.135 3.452 -17.245 1.00 0.00 N ATOM 424 CA SER A 28 -9.206 2.013 -17.018 1.00 0.00 C ATOM 425 C SER A 28 -9.751 1.709 -15.626 1.00 0.00 C ATOM 426 O SER A 28 -10.141 0.578 -15.333 1.00 0.00 O ATOM 427 CB SER A 28 -7.823 1.380 -17.186 1.00 0.00 C ATOM 428 OG SER A 28 -7.904 -0.034 -17.162 1.00 0.00 O ATOM 0 H SER A 28 -8.345 3.912 -16.793 1.00 0.00 H new ATOM 0 HA SER A 28 -9.885 1.587 -17.756 1.00 0.00 H new ATOM 0 HB2 SER A 28 -7.382 1.706 -18.128 1.00 0.00 H new ATOM 0 HB3 SER A 28 -7.163 1.723 -16.389 1.00 0.00 H new ATOM 0 HG SER A 28 -8.596 -0.311 -16.525 1.00 0.00 H new ATOM 434 N ASP A 29 -9.776 2.726 -14.772 1.00 0.00 N ATOM 435 CA ASP A 29 -10.274 2.570 -13.410 1.00 0.00 C ATOM 436 C ASP A 29 -11.770 2.269 -13.410 1.00 0.00 C ATOM 437 O ASP A 29 -12.457 2.478 -14.411 1.00 0.00 O ATOM 438 CB ASP A 29 -9.995 3.832 -12.594 1.00 0.00 C ATOM 439 CG ASP A 29 -8.606 3.834 -11.987 1.00 0.00 C ATOM 440 OD1 ASP A 29 -7.764 3.026 -12.431 1.00 0.00 O ATOM 441 OD2 ASP A 29 -8.361 4.643 -11.067 1.00 0.00 O ATOM 0 H ASP A 29 -9.457 3.668 -14.999 1.00 0.00 H new ATOM 0 HA ASP A 29 -9.752 1.729 -12.953 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -10.110 4.707 -13.233 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -10.736 3.918 -11.799 1.00 0.00 H new ATOM 446 N THR A 30 -12.269 1.777 -12.281 1.00 0.00 N ATOM 447 CA THR A 30 -13.683 1.445 -12.151 1.00 0.00 C ATOM 448 C THR A 30 -14.397 2.434 -11.237 1.00 0.00 C ATOM 449 O THR A 30 -13.763 3.280 -10.606 1.00 0.00 O ATOM 450 CB THR A 30 -13.877 0.020 -11.599 1.00 0.00 C ATOM 451 OG1 THR A 30 -13.476 -0.032 -10.226 1.00 0.00 O ATOM 452 CG2 THR A 30 -13.072 -0.987 -12.407 1.00 0.00 C ATOM 0 H THR A 30 -11.715 1.599 -11.443 1.00 0.00 H new ATOM 0 HA THR A 30 -14.115 1.501 -13.150 1.00 0.00 H new ATOM 0 HB THR A 30 -14.933 -0.236 -11.678 1.00 0.00 H new ATOM 0 HG1 THR A 30 -13.604 -0.941 -9.882 1.00 0.00 H new ATOM 0 HG21 THR A 30 -13.225 -1.986 -11.999 1.00 0.00 H new ATOM 0 HG22 THR A 30 -13.400 -0.965 -13.446 1.00 0.00 H new ATOM 0 HG23 THR A 30 -12.014 -0.732 -12.356 1.00 0.00 H new ATOM 460 N ILE A 31 -15.720 2.320 -11.170 1.00 0.00 N ATOM 461 CA ILE A 31 -16.520 3.204 -10.330 1.00 0.00 C ATOM 462 C ILE A 31 -15.997 3.223 -8.898 1.00 0.00 C ATOM 463 O ILE A 31 -16.142 4.218 -8.188 1.00 0.00 O ATOM 464 CB ILE A 31 -18.000 2.781 -10.319 1.00 0.00 C ATOM 465 CG1 ILE A 31 -18.532 2.667 -11.749 1.00 0.00 C ATOM 466 CG2 ILE A 31 -18.829 3.774 -9.517 1.00 0.00 C ATOM 467 CD1 ILE A 31 -18.359 3.932 -12.560 1.00 0.00 C ATOM 0 H ILE A 31 -16.260 1.625 -11.686 1.00 0.00 H new ATOM 0 HA ILE A 31 -16.440 4.204 -10.756 1.00 0.00 H new ATOM 0 HB ILE A 31 -18.079 1.803 -9.843 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -18.020 1.848 -12.254 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -19.590 2.409 -11.715 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -19.873 3.461 -9.519 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -18.462 3.809 -8.491 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -18.746 4.764 -9.966 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -18.758 3.779 -13.563 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -18.894 4.750 -12.077 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -17.300 4.180 -12.625 1.00 0.00 H new ATOM 479 N GLU A 32 -15.387 2.118 -8.481 1.00 0.00 N ATOM 480 CA GLU A 32 -14.841 2.009 -7.133 1.00 0.00 C ATOM 481 C GLU A 32 -13.751 3.052 -6.902 1.00 0.00 C ATOM 482 O GLU A 32 -13.597 3.570 -5.797 1.00 0.00 O ATOM 483 CB GLU A 32 -14.279 0.606 -6.898 1.00 0.00 C ATOM 484 CG GLU A 32 -15.284 -0.504 -7.157 1.00 0.00 C ATOM 485 CD GLU A 32 -16.525 -0.380 -6.295 1.00 0.00 C ATOM 486 OE1 GLU A 32 -16.493 -0.845 -5.136 1.00 0.00 O ATOM 487 OE2 GLU A 32 -17.529 0.183 -6.779 1.00 0.00 O ATOM 0 H GLU A 32 -15.258 1.286 -9.057 1.00 0.00 H new ATOM 0 HA GLU A 32 -15.650 2.191 -6.425 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -13.413 0.458 -7.543 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -13.927 0.533 -5.869 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -15.573 -0.489 -8.208 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -14.811 -1.468 -6.970 1.00 0.00 H new ATOM 494 N ASN A 33 -12.996 3.352 -7.954 1.00 0.00 N ATOM 495 CA ASN A 33 -11.918 4.331 -7.866 1.00 0.00 C ATOM 496 C ASN A 33 -12.472 5.753 -7.879 1.00 0.00 C ATOM 497 O ASN A 33 -11.892 6.662 -7.286 1.00 0.00 O ATOM 498 CB ASN A 33 -10.936 4.144 -9.024 1.00 0.00 C ATOM 499 CG ASN A 33 -9.493 4.108 -8.558 1.00 0.00 C ATOM 500 OD1 ASN A 33 -8.929 5.131 -8.167 1.00 0.00 O ATOM 501 ND2 ASN A 33 -8.888 2.927 -8.596 1.00 0.00 N ATOM 0 H ASN A 33 -13.110 2.932 -8.876 1.00 0.00 H new ATOM 0 HA ASN A 33 -11.393 4.173 -6.924 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -11.169 3.217 -9.548 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -11.064 4.956 -9.740 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -7.918 2.841 -8.294 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -9.394 2.105 -8.927 1.00 0.00 H new ATOM 508 N VAL A 34 -13.600 5.936 -8.558 1.00 0.00 N ATOM 509 CA VAL A 34 -14.234 7.246 -8.647 1.00 0.00 C ATOM 510 C VAL A 34 -14.690 7.731 -7.275 1.00 0.00 C ATOM 511 O VAL A 34 -14.325 8.821 -6.836 1.00 0.00 O ATOM 512 CB VAL A 34 -15.445 7.220 -9.598 1.00 0.00 C ATOM 513 CG1 VAL A 34 -16.084 8.598 -9.688 1.00 0.00 C ATOM 514 CG2 VAL A 34 -15.029 6.726 -10.976 1.00 0.00 C ATOM 0 H VAL A 34 -14.093 5.194 -9.054 1.00 0.00 H new ATOM 0 HA VAL A 34 -13.486 7.933 -9.042 1.00 0.00 H new ATOM 0 HB VAL A 34 -16.185 6.528 -9.196 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -16.938 8.560 -10.364 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -16.419 8.909 -8.698 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -15.354 9.314 -10.066 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -15.897 6.714 -11.635 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -14.270 7.392 -11.387 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -14.622 5.718 -10.894 1.00 0.00 H new ATOM 524 N LYS A 35 -15.490 6.912 -6.601 1.00 0.00 N ATOM 525 CA LYS A 35 -15.996 7.255 -5.277 1.00 0.00 C ATOM 526 C LYS A 35 -14.849 7.549 -4.315 1.00 0.00 C ATOM 527 O LYS A 35 -15.006 8.311 -3.362 1.00 0.00 O ATOM 528 CB LYS A 35 -16.857 6.115 -4.726 1.00 0.00 C ATOM 529 CG LYS A 35 -16.050 4.924 -4.240 1.00 0.00 C ATOM 530 CD LYS A 35 -15.854 4.961 -2.733 1.00 0.00 C ATOM 531 CE LYS A 35 -15.633 3.567 -2.165 1.00 0.00 C ATOM 532 NZ LYS A 35 -14.222 3.121 -2.325 1.00 0.00 N ATOM 0 H LYS A 35 -15.802 6.006 -6.950 1.00 0.00 H new ATOM 0 HA LYS A 35 -16.608 8.152 -5.371 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -17.462 6.493 -3.902 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -17.547 5.784 -5.502 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -16.558 4.001 -4.519 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -15.078 4.915 -4.734 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -14.999 5.593 -2.492 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -16.727 5.413 -2.262 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -15.899 3.559 -1.108 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -16.296 2.861 -2.666 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -14.112 2.167 -1.926 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -13.976 3.104 -3.335 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -13.591 3.780 -1.826 1.00 0.00 H new ATOM 546 N ALA A 36 -13.695 6.942 -4.574 1.00 0.00 N ATOM 547 CA ALA A 36 -12.521 7.142 -3.734 1.00 0.00 C ATOM 548 C ALA A 36 -12.181 8.624 -3.610 1.00 0.00 C ATOM 549 O ALA A 36 -11.847 9.106 -2.528 1.00 0.00 O ATOM 550 CB ALA A 36 -11.335 6.371 -4.293 1.00 0.00 C ATOM 0 H ALA A 36 -13.549 6.308 -5.359 1.00 0.00 H new ATOM 0 HA ALA A 36 -12.749 6.764 -2.737 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -10.465 6.529 -3.656 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -11.574 5.308 -4.323 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -11.115 6.722 -5.301 1.00 0.00 H new ATOM 556 N LYS A 37 -12.268 9.341 -4.725 1.00 0.00 N ATOM 557 CA LYS A 37 -11.970 10.768 -4.742 1.00 0.00 C ATOM 558 C LYS A 37 -13.115 11.570 -4.131 1.00 0.00 C ATOM 559 O LYS A 37 -12.900 12.638 -3.557 1.00 0.00 O ATOM 560 CB LYS A 37 -11.712 11.239 -6.175 1.00 0.00 C ATOM 561 CG LYS A 37 -10.345 10.847 -6.707 1.00 0.00 C ATOM 562 CD LYS A 37 -10.393 9.517 -7.442 1.00 0.00 C ATOM 563 CE LYS A 37 -8.998 8.950 -7.660 1.00 0.00 C ATOM 564 NZ LYS A 37 -8.125 9.898 -8.407 1.00 0.00 N ATOM 0 H LYS A 37 -12.543 8.957 -5.629 1.00 0.00 H new ATOM 0 HA LYS A 37 -11.074 10.934 -4.144 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -12.480 10.824 -6.829 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -11.811 12.324 -6.215 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -9.979 11.623 -7.380 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -9.637 10.782 -5.881 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -10.991 8.806 -6.872 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -10.888 9.649 -8.404 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -8.544 8.721 -6.696 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -9.069 8.011 -8.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -7.302 9.387 -8.785 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -8.662 10.319 -9.192 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -7.801 10.650 -7.766 1.00 0.00 H new ATOM 578 N ILE A 38 -14.330 11.048 -4.256 1.00 0.00 N ATOM 579 CA ILE A 38 -15.507 11.714 -3.713 1.00 0.00 C ATOM 580 C ILE A 38 -15.441 11.794 -2.192 1.00 0.00 C ATOM 581 O ILE A 38 -15.968 12.727 -1.586 1.00 0.00 O ATOM 582 CB ILE A 38 -16.803 10.990 -4.123 1.00 0.00 C ATOM 583 CG1 ILE A 38 -16.944 10.973 -5.646 1.00 0.00 C ATOM 584 CG2 ILE A 38 -18.010 11.660 -3.481 1.00 0.00 C ATOM 585 CD1 ILE A 38 -17.088 12.350 -6.255 1.00 0.00 C ATOM 0 H ILE A 38 -14.525 10.165 -4.729 1.00 0.00 H new ATOM 0 HA ILE A 38 -15.518 12.722 -4.127 1.00 0.00 H new ATOM 0 HB ILE A 38 -16.753 9.960 -3.770 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -16.071 10.483 -6.078 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -17.813 10.373 -5.916 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -18.918 11.137 -3.780 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -17.912 11.625 -2.396 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -18.065 12.699 -3.807 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -17.183 12.261 -7.337 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -17.976 12.835 -5.851 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -16.208 12.947 -6.016 1.00 0.00 H new ATOM 597 N GLN A 39 -14.790 10.810 -1.581 1.00 0.00 N ATOM 598 CA GLN A 39 -14.654 10.769 -0.130 1.00 0.00 C ATOM 599 C GLN A 39 -14.051 12.067 0.397 1.00 0.00 C ATOM 600 O GLN A 39 -14.397 12.527 1.485 1.00 0.00 O ATOM 601 CB GLN A 39 -13.785 9.582 0.289 1.00 0.00 C ATOM 602 CG GLN A 39 -14.467 8.236 0.112 1.00 0.00 C ATOM 603 CD GLN A 39 -13.867 7.157 0.991 1.00 0.00 C ATOM 604 OE1 GLN A 39 -13.279 6.193 0.498 1.00 0.00 O ATOM 605 NE2 GLN A 39 -14.011 7.312 2.302 1.00 0.00 N ATOM 0 H GLN A 39 -14.348 10.030 -2.068 1.00 0.00 H new ATOM 0 HA GLN A 39 -15.649 10.651 0.300 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -12.864 9.593 -0.294 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -13.501 9.701 1.335 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -15.528 8.338 0.341 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -14.394 7.931 -0.932 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -14.505 8.126 2.668 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -13.627 6.617 2.943 1.00 0.00 H new ATOM 614 N ASP A 40 -13.148 12.653 -0.382 1.00 0.00 N ATOM 615 CA ASP A 40 -12.497 13.899 0.006 1.00 0.00 C ATOM 616 C ASP A 40 -13.424 15.089 -0.219 1.00 0.00 C ATOM 617 O ASP A 40 -13.268 16.138 0.407 1.00 0.00 O ATOM 618 CB ASP A 40 -11.201 14.089 -0.784 1.00 0.00 C ATOM 619 CG ASP A 40 -10.304 15.151 -0.178 1.00 0.00 C ATOM 620 OD1 ASP A 40 -9.741 14.903 0.909 1.00 0.00 O ATOM 621 OD2 ASP A 40 -10.165 16.230 -0.791 1.00 0.00 O ATOM 0 H ASP A 40 -12.850 12.285 -1.286 1.00 0.00 H new ATOM 0 HA ASP A 40 -12.261 13.842 1.069 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -10.662 13.143 -0.825 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -11.442 14.364 -1.811 1.00 0.00 H new ATOM 626 N LYS A 41 -14.388 14.920 -1.117 1.00 0.00 N ATOM 627 CA LYS A 41 -15.342 15.979 -1.425 1.00 0.00 C ATOM 628 C LYS A 41 -16.451 16.034 -0.380 1.00 0.00 C ATOM 629 O LYS A 41 -16.745 17.094 0.172 1.00 0.00 O ATOM 630 CB LYS A 41 -15.945 15.762 -2.814 1.00 0.00 C ATOM 631 CG LYS A 41 -14.927 15.345 -3.861 1.00 0.00 C ATOM 632 CD LYS A 41 -13.922 16.451 -4.134 1.00 0.00 C ATOM 633 CE LYS A 41 -12.674 16.293 -3.280 1.00 0.00 C ATOM 634 NZ LYS A 41 -11.579 17.199 -3.725 1.00 0.00 N ATOM 0 H LYS A 41 -14.530 14.059 -1.645 1.00 0.00 H new ATOM 0 HA LYS A 41 -14.808 16.929 -1.412 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -16.720 14.999 -2.749 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -16.431 16.683 -3.138 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -14.403 14.451 -3.524 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -15.441 15.083 -4.786 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -13.646 16.441 -5.188 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -14.381 17.419 -3.934 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -12.918 16.502 -2.238 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -12.331 15.259 -3.326 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -10.746 17.061 -3.118 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -11.328 16.983 -4.711 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -11.897 18.187 -3.657 1.00 0.00 H new ATOM 648 N GLU A 42 -17.063 14.884 -0.112 1.00 0.00 N ATOM 649 CA GLU A 42 -18.140 14.803 0.868 1.00 0.00 C ATOM 650 C GLU A 42 -17.804 13.795 1.963 1.00 0.00 C ATOM 651 O GLU A 42 -18.153 13.987 3.127 1.00 0.00 O ATOM 652 CB GLU A 42 -19.452 14.411 0.185 1.00 0.00 C ATOM 653 CG GLU A 42 -20.035 15.509 -0.689 1.00 0.00 C ATOM 654 CD GLU A 42 -20.361 16.767 0.094 1.00 0.00 C ATOM 655 OE1 GLU A 42 -21.489 16.860 0.622 1.00 0.00 O ATOM 656 OE2 GLU A 42 -19.489 17.656 0.179 1.00 0.00 O ATOM 0 H GLU A 42 -16.832 13.997 -0.559 1.00 0.00 H new ATOM 0 HA GLU A 42 -18.256 15.786 1.325 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -19.283 13.524 -0.425 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -20.182 14.139 0.948 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -19.327 15.752 -1.481 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -20.940 15.141 -1.172 1.00 0.00 H new ATOM 663 N GLY A 43 -17.123 12.719 1.581 1.00 0.00 N ATOM 664 CA GLY A 43 -16.751 11.697 2.541 1.00 0.00 C ATOM 665 C GLY A 43 -17.923 10.822 2.940 1.00 0.00 C ATOM 666 O GLY A 43 -18.343 10.827 4.098 1.00 0.00 O ATOM 0 H GLY A 43 -16.822 12.537 0.623 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -15.964 11.074 2.117 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -16.337 12.172 3.430 1.00 0.00 H new ATOM 670 N ILE A 44 -18.453 10.072 1.981 1.00 0.00 N ATOM 671 CA ILE A 44 -19.584 9.189 2.239 1.00 0.00 C ATOM 672 C ILE A 44 -19.267 7.755 1.829 1.00 0.00 C ATOM 673 O ILE A 44 -18.458 7.503 0.936 1.00 0.00 O ATOM 674 CB ILE A 44 -20.846 9.658 1.490 1.00 0.00 C ATOM 675 CG1 ILE A 44 -20.520 9.939 0.022 1.00 0.00 C ATOM 676 CG2 ILE A 44 -21.427 10.897 2.156 1.00 0.00 C ATOM 677 CD1 ILE A 44 -21.723 10.354 -0.795 1.00 0.00 C ATOM 0 H ILE A 44 -18.118 10.058 1.018 1.00 0.00 H new ATOM 0 HA ILE A 44 -19.773 9.224 3.312 1.00 0.00 H new ATOM 0 HB ILE A 44 -21.591 8.864 1.531 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -19.767 10.725 -0.030 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -20.080 9.046 -0.422 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -22.318 11.217 1.616 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -21.692 10.665 3.188 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -20.688 11.698 2.142 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -21.418 10.537 -1.825 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -22.469 9.560 -0.773 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -22.151 11.265 -0.376 1.00 0.00 H new ATOM 689 N PRO A 45 -19.920 6.792 2.496 1.00 0.00 N ATOM 690 CA PRO A 45 -19.726 5.366 2.217 1.00 0.00 C ATOM 691 C PRO A 45 -20.301 4.956 0.865 1.00 0.00 C ATOM 692 O PRO A 45 -21.050 5.699 0.231 1.00 0.00 O ATOM 693 CB PRO A 45 -20.487 4.676 3.352 1.00 0.00 C ATOM 694 CG PRO A 45 -21.518 5.665 3.773 1.00 0.00 C ATOM 695 CD PRO A 45 -20.899 7.020 3.572 1.00 0.00 C ATOM 0 HA PRO A 45 -18.670 5.100 2.169 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -20.945 3.746 3.014 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -19.822 4.422 4.177 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -22.426 5.559 3.179 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -21.800 5.515 4.815 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -21.643 7.763 3.287 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -20.419 7.382 4.482 1.00 0.00 H new ATOM 703 N PRO A 46 -19.943 3.745 0.411 1.00 0.00 N ATOM 704 CA PRO A 46 -20.413 3.209 -0.870 1.00 0.00 C ATOM 705 C PRO A 46 -21.899 2.869 -0.846 1.00 0.00 C ATOM 706 O PRO A 46 -22.585 2.971 -1.863 1.00 0.00 O ATOM 707 CB PRO A 46 -19.576 1.940 -1.051 1.00 0.00 C ATOM 708 CG PRO A 46 -19.203 1.531 0.332 1.00 0.00 C ATOM 709 CD PRO A 46 -19.053 2.807 1.114 1.00 0.00 C ATOM 0 HA PRO A 46 -20.300 3.930 -1.680 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -20.145 1.159 -1.555 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -18.692 2.132 -1.659 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -19.970 0.892 0.770 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -18.274 0.961 0.333 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -19.348 2.677 2.155 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -18.021 3.158 1.116 1.00 0.00 H new ATOM 717 N ASP A 47 -22.390 2.466 0.321 1.00 0.00 N ATOM 718 CA ASP A 47 -23.796 2.112 0.478 1.00 0.00 C ATOM 719 C ASP A 47 -24.688 3.337 0.300 1.00 0.00 C ATOM 720 O ASP A 47 -25.865 3.215 -0.036 1.00 0.00 O ATOM 721 CB ASP A 47 -24.036 1.486 1.852 1.00 0.00 C ATOM 722 CG ASP A 47 -23.726 0.003 1.875 1.00 0.00 C ATOM 723 OD1 ASP A 47 -23.940 -0.664 0.842 1.00 0.00 O ATOM 724 OD2 ASP A 47 -23.269 -0.492 2.927 1.00 0.00 O ATOM 0 H ASP A 47 -21.835 2.376 1.172 1.00 0.00 H new ATOM 0 HA ASP A 47 -24.050 1.385 -0.293 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -23.419 1.995 2.592 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -25.075 1.641 2.142 1.00 0.00 H new ATOM 729 N GLN A 48 -24.118 4.516 0.528 1.00 0.00 N ATOM 730 CA GLN A 48 -24.862 5.762 0.395 1.00 0.00 C ATOM 731 C GLN A 48 -24.449 6.510 -0.869 1.00 0.00 C ATOM 732 O GLN A 48 -25.217 7.308 -1.407 1.00 0.00 O ATOM 733 CB GLN A 48 -24.639 6.648 1.622 1.00 0.00 C ATOM 734 CG GLN A 48 -25.508 6.271 2.811 1.00 0.00 C ATOM 735 CD GLN A 48 -25.060 4.985 3.476 1.00 0.00 C ATOM 736 OE1 GLN A 48 -25.310 3.890 2.969 1.00 0.00 O ATOM 737 NE2 GLN A 48 -24.395 5.109 4.618 1.00 0.00 N ATOM 0 H GLN A 48 -23.144 4.634 0.806 1.00 0.00 H new ATOM 0 HA GLN A 48 -25.922 5.517 0.321 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -23.591 6.590 1.916 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -24.838 7.685 1.352 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -25.488 7.080 3.542 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -26.542 6.164 2.482 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -24.210 6.036 5.002 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -24.069 4.278 5.111 1.00 0.00 H new ATOM 746 N GLN A 49 -23.233 6.247 -1.336 1.00 0.00 N ATOM 747 CA GLN A 49 -22.719 6.896 -2.536 1.00 0.00 C ATOM 748 C GLN A 49 -22.938 6.020 -3.765 1.00 0.00 C ATOM 749 O GLN A 49 -22.424 4.904 -3.843 1.00 0.00 O ATOM 750 CB GLN A 49 -21.230 7.207 -2.375 1.00 0.00 C ATOM 751 CG GLN A 49 -20.774 8.423 -3.164 1.00 0.00 C ATOM 752 CD GLN A 49 -20.503 8.105 -4.621 1.00 0.00 C ATOM 753 OE1 GLN A 49 -20.425 6.939 -5.010 1.00 0.00 O ATOM 754 NE2 GLN A 49 -20.357 9.143 -5.437 1.00 0.00 N ATOM 0 H GLN A 49 -22.586 5.589 -0.902 1.00 0.00 H new ATOM 0 HA GLN A 49 -23.265 7.829 -2.676 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -21.013 7.367 -1.319 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -20.650 6.340 -2.692 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -21.537 9.199 -3.101 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -19.869 8.828 -2.710 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -20.429 10.093 -5.072 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -20.172 8.990 -6.428 1.00 0.00 H new ATOM 763 N ARG A 50 -23.704 6.533 -4.722 1.00 0.00 N ATOM 764 CA ARG A 50 -23.991 5.797 -5.947 1.00 0.00 C ATOM 765 C ARG A 50 -23.848 6.698 -7.170 1.00 0.00 C ATOM 766 O ARG A 50 -24.320 7.836 -7.174 1.00 0.00 O ATOM 767 CB ARG A 50 -25.403 5.210 -5.895 1.00 0.00 C ATOM 768 CG ARG A 50 -25.618 4.242 -4.743 1.00 0.00 C ATOM 769 CD ARG A 50 -26.777 3.297 -5.019 1.00 0.00 C ATOM 770 NE ARG A 50 -28.047 3.831 -4.535 1.00 0.00 N ATOM 771 CZ ARG A 50 -29.178 3.134 -4.515 1.00 0.00 C ATOM 772 NH1 ARG A 50 -29.196 1.882 -4.950 1.00 0.00 N ATOM 773 NH2 ARG A 50 -30.293 3.690 -4.059 1.00 0.00 N ATOM 0 H ARG A 50 -24.137 7.455 -4.673 1.00 0.00 H new ATOM 0 HA ARG A 50 -23.269 4.984 -6.030 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -26.123 6.024 -5.813 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -25.608 4.696 -6.834 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -24.708 3.665 -4.576 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -25.813 4.801 -3.828 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -26.847 3.112 -6.091 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -26.583 2.336 -4.542 1.00 0.00 H new ATOM 0 HE ARG A 50 -28.067 4.792 -4.193 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -28.340 1.452 -5.301 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -30.065 1.349 -4.934 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -30.282 4.653 -3.723 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -31.161 3.154 -4.044 1.00 0.00 H new ATOM 787 N LEU A 51 -23.195 6.183 -8.205 1.00 0.00 N ATOM 788 CA LEU A 51 -22.989 6.941 -9.435 1.00 0.00 C ATOM 789 C LEU A 51 -24.074 6.623 -10.459 1.00 0.00 C ATOM 790 O LEU A 51 -24.480 5.470 -10.609 1.00 0.00 O ATOM 791 CB LEU A 51 -21.611 6.633 -10.022 1.00 0.00 C ATOM 792 CG LEU A 51 -20.430 7.367 -9.386 1.00 0.00 C ATOM 793 CD1 LEU A 51 -20.621 8.873 -9.487 1.00 0.00 C ATOM 794 CD2 LEU A 51 -20.261 6.946 -7.933 1.00 0.00 C ATOM 0 H LEU A 51 -22.799 5.243 -8.218 1.00 0.00 H new ATOM 0 HA LEU A 51 -23.045 8.002 -9.192 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -21.434 5.561 -9.938 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -21.630 6.871 -11.086 1.00 0.00 H new ATOM 0 HG LEU A 51 -19.524 7.098 -9.930 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -19.771 9.379 -9.029 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -20.693 9.161 -10.536 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -21.536 9.159 -8.968 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -19.416 7.478 -7.496 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -21.167 7.185 -7.377 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -20.078 5.873 -7.884 1.00 0.00 H new ATOM 806 N ILE A 52 -24.537 7.651 -11.161 1.00 0.00 N ATOM 807 CA ILE A 52 -25.572 7.480 -12.173 1.00 0.00 C ATOM 808 C ILE A 52 -25.078 7.927 -13.545 1.00 0.00 C ATOM 809 O ILE A 52 -24.363 8.922 -13.666 1.00 0.00 O ATOM 810 CB ILE A 52 -26.845 8.270 -11.816 1.00 0.00 C ATOM 811 CG1 ILE A 52 -27.232 8.022 -10.356 1.00 0.00 C ATOM 812 CG2 ILE A 52 -27.986 7.884 -12.745 1.00 0.00 C ATOM 813 CD1 ILE A 52 -27.534 6.572 -10.049 1.00 0.00 C ATOM 0 H ILE A 52 -24.212 8.611 -11.048 1.00 0.00 H new ATOM 0 HA ILE A 52 -25.811 6.417 -12.204 1.00 0.00 H new ATOM 0 HB ILE A 52 -26.643 9.334 -11.943 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -26.421 8.360 -9.711 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -28.106 8.626 -10.113 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -28.879 8.451 -12.480 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -27.708 8.106 -13.775 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -28.191 6.818 -12.646 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -27.801 6.471 -8.997 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -28.365 6.234 -10.668 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -26.654 5.964 -10.260 1.00 0.00 H new ATOM 825 N PHE A 53 -25.467 7.186 -14.578 1.00 0.00 N ATOM 826 CA PHE A 53 -25.065 7.506 -15.943 1.00 0.00 C ATOM 827 C PHE A 53 -26.209 7.253 -16.920 1.00 0.00 C ATOM 828 O PHE A 53 -26.674 6.124 -17.069 1.00 0.00 O ATOM 829 CB PHE A 53 -23.843 6.678 -16.345 1.00 0.00 C ATOM 830 CG PHE A 53 -23.207 7.130 -17.628 1.00 0.00 C ATOM 831 CD1 PHE A 53 -22.350 8.219 -17.646 1.00 0.00 C ATOM 832 CD2 PHE A 53 -23.467 6.467 -18.817 1.00 0.00 C ATOM 833 CE1 PHE A 53 -21.765 8.638 -18.826 1.00 0.00 C ATOM 834 CE2 PHE A 53 -22.884 6.881 -20.000 1.00 0.00 C ATOM 835 CZ PHE A 53 -22.031 7.968 -20.004 1.00 0.00 C ATOM 0 H PHE A 53 -26.060 6.360 -14.496 1.00 0.00 H new ATOM 0 HA PHE A 53 -24.806 8.564 -15.980 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -23.103 6.726 -15.546 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -24.139 5.634 -16.444 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -22.137 8.746 -16.728 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -24.133 5.617 -18.819 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -21.100 9.489 -18.827 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -23.095 6.356 -20.920 1.00 0.00 H new ATOM 0 HZ PHE A 53 -21.573 8.293 -20.927 1.00 0.00 H new ATOM 845 N ALA A 54 -26.657 8.314 -17.584 1.00 0.00 N ATOM 846 CA ALA A 54 -27.745 8.207 -18.548 1.00 0.00 C ATOM 847 C ALA A 54 -28.992 7.609 -17.905 1.00 0.00 C ATOM 848 O ALA A 54 -29.771 6.919 -18.562 1.00 0.00 O ATOM 849 CB ALA A 54 -27.312 7.370 -19.743 1.00 0.00 C ATOM 0 H ALA A 54 -26.283 9.256 -17.472 1.00 0.00 H new ATOM 0 HA ALA A 54 -27.992 9.211 -18.892 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -28.135 7.299 -20.455 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -26.455 7.840 -20.225 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -27.036 6.371 -19.406 1.00 0.00 H new ATOM 855 N GLY A 55 -29.174 7.878 -16.616 1.00 0.00 N ATOM 856 CA GLY A 55 -30.328 7.358 -15.906 1.00 0.00 C ATOM 857 C GLY A 55 -30.093 5.963 -15.362 1.00 0.00 C ATOM 858 O GLY A 55 -30.912 5.436 -14.608 1.00 0.00 O ATOM 0 H GLY A 55 -28.543 8.446 -16.051 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -30.577 8.028 -15.083 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -31.187 7.343 -16.577 1.00 0.00 H new ATOM 862 N LYS A 56 -28.973 5.361 -15.745 1.00 0.00 N ATOM 863 CA LYS A 56 -28.631 4.018 -15.292 1.00 0.00 C ATOM 864 C LYS A 56 -27.498 4.059 -14.272 1.00 0.00 C ATOM 865 O LYS A 56 -26.432 4.613 -14.538 1.00 0.00 O ATOM 866 CB LYS A 56 -28.229 3.143 -16.481 1.00 0.00 C ATOM 867 CG LYS A 56 -28.065 1.674 -16.128 1.00 0.00 C ATOM 868 CD LYS A 56 -29.373 0.915 -16.278 1.00 0.00 C ATOM 869 CE LYS A 56 -29.705 0.660 -17.740 1.00 0.00 C ATOM 870 NZ LYS A 56 -28.683 -0.199 -18.399 1.00 0.00 N ATOM 0 H LYS A 56 -28.285 5.783 -16.369 1.00 0.00 H new ATOM 0 HA LYS A 56 -29.511 3.589 -14.814 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -28.983 3.238 -17.263 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -27.292 3.515 -16.895 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -27.308 1.227 -16.772 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -27.706 1.583 -15.103 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -29.306 -0.035 -15.748 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -30.180 1.483 -15.814 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -30.682 0.183 -17.813 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -29.775 1.611 -18.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -29.155 -0.979 -18.898 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -28.139 0.369 -19.080 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -28.040 -0.587 -17.680 1.00 0.00 H new ATOM 884 N GLN A 57 -27.737 3.469 -13.105 1.00 0.00 N ATOM 885 CA GLN A 57 -26.735 3.438 -12.046 1.00 0.00 C ATOM 886 C GLN A 57 -25.474 2.717 -12.510 1.00 0.00 C ATOM 887 O GLN A 57 -25.516 1.903 -13.433 1.00 0.00 O ATOM 888 CB GLN A 57 -27.299 2.753 -10.801 1.00 0.00 C ATOM 889 CG GLN A 57 -27.961 1.415 -11.090 1.00 0.00 C ATOM 890 CD GLN A 57 -29.469 1.521 -11.197 1.00 0.00 C ATOM 891 OE1 GLN A 57 -30.063 1.112 -12.195 1.00 0.00 O ATOM 892 NE2 GLN A 57 -30.099 2.072 -10.166 1.00 0.00 N ATOM 0 H GLN A 57 -28.615 3.006 -12.869 1.00 0.00 H new ATOM 0 HA GLN A 57 -26.473 4.467 -11.799 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -26.493 2.603 -10.083 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -28.026 3.415 -10.330 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -27.562 1.010 -12.020 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -27.705 0.709 -10.300 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -29.568 2.398 -9.359 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -31.114 2.170 -10.182 1.00 0.00 H new ATOM 901 N LEU A 58 -24.353 3.022 -11.866 1.00 0.00 N ATOM 902 CA LEU A 58 -23.078 2.403 -12.212 1.00 0.00 C ATOM 903 C LEU A 58 -22.590 1.495 -11.088 1.00 0.00 C ATOM 904 O LEU A 58 -22.860 1.745 -9.914 1.00 0.00 O ATOM 905 CB LEU A 58 -22.030 3.478 -12.506 1.00 0.00 C ATOM 906 CG LEU A 58 -22.475 4.614 -13.428 1.00 0.00 C ATOM 907 CD1 LEU A 58 -21.462 5.749 -13.403 1.00 0.00 C ATOM 908 CD2 LEU A 58 -22.672 4.104 -14.848 1.00 0.00 C ATOM 0 H LEU A 58 -24.301 3.695 -11.101 1.00 0.00 H new ATOM 0 HA LEU A 58 -23.228 1.796 -13.105 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -21.707 3.911 -11.559 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -21.159 2.996 -12.950 1.00 0.00 H new ATOM 0 HG LEU A 58 -23.429 4.997 -13.066 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -21.795 6.549 -14.065 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -21.371 6.133 -12.387 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -20.493 5.380 -13.739 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -22.989 4.927 -15.489 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -21.733 3.694 -15.221 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -23.435 3.326 -14.853 1.00 0.00 H new ATOM 920 N GLU A 59 -21.870 0.440 -11.457 1.00 0.00 N ATOM 921 CA GLU A 59 -21.343 -0.504 -10.479 1.00 0.00 C ATOM 922 C GLU A 59 -19.916 -0.915 -10.833 1.00 0.00 C ATOM 923 O GLU A 59 -19.417 -0.598 -11.912 1.00 0.00 O ATOM 924 CB GLU A 59 -22.237 -1.743 -10.400 1.00 0.00 C ATOM 925 CG GLU A 59 -22.497 -2.393 -11.749 1.00 0.00 C ATOM 926 CD GLU A 59 -23.590 -3.443 -11.690 1.00 0.00 C ATOM 927 OE1 GLU A 59 -24.608 -3.202 -11.009 1.00 0.00 O ATOM 928 OE2 GLU A 59 -23.426 -4.505 -12.327 1.00 0.00 O ATOM 0 H GLU A 59 -21.639 0.218 -12.425 1.00 0.00 H new ATOM 0 HA GLU A 59 -21.330 -0.011 -9.507 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -21.773 -2.474 -9.737 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -23.190 -1.465 -9.950 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -22.775 -1.625 -12.471 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -21.577 -2.852 -12.110 1.00 0.00 H new ATOM 935 N ASP A 60 -19.266 -1.622 -9.915 1.00 0.00 N ATOM 936 CA ASP A 60 -17.897 -2.077 -10.129 1.00 0.00 C ATOM 937 C ASP A 60 -17.826 -3.057 -11.296 1.00 0.00 C ATOM 938 O ASP A 60 -18.797 -3.235 -12.029 1.00 0.00 O ATOM 939 CB ASP A 60 -17.352 -2.735 -8.860 1.00 0.00 C ATOM 940 CG ASP A 60 -17.811 -4.172 -8.710 1.00 0.00 C ATOM 941 OD1 ASP A 60 -19.035 -4.397 -8.617 1.00 0.00 O ATOM 942 OD2 ASP A 60 -16.945 -5.071 -8.688 1.00 0.00 O ATOM 0 H ASP A 60 -19.665 -1.892 -9.016 1.00 0.00 H new ATOM 0 HA ASP A 60 -17.285 -1.208 -10.370 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -16.263 -2.705 -8.878 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -17.673 -2.162 -7.990 1.00 0.00 H new ATOM 947 N GLY A 61 -16.668 -3.689 -11.462 1.00 0.00 N ATOM 948 CA GLY A 61 -16.491 -4.642 -12.542 1.00 0.00 C ATOM 949 C GLY A 61 -16.051 -3.980 -13.833 1.00 0.00 C ATOM 950 O GLY A 61 -15.074 -4.400 -14.452 1.00 0.00 O ATOM 0 H GLY A 61 -15.849 -3.558 -10.868 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -15.751 -5.386 -12.248 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -17.428 -5.173 -12.711 1.00 0.00 H new ATOM 954 N ARG A 62 -16.774 -2.942 -14.240 1.00 0.00 N ATOM 955 CA ARG A 62 -16.455 -2.223 -15.468 1.00 0.00 C ATOM 956 C ARG A 62 -15.611 -0.987 -15.169 1.00 0.00 C ATOM 957 O ARG A 62 -15.464 -0.586 -14.014 1.00 0.00 O ATOM 958 CB ARG A 62 -17.738 -1.815 -16.194 1.00 0.00 C ATOM 959 CG ARG A 62 -18.286 -2.893 -17.114 1.00 0.00 C ATOM 960 CD ARG A 62 -18.784 -4.096 -16.329 1.00 0.00 C ATOM 961 NE ARG A 62 -19.758 -4.878 -17.084 1.00 0.00 N ATOM 962 CZ ARG A 62 -20.256 -6.036 -16.664 1.00 0.00 C ATOM 963 NH1 ARG A 62 -19.873 -6.543 -15.501 1.00 0.00 N ATOM 964 NH2 ARG A 62 -21.139 -6.689 -17.409 1.00 0.00 N ATOM 0 H ARG A 62 -17.585 -2.580 -13.738 1.00 0.00 H new ATOM 0 HA ARG A 62 -15.879 -2.889 -16.111 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -18.498 -1.559 -15.455 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -17.545 -0.915 -16.778 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -19.101 -2.484 -17.710 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -17.509 -3.208 -17.810 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -17.938 -4.730 -16.063 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -19.235 -3.758 -15.396 1.00 0.00 H new ATOM 0 HE ARG A 62 -20.074 -4.516 -17.984 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -19.194 -6.044 -14.926 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -20.257 -7.432 -15.181 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -21.436 -6.302 -18.305 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -21.521 -7.578 -17.086 1.00 0.00 H new ATOM 978 N THR A 63 -15.058 -0.386 -16.219 1.00 0.00 N ATOM 979 CA THR A 63 -14.228 0.802 -16.069 1.00 0.00 C ATOM 980 C THR A 63 -14.938 2.039 -16.608 1.00 0.00 C ATOM 981 O THR A 63 -15.901 1.934 -17.369 1.00 0.00 O ATOM 982 CB THR A 63 -12.880 0.641 -16.796 1.00 0.00 C ATOM 983 OG1 THR A 63 -12.235 1.913 -16.920 1.00 0.00 O ATOM 984 CG2 THR A 63 -13.078 0.030 -18.175 1.00 0.00 C ATOM 0 H THR A 63 -15.171 -0.703 -17.182 1.00 0.00 H new ATOM 0 HA THR A 63 -14.044 0.927 -15.002 1.00 0.00 H new ATOM 0 HB THR A 63 -12.253 -0.028 -16.207 1.00 0.00 H new ATOM 0 HG1 THR A 63 -12.127 2.313 -16.032 1.00 0.00 H new ATOM 0 HG21 THR A 63 -12.112 -0.074 -18.669 1.00 0.00 H new ATOM 0 HG22 THR A 63 -13.542 -0.951 -18.075 1.00 0.00 H new ATOM 0 HG23 THR A 63 -13.722 0.677 -18.770 1.00 0.00 H new ATOM 992 N LEU A 64 -14.457 3.212 -16.210 1.00 0.00 N ATOM 993 CA LEU A 64 -15.045 4.471 -16.654 1.00 0.00 C ATOM 994 C LEU A 64 -15.156 4.514 -18.175 1.00 0.00 C ATOM 995 O LEU A 64 -16.145 5.001 -18.722 1.00 0.00 O ATOM 996 CB LEU A 64 -14.207 5.651 -16.159 1.00 0.00 C ATOM 997 CG LEU A 64 -14.384 6.030 -14.689 1.00 0.00 C ATOM 998 CD1 LEU A 64 -15.849 6.303 -14.381 1.00 0.00 C ATOM 999 CD2 LEU A 64 -13.843 4.931 -13.785 1.00 0.00 C ATOM 0 H LEU A 64 -13.661 3.317 -15.581 1.00 0.00 H new ATOM 0 HA LEU A 64 -16.048 4.543 -16.233 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -13.155 5.421 -16.330 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -14.446 6.522 -16.769 1.00 0.00 H new ATOM 0 HG LEU A 64 -13.817 6.941 -14.498 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -15.956 6.571 -13.330 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -16.205 7.124 -15.003 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -16.437 5.409 -14.589 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -13.978 5.218 -12.742 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -14.381 4.003 -13.978 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -12.782 4.783 -13.987 1.00 0.00 H new ATOM 1011 N SER A 65 -14.135 3.998 -18.852 1.00 0.00 N ATOM 1012 CA SER A 65 -14.117 3.979 -20.310 1.00 0.00 C ATOM 1013 C SER A 65 -15.217 3.073 -20.856 1.00 0.00 C ATOM 1014 O SER A 65 -15.746 3.307 -21.942 1.00 0.00 O ATOM 1015 CB SER A 65 -12.754 3.507 -20.819 1.00 0.00 C ATOM 1016 OG SER A 65 -12.749 3.387 -22.231 1.00 0.00 O ATOM 0 H SER A 65 -13.310 3.588 -18.414 1.00 0.00 H new ATOM 0 HA SER A 65 -14.297 4.994 -20.663 1.00 0.00 H new ATOM 0 HB2 SER A 65 -11.983 4.212 -20.508 1.00 0.00 H new ATOM 0 HB3 SER A 65 -12.507 2.546 -20.369 1.00 0.00 H new ATOM 0 HG SER A 65 -11.866 3.085 -22.531 1.00 0.00 H new ATOM 1022 N GLU A 66 -15.556 2.039 -20.092 1.00 0.00 N ATOM 1023 CA GLU A 66 -16.593 1.098 -20.499 1.00 0.00 C ATOM 1024 C GLU A 66 -17.980 1.712 -20.337 1.00 0.00 C ATOM 1025 O GLU A 66 -18.925 1.329 -21.028 1.00 0.00 O ATOM 1026 CB GLU A 66 -16.494 -0.190 -19.677 1.00 0.00 C ATOM 1027 CG GLU A 66 -15.436 -1.155 -20.184 1.00 0.00 C ATOM 1028 CD GLU A 66 -15.919 -1.988 -21.356 1.00 0.00 C ATOM 1029 OE1 GLU A 66 -17.087 -1.815 -21.764 1.00 0.00 O ATOM 1030 OE2 GLU A 66 -15.130 -2.812 -21.864 1.00 0.00 O ATOM 0 H GLU A 66 -15.128 1.832 -19.189 1.00 0.00 H new ATOM 0 HA GLU A 66 -16.441 0.862 -21.552 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -16.273 0.066 -18.641 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -17.463 -0.690 -19.683 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -14.551 -0.593 -20.483 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -15.135 -1.817 -19.372 1.00 0.00 H new ATOM 1037 N TYR A 67 -18.094 2.666 -19.420 1.00 0.00 N ATOM 1038 CA TYR A 67 -19.366 3.332 -19.165 1.00 0.00 C ATOM 1039 C TYR A 67 -19.511 4.581 -20.030 1.00 0.00 C ATOM 1040 O TYR A 67 -20.395 5.406 -19.806 1.00 0.00 O ATOM 1041 CB TYR A 67 -19.482 3.707 -17.686 1.00 0.00 C ATOM 1042 CG TYR A 67 -19.925 2.562 -16.804 1.00 0.00 C ATOM 1043 CD1 TYR A 67 -21.076 1.840 -17.096 1.00 0.00 C ATOM 1044 CD2 TYR A 67 -19.193 2.202 -15.679 1.00 0.00 C ATOM 1045 CE1 TYR A 67 -21.485 0.793 -16.293 1.00 0.00 C ATOM 1046 CE2 TYR A 67 -19.594 1.156 -14.871 1.00 0.00 C ATOM 1047 CZ TYR A 67 -20.741 0.454 -15.182 1.00 0.00 C ATOM 1048 OH TYR A 67 -21.144 -0.588 -14.378 1.00 0.00 O ATOM 0 H TYR A 67 -17.322 2.996 -18.841 1.00 0.00 H new ATOM 0 HA TYR A 67 -20.167 2.639 -19.422 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -18.517 4.072 -17.336 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -20.190 4.529 -17.583 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -21.661 2.102 -17.965 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -18.295 2.749 -15.432 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -22.383 0.243 -16.534 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -19.013 0.889 -14.001 1.00 0.00 H new ATOM 0 HH TYR A 67 -20.492 -0.717 -13.658 1.00 0.00 H new ATOM 1058 N ASN A 68 -18.634 4.711 -21.021 1.00 0.00 N ATOM 1059 CA ASN A 68 -18.663 5.858 -21.921 1.00 0.00 C ATOM 1060 C ASN A 68 -18.453 7.158 -21.151 1.00 0.00 C ATOM 1061 O ASN A 68 -18.831 8.234 -21.617 1.00 0.00 O ATOM 1062 CB ASN A 68 -19.993 5.907 -22.675 1.00 0.00 C ATOM 1063 CG ASN A 68 -19.929 5.186 -24.008 1.00 0.00 C ATOM 1064 OD1 ASN A 68 -19.749 3.969 -24.060 1.00 0.00 O ATOM 1065 ND2 ASN A 68 -20.076 5.936 -25.094 1.00 0.00 N ATOM 0 H ASN A 68 -17.895 4.037 -21.221 1.00 0.00 H new ATOM 0 HA ASN A 68 -17.850 5.747 -22.639 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -20.773 5.459 -22.060 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -20.276 6.947 -22.841 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -20.042 5.507 -26.019 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -20.223 6.941 -25.003 1.00 0.00 H new ATOM 1072 N ILE A 69 -17.849 7.051 -19.973 1.00 0.00 N ATOM 1073 CA ILE A 69 -17.588 8.219 -19.140 1.00 0.00 C ATOM 1074 C ILE A 69 -16.278 8.892 -19.533 1.00 0.00 C ATOM 1075 O ILE A 69 -15.200 8.457 -19.130 1.00 0.00 O ATOM 1076 CB ILE A 69 -17.532 7.844 -17.647 1.00 0.00 C ATOM 1077 CG1 ILE A 69 -18.856 7.217 -17.206 1.00 0.00 C ATOM 1078 CG2 ILE A 69 -17.214 9.071 -16.805 1.00 0.00 C ATOM 1079 CD1 ILE A 69 -18.732 6.346 -15.976 1.00 0.00 C ATOM 0 H ILE A 69 -17.531 6.168 -19.573 1.00 0.00 H new ATOM 0 HA ILE A 69 -18.413 8.913 -19.301 1.00 0.00 H new ATOM 0 HB ILE A 69 -16.739 7.111 -17.501 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -19.576 8.011 -17.008 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -19.257 6.620 -18.025 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -17.178 8.790 -15.752 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -16.249 9.478 -17.105 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -17.988 9.824 -16.953 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -19.709 5.935 -15.721 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -18.036 5.531 -16.176 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -18.361 6.943 -15.143 1.00 0.00 H new ATOM 1091 N GLN A 70 -16.380 9.958 -20.321 1.00 0.00 N ATOM 1092 CA GLN A 70 -15.202 10.693 -20.768 1.00 0.00 C ATOM 1093 C GLN A 70 -14.867 11.823 -19.801 1.00 0.00 C ATOM 1094 O GLN A 70 -15.423 11.904 -18.705 1.00 0.00 O ATOM 1095 CB GLN A 70 -15.429 11.257 -22.171 1.00 0.00 C ATOM 1096 CG GLN A 70 -15.989 10.240 -23.153 1.00 0.00 C ATOM 1097 CD GLN A 70 -15.842 10.679 -24.596 1.00 0.00 C ATOM 1098 OE1 GLN A 70 -15.073 11.590 -24.904 1.00 0.00 O ATOM 1099 NE2 GLN A 70 -16.580 10.032 -25.490 1.00 0.00 N ATOM 0 H GLN A 70 -17.265 10.332 -20.663 1.00 0.00 H new ATOM 0 HA GLN A 70 -14.361 10.000 -20.794 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -16.114 12.103 -22.107 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -14.484 11.640 -22.557 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -15.479 9.287 -23.014 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -17.043 10.072 -22.934 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -17.204 9.283 -25.190 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -16.523 10.284 -26.477 1.00 0.00 H new ATOM 1108 N LYS A 71 -13.953 12.695 -20.212 1.00 0.00 N ATOM 1109 CA LYS A 71 -13.543 13.823 -19.383 1.00 0.00 C ATOM 1110 C LYS A 71 -14.614 14.909 -19.373 1.00 0.00 C ATOM 1111 O LYS A 71 -14.507 15.891 -18.640 1.00 0.00 O ATOM 1112 CB LYS A 71 -12.220 14.402 -19.892 1.00 0.00 C ATOM 1113 CG LYS A 71 -12.344 15.124 -21.222 1.00 0.00 C ATOM 1114 CD LYS A 71 -11.010 15.193 -21.945 1.00 0.00 C ATOM 1115 CE LYS A 71 -10.649 13.857 -22.578 1.00 0.00 C ATOM 1116 NZ LYS A 71 -9.428 13.956 -23.424 1.00 0.00 N ATOM 0 H LYS A 71 -13.481 12.642 -21.115 1.00 0.00 H new ATOM 0 HA LYS A 71 -13.407 13.462 -18.364 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -11.826 15.094 -19.148 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -11.495 13.595 -19.993 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -13.073 14.611 -21.849 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -12.721 16.133 -21.056 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -11.052 15.962 -22.716 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -10.229 15.487 -21.243 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -10.489 13.116 -21.795 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -11.484 13.505 -23.185 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -9.215 13.026 -23.837 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -9.589 14.645 -24.187 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -8.625 14.267 -22.840 1.00 0.00 H new ATOM 1130 N GLU A 72 -15.647 14.723 -20.190 1.00 0.00 N ATOM 1131 CA GLU A 72 -16.737 15.687 -20.272 1.00 0.00 C ATOM 1132 C GLU A 72 -18.079 15.017 -19.990 1.00 0.00 C ATOM 1133 O GLU A 72 -19.127 15.495 -20.423 1.00 0.00 O ATOM 1134 CB GLU A 72 -16.764 16.344 -21.654 1.00 0.00 C ATOM 1135 CG GLU A 72 -16.618 15.356 -22.800 1.00 0.00 C ATOM 1136 CD GLU A 72 -16.651 16.029 -24.158 1.00 0.00 C ATOM 1137 OE1 GLU A 72 -16.093 17.139 -24.285 1.00 0.00 O ATOM 1138 OE2 GLU A 72 -17.234 15.445 -25.095 1.00 0.00 O ATOM 0 H GLU A 72 -15.751 13.915 -20.803 1.00 0.00 H new ATOM 0 HA GLU A 72 -16.567 16.454 -19.516 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -17.702 16.887 -21.771 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -15.961 17.078 -21.714 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -15.679 14.814 -22.690 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -17.420 14.619 -22.744 1.00 0.00 H new ATOM 1145 N SER A 73 -18.037 13.906 -19.261 1.00 0.00 N ATOM 1146 CA SER A 73 -19.247 13.167 -18.924 1.00 0.00 C ATOM 1147 C SER A 73 -19.932 13.773 -17.703 1.00 0.00 C ATOM 1148 O SER A 73 -19.281 14.363 -16.839 1.00 0.00 O ATOM 1149 CB SER A 73 -18.916 11.697 -18.660 1.00 0.00 C ATOM 1150 OG SER A 73 -18.943 11.409 -17.272 1.00 0.00 O ATOM 0 H SER A 73 -17.178 13.498 -18.893 1.00 0.00 H new ATOM 0 HA SER A 73 -19.930 13.232 -19.771 1.00 0.00 H new ATOM 0 HB2 SER A 73 -19.632 11.061 -19.181 1.00 0.00 H new ATOM 0 HB3 SER A 73 -17.930 11.465 -19.064 1.00 0.00 H new ATOM 0 HG SER A 73 -18.132 11.761 -16.849 1.00 0.00 H new ATOM 1156 N THR A 74 -21.251 13.624 -17.637 1.00 0.00 N ATOM 1157 CA THR A 74 -22.026 14.157 -16.523 1.00 0.00 C ATOM 1158 C THR A 74 -22.423 13.052 -15.551 1.00 0.00 C ATOM 1159 O THR A 74 -23.210 12.167 -15.889 1.00 0.00 O ATOM 1160 CB THR A 74 -23.297 14.873 -17.015 1.00 0.00 C ATOM 1161 OG1 THR A 74 -23.102 15.357 -18.349 1.00 0.00 O ATOM 1162 CG2 THR A 74 -23.655 16.033 -16.097 1.00 0.00 C ATOM 0 H THR A 74 -21.805 13.138 -18.342 1.00 0.00 H new ATOM 0 HA THR A 74 -21.388 14.877 -16.010 1.00 0.00 H new ATOM 0 HB THR A 74 -24.118 14.156 -17.005 1.00 0.00 H new ATOM 0 HG1 THR A 74 -23.916 15.810 -18.655 1.00 0.00 H new ATOM 0 HG21 THR A 74 -24.556 16.523 -16.465 1.00 0.00 H new ATOM 0 HG22 THR A 74 -23.832 15.658 -15.089 1.00 0.00 H new ATOM 0 HG23 THR A 74 -22.834 16.749 -16.079 1.00 0.00 H new ATOM 1170 N LEU A 75 -21.875 13.109 -14.342 1.00 0.00 N ATOM 1171 CA LEU A 75 -22.172 12.112 -13.319 1.00 0.00 C ATOM 1172 C LEU A 75 -23.104 12.685 -12.256 1.00 0.00 C ATOM 1173 O LEU A 75 -23.128 13.894 -12.023 1.00 0.00 O ATOM 1174 CB LEU A 75 -20.879 11.619 -12.669 1.00 0.00 C ATOM 1175 CG LEU A 75 -20.295 10.323 -13.234 1.00 0.00 C ATOM 1176 CD1 LEU A 75 -21.266 9.169 -13.036 1.00 0.00 C ATOM 1177 CD2 LEU A 75 -19.955 10.490 -14.707 1.00 0.00 C ATOM 0 H LEU A 75 -21.223 13.835 -14.046 1.00 0.00 H new ATOM 0 HA LEU A 75 -22.672 11.271 -13.799 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -20.128 12.403 -12.761 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -21.062 11.477 -11.604 1.00 0.00 H new ATOM 0 HG LEU A 75 -19.377 10.094 -12.693 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -20.834 8.255 -13.444 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -21.460 9.035 -11.972 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -22.202 9.389 -13.550 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -19.541 9.558 -15.093 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -20.858 10.743 -15.262 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -19.222 11.288 -14.823 1.00 0.00 H new ATOM 1189 N HIS A 76 -23.868 11.809 -11.612 1.00 0.00 N ATOM 1190 CA HIS A 76 -24.799 12.227 -10.570 1.00 0.00 C ATOM 1191 C HIS A 76 -24.698 11.314 -9.352 1.00 0.00 C ATOM 1192 O HIS A 76 -24.664 10.089 -9.482 1.00 0.00 O ATOM 1193 CB HIS A 76 -26.231 12.225 -11.106 1.00 0.00 C ATOM 1194 CG HIS A 76 -26.626 13.511 -11.765 1.00 0.00 C ATOM 1195 ND1 HIS A 76 -27.620 14.333 -11.278 1.00 0.00 N ATOM 1196 CD2 HIS A 76 -26.152 14.116 -12.880 1.00 0.00 C ATOM 1197 CE1 HIS A 76 -27.742 15.387 -12.065 1.00 0.00 C ATOM 1198 NE2 HIS A 76 -26.863 15.280 -13.044 1.00 0.00 N ATOM 0 H HIS A 76 -23.861 10.805 -11.793 1.00 0.00 H new ATOM 0 HA HIS A 76 -24.534 13.239 -10.265 1.00 0.00 H new ATOM 0 HB2 HIS A 76 -26.341 11.411 -11.822 1.00 0.00 H new ATOM 0 HB3 HIS A 76 -26.918 12.022 -10.284 1.00 0.00 H new ATOM 0 HD2 HIS A 76 -25.363 13.752 -13.521 1.00 0.00 H new ATOM 0 HE1 HIS A 76 -28.442 16.198 -11.930 1.00 0.00 H new ATOM 0 HE2 HIS A 76 -26.733 15.953 -13.800 1.00 0.00 H new ATOM 1206 N LEU A 77 -24.650 11.916 -8.169 1.00 0.00 N ATOM 1207 CA LEU A 77 -24.552 11.157 -6.927 1.00 0.00 C ATOM 1208 C LEU A 77 -25.873 11.186 -6.166 1.00 0.00 C ATOM 1209 O LEU A 77 -26.327 12.244 -5.729 1.00 0.00 O ATOM 1210 CB LEU A 77 -23.432 11.719 -6.050 1.00 0.00 C ATOM 1211 CG LEU A 77 -23.521 13.210 -5.721 1.00 0.00 C ATOM 1212 CD1 LEU A 77 -24.042 13.414 -4.307 1.00 0.00 C ATOM 1213 CD2 LEU A 77 -22.164 13.876 -5.892 1.00 0.00 C ATOM 0 H LEU A 77 -24.677 12.928 -8.043 1.00 0.00 H new ATOM 0 HA LEU A 77 -24.322 10.122 -7.179 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -23.416 11.161 -5.114 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -22.480 11.533 -6.548 1.00 0.00 H new ATOM 0 HG LEU A 77 -24.221 13.674 -6.415 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -24.099 14.481 -4.090 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -25.035 12.972 -4.218 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -23.367 12.935 -3.598 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -22.247 14.936 -5.654 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -21.442 13.409 -5.222 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -21.830 13.761 -6.923 1.00 0.00 H new ATOM 1225 N VAL A 78 -26.486 10.017 -6.008 1.00 0.00 N ATOM 1226 CA VAL A 78 -27.754 9.908 -5.296 1.00 0.00 C ATOM 1227 C VAL A 78 -27.586 9.138 -3.991 1.00 0.00 C ATOM 1228 O VAL A 78 -27.008 8.051 -3.969 1.00 0.00 O ATOM 1229 CB VAL A 78 -28.823 9.210 -6.158 1.00 0.00 C ATOM 1230 CG1 VAL A 78 -29.326 10.147 -7.246 1.00 0.00 C ATOM 1231 CG2 VAL A 78 -28.268 7.929 -6.760 1.00 0.00 C ATOM 0 H VAL A 78 -26.125 9.132 -6.364 1.00 0.00 H new ATOM 0 HA VAL A 78 -28.083 10.924 -5.075 1.00 0.00 H new ATOM 0 HB VAL A 78 -29.666 8.948 -5.519 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -30.080 9.637 -7.845 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -29.764 11.034 -6.788 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -28.494 10.442 -7.885 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -29.037 7.449 -7.366 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -27.407 8.164 -7.386 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -27.962 7.254 -5.961 1.00 0.00 H new ATOM 1241 N LEU A 79 -28.096 9.708 -2.905 1.00 0.00 N ATOM 1242 CA LEU A 79 -28.004 9.074 -1.594 1.00 0.00 C ATOM 1243 C LEU A 79 -29.349 8.487 -1.178 1.00 0.00 C ATOM 1244 O LEU A 79 -30.396 9.102 -1.379 1.00 0.00 O ATOM 1245 CB LEU A 79 -27.532 10.087 -0.549 1.00 0.00 C ATOM 1246 CG LEU A 79 -26.029 10.366 -0.516 1.00 0.00 C ATOM 1247 CD1 LEU A 79 -25.591 11.081 -1.785 1.00 0.00 C ATOM 1248 CD2 LEU A 79 -25.665 11.185 0.713 1.00 0.00 C ATOM 0 H LEU A 79 -28.577 10.607 -2.906 1.00 0.00 H new ATOM 0 HA LEU A 79 -27.279 8.263 -1.659 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -28.052 11.029 -0.724 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -27.837 9.732 0.435 1.00 0.00 H new ATOM 0 HG LEU A 79 -25.503 9.413 -0.461 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -24.519 11.271 -1.744 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -25.816 10.457 -2.650 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -26.124 12.028 -1.872 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -24.591 11.374 0.720 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -26.200 12.134 0.689 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -25.942 10.635 1.612 1.00 0.00 H new