USER MOD reduce.3.24.130724 H: found=0, std=0, add=602, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 601 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 41 CYS SG : rot 150:sc= -4.2! USER MOD Set 1.2: A 51 THR OG1 : rot 79:sc= 0.988 USER MOD Single : A 10 THR OG1 : rot -37:sc= 0.805 USER MOD Single : A 16 ASN : amide:sc= -0.95 K(o=-0.95,f=-5.3!) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 THR OG1 : rot -84:sc= 0.816 USER MOD Single : A 21 GLN : amide:sc= -0.0192 K(o=-0.019,f=-1.6!) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 32 SER OG : rot -109:sc= 0.0469 USER MOD Single : A 34 GLN : amide:sc= -0.0472 K(o=-0.047,f=-1) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 154:sc= -0.15 (180deg=-0.719) USER MOD Single : A 44 CYS SG : rot -125:sc= -0.975 USER MOD Single : A 50 HIS : no HD1:sc= -1.25 K(o=-1.2,f=-0.12) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= -0.0374 K(o=-0.037,f=-0.6) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 SER OG : rot 122:sc= 1.02 USER MOD Single : A 70 ASN : amide:sc= -0.166 K(o=-0.17,f=-0.96) USER MOD Single : A 78 TYR OH : rot 180:sc= -1.15 USER MOD Single : A 80 MET CE :methyl -133:sc= -0.839 (180deg=-1.67) USER MOD ----------------------------------------------------------------- ATOM 103 N THR A 10 0.128 -14.656 -5.067 1.00 0.00 N ATOM 104 CA THR A 10 0.328 -13.230 -4.871 1.00 0.00 C ATOM 105 C THR A 10 0.187 -12.484 -6.200 1.00 0.00 C ATOM 106 O THR A 10 0.532 -13.016 -7.254 1.00 0.00 O ATOM 107 CB THR A 10 1.690 -13.031 -4.205 1.00 0.00 C ATOM 108 OG1 THR A 10 2.539 -13.967 -4.863 1.00 0.00 O ATOM 109 CG2 THR A 10 1.699 -13.483 -2.743 1.00 0.00 C ATOM 0 HA THR A 10 -0.435 -12.810 -4.216 1.00 0.00 H new ATOM 0 HB THR A 10 1.971 -11.979 -4.261 1.00 0.00 H new ATOM 0 HG1 THR A 10 2.040 -14.791 -5.044 1.00 0.00 H new ATOM 0 HG21 THR A 10 2.689 -13.320 -2.318 1.00 0.00 H new ATOM 0 HG22 THR A 10 0.963 -12.909 -2.180 1.00 0.00 H new ATOM 0 HG23 THR A 10 1.451 -14.543 -2.688 1.00 0.00 H new ATOM 117 N VAL A 11 -0.321 -11.264 -6.106 1.00 0.00 N ATOM 118 CA VAL A 11 -0.512 -10.440 -7.287 1.00 0.00 C ATOM 119 C VAL A 11 0.553 -9.342 -7.315 1.00 0.00 C ATOM 120 O VAL A 11 1.080 -8.956 -6.273 1.00 0.00 O ATOM 121 CB VAL A 11 -1.939 -9.889 -7.315 1.00 0.00 C ATOM 122 CG1 VAL A 11 -2.960 -11.018 -7.468 1.00 0.00 C ATOM 123 CG2 VAL A 11 -2.229 -9.052 -6.068 1.00 0.00 C ATOM 0 H VAL A 11 -0.606 -10.826 -5.230 1.00 0.00 H new ATOM 0 HA VAL A 11 -0.389 -11.035 -8.192 1.00 0.00 H new ATOM 0 HB VAL A 11 -2.029 -9.237 -8.184 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -3.966 -10.599 -7.485 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -2.774 -11.553 -8.399 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -2.868 -11.708 -6.629 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -3.250 -8.673 -6.114 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -2.111 -9.671 -5.179 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -1.533 -8.215 -6.022 1.00 0.00 H new ATOM 133 N ARG A 12 0.838 -8.870 -8.520 1.00 0.00 N ATOM 134 CA ARG A 12 1.831 -7.824 -8.698 1.00 0.00 C ATOM 135 C ARG A 12 1.195 -6.447 -8.495 1.00 0.00 C ATOM 136 O ARG A 12 0.340 -6.033 -9.277 1.00 0.00 O ATOM 137 CB ARG A 12 2.456 -7.888 -10.093 1.00 0.00 C ATOM 138 CG ARG A 12 1.459 -7.434 -11.161 1.00 0.00 C ATOM 139 CD ARG A 12 1.848 -7.974 -12.539 1.00 0.00 C ATOM 140 NE ARG A 12 0.651 -8.060 -13.405 1.00 0.00 N ATOM 141 CZ ARG A 12 0.660 -8.553 -14.651 1.00 0.00 C ATOM 142 NH1 ARG A 12 1.802 -9.008 -15.184 1.00 0.00 N ATOM 143 NH2 ARG A 12 -0.475 -8.593 -15.364 1.00 0.00 N ATOM 0 H ARG A 12 0.399 -9.193 -9.382 1.00 0.00 H new ATOM 0 HA ARG A 12 2.613 -7.980 -7.955 1.00 0.00 H new ATOM 0 HB2 ARG A 12 3.344 -7.257 -10.127 1.00 0.00 H new ATOM 0 HB3 ARG A 12 2.781 -8.907 -10.303 1.00 0.00 H new ATOM 0 HG2 ARG A 12 0.459 -7.780 -10.900 1.00 0.00 H new ATOM 0 HG3 ARG A 12 1.423 -6.345 -11.190 1.00 0.00 H new ATOM 0 HD2 ARG A 12 2.592 -7.323 -12.997 1.00 0.00 H new ATOM 0 HD3 ARG A 12 2.305 -8.958 -12.437 1.00 0.00 H new ATOM 0 HE ARG A 12 -0.236 -7.723 -13.030 1.00 0.00 H new ATOM 0 HH11 ARG A 12 2.665 -8.979 -14.641 1.00 0.00 H new ATOM 0 HH12 ARG A 12 1.808 -9.383 -16.132 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -1.345 -8.248 -14.958 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -0.468 -8.968 -16.312 1.00 0.00 H new ATOM 157 N VAL A 13 1.635 -5.777 -7.440 1.00 0.00 N ATOM 158 CA VAL A 13 1.119 -4.456 -7.125 1.00 0.00 C ATOM 159 C VAL A 13 2.151 -3.400 -7.528 1.00 0.00 C ATOM 160 O VAL A 13 3.351 -3.603 -7.355 1.00 0.00 O ATOM 161 CB VAL A 13 0.736 -4.383 -5.645 1.00 0.00 C ATOM 162 CG1 VAL A 13 0.362 -2.955 -5.245 1.00 0.00 C ATOM 163 CG2 VAL A 13 -0.398 -5.358 -5.324 1.00 0.00 C ATOM 0 H VAL A 13 2.343 -6.124 -6.793 1.00 0.00 H new ATOM 0 HA VAL A 13 0.210 -4.256 -7.693 1.00 0.00 H new ATOM 0 HB VAL A 13 1.606 -4.677 -5.059 1.00 0.00 H new ATOM 0 HG11 VAL A 13 0.094 -2.931 -4.189 1.00 0.00 H new ATOM 0 HG12 VAL A 13 1.211 -2.294 -5.419 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -0.486 -2.620 -5.842 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -0.651 -5.286 -4.266 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -1.273 -5.109 -5.924 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -0.079 -6.375 -5.553 1.00 0.00 H new ATOM 173 N VAL A 14 1.644 -2.296 -8.057 1.00 0.00 N ATOM 174 CA VAL A 14 2.507 -1.208 -8.486 1.00 0.00 C ATOM 175 C VAL A 14 2.652 -0.198 -7.346 1.00 0.00 C ATOM 176 O VAL A 14 1.718 0.546 -7.048 1.00 0.00 O ATOM 177 CB VAL A 14 1.962 -0.584 -9.772 1.00 0.00 C ATOM 178 CG1 VAL A 14 2.616 0.772 -10.043 1.00 0.00 C ATOM 179 CG2 VAL A 14 2.145 -1.529 -10.961 1.00 0.00 C ATOM 0 H VAL A 14 0.647 -2.131 -8.198 1.00 0.00 H new ATOM 0 HA VAL A 14 3.505 -1.581 -8.719 1.00 0.00 H new ATOM 0 HB VAL A 14 0.893 -0.419 -9.637 1.00 0.00 H new ATOM 0 HG11 VAL A 14 2.211 1.194 -10.963 1.00 0.00 H new ATOM 0 HG12 VAL A 14 2.411 1.447 -9.213 1.00 0.00 H new ATOM 0 HG13 VAL A 14 3.693 0.642 -10.147 1.00 0.00 H new ATOM 0 HG21 VAL A 14 1.749 -1.061 -11.862 1.00 0.00 H new ATOM 0 HG22 VAL A 14 3.206 -1.740 -11.098 1.00 0.00 H new ATOM 0 HG23 VAL A 14 1.611 -2.460 -10.771 1.00 0.00 H new ATOM 189 N ILE A 15 3.829 -0.204 -6.738 1.00 0.00 N ATOM 190 CA ILE A 15 4.108 0.703 -5.638 1.00 0.00 C ATOM 191 C ILE A 15 4.807 1.953 -6.177 1.00 0.00 C ATOM 192 O ILE A 15 6.008 1.933 -6.439 1.00 0.00 O ATOM 193 CB ILE A 15 4.895 -0.015 -4.539 1.00 0.00 C ATOM 194 CG1 ILE A 15 4.076 -1.159 -3.937 1.00 0.00 C ATOM 195 CG2 ILE A 15 5.370 0.973 -3.471 1.00 0.00 C ATOM 196 CD1 ILE A 15 2.917 -0.622 -3.096 1.00 0.00 C ATOM 0 H ILE A 15 4.601 -0.823 -6.986 1.00 0.00 H new ATOM 0 HA ILE A 15 3.180 1.033 -5.172 1.00 0.00 H new ATOM 0 HB ILE A 15 5.784 -0.457 -4.988 1.00 0.00 H new ATOM 0 HG12 ILE A 15 3.688 -1.792 -4.735 1.00 0.00 H new ATOM 0 HG13 ILE A 15 4.719 -1.785 -3.318 1.00 0.00 H new ATOM 0 HG21 ILE A 15 5.926 0.438 -2.702 1.00 0.00 H new ATOM 0 HG22 ILE A 15 6.015 1.723 -3.930 1.00 0.00 H new ATOM 0 HG23 ILE A 15 4.508 1.463 -3.020 1.00 0.00 H new ATOM 0 HD11 ILE A 15 2.352 -1.456 -2.680 1.00 0.00 H new ATOM 0 HD12 ILE A 15 3.310 -0.010 -2.284 1.00 0.00 H new ATOM 0 HD13 ILE A 15 2.262 -0.017 -3.723 1.00 0.00 H new ATOM 208 N ASN A 16 4.023 3.011 -6.326 1.00 0.00 N ATOM 209 CA ASN A 16 4.551 4.268 -6.829 1.00 0.00 C ATOM 210 C ASN A 16 5.002 5.135 -5.651 1.00 0.00 C ATOM 211 O ASN A 16 4.248 5.338 -4.701 1.00 0.00 O ATOM 212 CB ASN A 16 3.484 5.043 -7.605 1.00 0.00 C ATOM 213 CG ASN A 16 3.059 4.281 -8.862 1.00 0.00 C ATOM 214 OD1 ASN A 16 3.861 3.955 -9.722 1.00 0.00 O ATOM 215 ND2 ASN A 16 1.757 4.017 -8.920 1.00 0.00 N ATOM 0 H ASN A 16 3.027 3.024 -6.107 1.00 0.00 H new ATOM 0 HA ASN A 16 5.386 4.041 -7.492 1.00 0.00 H new ATOM 0 HB2 ASN A 16 2.616 5.212 -6.967 1.00 0.00 H new ATOM 0 HB3 ASN A 16 3.871 6.023 -7.883 1.00 0.00 H new ATOM 0 HD21 ASN A 16 1.374 3.512 -9.720 1.00 0.00 H new ATOM 0 HD22 ASN A 16 1.141 4.319 -8.165 1.00 0.00 H new ATOM 222 N PHE A 17 6.230 5.622 -5.753 1.00 0.00 N ATOM 223 CA PHE A 17 6.791 6.462 -4.708 1.00 0.00 C ATOM 224 C PHE A 17 7.689 7.549 -5.301 1.00 0.00 C ATOM 225 O PHE A 17 8.228 7.385 -6.395 1.00 0.00 O ATOM 226 CB PHE A 17 7.633 5.555 -3.809 1.00 0.00 C ATOM 227 CG PHE A 17 8.933 5.071 -4.455 1.00 0.00 C ATOM 228 CD1 PHE A 17 10.051 5.844 -4.396 1.00 0.00 C ATOM 229 CD2 PHE A 17 8.971 3.869 -5.089 1.00 0.00 C ATOM 230 CE1 PHE A 17 11.257 5.396 -4.996 1.00 0.00 C ATOM 231 CE2 PHE A 17 10.177 3.420 -5.690 1.00 0.00 C ATOM 232 CZ PHE A 17 11.295 4.193 -5.630 1.00 0.00 C ATOM 0 H PHE A 17 6.852 5.451 -6.543 1.00 0.00 H new ATOM 0 HA PHE A 17 5.990 6.953 -4.155 1.00 0.00 H new ATOM 0 HB2 PHE A 17 7.873 6.092 -2.892 1.00 0.00 H new ATOM 0 HB3 PHE A 17 7.036 4.688 -3.524 1.00 0.00 H new ATOM 0 HD1 PHE A 17 10.021 6.799 -3.892 1.00 0.00 H new ATOM 0 HD2 PHE A 17 8.084 3.255 -5.136 1.00 0.00 H new ATOM 0 HE1 PHE A 17 12.144 6.010 -4.949 1.00 0.00 H new ATOM 0 HE2 PHE A 17 10.207 2.465 -6.194 1.00 0.00 H new ATOM 0 HZ PHE A 17 12.213 3.852 -6.086 1.00 0.00 H new ATOM 242 N LYS A 18 7.823 8.634 -4.553 1.00 0.00 N ATOM 243 CA LYS A 18 8.647 9.748 -4.991 1.00 0.00 C ATOM 244 C LYS A 18 7.968 10.446 -6.171 1.00 0.00 C ATOM 245 O LYS A 18 8.554 11.328 -6.796 1.00 0.00 O ATOM 246 CB LYS A 18 10.071 9.275 -5.294 1.00 0.00 C ATOM 247 CG LYS A 18 11.003 9.550 -4.112 1.00 0.00 C ATOM 248 CD LYS A 18 12.466 9.561 -4.559 1.00 0.00 C ATOM 249 CE LYS A 18 13.308 8.614 -3.701 1.00 0.00 C ATOM 250 NZ LYS A 18 14.315 7.918 -4.533 1.00 0.00 N ATOM 0 H LYS A 18 7.375 8.766 -3.646 1.00 0.00 H new ATOM 0 HA LYS A 18 8.743 10.486 -4.195 1.00 0.00 H new ATOM 0 HB2 LYS A 18 10.064 8.208 -5.516 1.00 0.00 H new ATOM 0 HB3 LYS A 18 10.445 9.783 -6.183 1.00 0.00 H new ATOM 0 HG2 LYS A 18 10.750 10.509 -3.660 1.00 0.00 H new ATOM 0 HG3 LYS A 18 10.859 8.788 -3.346 1.00 0.00 H new ATOM 0 HD2 LYS A 18 12.532 9.265 -5.606 1.00 0.00 H new ATOM 0 HD3 LYS A 18 12.864 10.573 -4.488 1.00 0.00 H new ATOM 0 HE2 LYS A 18 13.806 9.176 -2.911 1.00 0.00 H new ATOM 0 HE3 LYS A 18 12.662 7.883 -3.214 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 14.878 7.279 -3.935 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 13.834 7.366 -5.272 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 14.942 8.618 -4.977 1.00 0.00 H new ATOM 264 N LYS A 19 6.741 10.025 -6.440 1.00 0.00 N ATOM 265 CA LYS A 19 5.975 10.599 -7.533 1.00 0.00 C ATOM 266 C LYS A 19 6.809 10.550 -8.815 1.00 0.00 C ATOM 267 O LYS A 19 6.660 11.402 -9.690 1.00 0.00 O ATOM 268 CB LYS A 19 5.490 12.004 -7.168 1.00 0.00 C ATOM 269 CG LYS A 19 4.174 11.945 -6.391 1.00 0.00 C ATOM 270 CD LYS A 19 3.406 13.262 -6.512 1.00 0.00 C ATOM 271 CE LYS A 19 2.802 13.419 -7.909 1.00 0.00 C ATOM 272 NZ LYS A 19 3.251 14.685 -8.529 1.00 0.00 N ATOM 0 H LYS A 19 6.258 9.293 -5.920 1.00 0.00 H new ATOM 0 HA LYS A 19 5.074 10.013 -7.715 1.00 0.00 H new ATOM 0 HB2 LYS A 19 6.247 12.510 -6.569 1.00 0.00 H new ATOM 0 HB3 LYS A 19 5.355 12.593 -8.075 1.00 0.00 H new ATOM 0 HG2 LYS A 19 3.561 11.127 -6.769 1.00 0.00 H new ATOM 0 HG3 LYS A 19 4.377 11.733 -5.341 1.00 0.00 H new ATOM 0 HD2 LYS A 19 2.614 13.295 -5.764 1.00 0.00 H new ATOM 0 HD3 LYS A 19 4.075 14.097 -6.305 1.00 0.00 H new ATOM 0 HE2 LYS A 19 3.096 12.577 -8.535 1.00 0.00 H new ATOM 0 HE3 LYS A 19 1.714 13.405 -7.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 2.832 14.775 -9.476 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 2.949 15.487 -7.939 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 4.288 14.684 -8.608 1.00 0.00 H new ATOM 286 N THR A 20 7.669 9.545 -8.885 1.00 0.00 N ATOM 287 CA THR A 20 8.527 9.374 -10.045 1.00 0.00 C ATOM 288 C THR A 20 8.960 7.912 -10.178 1.00 0.00 C ATOM 289 O THR A 20 8.846 7.322 -11.251 1.00 0.00 O ATOM 290 CB THR A 20 9.701 10.345 -9.912 1.00 0.00 C ATOM 291 OG1 THR A 20 10.229 10.076 -8.616 1.00 0.00 O ATOM 292 CG2 THR A 20 9.248 11.805 -9.835 1.00 0.00 C ATOM 0 H THR A 20 7.790 8.841 -8.157 1.00 0.00 H new ATOM 0 HA THR A 20 7.996 9.608 -10.967 1.00 0.00 H new ATOM 0 HB THR A 20 10.374 10.219 -10.760 1.00 0.00 H new ATOM 0 HG1 THR A 20 9.723 10.581 -7.945 1.00 0.00 H new ATOM 0 HG21 THR A 20 10.120 12.452 -9.741 1.00 0.00 H new ATOM 0 HG22 THR A 20 8.700 12.064 -10.741 1.00 0.00 H new ATOM 0 HG23 THR A 20 8.601 11.940 -8.968 1.00 0.00 H new ATOM 300 N GLN A 21 9.447 7.370 -9.071 1.00 0.00 N ATOM 301 CA GLN A 21 9.897 5.989 -9.050 1.00 0.00 C ATOM 302 C GLN A 21 8.771 5.071 -8.571 1.00 0.00 C ATOM 303 O GLN A 21 7.873 5.507 -7.852 1.00 0.00 O ATOM 304 CB GLN A 21 11.142 5.831 -8.176 1.00 0.00 C ATOM 305 CG GLN A 21 12.373 6.428 -8.861 1.00 0.00 C ATOM 306 CD GLN A 21 13.643 6.136 -8.059 1.00 0.00 C ATOM 307 OE1 GLN A 21 13.738 5.160 -7.332 1.00 0.00 O ATOM 308 NE2 GLN A 21 14.610 7.032 -8.232 1.00 0.00 N ATOM 0 H GLN A 21 9.540 7.862 -8.183 1.00 0.00 H new ATOM 0 HA GLN A 21 10.168 5.700 -10.066 1.00 0.00 H new ATOM 0 HB2 GLN A 21 10.982 6.322 -7.216 1.00 0.00 H new ATOM 0 HB3 GLN A 21 11.313 4.775 -7.969 1.00 0.00 H new ATOM 0 HG2 GLN A 21 12.470 6.016 -9.865 1.00 0.00 H new ATOM 0 HG3 GLN A 21 12.247 7.505 -8.969 1.00 0.00 H new ATOM 0 HE21 GLN A 21 14.464 7.826 -8.856 1.00 0.00 H new ATOM 0 HE22 GLN A 21 15.498 6.925 -7.741 1.00 0.00 H new ATOM 317 N LYS A 22 8.855 3.816 -8.990 1.00 0.00 N ATOM 318 CA LYS A 22 7.854 2.833 -8.612 1.00 0.00 C ATOM 319 C LYS A 22 8.502 1.448 -8.554 1.00 0.00 C ATOM 320 O LYS A 22 9.497 1.196 -9.231 1.00 0.00 O ATOM 321 CB LYS A 22 6.648 2.908 -9.551 1.00 0.00 C ATOM 322 CG LYS A 22 7.091 2.897 -11.015 1.00 0.00 C ATOM 323 CD LYS A 22 6.531 1.676 -11.748 1.00 0.00 C ATOM 324 CE LYS A 22 7.318 1.397 -13.030 1.00 0.00 C ATOM 325 NZ LYS A 22 8.383 0.401 -12.778 1.00 0.00 N ATOM 0 H LYS A 22 9.600 3.458 -9.587 1.00 0.00 H new ATOM 0 HA LYS A 22 7.467 3.047 -7.616 1.00 0.00 H new ATOM 0 HB2 LYS A 22 5.983 2.065 -9.362 1.00 0.00 H new ATOM 0 HB3 LYS A 22 6.079 3.815 -9.346 1.00 0.00 H new ATOM 0 HG2 LYS A 22 6.753 3.808 -11.508 1.00 0.00 H new ATOM 0 HG3 LYS A 22 8.180 2.891 -11.069 1.00 0.00 H new ATOM 0 HD2 LYS A 22 6.573 0.805 -11.095 1.00 0.00 H new ATOM 0 HD3 LYS A 22 5.481 1.843 -11.990 1.00 0.00 H new ATOM 0 HE2 LYS A 22 6.645 1.030 -13.805 1.00 0.00 H new ATOM 0 HE3 LYS A 22 7.758 2.322 -13.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 8.907 0.223 -13.658 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 9.035 0.765 -12.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 7.956 -0.487 -12.444 1.00 0.00 H new ATOM 339 N THR A 23 7.911 0.587 -7.738 1.00 0.00 N ATOM 340 CA THR A 23 8.418 -0.765 -7.583 1.00 0.00 C ATOM 341 C THR A 23 7.263 -1.768 -7.546 1.00 0.00 C ATOM 342 O THR A 23 6.184 -1.459 -7.042 1.00 0.00 O ATOM 343 CB THR A 23 9.293 -0.801 -6.328 1.00 0.00 C ATOM 344 OG1 THR A 23 9.908 -2.086 -6.370 1.00 0.00 O ATOM 345 CG2 THR A 23 8.468 -0.824 -5.040 1.00 0.00 C ATOM 0 H THR A 23 7.086 0.800 -7.178 1.00 0.00 H new ATOM 0 HA THR A 23 9.033 -1.056 -8.435 1.00 0.00 H new ATOM 0 HB THR A 23 9.953 0.066 -6.321 1.00 0.00 H new ATOM 0 HG1 THR A 23 10.495 -2.193 -5.593 1.00 0.00 H new ATOM 0 HG21 THR A 23 9.137 -0.849 -4.180 1.00 0.00 H new ATOM 0 HG22 THR A 23 7.846 0.070 -4.990 1.00 0.00 H new ATOM 0 HG23 THR A 23 7.832 -1.709 -5.031 1.00 0.00 H new ATOM 353 N ILE A 24 7.528 -2.947 -8.088 1.00 0.00 N ATOM 354 CA ILE A 24 6.523 -3.997 -8.124 1.00 0.00 C ATOM 355 C ILE A 24 6.805 -5.004 -7.007 1.00 0.00 C ATOM 356 O ILE A 24 7.961 -5.287 -6.698 1.00 0.00 O ATOM 357 CB ILE A 24 6.455 -4.626 -9.517 1.00 0.00 C ATOM 358 CG1 ILE A 24 6.023 -3.596 -10.563 1.00 0.00 C ATOM 359 CG2 ILE A 24 5.549 -5.859 -9.518 1.00 0.00 C ATOM 360 CD1 ILE A 24 4.555 -3.208 -10.377 1.00 0.00 C ATOM 0 H ILE A 24 8.424 -3.199 -8.506 1.00 0.00 H new ATOM 0 HA ILE A 24 5.532 -3.583 -7.938 1.00 0.00 H new ATOM 0 HB ILE A 24 7.456 -4.962 -9.790 1.00 0.00 H new ATOM 0 HG12 ILE A 24 6.650 -2.708 -10.485 1.00 0.00 H new ATOM 0 HG13 ILE A 24 6.171 -4.004 -11.563 1.00 0.00 H new ATOM 0 HG21 ILE A 24 5.518 -6.287 -10.520 1.00 0.00 H new ATOM 0 HG22 ILE A 24 5.940 -6.599 -8.819 1.00 0.00 H new ATOM 0 HG23 ILE A 24 4.542 -5.571 -9.215 1.00 0.00 H new ATOM 0 HD11 ILE A 24 4.274 -2.475 -11.133 1.00 0.00 H new ATOM 0 HD12 ILE A 24 3.929 -4.094 -10.480 1.00 0.00 H new ATOM 0 HD13 ILE A 24 4.415 -2.778 -9.385 1.00 0.00 H new ATOM 372 N VAL A 25 5.727 -5.519 -6.433 1.00 0.00 N ATOM 373 CA VAL A 25 5.844 -6.489 -5.357 1.00 0.00 C ATOM 374 C VAL A 25 4.729 -7.528 -5.491 1.00 0.00 C ATOM 375 O VAL A 25 3.669 -7.239 -6.044 1.00 0.00 O ATOM 376 CB VAL A 25 5.836 -5.774 -4.005 1.00 0.00 C ATOM 377 CG1 VAL A 25 6.971 -4.752 -3.919 1.00 0.00 C ATOM 378 CG2 VAL A 25 4.482 -5.114 -3.741 1.00 0.00 C ATOM 0 H VAL A 25 4.769 -5.283 -6.693 1.00 0.00 H new ATOM 0 HA VAL A 25 6.793 -7.020 -5.422 1.00 0.00 H new ATOM 0 HB VAL A 25 6.000 -6.522 -3.230 1.00 0.00 H new ATOM 0 HG11 VAL A 25 6.943 -4.258 -2.948 1.00 0.00 H new ATOM 0 HG12 VAL A 25 7.928 -5.260 -4.040 1.00 0.00 H new ATOM 0 HG13 VAL A 25 6.852 -4.009 -4.708 1.00 0.00 H new ATOM 0 HG21 VAL A 25 4.504 -4.613 -2.773 1.00 0.00 H new ATOM 0 HG22 VAL A 25 4.275 -4.384 -4.523 1.00 0.00 H new ATOM 0 HG23 VAL A 25 3.701 -5.874 -3.738 1.00 0.00 H new ATOM 388 N ARG A 26 5.006 -8.717 -4.974 1.00 0.00 N ATOM 389 CA ARG A 26 4.040 -9.800 -5.029 1.00 0.00 C ATOM 390 C ARG A 26 3.541 -10.138 -3.622 1.00 0.00 C ATOM 391 O ARG A 26 4.293 -10.665 -2.804 1.00 0.00 O ATOM 392 CB ARG A 26 4.651 -11.052 -5.660 1.00 0.00 C ATOM 393 CG ARG A 26 3.941 -11.410 -6.967 1.00 0.00 C ATOM 394 CD ARG A 26 4.920 -12.012 -7.977 1.00 0.00 C ATOM 395 NE ARG A 26 4.193 -12.873 -8.936 1.00 0.00 N ATOM 396 CZ ARG A 26 3.521 -12.411 -10.000 1.00 0.00 C ATOM 397 NH1 ARG A 26 3.480 -11.095 -10.247 1.00 0.00 N ATOM 398 NH2 ARG A 26 2.890 -13.266 -10.817 1.00 0.00 N ATOM 0 H ARG A 26 5.886 -8.953 -4.515 1.00 0.00 H new ATOM 0 HA ARG A 26 3.204 -9.468 -5.645 1.00 0.00 H new ATOM 0 HB2 ARG A 26 5.711 -10.887 -5.852 1.00 0.00 H new ATOM 0 HB3 ARG A 26 4.580 -11.887 -4.963 1.00 0.00 H new ATOM 0 HG2 ARG A 26 3.138 -12.120 -6.766 1.00 0.00 H new ATOM 0 HG3 ARG A 26 3.479 -10.518 -7.390 1.00 0.00 H new ATOM 0 HD2 ARG A 26 5.439 -11.216 -8.511 1.00 0.00 H new ATOM 0 HD3 ARG A 26 5.680 -12.595 -7.456 1.00 0.00 H new ATOM 0 HE ARG A 26 4.204 -13.881 -8.778 1.00 0.00 H new ATOM 0 HH11 ARG A 26 3.960 -10.444 -9.625 1.00 0.00 H new ATOM 0 HH12 ARG A 26 2.969 -10.744 -11.057 1.00 0.00 H new ATOM 0 HH21 ARG A 26 2.921 -14.268 -10.629 1.00 0.00 H new ATOM 0 HH22 ARG A 26 2.379 -12.915 -11.627 1.00 0.00 H new ATOM 412 N VAL A 27 2.277 -9.821 -3.385 1.00 0.00 N ATOM 413 CA VAL A 27 1.669 -10.085 -2.092 1.00 0.00 C ATOM 414 C VAL A 27 0.241 -10.594 -2.298 1.00 0.00 C ATOM 415 O VAL A 27 -0.267 -10.591 -3.418 1.00 0.00 O ATOM 416 CB VAL A 27 1.737 -8.831 -1.217 1.00 0.00 C ATOM 417 CG1 VAL A 27 3.136 -8.650 -0.624 1.00 0.00 C ATOM 418 CG2 VAL A 27 1.310 -7.590 -2.003 1.00 0.00 C ATOM 0 H VAL A 27 1.657 -9.384 -4.067 1.00 0.00 H new ATOM 0 HA VAL A 27 2.218 -10.865 -1.564 1.00 0.00 H new ATOM 0 HB VAL A 27 1.038 -8.961 -0.391 1.00 0.00 H new ATOM 0 HG11 VAL A 27 3.156 -7.752 -0.007 1.00 0.00 H new ATOM 0 HG12 VAL A 27 3.387 -9.516 -0.012 1.00 0.00 H new ATOM 0 HG13 VAL A 27 3.863 -8.553 -1.430 1.00 0.00 H new ATOM 0 HG21 VAL A 27 1.367 -6.713 -1.358 1.00 0.00 H new ATOM 0 HG22 VAL A 27 1.972 -7.455 -2.858 1.00 0.00 H new ATOM 0 HG23 VAL A 27 0.286 -7.716 -2.354 1.00 0.00 H new ATOM 428 N SER A 28 -0.366 -11.018 -1.200 1.00 0.00 N ATOM 429 CA SER A 28 -1.725 -11.529 -1.246 1.00 0.00 C ATOM 430 C SER A 28 -2.718 -10.368 -1.332 1.00 0.00 C ATOM 431 O SER A 28 -2.640 -9.421 -0.551 1.00 0.00 O ATOM 432 CB SER A 28 -2.029 -12.398 -0.024 1.00 0.00 C ATOM 433 OG SER A 28 -2.417 -13.719 -0.391 1.00 0.00 O ATOM 0 H SER A 28 0.059 -11.018 -0.273 1.00 0.00 H new ATOM 0 HA SER A 28 -1.826 -12.152 -2.135 1.00 0.00 H new ATOM 0 HB2 SER A 28 -1.148 -12.444 0.616 1.00 0.00 H new ATOM 0 HB3 SER A 28 -2.824 -11.936 0.561 1.00 0.00 H new ATOM 0 HG SER A 28 -2.601 -14.242 0.417 1.00 0.00 H new ATOM 439 N PRO A 29 -3.653 -10.483 -2.313 1.00 0.00 N ATOM 440 CA PRO A 29 -4.660 -9.454 -2.511 1.00 0.00 C ATOM 441 C PRO A 29 -5.738 -9.526 -1.428 1.00 0.00 C ATOM 442 O PRO A 29 -6.528 -8.597 -1.270 1.00 0.00 O ATOM 443 CB PRO A 29 -5.204 -9.701 -3.908 1.00 0.00 C ATOM 444 CG PRO A 29 -4.819 -11.128 -4.260 1.00 0.00 C ATOM 445 CD PRO A 29 -3.775 -11.590 -3.256 1.00 0.00 C ATOM 0 HA PRO A 29 -4.254 -8.446 -2.428 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -6.286 -9.571 -3.934 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -4.781 -8.995 -4.622 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -5.693 -11.778 -4.228 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -4.422 -11.177 -5.274 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -4.087 -12.506 -2.754 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -2.823 -11.802 -3.743 1.00 0.00 H new ATOM 453 N HIS A 30 -5.735 -10.639 -0.709 1.00 0.00 N ATOM 454 CA HIS A 30 -6.703 -10.845 0.355 1.00 0.00 C ATOM 455 C HIS A 30 -6.361 -9.942 1.542 1.00 0.00 C ATOM 456 O HIS A 30 -7.137 -9.055 1.896 1.00 0.00 O ATOM 457 CB HIS A 30 -6.782 -12.324 0.739 1.00 0.00 C ATOM 458 CG HIS A 30 -7.653 -13.150 -0.176 1.00 0.00 C ATOM 459 ND1 HIS A 30 -9.032 -13.188 -0.067 1.00 0.00 N ATOM 460 CD2 HIS A 30 -7.327 -13.969 -1.217 1.00 0.00 C ATOM 461 CE1 HIS A 30 -9.504 -13.996 -1.005 1.00 0.00 C ATOM 462 NE2 HIS A 30 -8.446 -14.480 -1.716 1.00 0.00 N ATOM 0 H HIS A 30 -5.078 -11.407 -0.842 1.00 0.00 H new ATOM 0 HA HIS A 30 -7.697 -10.567 0.006 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -5.776 -12.742 0.741 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -7.163 -12.405 1.757 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -6.328 -14.168 -1.575 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -10.544 -14.230 -1.176 1.00 0.00 H new ATOM 0 HE2 HIS A 30 -8.505 -15.128 -2.502 1.00 0.00 H new ATOM 470 N ALA A 31 -5.199 -10.198 2.124 1.00 0.00 N ATOM 471 CA ALA A 31 -4.745 -9.419 3.263 1.00 0.00 C ATOM 472 C ALA A 31 -5.052 -7.940 3.020 1.00 0.00 C ATOM 473 O ALA A 31 -4.962 -7.461 1.890 1.00 0.00 O ATOM 474 CB ALA A 31 -3.254 -9.674 3.495 1.00 0.00 C ATOM 0 H ALA A 31 -4.558 -10.934 1.828 1.00 0.00 H new ATOM 0 HA ALA A 31 -5.272 -9.721 4.168 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -2.914 -9.089 4.350 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -3.093 -10.734 3.693 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -2.692 -9.381 2.608 1.00 0.00 H new ATOM 480 N SER A 32 -5.409 -7.257 4.098 1.00 0.00 N ATOM 481 CA SER A 32 -5.730 -5.842 4.015 1.00 0.00 C ATOM 482 C SER A 32 -4.444 -5.018 3.934 1.00 0.00 C ATOM 483 O SER A 32 -3.411 -5.418 4.468 1.00 0.00 O ATOM 484 CB SER A 32 -6.571 -5.398 5.213 1.00 0.00 C ATOM 485 OG SER A 32 -7.694 -6.250 5.423 1.00 0.00 O ATOM 0 H SER A 32 -5.483 -7.657 5.033 1.00 0.00 H new ATOM 0 HA SER A 32 -6.317 -5.676 3.112 1.00 0.00 H new ATOM 0 HB2 SER A 32 -5.950 -5.390 6.109 1.00 0.00 H new ATOM 0 HB3 SER A 32 -6.916 -4.376 5.055 1.00 0.00 H new ATOM 0 HG SER A 32 -8.516 -5.772 5.186 1.00 0.00 H new ATOM 491 N LEU A 33 -4.549 -3.881 3.262 1.00 0.00 N ATOM 492 CA LEU A 33 -3.407 -2.996 3.104 1.00 0.00 C ATOM 493 C LEU A 33 -2.757 -2.762 4.469 1.00 0.00 C ATOM 494 O LEU A 33 -1.550 -2.539 4.555 1.00 0.00 O ATOM 495 CB LEU A 33 -3.822 -1.708 2.391 1.00 0.00 C ATOM 496 CG LEU A 33 -4.187 -1.847 0.912 1.00 0.00 C ATOM 497 CD1 LEU A 33 -5.072 -0.687 0.453 1.00 0.00 C ATOM 498 CD2 LEU A 33 -2.931 -1.986 0.048 1.00 0.00 C ATOM 0 H LEU A 33 -5.408 -3.552 2.820 1.00 0.00 H new ATOM 0 HA LEU A 33 -2.653 -3.457 2.466 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -4.677 -1.284 2.917 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -3.007 -0.990 2.477 1.00 0.00 H new ATOM 0 HG LEU A 33 -4.767 -2.762 0.789 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -5.316 -0.811 -0.602 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -5.991 -0.676 1.039 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -4.540 0.254 0.594 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -3.218 -2.083 -0.999 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -2.305 -1.103 0.172 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -2.374 -2.871 0.355 1.00 0.00 H new ATOM 510 N GLN A 34 -3.585 -2.820 5.501 1.00 0.00 N ATOM 511 CA GLN A 34 -3.105 -2.617 6.858 1.00 0.00 C ATOM 512 C GLN A 34 -1.966 -3.589 7.169 1.00 0.00 C ATOM 513 O GLN A 34 -1.032 -3.245 7.892 1.00 0.00 O ATOM 514 CB GLN A 34 -4.244 -2.764 7.869 1.00 0.00 C ATOM 515 CG GLN A 34 -3.700 -3.092 9.262 1.00 0.00 C ATOM 516 CD GLN A 34 -4.755 -2.825 10.338 1.00 0.00 C ATOM 517 OE1 GLN A 34 -5.553 -1.907 10.248 1.00 0.00 O ATOM 518 NE2 GLN A 34 -4.713 -3.677 11.359 1.00 0.00 N ATOM 0 H GLN A 34 -4.585 -3.005 5.425 1.00 0.00 H new ATOM 0 HA GLN A 34 -2.720 -1.600 6.939 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -4.822 -1.841 7.908 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -4.924 -3.552 7.545 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -3.393 -4.137 9.300 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -2.812 -2.491 9.461 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -4.019 -4.424 11.372 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -5.375 -3.583 12.129 1.00 0.00 H new ATOM 527 N GLU A 35 -2.080 -4.784 6.608 1.00 0.00 N ATOM 528 CA GLU A 35 -1.071 -5.808 6.816 1.00 0.00 C ATOM 529 C GLU A 35 -0.009 -5.739 5.717 1.00 0.00 C ATOM 530 O GLU A 35 1.112 -6.212 5.900 1.00 0.00 O ATOM 531 CB GLU A 35 -1.705 -7.199 6.878 1.00 0.00 C ATOM 532 CG GLU A 35 -1.662 -7.758 8.302 1.00 0.00 C ATOM 533 CD GLU A 35 -0.337 -8.476 8.568 1.00 0.00 C ATOM 534 OE1 GLU A 35 0.012 -9.348 7.743 1.00 0.00 O ATOM 535 OE2 GLU A 35 0.297 -8.137 9.591 1.00 0.00 O ATOM 0 H GLU A 35 -2.856 -5.066 6.009 1.00 0.00 H new ATOM 0 HA GLU A 35 -0.587 -5.622 7.775 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -2.738 -7.147 6.535 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -1.178 -7.873 6.203 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -1.791 -6.947 9.019 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -2.491 -8.450 8.450 1.00 0.00 H new ATOM 542 N LEU A 36 -0.399 -5.146 4.598 1.00 0.00 N ATOM 543 CA LEU A 36 0.505 -5.008 3.469 1.00 0.00 C ATOM 544 C LEU A 36 1.165 -3.628 3.514 1.00 0.00 C ATOM 545 O LEU A 36 1.865 -3.240 2.580 1.00 0.00 O ATOM 546 CB LEU A 36 -0.228 -5.297 2.157 1.00 0.00 C ATOM 547 CG LEU A 36 -0.897 -6.668 2.051 1.00 0.00 C ATOM 548 CD1 LEU A 36 -1.798 -6.744 0.817 1.00 0.00 C ATOM 549 CD2 LEU A 36 0.144 -7.790 2.070 1.00 0.00 C ATOM 0 H LEU A 36 -1.329 -4.755 4.449 1.00 0.00 H new ATOM 0 HA LEU A 36 1.305 -5.746 3.530 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -0.990 -4.531 2.013 1.00 0.00 H new ATOM 0 HB3 LEU A 36 0.483 -5.197 1.337 1.00 0.00 H new ATOM 0 HG LEU A 36 -1.534 -6.805 2.925 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -2.262 -7.729 0.765 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -2.574 -5.981 0.885 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -1.202 -6.576 -0.080 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -0.359 -8.754 1.993 1.00 0.00 H new ATOM 0 HD22 LEU A 36 0.826 -7.668 1.228 1.00 0.00 H new ATOM 0 HD23 LEU A 36 0.707 -7.748 3.002 1.00 0.00 H new ATOM 561 N ALA A 37 0.918 -2.926 4.610 1.00 0.00 N ATOM 562 CA ALA A 37 1.479 -1.597 4.789 1.00 0.00 C ATOM 563 C ALA A 37 2.997 -1.707 4.949 1.00 0.00 C ATOM 564 O ALA A 37 3.748 -0.996 4.283 1.00 0.00 O ATOM 565 CB ALA A 37 0.814 -0.919 5.989 1.00 0.00 C ATOM 0 H ALA A 37 0.337 -3.252 5.383 1.00 0.00 H new ATOM 0 HA ALA A 37 1.283 -0.977 3.914 1.00 0.00 H new ATOM 0 HB1 ALA A 37 1.235 0.078 6.123 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -0.259 -0.839 5.813 1.00 0.00 H new ATOM 0 HB3 ALA A 37 0.992 -1.512 6.886 1.00 0.00 H new ATOM 571 N PRO A 38 3.414 -2.627 5.860 1.00 0.00 N ATOM 572 CA PRO A 38 4.828 -2.839 6.116 1.00 0.00 C ATOM 573 C PRO A 38 5.481 -3.622 4.975 1.00 0.00 C ATOM 574 O PRO A 38 6.575 -3.279 4.528 1.00 0.00 O ATOM 575 CB PRO A 38 4.882 -3.573 7.446 1.00 0.00 C ATOM 576 CG PRO A 38 3.493 -4.153 7.658 1.00 0.00 C ATOM 577 CD PRO A 38 2.553 -3.487 6.667 1.00 0.00 C ATOM 0 HA PRO A 38 5.390 -1.906 6.168 1.00 0.00 H new ATOM 0 HB2 PRO A 38 5.635 -4.360 7.427 1.00 0.00 H new ATOM 0 HB3 PRO A 38 5.150 -2.895 8.256 1.00 0.00 H new ATOM 0 HG2 PRO A 38 3.503 -5.233 7.508 1.00 0.00 H new ATOM 0 HG3 PRO A 38 3.158 -3.976 8.680 1.00 0.00 H new ATOM 0 HD2 PRO A 38 2.040 -4.225 6.050 1.00 0.00 H new ATOM 0 HD3 PRO A 38 1.783 -2.909 7.178 1.00 0.00 H new ATOM 585 N ILE A 39 4.782 -4.658 4.536 1.00 0.00 N ATOM 586 CA ILE A 39 5.280 -5.493 3.455 1.00 0.00 C ATOM 587 C ILE A 39 5.593 -4.615 2.242 1.00 0.00 C ATOM 588 O ILE A 39 6.550 -4.875 1.514 1.00 0.00 O ATOM 589 CB ILE A 39 4.296 -6.626 3.157 1.00 0.00 C ATOM 590 CG1 ILE A 39 4.334 -7.689 4.256 1.00 0.00 C ATOM 591 CG2 ILE A 39 4.553 -7.224 1.772 1.00 0.00 C ATOM 592 CD1 ILE A 39 2.935 -7.943 4.822 1.00 0.00 C ATOM 0 H ILE A 39 3.875 -4.939 4.909 1.00 0.00 H new ATOM 0 HA ILE A 39 6.211 -5.979 3.746 1.00 0.00 H new ATOM 0 HB ILE A 39 3.289 -6.210 3.147 1.00 0.00 H new ATOM 0 HG12 ILE A 39 4.742 -8.617 3.855 1.00 0.00 H new ATOM 0 HG13 ILE A 39 5.001 -7.367 5.056 1.00 0.00 H new ATOM 0 HG21 ILE A 39 3.840 -8.027 1.585 1.00 0.00 H new ATOM 0 HG22 ILE A 39 4.435 -6.450 1.014 1.00 0.00 H new ATOM 0 HG23 ILE A 39 5.567 -7.621 1.730 1.00 0.00 H new ATOM 0 HD11 ILE A 39 2.990 -8.703 5.602 1.00 0.00 H new ATOM 0 HD12 ILE A 39 2.540 -7.019 5.244 1.00 0.00 H new ATOM 0 HD13 ILE A 39 2.277 -8.289 4.025 1.00 0.00 H new ATOM 604 N ILE A 40 4.770 -3.593 2.062 1.00 0.00 N ATOM 605 CA ILE A 40 4.947 -2.675 0.950 1.00 0.00 C ATOM 606 C ILE A 40 6.035 -1.658 1.302 1.00 0.00 C ATOM 607 O ILE A 40 7.073 -1.601 0.645 1.00 0.00 O ATOM 608 CB ILE A 40 3.611 -2.038 0.562 1.00 0.00 C ATOM 609 CG1 ILE A 40 2.741 -3.023 -0.222 1.00 0.00 C ATOM 610 CG2 ILE A 40 3.829 -0.731 -0.202 1.00 0.00 C ATOM 611 CD1 ILE A 40 1.293 -2.535 -0.297 1.00 0.00 C ATOM 0 H ILE A 40 3.978 -3.380 2.668 1.00 0.00 H new ATOM 0 HA ILE A 40 5.286 -3.211 0.064 1.00 0.00 H new ATOM 0 HB ILE A 40 3.072 -1.790 1.476 1.00 0.00 H new ATOM 0 HG12 ILE A 40 3.140 -3.145 -1.229 1.00 0.00 H new ATOM 0 HG13 ILE A 40 2.774 -4.003 0.255 1.00 0.00 H new ATOM 0 HG21 ILE A 40 2.864 -0.299 -0.466 1.00 0.00 H new ATOM 0 HG22 ILE A 40 4.381 -0.031 0.425 1.00 0.00 H new ATOM 0 HG23 ILE A 40 4.398 -0.931 -1.110 1.00 0.00 H new ATOM 0 HD11 ILE A 40 0.696 -3.253 -0.859 1.00 0.00 H new ATOM 0 HD12 ILE A 40 0.889 -2.437 0.711 1.00 0.00 H new ATOM 0 HD13 ILE A 40 1.261 -1.566 -0.796 1.00 0.00 H new ATOM 623 N CYS A 41 5.759 -0.880 2.338 1.00 0.00 N ATOM 624 CA CYS A 41 6.701 0.132 2.786 1.00 0.00 C ATOM 625 C CYS A 41 8.092 -0.501 2.850 1.00 0.00 C ATOM 626 O CYS A 41 9.057 0.060 2.333 1.00 0.00 O ATOM 627 CB CYS A 41 6.286 0.736 4.129 1.00 0.00 C ATOM 628 SG CYS A 41 5.453 2.343 3.863 1.00 0.00 S ATOM 0 H CYS A 41 4.897 -0.930 2.880 1.00 0.00 H new ATOM 0 HA CYS A 41 6.713 0.961 2.078 1.00 0.00 H new ATOM 0 HB2 CYS A 41 5.617 0.053 4.653 1.00 0.00 H new ATOM 0 HB3 CYS A 41 7.163 0.872 4.762 1.00 0.00 H new ATOM 0 HG CYS A 41 4.583 2.543 4.809 1.00 0.00 H new ATOM 634 N SER A 42 8.151 -1.661 3.488 1.00 0.00 N ATOM 635 CA SER A 42 9.408 -2.376 3.626 1.00 0.00 C ATOM 636 C SER A 42 10.075 -2.531 2.257 1.00 0.00 C ATOM 637 O SER A 42 11.232 -2.153 2.080 1.00 0.00 O ATOM 638 CB SER A 42 9.194 -3.747 4.270 1.00 0.00 C ATOM 639 OG SER A 42 10.418 -4.457 4.435 1.00 0.00 O ATOM 0 H SER A 42 7.348 -2.123 3.915 1.00 0.00 H new ATOM 0 HA SER A 42 10.061 -1.796 4.278 1.00 0.00 H new ATOM 0 HB2 SER A 42 8.715 -3.620 5.241 1.00 0.00 H new ATOM 0 HB3 SER A 42 8.514 -4.335 3.653 1.00 0.00 H new ATOM 0 HG SER A 42 10.239 -5.326 4.851 1.00 0.00 H new ATOM 645 N LYS A 43 9.316 -3.088 1.325 1.00 0.00 N ATOM 646 CA LYS A 43 9.819 -3.298 -0.022 1.00 0.00 C ATOM 647 C LYS A 43 10.369 -1.979 -0.568 1.00 0.00 C ATOM 648 O LYS A 43 11.350 -1.970 -1.310 1.00 0.00 O ATOM 649 CB LYS A 43 8.740 -3.926 -0.906 1.00 0.00 C ATOM 650 CG LYS A 43 9.001 -5.420 -1.112 1.00 0.00 C ATOM 651 CD LYS A 43 8.656 -6.216 0.148 1.00 0.00 C ATOM 652 CE LYS A 43 9.296 -7.605 0.112 1.00 0.00 C ATOM 653 NZ LYS A 43 10.772 -7.496 0.140 1.00 0.00 N ATOM 0 H LYS A 43 8.357 -3.400 1.476 1.00 0.00 H new ATOM 0 HA LYS A 43 10.645 -4.009 -0.013 1.00 0.00 H new ATOM 0 HB2 LYS A 43 7.761 -3.784 -0.448 1.00 0.00 H new ATOM 0 HB3 LYS A 43 8.716 -3.421 -1.872 1.00 0.00 H new ATOM 0 HG2 LYS A 43 8.407 -5.784 -1.950 1.00 0.00 H new ATOM 0 HG3 LYS A 43 10.048 -5.578 -1.371 1.00 0.00 H new ATOM 0 HD2 LYS A 43 9.001 -5.676 1.030 1.00 0.00 H new ATOM 0 HD3 LYS A 43 7.574 -6.313 0.236 1.00 0.00 H new ATOM 0 HE2 LYS A 43 8.953 -8.192 0.964 1.00 0.00 H new ATOM 0 HE3 LYS A 43 8.981 -8.134 -0.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 11.176 -8.363 0.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 11.129 -7.369 -0.829 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 11.049 -6.679 0.721 1.00 0.00 H new ATOM 667 N CYS A 44 9.713 -0.895 -0.179 1.00 0.00 N ATOM 668 CA CYS A 44 10.124 0.427 -0.619 1.00 0.00 C ATOM 669 C CYS A 44 10.927 1.081 0.507 1.00 0.00 C ATOM 670 O CYS A 44 11.069 2.302 0.545 1.00 0.00 O ATOM 671 CB CYS A 44 8.926 1.282 -1.037 1.00 0.00 C ATOM 672 SG CYS A 44 8.980 1.599 -2.838 1.00 0.00 S ATOM 0 H CYS A 44 8.900 -0.906 0.436 1.00 0.00 H new ATOM 0 HA CYS A 44 10.751 0.339 -1.506 1.00 0.00 H new ATOM 0 HB2 CYS A 44 7.998 0.774 -0.777 1.00 0.00 H new ATOM 0 HB3 CYS A 44 8.935 2.226 -0.493 1.00 0.00 H new ATOM 0 HG CYS A 44 8.926 2.880 -3.055 1.00 0.00 H new ATOM 678 N GLU A 45 11.433 0.239 1.396 1.00 0.00 N ATOM 679 CA GLU A 45 12.218 0.719 2.520 1.00 0.00 C ATOM 680 C GLU A 45 11.631 2.026 3.057 1.00 0.00 C ATOM 681 O GLU A 45 12.369 2.913 3.485 1.00 0.00 O ATOM 682 CB GLU A 45 13.686 0.898 2.127 1.00 0.00 C ATOM 683 CG GLU A 45 14.499 -0.354 2.462 1.00 0.00 C ATOM 684 CD GLU A 45 15.822 -0.370 1.692 1.00 0.00 C ATOM 685 OE1 GLU A 45 15.758 -0.557 0.458 1.00 0.00 O ATOM 686 OE2 GLU A 45 16.866 -0.196 2.356 1.00 0.00 O ATOM 0 H GLU A 45 11.314 -0.773 1.360 1.00 0.00 H new ATOM 0 HA GLU A 45 12.177 -0.028 3.313 1.00 0.00 H new ATOM 0 HB2 GLU A 45 13.758 1.108 1.060 1.00 0.00 H new ATOM 0 HB3 GLU A 45 14.104 1.758 2.650 1.00 0.00 H new ATOM 0 HG2 GLU A 45 14.697 -0.388 3.533 1.00 0.00 H new ATOM 0 HG3 GLU A 45 13.920 -1.244 2.217 1.00 0.00 H new ATOM 693 N PHE A 46 10.309 2.104 3.018 1.00 0.00 N ATOM 694 CA PHE A 46 9.615 3.288 3.496 1.00 0.00 C ATOM 695 C PHE A 46 9.197 3.126 4.959 1.00 0.00 C ATOM 696 O PHE A 46 9.170 2.013 5.480 1.00 0.00 O ATOM 697 CB PHE A 46 8.361 3.449 2.634 1.00 0.00 C ATOM 698 CG PHE A 46 8.520 4.444 1.482 1.00 0.00 C ATOM 699 CD1 PHE A 46 9.759 4.737 1.004 1.00 0.00 C ATOM 700 CD2 PHE A 46 7.423 5.034 0.937 1.00 0.00 C ATOM 701 CE1 PHE A 46 9.907 5.660 -0.065 1.00 0.00 C ATOM 702 CE2 PHE A 46 7.571 5.957 -0.132 1.00 0.00 C ATOM 703 CZ PHE A 46 8.810 6.251 -0.610 1.00 0.00 C ATOM 0 H PHE A 46 9.700 1.367 2.663 1.00 0.00 H new ATOM 0 HA PHE A 46 10.270 4.156 3.428 1.00 0.00 H new ATOM 0 HB2 PHE A 46 8.087 2.477 2.225 1.00 0.00 H new ATOM 0 HB3 PHE A 46 7.536 3.772 3.268 1.00 0.00 H new ATOM 0 HD1 PHE A 46 10.630 4.268 1.437 1.00 0.00 H new ATOM 0 HD2 PHE A 46 6.439 4.801 1.317 1.00 0.00 H new ATOM 0 HE1 PHE A 46 10.891 5.893 -0.445 1.00 0.00 H new ATOM 0 HE2 PHE A 46 6.700 6.426 -0.565 1.00 0.00 H new ATOM 0 HZ PHE A 46 8.923 6.954 -1.422 1.00 0.00 H new ATOM 713 N ASP A 47 8.881 4.253 5.579 1.00 0.00 N ATOM 714 CA ASP A 47 8.466 4.250 6.971 1.00 0.00 C ATOM 715 C ASP A 47 6.938 4.292 7.043 1.00 0.00 C ATOM 716 O ASP A 47 6.322 5.290 6.672 1.00 0.00 O ATOM 717 CB ASP A 47 9.007 5.476 7.710 1.00 0.00 C ATOM 718 CG ASP A 47 10.411 5.309 8.296 1.00 0.00 C ATOM 719 OD1 ASP A 47 11.364 5.282 7.487 1.00 0.00 O ATOM 720 OD2 ASP A 47 10.499 5.213 9.539 1.00 0.00 O ATOM 0 H ASP A 47 8.904 5.175 5.143 1.00 0.00 H new ATOM 0 HA ASP A 47 8.857 3.346 7.437 1.00 0.00 H new ATOM 0 HB2 ASP A 47 9.014 6.322 7.023 1.00 0.00 H new ATOM 0 HB3 ASP A 47 8.320 5.728 8.518 1.00 0.00 H new ATOM 725 N PRO A 48 6.355 3.166 7.536 1.00 0.00 N ATOM 726 CA PRO A 48 4.911 3.065 7.661 1.00 0.00 C ATOM 727 C PRO A 48 4.404 3.888 8.848 1.00 0.00 C ATOM 728 O PRO A 48 3.203 3.933 9.109 1.00 0.00 O ATOM 729 CB PRO A 48 4.632 1.578 7.808 1.00 0.00 C ATOM 730 CG PRO A 48 5.950 0.946 8.225 1.00 0.00 C ATOM 731 CD PRO A 48 7.052 1.965 7.985 1.00 0.00 C ATOM 0 HA PRO A 48 4.385 3.473 6.798 1.00 0.00 H new ATOM 0 HB2 PRO A 48 3.859 1.398 8.555 1.00 0.00 H new ATOM 0 HB3 PRO A 48 4.275 1.153 6.870 1.00 0.00 H new ATOM 0 HG2 PRO A 48 5.919 0.657 9.276 1.00 0.00 H new ATOM 0 HG3 PRO A 48 6.137 0.039 7.650 1.00 0.00 H new ATOM 0 HD2 PRO A 48 7.621 2.154 8.895 1.00 0.00 H new ATOM 0 HD3 PRO A 48 7.759 1.614 7.234 1.00 0.00 H new ATOM 739 N LEU A 49 5.346 4.520 9.533 1.00 0.00 N ATOM 740 CA LEU A 49 5.010 5.339 10.686 1.00 0.00 C ATOM 741 C LEU A 49 4.049 6.449 10.254 1.00 0.00 C ATOM 742 O LEU A 49 3.037 6.688 10.911 1.00 0.00 O ATOM 743 CB LEU A 49 6.280 5.855 11.364 1.00 0.00 C ATOM 744 CG LEU A 49 6.955 4.894 12.345 1.00 0.00 C ATOM 745 CD1 LEU A 49 6.585 5.235 13.790 1.00 0.00 C ATOM 746 CD2 LEU A 49 6.629 3.439 11.999 1.00 0.00 C ATOM 0 H LEU A 49 6.341 4.482 9.312 1.00 0.00 H new ATOM 0 HA LEU A 49 4.493 4.744 11.439 1.00 0.00 H new ATOM 0 HB2 LEU A 49 7.001 6.117 10.589 1.00 0.00 H new ATOM 0 HB3 LEU A 49 6.036 6.774 11.897 1.00 0.00 H new ATOM 0 HG LEU A 49 8.034 5.014 12.252 1.00 0.00 H new ATOM 0 HD11 LEU A 49 7.078 4.537 14.466 1.00 0.00 H new ATOM 0 HD12 LEU A 49 6.908 6.251 14.018 1.00 0.00 H new ATOM 0 HD13 LEU A 49 5.505 5.161 13.916 1.00 0.00 H new ATOM 0 HD21 LEU A 49 7.121 2.777 12.711 1.00 0.00 H new ATOM 0 HD22 LEU A 49 5.551 3.287 12.047 1.00 0.00 H new ATOM 0 HD23 LEU A 49 6.983 3.216 10.992 1.00 0.00 H new ATOM 758 N HIS A 50 4.400 7.097 9.153 1.00 0.00 N ATOM 759 CA HIS A 50 3.581 8.176 8.627 1.00 0.00 C ATOM 760 C HIS A 50 3.409 7.999 7.117 1.00 0.00 C ATOM 761 O HIS A 50 3.773 8.880 6.339 1.00 0.00 O ATOM 762 CB HIS A 50 4.171 9.537 9.001 1.00 0.00 C ATOM 763 CG HIS A 50 5.677 9.547 9.103 1.00 0.00 C ATOM 764 ND1 HIS A 50 6.364 10.367 9.981 1.00 0.00 N ATOM 765 CD2 HIS A 50 6.621 8.830 8.428 1.00 0.00 C ATOM 766 CE1 HIS A 50 7.661 10.145 9.833 1.00 0.00 C ATOM 767 NE2 HIS A 50 7.819 9.192 8.870 1.00 0.00 N ATOM 0 H HIS A 50 5.240 6.896 8.611 1.00 0.00 H new ATOM 0 HA HIS A 50 2.589 8.139 9.078 1.00 0.00 H new ATOM 0 HB2 HIS A 50 3.863 10.272 8.257 1.00 0.00 H new ATOM 0 HB3 HIS A 50 3.750 9.854 9.955 1.00 0.00 H new ATOM 0 HD2 HIS A 50 6.426 8.093 7.663 1.00 0.00 H new ATOM 0 HE1 HIS A 50 8.455 10.633 10.379 1.00 0.00 H new ATOM 0 HE2 HIS A 50 8.711 8.819 8.544 1.00 0.00 H new ATOM 775 N THR A 51 2.853 6.854 6.747 1.00 0.00 N ATOM 776 CA THR A 51 2.628 6.551 5.344 1.00 0.00 C ATOM 777 C THR A 51 1.128 6.497 5.044 1.00 0.00 C ATOM 778 O THR A 51 0.336 6.094 5.894 1.00 0.00 O ATOM 779 CB THR A 51 3.359 5.247 5.019 1.00 0.00 C ATOM 780 OG1 THR A 51 4.729 5.630 4.931 1.00 0.00 O ATOM 781 CG2 THR A 51 3.028 4.723 3.620 1.00 0.00 C ATOM 0 H THR A 51 2.552 6.126 7.394 1.00 0.00 H new ATOM 0 HA THR A 51 3.029 7.335 4.701 1.00 0.00 H new ATOM 0 HB THR A 51 3.100 4.491 5.760 1.00 0.00 H new ATOM 0 HG1 THR A 51 5.100 5.727 5.833 1.00 0.00 H new ATOM 0 HG21 THR A 51 3.573 3.796 3.440 1.00 0.00 H new ATOM 0 HG22 THR A 51 1.957 4.534 3.546 1.00 0.00 H new ATOM 0 HG23 THR A 51 3.318 5.465 2.876 1.00 0.00 H new ATOM 789 N LEU A 52 0.785 6.910 3.833 1.00 0.00 N ATOM 790 CA LEU A 52 -0.605 6.914 3.411 1.00 0.00 C ATOM 791 C LEU A 52 -0.751 6.072 2.142 1.00 0.00 C ATOM 792 O LEU A 52 0.231 5.817 1.445 1.00 0.00 O ATOM 793 CB LEU A 52 -1.115 8.349 3.258 1.00 0.00 C ATOM 794 CG LEU A 52 -1.986 8.877 4.399 1.00 0.00 C ATOM 795 CD1 LEU A 52 -2.607 10.227 4.036 1.00 0.00 C ATOM 796 CD2 LEU A 52 -3.044 7.849 4.802 1.00 0.00 C ATOM 0 H LEU A 52 1.445 7.244 3.131 1.00 0.00 H new ATOM 0 HA LEU A 52 -1.235 6.455 4.173 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -0.255 9.009 3.149 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -1.686 8.414 2.332 1.00 0.00 H new ATOM 0 HG LEU A 52 -1.348 9.040 5.268 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -3.221 10.580 4.865 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -1.816 10.950 3.838 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -3.227 10.115 3.147 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -3.649 8.250 5.615 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -3.684 7.631 3.947 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -2.554 6.933 5.132 1.00 0.00 H new ATOM 808 N LEU A 53 -1.983 5.662 1.880 1.00 0.00 N ATOM 809 CA LEU A 53 -2.270 4.853 0.707 1.00 0.00 C ATOM 810 C LEU A 53 -3.312 5.566 -0.156 1.00 0.00 C ATOM 811 O LEU A 53 -4.495 5.584 0.181 1.00 0.00 O ATOM 812 CB LEU A 53 -2.677 3.437 1.120 1.00 0.00 C ATOM 813 CG LEU A 53 -1.617 2.625 1.866 1.00 0.00 C ATOM 814 CD1 LEU A 53 -2.151 1.242 2.244 1.00 0.00 C ATOM 815 CD2 LEU A 53 -0.322 2.538 1.057 1.00 0.00 C ATOM 0 H LEU A 53 -2.795 5.875 2.460 1.00 0.00 H new ATOM 0 HA LEU A 53 -1.375 4.737 0.095 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -3.564 3.504 1.750 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -2.963 2.887 0.224 1.00 0.00 H new ATOM 0 HG LEU A 53 -1.381 3.144 2.795 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -1.377 0.685 2.773 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -3.023 1.352 2.888 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -2.433 0.701 1.340 1.00 0.00 H new ATOM 0 HD21 LEU A 53 0.414 1.955 1.611 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -0.522 2.055 0.101 1.00 0.00 H new ATOM 0 HD23 LEU A 53 0.066 3.542 0.883 1.00 0.00 H new ATOM 827 N LEU A 54 -2.836 6.136 -1.253 1.00 0.00 N ATOM 828 CA LEU A 54 -3.712 6.849 -2.167 1.00 0.00 C ATOM 829 C LEU A 54 -4.069 5.934 -3.341 1.00 0.00 C ATOM 830 O LEU A 54 -3.425 4.908 -3.552 1.00 0.00 O ATOM 831 CB LEU A 54 -3.079 8.175 -2.592 1.00 0.00 C ATOM 832 CG LEU A 54 -2.663 9.113 -1.457 1.00 0.00 C ATOM 833 CD1 LEU A 54 -3.883 9.607 -0.678 1.00 0.00 C ATOM 834 CD2 LEU A 54 -1.632 8.446 -0.545 1.00 0.00 C ATOM 0 H LEU A 54 -1.854 6.119 -1.530 1.00 0.00 H new ATOM 0 HA LEU A 54 -4.646 7.113 -1.671 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -2.199 7.957 -3.198 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -3.785 8.703 -3.233 1.00 0.00 H new ATOM 0 HG LEU A 54 -2.186 9.989 -1.896 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -3.559 10.272 0.123 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -4.550 10.147 -1.350 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -4.411 8.755 -0.250 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -1.353 9.134 0.253 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -2.060 7.542 -0.112 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -0.747 8.186 -1.126 1.00 0.00 H new ATOM 846 N LYS A 55 -5.096 6.340 -4.074 1.00 0.00 N ATOM 847 CA LYS A 55 -5.546 5.570 -5.221 1.00 0.00 C ATOM 848 C LYS A 55 -4.358 5.296 -6.145 1.00 0.00 C ATOM 849 O LYS A 55 -3.967 4.146 -6.335 1.00 0.00 O ATOM 850 CB LYS A 55 -6.715 6.275 -5.914 1.00 0.00 C ATOM 851 CG LYS A 55 -7.839 6.577 -4.921 1.00 0.00 C ATOM 852 CD LYS A 55 -8.986 5.575 -5.071 1.00 0.00 C ATOM 853 CE LYS A 55 -9.823 5.882 -6.314 1.00 0.00 C ATOM 854 NZ LYS A 55 -11.209 6.233 -5.933 1.00 0.00 N ATOM 0 H LYS A 55 -5.629 7.191 -3.896 1.00 0.00 H new ATOM 0 HA LYS A 55 -5.931 4.602 -4.902 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -6.367 7.203 -6.368 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -7.096 5.648 -6.720 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -7.450 6.540 -3.903 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -8.211 7.588 -5.084 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -8.584 4.564 -5.139 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -9.620 5.607 -4.185 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -9.373 6.705 -6.868 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -9.830 5.017 -6.977 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -11.763 6.438 -6.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -11.641 5.436 -5.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -11.198 7.072 -5.318 1.00 0.00 H new ATOM 868 N ASP A 56 -3.817 6.373 -6.695 1.00 0.00 N ATOM 869 CA ASP A 56 -2.681 6.264 -7.595 1.00 0.00 C ATOM 870 C ASP A 56 -1.929 7.596 -7.625 1.00 0.00 C ATOM 871 O ASP A 56 -2.242 8.506 -6.859 1.00 0.00 O ATOM 872 CB ASP A 56 -3.136 5.946 -9.020 1.00 0.00 C ATOM 873 CG ASP A 56 -4.363 5.037 -9.120 1.00 0.00 C ATOM 874 OD1 ASP A 56 -5.450 5.505 -8.719 1.00 0.00 O ATOM 875 OD2 ASP A 56 -4.186 3.894 -9.595 1.00 0.00 O ATOM 0 H ASP A 56 -4.144 7.326 -6.535 1.00 0.00 H new ATOM 0 HA ASP A 56 -2.040 5.460 -7.233 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -3.354 6.883 -9.533 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -2.310 5.475 -9.553 1.00 0.00 H new ATOM 880 N TYR A 57 -0.952 7.667 -8.517 1.00 0.00 N ATOM 881 CA TYR A 57 -0.153 8.873 -8.656 1.00 0.00 C ATOM 882 C TYR A 57 -1.029 10.071 -9.028 1.00 0.00 C ATOM 883 O TYR A 57 -0.824 11.175 -8.525 1.00 0.00 O ATOM 884 CB TYR A 57 0.827 8.599 -9.798 1.00 0.00 C ATOM 885 CG TYR A 57 1.337 9.861 -10.496 1.00 0.00 C ATOM 886 CD1 TYR A 57 0.652 10.376 -11.578 1.00 0.00 C ATOM 887 CD2 TYR A 57 2.483 10.485 -10.045 1.00 0.00 C ATOM 888 CE1 TYR A 57 1.132 11.564 -12.235 1.00 0.00 C ATOM 889 CE2 TYR A 57 2.963 11.673 -10.702 1.00 0.00 C ATOM 890 CZ TYR A 57 2.264 12.154 -11.765 1.00 0.00 C ATOM 891 OH TYR A 57 2.717 13.276 -12.386 1.00 0.00 O ATOM 0 H TYR A 57 -0.696 6.910 -9.150 1.00 0.00 H new ATOM 0 HA TYR A 57 0.352 9.110 -7.719 1.00 0.00 H new ATOM 0 HB2 TYR A 57 1.679 8.043 -9.407 1.00 0.00 H new ATOM 0 HB3 TYR A 57 0.341 7.960 -10.535 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -0.244 9.888 -11.932 1.00 0.00 H new ATOM 0 HD2 TYR A 57 3.020 10.082 -9.199 1.00 0.00 H new ATOM 0 HE1 TYR A 57 0.605 11.977 -13.082 1.00 0.00 H new ATOM 0 HE2 TYR A 57 3.858 12.171 -10.358 1.00 0.00 H new ATOM 0 HH TYR A 57 3.533 13.589 -11.942 1.00 0.00 H new ATOM 901 N GLN A 58 -1.987 9.813 -9.906 1.00 0.00 N ATOM 902 CA GLN A 58 -2.895 10.857 -10.351 1.00 0.00 C ATOM 903 C GLN A 58 -3.808 11.292 -9.203 1.00 0.00 C ATOM 904 O GLN A 58 -3.635 12.373 -8.643 1.00 0.00 O ATOM 905 CB GLN A 58 -3.714 10.393 -11.557 1.00 0.00 C ATOM 906 CG GLN A 58 -3.909 11.533 -12.559 1.00 0.00 C ATOM 907 CD GLN A 58 -5.380 11.670 -12.955 1.00 0.00 C ATOM 908 OE1 GLN A 58 -5.944 10.837 -13.645 1.00 0.00 O ATOM 909 NE2 GLN A 58 -5.968 12.765 -12.482 1.00 0.00 N ATOM 0 H GLN A 58 -2.154 8.896 -10.321 1.00 0.00 H new ATOM 0 HA GLN A 58 -2.303 11.717 -10.664 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -3.210 9.558 -12.044 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -4.685 10.028 -11.223 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -3.557 12.468 -12.124 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -3.305 11.348 -13.448 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -5.438 13.422 -11.910 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -6.949 12.948 -12.691 1.00 0.00 H new ATOM 918 N SER A 59 -4.760 10.426 -8.886 1.00 0.00 N ATOM 919 CA SER A 59 -5.700 10.708 -7.815 1.00 0.00 C ATOM 920 C SER A 59 -4.943 11.001 -6.518 1.00 0.00 C ATOM 921 O SER A 59 -3.744 10.743 -6.423 1.00 0.00 O ATOM 922 CB SER A 59 -6.669 9.541 -7.612 1.00 0.00 C ATOM 923 OG SER A 59 -7.789 9.618 -8.490 1.00 0.00 O ATOM 0 H SER A 59 -4.900 9.530 -9.352 1.00 0.00 H new ATOM 0 HA SER A 59 -6.283 11.586 -8.094 1.00 0.00 H new ATOM 0 HB2 SER A 59 -6.143 8.600 -7.777 1.00 0.00 H new ATOM 0 HB3 SER A 59 -7.018 9.535 -6.579 1.00 0.00 H new ATOM 0 HG SER A 59 -8.383 8.855 -8.331 1.00 0.00 H new ATOM 929 N GLN A 60 -5.675 11.535 -5.551 1.00 0.00 N ATOM 930 CA GLN A 60 -5.088 11.865 -4.263 1.00 0.00 C ATOM 931 C GLN A 60 -6.006 11.408 -3.128 1.00 0.00 C ATOM 932 O GLN A 60 -5.830 11.816 -1.981 1.00 0.00 O ATOM 933 CB GLN A 60 -4.795 13.364 -4.163 1.00 0.00 C ATOM 934 CG GLN A 60 -3.600 13.749 -5.037 1.00 0.00 C ATOM 935 CD GLN A 60 -3.647 15.232 -5.408 1.00 0.00 C ATOM 936 OE1 GLN A 60 -4.683 15.782 -5.744 1.00 0.00 O ATOM 937 NE2 GLN A 60 -2.471 15.848 -5.328 1.00 0.00 N ATOM 0 H GLN A 60 -6.669 11.747 -5.634 1.00 0.00 H new ATOM 0 HA GLN A 60 -4.140 11.336 -4.171 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -5.673 13.931 -4.471 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -4.592 13.630 -3.126 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -2.673 13.532 -4.507 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -3.598 13.144 -5.943 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -1.642 15.329 -5.040 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -2.398 16.840 -5.555 1.00 0.00 H new ATOM 946 N GLU A 61 -6.965 10.569 -3.487 1.00 0.00 N ATOM 947 CA GLU A 61 -7.911 10.052 -2.513 1.00 0.00 C ATOM 948 C GLU A 61 -7.274 8.922 -1.702 1.00 0.00 C ATOM 949 O GLU A 61 -6.637 8.033 -2.263 1.00 0.00 O ATOM 950 CB GLU A 61 -9.197 9.580 -3.194 1.00 0.00 C ATOM 951 CG GLU A 61 -10.430 10.176 -2.511 1.00 0.00 C ATOM 952 CD GLU A 61 -11.220 11.059 -3.480 1.00 0.00 C ATOM 953 OE1 GLU A 61 -12.005 10.483 -4.262 1.00 0.00 O ATOM 954 OE2 GLU A 61 -11.019 12.292 -3.415 1.00 0.00 O ATOM 0 H GLU A 61 -7.108 10.234 -4.440 1.00 0.00 H new ATOM 0 HA GLU A 61 -8.176 10.859 -1.830 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -9.184 9.869 -4.245 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -9.250 8.492 -3.164 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -11.069 9.374 -2.141 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -10.123 10.764 -1.646 1.00 0.00 H new ATOM 961 N PRO A 62 -7.474 8.996 -0.358 1.00 0.00 N ATOM 962 CA PRO A 62 -6.926 7.990 0.536 1.00 0.00 C ATOM 963 C PRO A 62 -7.726 6.689 0.454 1.00 0.00 C ATOM 964 O PRO A 62 -8.954 6.714 0.392 1.00 0.00 O ATOM 965 CB PRO A 62 -6.967 8.626 1.916 1.00 0.00 C ATOM 966 CG PRO A 62 -7.958 9.775 1.816 1.00 0.00 C ATOM 967 CD PRO A 62 -8.223 10.035 0.342 1.00 0.00 C ATOM 0 HA PRO A 62 -5.907 7.704 0.273 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -7.281 7.904 2.670 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -5.981 8.985 2.210 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -8.885 9.526 2.332 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -7.557 10.668 2.295 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -9.287 9.977 0.115 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -7.888 11.030 0.049 1.00 0.00 H new ATOM 975 N LEU A 63 -6.997 5.582 0.455 1.00 0.00 N ATOM 976 CA LEU A 63 -7.624 4.273 0.381 1.00 0.00 C ATOM 977 C LEU A 63 -7.891 3.760 1.797 1.00 0.00 C ATOM 978 O LEU A 63 -7.258 4.206 2.753 1.00 0.00 O ATOM 979 CB LEU A 63 -6.779 3.322 -0.469 1.00 0.00 C ATOM 980 CG LEU A 63 -6.296 3.872 -1.812 1.00 0.00 C ATOM 981 CD1 LEU A 63 -4.953 3.255 -2.206 1.00 0.00 C ATOM 982 CD2 LEU A 63 -7.357 3.678 -2.898 1.00 0.00 C ATOM 0 H LEU A 63 -5.978 5.565 0.506 1.00 0.00 H new ATOM 0 HA LEU A 63 -8.589 4.340 -0.121 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -5.907 3.023 0.113 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -7.361 2.420 -0.657 1.00 0.00 H new ATOM 0 HG LEU A 63 -6.138 4.945 -1.705 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -4.632 3.663 -3.165 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -4.208 3.488 -1.445 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -5.060 2.174 -2.290 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -6.988 4.078 -3.843 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -7.571 2.615 -3.012 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -8.269 4.203 -2.613 1.00 0.00 H new ATOM 994 N ASP A 64 -8.830 2.829 1.888 1.00 0.00 N ATOM 995 CA ASP A 64 -9.189 2.251 3.171 1.00 0.00 C ATOM 996 C ASP A 64 -8.368 0.980 3.400 1.00 0.00 C ATOM 997 O ASP A 64 -8.395 0.063 2.582 1.00 0.00 O ATOM 998 CB ASP A 64 -10.670 1.869 3.209 1.00 0.00 C ATOM 999 CG ASP A 64 -11.548 2.770 4.080 1.00 0.00 C ATOM 1000 OD1 ASP A 64 -12.004 3.805 3.547 1.00 0.00 O ATOM 1001 OD2 ASP A 64 -11.742 2.405 5.259 1.00 0.00 O ATOM 0 H ASP A 64 -9.353 2.461 1.093 1.00 0.00 H new ATOM 0 HA ASP A 64 -8.988 2.994 3.943 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -11.059 1.882 2.191 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -10.756 0.844 3.570 1.00 0.00 H new ATOM 1006 N LEU A 65 -7.656 0.967 4.518 1.00 0.00 N ATOM 1007 CA LEU A 65 -6.828 -0.176 4.865 1.00 0.00 C ATOM 1008 C LEU A 65 -7.704 -1.427 4.949 1.00 0.00 C ATOM 1009 O LEU A 65 -7.463 -2.407 4.245 1.00 0.00 O ATOM 1010 CB LEU A 65 -6.034 0.106 6.142 1.00 0.00 C ATOM 1011 CG LEU A 65 -5.196 1.387 6.142 1.00 0.00 C ATOM 1012 CD1 LEU A 65 -4.848 1.814 7.569 1.00 0.00 C ATOM 1013 CD2 LEU A 65 -3.949 1.226 5.271 1.00 0.00 C ATOM 0 H LEU A 65 -7.636 1.730 5.195 1.00 0.00 H new ATOM 0 HA LEU A 65 -6.085 -0.358 4.089 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -6.732 0.152 6.978 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -5.370 -0.739 6.328 1.00 0.00 H new ATOM 0 HG LEU A 65 -5.793 2.186 5.704 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -4.252 2.726 7.541 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -5.766 1.997 8.128 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -4.278 1.023 8.056 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -3.371 2.150 5.288 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -3.339 0.409 5.657 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -4.247 1.004 4.246 1.00 0.00 H new ATOM 1025 N THR A 66 -8.703 -1.354 5.817 1.00 0.00 N ATOM 1026 CA THR A 66 -9.616 -2.469 6.002 1.00 0.00 C ATOM 1027 C THR A 66 -9.940 -3.122 4.657 1.00 0.00 C ATOM 1028 O THR A 66 -10.180 -4.327 4.590 1.00 0.00 O ATOM 1029 CB THR A 66 -10.852 -1.950 6.739 1.00 0.00 C ATOM 1030 OG1 THR A 66 -11.820 -2.981 6.563 1.00 0.00 O ATOM 1031 CG2 THR A 66 -11.475 -0.733 6.053 1.00 0.00 C ATOM 0 H THR A 66 -8.900 -0.540 6.400 1.00 0.00 H new ATOM 0 HA THR A 66 -9.164 -3.254 6.608 1.00 0.00 H new ATOM 0 HB THR A 66 -10.581 -1.691 7.763 1.00 0.00 H new ATOM 0 HG1 THR A 66 -12.654 -2.727 7.012 1.00 0.00 H new ATOM 0 HG21 THR A 66 -12.348 -0.405 6.617 1.00 0.00 H new ATOM 0 HG22 THR A 66 -10.745 0.075 6.012 1.00 0.00 H new ATOM 0 HG23 THR A 66 -11.776 -1.001 5.040 1.00 0.00 H new ATOM 1039 N LYS A 67 -9.937 -2.299 3.619 1.00 0.00 N ATOM 1040 CA LYS A 67 -10.228 -2.781 2.280 1.00 0.00 C ATOM 1041 C LYS A 67 -8.950 -3.350 1.659 1.00 0.00 C ATOM 1042 O LYS A 67 -7.863 -2.814 1.867 1.00 0.00 O ATOM 1043 CB LYS A 67 -10.881 -1.679 1.443 1.00 0.00 C ATOM 1044 CG LYS A 67 -12.107 -1.105 2.155 1.00 0.00 C ATOM 1045 CD LYS A 67 -13.400 -1.594 1.500 1.00 0.00 C ATOM 1046 CE LYS A 67 -14.060 -2.689 2.340 1.00 0.00 C ATOM 1047 NZ LYS A 67 -15.243 -2.155 3.051 1.00 0.00 N ATOM 0 H LYS A 67 -9.737 -1.300 3.679 1.00 0.00 H new ATOM 0 HA LYS A 67 -10.954 -3.593 2.317 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -10.159 -0.884 1.255 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -11.174 -2.079 0.472 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -12.093 -1.399 3.205 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -12.071 -0.016 2.128 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -14.089 -0.758 1.379 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -13.184 -1.976 0.502 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -14.358 -3.518 1.698 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -13.344 -3.085 3.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -15.679 -2.911 3.616 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -14.950 -1.379 3.678 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -15.933 -1.799 2.359 1.00 0.00 H new ATOM 1061 N SER A 68 -9.124 -4.427 0.908 1.00 0.00 N ATOM 1062 CA SER A 68 -7.999 -5.074 0.255 1.00 0.00 C ATOM 1063 C SER A 68 -8.081 -4.865 -1.258 1.00 0.00 C ATOM 1064 O SER A 68 -9.088 -4.374 -1.767 1.00 0.00 O ATOM 1065 CB SER A 68 -7.956 -6.568 0.583 1.00 0.00 C ATOM 1066 OG SER A 68 -8.683 -7.344 -0.365 1.00 0.00 O ATOM 0 H SER A 68 -10.028 -4.868 0.737 1.00 0.00 H new ATOM 0 HA SER A 68 -7.081 -4.621 0.629 1.00 0.00 H new ATOM 0 HB2 SER A 68 -6.919 -6.904 0.608 1.00 0.00 H new ATOM 0 HB3 SER A 68 -8.368 -6.733 1.579 1.00 0.00 H new ATOM 0 HG SER A 68 -8.084 -8.001 -0.778 1.00 0.00 H new ATOM 1072 N LEU A 69 -7.008 -5.248 -1.936 1.00 0.00 N ATOM 1073 CA LEU A 69 -6.947 -5.109 -3.381 1.00 0.00 C ATOM 1074 C LEU A 69 -8.215 -5.699 -4.000 1.00 0.00 C ATOM 1075 O LEU A 69 -8.658 -5.255 -5.059 1.00 0.00 O ATOM 1076 CB LEU A 69 -5.654 -5.722 -3.923 1.00 0.00 C ATOM 1077 CG LEU A 69 -4.376 -4.916 -3.682 1.00 0.00 C ATOM 1078 CD1 LEU A 69 -4.332 -3.677 -4.579 1.00 0.00 C ATOM 1079 CD2 LEU A 69 -4.225 -4.558 -2.202 1.00 0.00 C ATOM 0 H LEU A 69 -6.175 -5.654 -1.511 1.00 0.00 H new ATOM 0 HA LEU A 69 -6.916 -4.056 -3.662 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -5.528 -6.708 -3.476 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -5.768 -5.871 -4.997 1.00 0.00 H new ATOM 0 HG LEU A 69 -3.523 -5.539 -3.951 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -3.414 -3.122 -4.388 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -4.360 -3.984 -5.625 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -5.191 -3.042 -4.364 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -3.309 -3.985 -2.058 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -5.080 -3.962 -1.883 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -4.179 -5.472 -1.610 1.00 0.00 H new ATOM 1091 N ASN A 70 -8.764 -6.691 -3.314 1.00 0.00 N ATOM 1092 CA ASN A 70 -9.973 -7.346 -3.784 1.00 0.00 C ATOM 1093 C ASN A 70 -11.168 -6.415 -3.572 1.00 0.00 C ATOM 1094 O ASN A 70 -11.941 -6.171 -4.498 1.00 0.00 O ATOM 1095 CB ASN A 70 -10.236 -8.638 -3.007 1.00 0.00 C ATOM 1096 CG ASN A 70 -9.755 -9.859 -3.793 1.00 0.00 C ATOM 1097 OD1 ASN A 70 -9.882 -9.940 -5.004 1.00 0.00 O ATOM 1098 ND2 ASN A 70 -9.196 -10.802 -3.039 1.00 0.00 N ATOM 0 H ASN A 70 -8.394 -7.057 -2.437 1.00 0.00 H new ATOM 0 HA ASN A 70 -9.841 -7.580 -4.840 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -9.727 -8.597 -2.044 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -11.302 -8.731 -2.800 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -8.842 -11.656 -3.470 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -9.121 -10.671 -2.030 1.00 0.00 H new ATOM 1105 N ASP A 71 -11.283 -5.920 -2.349 1.00 0.00 N ATOM 1106 CA ASP A 71 -12.371 -5.021 -2.004 1.00 0.00 C ATOM 1107 C ASP A 71 -12.279 -3.761 -2.868 1.00 0.00 C ATOM 1108 O ASP A 71 -13.255 -3.369 -3.506 1.00 0.00 O ATOM 1109 CB ASP A 71 -12.289 -4.594 -0.537 1.00 0.00 C ATOM 1110 CG ASP A 71 -12.268 -5.746 0.470 1.00 0.00 C ATOM 1111 OD1 ASP A 71 -11.381 -6.614 0.320 1.00 0.00 O ATOM 1112 OD2 ASP A 71 -13.138 -5.731 1.367 1.00 0.00 O ATOM 0 H ASP A 71 -10.640 -6.125 -1.584 1.00 0.00 H new ATOM 0 HA ASP A 71 -13.310 -5.547 -2.175 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -11.390 -3.993 -0.398 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -13.140 -3.951 -0.313 1.00 0.00 H new ATOM 1117 N LEU A 72 -11.097 -3.162 -2.861 1.00 0.00 N ATOM 1118 CA LEU A 72 -10.865 -1.956 -3.636 1.00 0.00 C ATOM 1119 C LEU A 72 -10.995 -2.278 -5.126 1.00 0.00 C ATOM 1120 O LEU A 72 -11.744 -1.618 -5.845 1.00 0.00 O ATOM 1121 CB LEU A 72 -9.522 -1.326 -3.259 1.00 0.00 C ATOM 1122 CG LEU A 72 -9.444 -0.697 -1.866 1.00 0.00 C ATOM 1123 CD1 LEU A 72 -7.995 -0.610 -1.384 1.00 0.00 C ATOM 1124 CD2 LEU A 72 -10.140 0.666 -1.841 1.00 0.00 C ATOM 0 H LEU A 72 -10.290 -3.490 -2.331 1.00 0.00 H new ATOM 0 HA LEU A 72 -11.620 -1.205 -3.405 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -8.750 -2.092 -3.334 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -9.283 -0.559 -3.996 1.00 0.00 H new ATOM 0 HG LEU A 72 -9.976 -1.344 -1.168 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -7.968 -0.159 -0.392 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -7.566 -1.611 -1.340 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -7.417 0.002 -2.076 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -10.070 1.092 -0.840 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -9.657 1.334 -2.554 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -11.189 0.544 -2.111 1.00 0.00 H new ATOM 1136 N GLY A 73 -10.255 -3.294 -5.546 1.00 0.00 N ATOM 1137 CA GLY A 73 -10.279 -3.712 -6.937 1.00 0.00 C ATOM 1138 C GLY A 73 -9.186 -3.005 -7.741 1.00 0.00 C ATOM 1139 O GLY A 73 -9.283 -2.892 -8.962 1.00 0.00 O ATOM 0 H GLY A 73 -9.635 -3.840 -4.947 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -10.140 -4.791 -6.999 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -11.255 -3.491 -7.370 1.00 0.00 H new ATOM 1143 N LEU A 74 -8.170 -2.547 -7.024 1.00 0.00 N ATOM 1144 CA LEU A 74 -7.060 -1.854 -7.655 1.00 0.00 C ATOM 1145 C LEU A 74 -5.837 -2.773 -7.677 1.00 0.00 C ATOM 1146 O LEU A 74 -5.758 -3.726 -6.904 1.00 0.00 O ATOM 1147 CB LEU A 74 -6.807 -0.510 -6.969 1.00 0.00 C ATOM 1148 CG LEU A 74 -7.995 0.453 -6.923 1.00 0.00 C ATOM 1149 CD1 LEU A 74 -7.656 1.703 -6.108 1.00 0.00 C ATOM 1150 CD2 LEU A 74 -8.474 0.800 -8.333 1.00 0.00 C ATOM 0 H LEU A 74 -8.093 -2.643 -6.011 1.00 0.00 H new ATOM 0 HA LEU A 74 -7.300 -1.616 -8.691 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -6.480 -0.702 -5.947 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -5.982 -0.014 -7.479 1.00 0.00 H new ATOM 0 HG LEU A 74 -8.821 -0.047 -6.417 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -8.517 2.371 -6.091 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -7.401 1.414 -5.088 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -6.808 2.215 -6.563 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -9.319 1.486 -8.272 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -7.663 1.272 -8.887 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -8.782 -0.110 -8.847 1.00 0.00 H new ATOM 1162 N ARG A 75 -4.913 -2.454 -8.571 1.00 0.00 N ATOM 1163 CA ARG A 75 -3.697 -3.239 -8.704 1.00 0.00 C ATOM 1164 C ARG A 75 -2.467 -2.345 -8.535 1.00 0.00 C ATOM 1165 O ARG A 75 -1.345 -2.768 -8.810 1.00 0.00 O ATOM 1166 CB ARG A 75 -3.634 -3.929 -10.068 1.00 0.00 C ATOM 1167 CG ARG A 75 -4.326 -5.293 -10.024 1.00 0.00 C ATOM 1168 CD ARG A 75 -3.482 -6.312 -9.256 1.00 0.00 C ATOM 1169 NE ARG A 75 -3.448 -7.597 -9.989 1.00 0.00 N ATOM 1170 CZ ARG A 75 -4.402 -8.535 -9.906 1.00 0.00 C ATOM 1171 NH1 ARG A 75 -5.470 -8.336 -9.122 1.00 0.00 N ATOM 1172 NH2 ARG A 75 -4.287 -9.671 -10.608 1.00 0.00 N ATOM 0 H ARG A 75 -4.982 -1.662 -9.211 1.00 0.00 H new ATOM 0 HA ARG A 75 -3.707 -4.001 -7.924 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -4.110 -3.300 -10.820 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -2.594 -4.054 -10.369 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -5.303 -5.194 -9.550 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -4.499 -5.650 -11.039 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -2.469 -5.932 -9.125 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -3.897 -6.463 -8.260 1.00 0.00 H new ATOM 0 HE ARG A 75 -2.649 -7.780 -10.595 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -5.557 -7.471 -8.589 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -6.196 -9.050 -9.059 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -3.474 -9.821 -11.205 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -5.013 -10.385 -10.545 1.00 0.00 H new ATOM 1186 N GLU A 76 -2.719 -1.125 -8.083 1.00 0.00 N ATOM 1187 CA GLU A 76 -1.646 -0.168 -7.874 1.00 0.00 C ATOM 1188 C GLU A 76 -2.047 0.855 -6.809 1.00 0.00 C ATOM 1189 O GLU A 76 -3.232 1.128 -6.621 1.00 0.00 O ATOM 1190 CB GLU A 76 -1.266 0.524 -9.184 1.00 0.00 C ATOM 1191 CG GLU A 76 -2.379 1.463 -9.651 1.00 0.00 C ATOM 1192 CD GLU A 76 -3.169 0.845 -10.807 1.00 0.00 C ATOM 1193 OE1 GLU A 76 -2.529 0.556 -11.841 1.00 0.00 O ATOM 1194 OE2 GLU A 76 -4.394 0.674 -10.630 1.00 0.00 O ATOM 0 H GLU A 76 -3.651 -0.778 -7.856 1.00 0.00 H new ATOM 0 HA GLU A 76 -0.768 -0.708 -7.519 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -0.343 1.088 -9.047 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -1.071 -0.225 -9.952 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -3.051 1.677 -8.820 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -1.949 2.414 -9.967 1.00 0.00 H new ATOM 1201 N LEU A 77 -1.037 1.394 -6.141 1.00 0.00 N ATOM 1202 CA LEU A 77 -1.270 2.381 -5.101 1.00 0.00 C ATOM 1203 C LEU A 77 -0.011 3.230 -4.918 1.00 0.00 C ATOM 1204 O LEU A 77 1.044 2.906 -5.462 1.00 0.00 O ATOM 1205 CB LEU A 77 -1.746 1.702 -3.815 1.00 0.00 C ATOM 1206 CG LEU A 77 -0.985 0.441 -3.401 1.00 0.00 C ATOM 1207 CD1 LEU A 77 -0.158 0.690 -2.137 1.00 0.00 C ATOM 1208 CD2 LEU A 77 -1.936 -0.746 -3.238 1.00 0.00 C ATOM 0 H LEU A 77 -0.056 1.166 -6.300 1.00 0.00 H new ATOM 0 HA LEU A 77 -2.072 3.059 -5.392 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -1.682 2.424 -3.001 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -2.799 1.445 -3.932 1.00 0.00 H new ATOM 0 HG LEU A 77 -0.287 0.187 -4.199 1.00 0.00 H new ATOM 0 HD11 LEU A 77 0.373 -0.222 -1.864 1.00 0.00 H new ATOM 0 HD12 LEU A 77 0.562 1.487 -2.324 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -0.819 0.983 -1.321 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -1.369 -1.629 -2.943 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -2.675 -0.517 -2.471 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -2.442 -0.939 -4.184 1.00 0.00 H new ATOM 1220 N TYR A 78 -0.162 4.299 -4.151 1.00 0.00 N ATOM 1221 CA TYR A 78 0.950 5.197 -3.890 1.00 0.00 C ATOM 1222 C TYR A 78 1.168 5.377 -2.386 1.00 0.00 C ATOM 1223 O TYR A 78 0.215 5.339 -1.608 1.00 0.00 O ATOM 1224 CB TYR A 78 0.558 6.543 -4.501 1.00 0.00 C ATOM 1225 CG TYR A 78 1.544 7.674 -4.201 1.00 0.00 C ATOM 1226 CD1 TYR A 78 2.617 7.894 -5.041 1.00 0.00 C ATOM 1227 CD2 TYR A 78 1.361 8.473 -3.092 1.00 0.00 C ATOM 1228 CE1 TYR A 78 3.546 8.958 -4.758 1.00 0.00 C ATOM 1229 CE2 TYR A 78 2.289 9.537 -2.809 1.00 0.00 C ATOM 1230 CZ TYR A 78 3.336 9.727 -3.657 1.00 0.00 C ATOM 1231 OH TYR A 78 4.212 10.732 -3.390 1.00 0.00 O ATOM 0 H TYR A 78 -1.038 4.564 -3.701 1.00 0.00 H new ATOM 0 HA TYR A 78 1.872 4.799 -4.313 1.00 0.00 H new ATOM 0 HB2 TYR A 78 0.471 6.428 -5.581 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -0.427 6.826 -4.130 1.00 0.00 H new ATOM 0 HD1 TYR A 78 2.760 7.269 -5.910 1.00 0.00 H new ATOM 0 HD2 TYR A 78 0.521 8.301 -2.435 1.00 0.00 H new ATOM 0 HE1 TYR A 78 4.390 9.141 -5.406 1.00 0.00 H new ATOM 0 HE2 TYR A 78 2.157 10.170 -1.944 1.00 0.00 H new ATOM 0 HH TYR A 78 3.936 11.198 -2.573 1.00 0.00 H new ATOM 1241 N ALA A 79 2.427 5.570 -2.021 1.00 0.00 N ATOM 1242 CA ALA A 79 2.781 5.757 -0.625 1.00 0.00 C ATOM 1243 C ALA A 79 3.165 7.220 -0.392 1.00 0.00 C ATOM 1244 O ALA A 79 4.197 7.680 -0.878 1.00 0.00 O ATOM 1245 CB ALA A 79 3.908 4.792 -0.251 1.00 0.00 C ATOM 0 H ALA A 79 3.215 5.601 -2.668 1.00 0.00 H new ATOM 0 HA ALA A 79 1.931 5.533 0.020 1.00 0.00 H new ATOM 0 HB1 ALA A 79 4.174 4.932 0.797 1.00 0.00 H new ATOM 0 HB2 ALA A 79 3.575 3.766 -0.407 1.00 0.00 H new ATOM 0 HB3 ALA A 79 4.779 4.990 -0.876 1.00 0.00 H new ATOM 1251 N MET A 80 2.313 7.910 0.353 1.00 0.00 N ATOM 1252 CA MET A 80 2.550 9.311 0.656 1.00 0.00 C ATOM 1253 C MET A 80 3.131 9.477 2.062 1.00 0.00 C ATOM 1254 O MET A 80 2.634 8.882 3.017 1.00 0.00 O ATOM 1255 CB MET A 80 1.235 10.086 0.553 1.00 0.00 C ATOM 1256 CG MET A 80 1.457 11.579 0.799 1.00 0.00 C ATOM 1257 SD MET A 80 -0.053 12.334 1.377 1.00 0.00 S ATOM 1258 CE MET A 80 -1.083 12.112 -0.064 1.00 0.00 C ATOM 0 H MET A 80 1.458 7.525 0.755 1.00 0.00 H new ATOM 0 HA MET A 80 3.270 9.702 -0.063 1.00 0.00 H new ATOM 0 HB2 MET A 80 0.798 9.938 -0.434 1.00 0.00 H new ATOM 0 HB3 MET A 80 0.522 9.696 1.279 1.00 0.00 H new ATOM 0 HG2 MET A 80 2.249 11.721 1.535 1.00 0.00 H new ATOM 0 HG3 MET A 80 1.786 12.062 -0.121 1.00 0.00 H new ATOM 0 HE1 MET A 80 -1.594 13.047 -0.294 1.00 0.00 H new ATOM 0 HE2 MET A 80 -0.464 11.819 -0.912 1.00 0.00 H new ATOM 0 HE3 MET A 80 -1.821 11.334 0.133 1.00 0.00 H new ATOM 1268 N ASP A 81 4.175 10.289 2.144 1.00 0.00 N ATOM 1269 CA ASP A 81 4.829 10.540 3.417 1.00 0.00 C ATOM 1270 C ASP A 81 4.213 11.781 4.066 1.00 0.00 C ATOM 1271 O ASP A 81 4.479 12.905 3.641 1.00 0.00 O ATOM 1272 CB ASP A 81 6.325 10.800 3.226 1.00 0.00 C ATOM 1273 CG ASP A 81 7.174 9.548 2.996 1.00 0.00 C ATOM 1274 OD1 ASP A 81 6.635 8.445 3.230 1.00 0.00 O ATOM 1275 OD2 ASP A 81 8.344 9.723 2.591 1.00 0.00 O ATOM 0 H ASP A 81 4.584 10.781 1.350 1.00 0.00 H new ATOM 0 HA ASP A 81 4.693 9.660 4.045 1.00 0.00 H new ATOM 0 HB2 ASP A 81 6.456 11.471 2.377 1.00 0.00 H new ATOM 0 HB3 ASP A 81 6.703 11.321 4.106 1.00 0.00 H new