USER MOD reduce.3.24.130724 H: found=0, std=0, add=602, rem=0, adj=17 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 Single : A 10 THR OG1 : rot -38:sc= 0.795 USER MOD Single : A 16 ASN : amide:sc= -0.916 K(o=-0.92,f=-1.7) 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 180:sc= 0 USER MOD Single : A 21 GLN : amide:sc= -0.321 K(o=-0.32,f=-2.4!) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 THR OG1 : rot 180:sc= -0.214 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 180:sc= 0.0286 USER MOD Single : A 34 GLN : amide:sc= -0.0508 K(o=-0.051,f=-1.9!) USER MOD Single : A 41 CYS SG : rot -170:sc= -3.95! USER MOD Single : A 42 SER OG : rot 68:sc= 1.04 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 CYS SG : rot -134:sc= -5.12! USER MOD Single : A 50 HIS :FLIP no HD1:sc= -0.0361 F(o=-1.2,f=-0.036) USER MOD Single : A 51 THR OG1 : rot 122:sc= 0.915 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 X(o=0,f=-0.31) USER MOD Single : A 66 THR OG1 : rot 10:sc= 0.375! USER MOD Single : A 67 LYS NZ :NH3+ 139:sc= 0.698 (180deg=0.0504) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 70 ASN : amide:sc= -0.149 X(o=-0.15,f=-0.46) USER MOD Single : A 78 TYR OH : rot -130:sc= -1.72 USER MOD Single : A 80 MET CE :methyl -135:sc= -1.24 (180deg=-2.45) USER MOD ----------------------------------------------------------------- ATOM 103 N THR A 10 0.108 -14.779 -4.936 1.00 0.00 N ATOM 104 CA THR A 10 0.348 -13.353 -4.798 1.00 0.00 C ATOM 105 C THR A 10 0.235 -12.659 -6.156 1.00 0.00 C ATOM 106 O THR A 10 0.471 -13.275 -7.194 1.00 0.00 O ATOM 107 CB THR A 10 1.712 -13.166 -4.131 1.00 0.00 C ATOM 108 OG1 THR A 10 2.523 -14.187 -4.706 1.00 0.00 O ATOM 109 CG2 THR A 10 1.687 -13.505 -2.640 1.00 0.00 C ATOM 0 HA THR A 10 -0.406 -12.884 -4.166 1.00 0.00 H new ATOM 0 HB THR A 10 2.041 -12.135 -4.263 1.00 0.00 H new ATOM 0 HG1 THR A 10 1.992 -15.003 -4.816 1.00 0.00 H new ATOM 0 HG21 THR A 10 2.680 -13.355 -2.216 1.00 0.00 H new ATOM 0 HG22 THR A 10 0.974 -12.857 -2.131 1.00 0.00 H new ATOM 0 HG23 THR A 10 1.390 -14.545 -2.508 1.00 0.00 H new ATOM 117 N VAL A 11 -0.126 -11.385 -6.106 1.00 0.00 N ATOM 118 CA VAL A 11 -0.273 -10.600 -7.320 1.00 0.00 C ATOM 119 C VAL A 11 0.767 -9.478 -7.326 1.00 0.00 C ATOM 120 O VAL A 11 1.243 -9.062 -6.270 1.00 0.00 O ATOM 121 CB VAL A 11 -1.709 -10.085 -7.439 1.00 0.00 C ATOM 122 CG1 VAL A 11 -2.698 -11.244 -7.572 1.00 0.00 C ATOM 123 CG2 VAL A 11 -2.070 -9.189 -6.252 1.00 0.00 C ATOM 0 H VAL A 11 -0.321 -10.877 -5.243 1.00 0.00 H new ATOM 0 HA VAL A 11 -0.089 -11.218 -8.199 1.00 0.00 H new ATOM 0 HB VAL A 11 -1.775 -9.483 -8.345 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -3.711 -10.850 -7.655 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -2.460 -11.825 -8.463 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -2.629 -11.884 -6.693 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -3.096 -8.836 -6.361 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -1.978 -9.757 -5.326 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -1.394 -8.335 -6.222 1.00 0.00 H new ATOM 133 N ARG A 12 1.090 -9.020 -8.527 1.00 0.00 N ATOM 134 CA ARG A 12 2.065 -7.955 -8.684 1.00 0.00 C ATOM 135 C ARG A 12 1.390 -6.590 -8.530 1.00 0.00 C ATOM 136 O ARG A 12 0.538 -6.221 -9.337 1.00 0.00 O ATOM 137 CB ARG A 12 2.745 -8.028 -10.052 1.00 0.00 C ATOM 138 CG ARG A 12 1.768 -7.662 -11.171 1.00 0.00 C ATOM 139 CD ARG A 12 2.228 -8.236 -12.512 1.00 0.00 C ATOM 140 NE ARG A 12 2.002 -9.698 -12.541 1.00 0.00 N ATOM 141 CZ ARG A 12 2.167 -10.463 -13.629 1.00 0.00 C ATOM 142 NH1 ARG A 12 2.561 -9.909 -14.783 1.00 0.00 N ATOM 143 NH2 ARG A 12 1.938 -11.782 -13.562 1.00 0.00 N ATOM 0 H ARG A 12 0.693 -9.367 -9.400 1.00 0.00 H new ATOM 0 HA ARG A 12 2.820 -8.080 -7.908 1.00 0.00 H new ATOM 0 HB2 ARG A 12 3.599 -7.351 -10.074 1.00 0.00 H new ATOM 0 HB3 ARG A 12 3.132 -9.034 -10.217 1.00 0.00 H new ATOM 0 HG2 ARG A 12 0.775 -8.042 -10.930 1.00 0.00 H new ATOM 0 HG3 ARG A 12 1.685 -6.578 -11.245 1.00 0.00 H new ATOM 0 HD2 ARG A 12 1.683 -7.759 -13.327 1.00 0.00 H new ATOM 0 HD3 ARG A 12 3.285 -8.020 -12.666 1.00 0.00 H new ATOM 0 HE ARG A 12 1.702 -10.152 -11.679 1.00 0.00 H new ATOM 0 HH11 ARG A 12 2.735 -8.905 -14.834 1.00 0.00 H new ATOM 0 HH12 ARG A 12 2.687 -10.491 -15.611 1.00 0.00 H new ATOM 0 HH21 ARG A 12 1.638 -12.204 -12.683 1.00 0.00 H new ATOM 0 HH22 ARG A 12 2.064 -12.364 -14.390 1.00 0.00 H new ATOM 157 N VAL A 13 1.796 -5.879 -7.489 1.00 0.00 N ATOM 158 CA VAL A 13 1.241 -4.563 -7.219 1.00 0.00 C ATOM 159 C VAL A 13 2.285 -3.496 -7.553 1.00 0.00 C ATOM 160 O VAL A 13 3.479 -3.702 -7.340 1.00 0.00 O ATOM 161 CB VAL A 13 0.751 -4.489 -5.772 1.00 0.00 C ATOM 162 CG1 VAL A 13 0.346 -3.060 -5.403 1.00 0.00 C ATOM 163 CG2 VAL A 13 -0.402 -5.465 -5.532 1.00 0.00 C ATOM 0 H VAL A 13 2.503 -6.189 -6.822 1.00 0.00 H new ATOM 0 HA VAL A 13 0.373 -4.377 -7.851 1.00 0.00 H new ATOM 0 HB VAL A 13 1.577 -4.782 -5.124 1.00 0.00 H new ATOM 0 HG11 VAL A 13 0.001 -3.035 -4.369 1.00 0.00 H new ATOM 0 HG12 VAL A 13 1.205 -2.398 -5.515 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -0.457 -2.728 -6.061 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -0.731 -5.392 -4.495 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -1.232 -5.218 -6.194 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -0.066 -6.482 -5.735 1.00 0.00 H new ATOM 173 N VAL A 14 1.797 -2.378 -8.070 1.00 0.00 N ATOM 174 CA VAL A 14 2.674 -1.277 -8.435 1.00 0.00 C ATOM 175 C VAL A 14 2.756 -0.289 -7.270 1.00 0.00 C ATOM 176 O VAL A 14 1.755 0.318 -6.894 1.00 0.00 O ATOM 177 CB VAL A 14 2.188 -0.631 -9.734 1.00 0.00 C ATOM 178 CG1 VAL A 14 2.970 0.650 -10.034 1.00 0.00 C ATOM 179 CG2 VAL A 14 2.278 -1.614 -10.902 1.00 0.00 C ATOM 0 H VAL A 14 0.806 -2.210 -8.245 1.00 0.00 H new ATOM 0 HA VAL A 14 3.684 -1.639 -8.626 1.00 0.00 H new ATOM 0 HB VAL A 14 1.140 -0.362 -9.603 1.00 0.00 H new ATOM 0 HG11 VAL A 14 2.605 1.090 -10.962 1.00 0.00 H new ATOM 0 HG12 VAL A 14 2.833 1.359 -9.218 1.00 0.00 H new ATOM 0 HG13 VAL A 14 4.029 0.414 -10.136 1.00 0.00 H new ATOM 0 HG21 VAL A 14 1.927 -1.130 -11.813 1.00 0.00 H new ATOM 0 HG22 VAL A 14 3.313 -1.928 -11.034 1.00 0.00 H new ATOM 0 HG23 VAL A 14 1.658 -2.486 -10.692 1.00 0.00 H new ATOM 189 N ILE A 15 3.960 -0.158 -6.732 1.00 0.00 N ATOM 190 CA ILE A 15 4.186 0.747 -5.617 1.00 0.00 C ATOM 191 C ILE A 15 4.900 2.003 -6.122 1.00 0.00 C ATOM 192 O ILE A 15 6.116 1.998 -6.308 1.00 0.00 O ATOM 193 CB ILE A 15 4.929 0.030 -4.488 1.00 0.00 C ATOM 194 CG1 ILE A 15 4.172 -1.223 -4.043 1.00 0.00 C ATOM 195 CG2 ILE A 15 5.200 0.980 -3.320 1.00 0.00 C ATOM 196 CD1 ILE A 15 2.897 -0.853 -3.283 1.00 0.00 C ATOM 0 H ILE A 15 4.789 -0.663 -7.047 1.00 0.00 H new ATOM 0 HA ILE A 15 3.237 1.069 -5.189 1.00 0.00 H new ATOM 0 HB ILE A 15 5.897 -0.296 -4.869 1.00 0.00 H new ATOM 0 HG12 ILE A 15 3.918 -1.827 -4.914 1.00 0.00 H new ATOM 0 HG13 ILE A 15 4.814 -1.834 -3.408 1.00 0.00 H new ATOM 0 HG21 ILE A 15 5.729 0.445 -2.531 1.00 0.00 H new ATOM 0 HG22 ILE A 15 5.810 1.815 -3.664 1.00 0.00 H new ATOM 0 HG23 ILE A 15 4.254 1.358 -2.931 1.00 0.00 H new ATOM 0 HD11 ILE A 15 2.378 -1.762 -2.978 1.00 0.00 H new ATOM 0 HD12 ILE A 15 3.156 -0.270 -2.399 1.00 0.00 H new ATOM 0 HD13 ILE A 15 2.247 -0.263 -3.929 1.00 0.00 H new ATOM 208 N ASN A 16 4.113 3.048 -6.329 1.00 0.00 N ATOM 209 CA ASN A 16 4.655 4.309 -6.809 1.00 0.00 C ATOM 210 C ASN A 16 5.110 5.150 -5.616 1.00 0.00 C ATOM 211 O ASN A 16 4.321 5.438 -4.717 1.00 0.00 O ATOM 212 CB ASN A 16 3.597 5.107 -7.574 1.00 0.00 C ATOM 213 CG ASN A 16 3.127 4.345 -8.815 1.00 0.00 C ATOM 214 OD1 ASN A 16 3.729 4.401 -9.875 1.00 0.00 O ATOM 215 ND2 ASN A 16 2.020 3.633 -8.626 1.00 0.00 N ATOM 0 H ASN A 16 3.105 3.048 -6.173 1.00 0.00 H new ATOM 0 HA ASN A 16 5.490 4.086 -7.474 1.00 0.00 H new ATOM 0 HB2 ASN A 16 2.747 5.308 -6.923 1.00 0.00 H new ATOM 0 HB3 ASN A 16 4.008 6.072 -7.869 1.00 0.00 H new ATOM 0 HD21 ASN A 16 1.625 3.090 -9.394 1.00 0.00 H new ATOM 0 HD22 ASN A 16 1.565 3.630 -7.713 1.00 0.00 H new ATOM 222 N PHE A 17 6.382 5.521 -5.645 1.00 0.00 N ATOM 223 CA PHE A 17 6.952 6.324 -4.576 1.00 0.00 C ATOM 224 C PHE A 17 7.983 7.313 -5.124 1.00 0.00 C ATOM 225 O PHE A 17 8.359 7.239 -6.292 1.00 0.00 O ATOM 226 CB PHE A 17 7.649 5.359 -3.615 1.00 0.00 C ATOM 227 CG PHE A 17 8.992 4.833 -4.125 1.00 0.00 C ATOM 228 CD1 PHE A 17 10.129 5.546 -3.905 1.00 0.00 C ATOM 229 CD2 PHE A 17 9.048 3.654 -4.799 1.00 0.00 C ATOM 230 CE1 PHE A 17 11.375 5.058 -4.379 1.00 0.00 C ATOM 231 CE2 PHE A 17 10.295 3.166 -5.273 1.00 0.00 C ATOM 232 CZ PHE A 17 11.432 3.878 -5.053 1.00 0.00 C ATOM 0 H PHE A 17 7.034 5.280 -6.392 1.00 0.00 H new ATOM 0 HA PHE A 17 6.167 6.896 -4.080 1.00 0.00 H new ATOM 0 HB2 PHE A 17 7.807 5.863 -2.661 1.00 0.00 H new ATOM 0 HB3 PHE A 17 6.989 4.513 -3.423 1.00 0.00 H new ATOM 0 HD1 PHE A 17 10.084 6.483 -3.370 1.00 0.00 H new ATOM 0 HD2 PHE A 17 8.145 3.088 -4.974 1.00 0.00 H new ATOM 0 HE1 PHE A 17 12.278 5.624 -4.204 1.00 0.00 H new ATOM 0 HE2 PHE A 17 10.340 2.229 -5.808 1.00 0.00 H new ATOM 0 HZ PHE A 17 12.380 3.507 -5.413 1.00 0.00 H new ATOM 242 N LYS A 18 8.411 8.215 -4.253 1.00 0.00 N ATOM 243 CA LYS A 18 9.391 9.218 -4.635 1.00 0.00 C ATOM 244 C LYS A 18 8.736 10.234 -5.572 1.00 0.00 C ATOM 245 O LYS A 18 9.412 11.102 -6.123 1.00 0.00 O ATOM 246 CB LYS A 18 10.637 8.552 -5.223 1.00 0.00 C ATOM 247 CG LYS A 18 11.793 8.570 -4.220 1.00 0.00 C ATOM 248 CD LYS A 18 13.136 8.386 -4.929 1.00 0.00 C ATOM 249 CE LYS A 18 14.181 7.798 -3.980 1.00 0.00 C ATOM 250 NZ LYS A 18 15.006 6.787 -4.678 1.00 0.00 N ATOM 0 H LYS A 18 8.097 8.272 -3.284 1.00 0.00 H new ATOM 0 HA LYS A 18 9.735 9.768 -3.759 1.00 0.00 H new ATOM 0 HB2 LYS A 18 10.407 7.523 -5.500 1.00 0.00 H new ATOM 0 HB3 LYS A 18 10.934 9.069 -6.135 1.00 0.00 H new ATOM 0 HG2 LYS A 18 11.792 9.514 -3.675 1.00 0.00 H new ATOM 0 HG3 LYS A 18 11.654 7.777 -3.485 1.00 0.00 H new ATOM 0 HD2 LYS A 18 13.010 7.729 -5.789 1.00 0.00 H new ATOM 0 HD3 LYS A 18 13.485 9.346 -5.310 1.00 0.00 H new ATOM 0 HE2 LYS A 18 14.819 8.593 -3.595 1.00 0.00 H new ATOM 0 HE3 LYS A 18 13.686 7.343 -3.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 15.710 6.398 -4.019 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 14.395 6.020 -5.024 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 15.493 7.232 -5.482 1.00 0.00 H new ATOM 264 N LYS A 19 7.428 10.093 -5.725 1.00 0.00 N ATOM 265 CA LYS A 19 6.674 10.988 -6.587 1.00 0.00 C ATOM 266 C LYS A 19 7.232 10.909 -8.010 1.00 0.00 C ATOM 267 O LYS A 19 7.335 11.924 -8.697 1.00 0.00 O ATOM 268 CB LYS A 19 6.662 12.404 -6.009 1.00 0.00 C ATOM 269 CG LYS A 19 5.458 12.611 -5.088 1.00 0.00 C ATOM 270 CD LYS A 19 5.350 14.072 -4.646 1.00 0.00 C ATOM 271 CE LYS A 19 4.098 14.296 -3.795 1.00 0.00 C ATOM 272 NZ LYS A 19 4.464 14.843 -2.469 1.00 0.00 N ATOM 0 H LYS A 19 6.870 9.372 -5.267 1.00 0.00 H new ATOM 0 HA LYS A 19 5.630 10.680 -6.636 1.00 0.00 H new ATOM 0 HB2 LYS A 19 7.583 12.582 -5.454 1.00 0.00 H new ATOM 0 HB3 LYS A 19 6.633 13.131 -6.820 1.00 0.00 H new ATOM 0 HG2 LYS A 19 4.545 12.315 -5.605 1.00 0.00 H new ATOM 0 HG3 LYS A 19 5.551 11.968 -4.212 1.00 0.00 H new ATOM 0 HD2 LYS A 19 6.236 14.350 -4.076 1.00 0.00 H new ATOM 0 HD3 LYS A 19 5.319 14.720 -5.522 1.00 0.00 H new ATOM 0 HE2 LYS A 19 3.423 14.983 -4.305 1.00 0.00 H new ATOM 0 HE3 LYS A 19 3.562 13.355 -3.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 3.603 14.989 -1.904 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 5.091 14.174 -1.978 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 4.956 15.751 -2.592 1.00 0.00 H new ATOM 286 N THR A 20 7.576 9.693 -8.409 1.00 0.00 N ATOM 287 CA THR A 20 8.120 9.469 -9.738 1.00 0.00 C ATOM 288 C THR A 20 8.546 8.008 -9.900 1.00 0.00 C ATOM 289 O THR A 20 8.238 7.376 -10.909 1.00 0.00 O ATOM 290 CB THR A 20 9.263 10.462 -9.955 1.00 0.00 C ATOM 291 OG1 THR A 20 10.183 9.758 -10.785 1.00 0.00 O ATOM 292 CG2 THR A 20 10.052 10.736 -8.673 1.00 0.00 C ATOM 0 H THR A 20 7.489 8.854 -7.836 1.00 0.00 H new ATOM 0 HA THR A 20 7.368 9.644 -10.508 1.00 0.00 H new ATOM 0 HB THR A 20 8.861 11.399 -10.341 1.00 0.00 H new ATOM 0 HG1 THR A 20 10.955 10.330 -10.976 1.00 0.00 H new ATOM 0 HG21 THR A 20 10.851 11.447 -8.883 1.00 0.00 H new ATOM 0 HG22 THR A 20 9.385 11.152 -7.917 1.00 0.00 H new ATOM 0 HG23 THR A 20 10.482 9.805 -8.304 1.00 0.00 H new ATOM 300 N GLN A 21 9.248 7.514 -8.890 1.00 0.00 N ATOM 301 CA GLN A 21 9.719 6.140 -8.908 1.00 0.00 C ATOM 302 C GLN A 21 8.581 5.184 -8.543 1.00 0.00 C ATOM 303 O GLN A 21 7.636 5.571 -7.857 1.00 0.00 O ATOM 304 CB GLN A 21 10.911 5.957 -7.966 1.00 0.00 C ATOM 305 CG GLN A 21 12.057 6.898 -8.344 1.00 0.00 C ATOM 306 CD GLN A 21 13.414 6.243 -8.079 1.00 0.00 C ATOM 307 OE1 GLN A 21 13.510 5.103 -7.653 1.00 0.00 O ATOM 308 NE2 GLN A 21 14.455 7.024 -8.354 1.00 0.00 N ATOM 0 H GLN A 21 9.502 8.041 -8.054 1.00 0.00 H new ATOM 0 HA GLN A 21 10.056 5.905 -9.918 1.00 0.00 H new ATOM 0 HB2 GLN A 21 10.601 6.150 -6.939 1.00 0.00 H new ATOM 0 HB3 GLN A 21 11.256 4.924 -8.006 1.00 0.00 H new ATOM 0 HG2 GLN A 21 11.979 7.167 -9.397 1.00 0.00 H new ATOM 0 HG3 GLN A 21 11.977 7.822 -7.772 1.00 0.00 H new ATOM 0 HE21 GLN A 21 14.304 7.969 -8.708 1.00 0.00 H new ATOM 0 HE22 GLN A 21 15.404 6.678 -8.211 1.00 0.00 H new ATOM 317 N LYS A 22 8.709 3.954 -9.019 1.00 0.00 N ATOM 318 CA LYS A 22 7.704 2.940 -8.752 1.00 0.00 C ATOM 319 C LYS A 22 8.374 1.566 -8.695 1.00 0.00 C ATOM 320 O LYS A 22 9.382 1.334 -9.361 1.00 0.00 O ATOM 321 CB LYS A 22 6.569 3.028 -9.775 1.00 0.00 C ATOM 322 CG LYS A 22 7.110 2.941 -11.203 1.00 0.00 C ATOM 323 CD LYS A 22 6.242 2.019 -12.063 1.00 0.00 C ATOM 324 CE LYS A 22 6.146 2.538 -13.498 1.00 0.00 C ATOM 325 NZ LYS A 22 5.697 1.462 -14.410 1.00 0.00 N ATOM 0 H LYS A 22 9.494 3.637 -9.588 1.00 0.00 H new ATOM 0 HA LYS A 22 7.241 3.110 -7.780 1.00 0.00 H new ATOM 0 HB2 LYS A 22 5.856 2.222 -9.603 1.00 0.00 H new ATOM 0 HB3 LYS A 22 6.028 3.965 -9.644 1.00 0.00 H new ATOM 0 HG2 LYS A 22 7.139 3.937 -11.646 1.00 0.00 H new ATOM 0 HG3 LYS A 22 8.135 2.570 -11.186 1.00 0.00 H new ATOM 0 HD2 LYS A 22 6.663 1.014 -12.064 1.00 0.00 H new ATOM 0 HD3 LYS A 22 5.244 1.946 -11.631 1.00 0.00 H new ATOM 0 HE2 LYS A 22 5.449 3.375 -13.542 1.00 0.00 H new ATOM 0 HE3 LYS A 22 7.117 2.914 -13.820 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 5.637 1.832 -15.380 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 6.377 0.676 -14.380 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 4.761 1.122 -14.111 1.00 0.00 H new ATOM 339 N THR A 23 7.788 0.690 -7.892 1.00 0.00 N ATOM 340 CA THR A 23 8.316 -0.655 -7.739 1.00 0.00 C ATOM 341 C THR A 23 7.180 -1.680 -7.765 1.00 0.00 C ATOM 342 O THR A 23 6.015 -1.326 -7.590 1.00 0.00 O ATOM 343 CB THR A 23 9.141 -0.695 -6.451 1.00 0.00 C ATOM 344 OG1 THR A 23 9.631 -2.032 -6.394 1.00 0.00 O ATOM 345 CG2 THR A 23 8.275 -0.562 -5.196 1.00 0.00 C ATOM 0 H THR A 23 6.953 0.886 -7.340 1.00 0.00 H new ATOM 0 HA THR A 23 8.970 -0.920 -8.570 1.00 0.00 H new ATOM 0 HB THR A 23 9.880 0.106 -6.469 1.00 0.00 H new ATOM 0 HG1 THR A 23 10.179 -2.146 -5.589 1.00 0.00 H new ATOM 0 HG21 THR A 23 8.910 -0.596 -4.311 1.00 0.00 H new ATOM 0 HG22 THR A 23 7.740 0.387 -5.222 1.00 0.00 H new ATOM 0 HG23 THR A 23 7.558 -1.382 -5.160 1.00 0.00 H new ATOM 353 N ILE A 24 7.559 -2.930 -7.984 1.00 0.00 N ATOM 354 CA ILE A 24 6.587 -4.009 -8.035 1.00 0.00 C ATOM 355 C ILE A 24 6.848 -4.980 -6.881 1.00 0.00 C ATOM 356 O ILE A 24 7.995 -5.193 -6.492 1.00 0.00 O ATOM 357 CB ILE A 24 6.597 -4.675 -9.413 1.00 0.00 C ATOM 358 CG1 ILE A 24 6.126 -3.701 -10.495 1.00 0.00 C ATOM 359 CG2 ILE A 24 5.775 -5.965 -9.405 1.00 0.00 C ATOM 360 CD1 ILE A 24 4.639 -3.380 -10.334 1.00 0.00 C ATOM 0 H ILE A 24 8.526 -3.220 -8.128 1.00 0.00 H new ATOM 0 HA ILE A 24 5.578 -3.619 -7.902 1.00 0.00 H new ATOM 0 HB ILE A 24 7.624 -4.950 -9.652 1.00 0.00 H new ATOM 0 HG12 ILE A 24 6.708 -2.781 -10.440 1.00 0.00 H new ATOM 0 HG13 ILE A 24 6.304 -4.132 -11.480 1.00 0.00 H new ATOM 0 HG21 ILE A 24 5.799 -6.418 -10.396 1.00 0.00 H new ATOM 0 HG22 ILE A 24 6.196 -6.660 -8.678 1.00 0.00 H new ATOM 0 HG23 ILE A 24 4.744 -5.738 -9.135 1.00 0.00 H new ATOM 0 HD11 ILE A 24 4.330 -2.686 -11.115 1.00 0.00 H new ATOM 0 HD12 ILE A 24 4.058 -4.299 -10.414 1.00 0.00 H new ATOM 0 HD13 ILE A 24 4.468 -2.927 -9.358 1.00 0.00 H new ATOM 372 N VAL A 25 5.764 -5.542 -6.367 1.00 0.00 N ATOM 373 CA VAL A 25 5.861 -6.485 -5.266 1.00 0.00 C ATOM 374 C VAL A 25 4.762 -7.541 -5.406 1.00 0.00 C ATOM 375 O VAL A 25 3.714 -7.277 -5.993 1.00 0.00 O ATOM 376 CB VAL A 25 5.806 -5.739 -3.932 1.00 0.00 C ATOM 377 CG1 VAL A 25 6.923 -4.697 -3.840 1.00 0.00 C ATOM 378 CG2 VAL A 25 4.435 -5.092 -3.721 1.00 0.00 C ATOM 0 H VAL A 25 4.814 -5.362 -6.693 1.00 0.00 H new ATOM 0 HA VAL A 25 6.818 -7.006 -5.293 1.00 0.00 H new ATOM 0 HB VAL A 25 5.959 -6.467 -3.135 1.00 0.00 H new ATOM 0 HG11 VAL A 25 6.861 -4.181 -2.882 1.00 0.00 H new ATOM 0 HG12 VAL A 25 7.890 -5.192 -3.924 1.00 0.00 H new ATOM 0 HG13 VAL A 25 6.814 -3.975 -4.649 1.00 0.00 H new ATOM 0 HG21 VAL A 25 4.423 -4.568 -2.765 1.00 0.00 H new ATOM 0 HG22 VAL A 25 4.239 -4.383 -4.526 1.00 0.00 H new ATOM 0 HG23 VAL A 25 3.665 -5.863 -3.722 1.00 0.00 H new ATOM 388 N ARG A 26 5.039 -8.714 -4.856 1.00 0.00 N ATOM 389 CA ARG A 26 4.087 -9.810 -4.912 1.00 0.00 C ATOM 390 C ARG A 26 3.541 -10.111 -3.515 1.00 0.00 C ATOM 391 O ARG A 26 4.263 -10.620 -2.659 1.00 0.00 O ATOM 392 CB ARG A 26 4.736 -11.074 -5.482 1.00 0.00 C ATOM 393 CG ARG A 26 4.041 -11.512 -6.772 1.00 0.00 C ATOM 394 CD ARG A 26 5.050 -12.082 -7.772 1.00 0.00 C ATOM 395 NE ARG A 26 4.356 -12.941 -8.757 1.00 0.00 N ATOM 396 CZ ARG A 26 4.956 -13.509 -9.812 1.00 0.00 C ATOM 397 NH1 ARG A 26 6.264 -13.313 -10.026 1.00 0.00 N ATOM 398 NH2 ARG A 26 4.248 -14.274 -10.654 1.00 0.00 N ATOM 0 H ARG A 26 5.909 -8.929 -4.369 1.00 0.00 H new ATOM 0 HA ARG A 26 3.270 -9.507 -5.567 1.00 0.00 H new ATOM 0 HB2 ARG A 26 5.792 -10.888 -5.678 1.00 0.00 H new ATOM 0 HB3 ARG A 26 4.685 -11.877 -4.746 1.00 0.00 H new ATOM 0 HG2 ARG A 26 3.285 -12.263 -6.545 1.00 0.00 H new ATOM 0 HG3 ARG A 26 3.523 -10.662 -7.217 1.00 0.00 H new ATOM 0 HD2 ARG A 26 5.565 -11.270 -8.285 1.00 0.00 H new ATOM 0 HD3 ARG A 26 5.810 -12.659 -7.245 1.00 0.00 H new ATOM 0 HE ARG A 26 3.359 -13.111 -8.625 1.00 0.00 H new ATOM 0 HH11 ARG A 26 6.804 -12.731 -9.386 1.00 0.00 H new ATOM 0 HH12 ARG A 26 6.720 -13.746 -10.829 1.00 0.00 H new ATOM 0 HH21 ARG A 26 3.252 -14.424 -10.492 1.00 0.00 H new ATOM 0 HH22 ARG A 26 4.705 -14.706 -11.457 1.00 0.00 H new ATOM 412 N VAL A 27 2.271 -9.783 -3.328 1.00 0.00 N ATOM 413 CA VAL A 27 1.620 -10.011 -2.049 1.00 0.00 C ATOM 414 C VAL A 27 0.235 -10.617 -2.288 1.00 0.00 C ATOM 415 O VAL A 27 -0.147 -10.870 -3.430 1.00 0.00 O ATOM 416 CB VAL A 27 1.573 -8.710 -1.246 1.00 0.00 C ATOM 417 CG1 VAL A 27 2.873 -8.498 -0.469 1.00 0.00 C ATOM 418 CG2 VAL A 27 1.276 -7.515 -2.155 1.00 0.00 C ATOM 0 H VAL A 27 1.675 -9.361 -4.041 1.00 0.00 H new ATOM 0 HA VAL A 27 2.189 -10.724 -1.453 1.00 0.00 H new ATOM 0 HB VAL A 27 0.761 -8.791 -0.524 1.00 0.00 H new ATOM 0 HG11 VAL A 27 2.813 -7.566 0.093 1.00 0.00 H new ATOM 0 HG12 VAL A 27 3.024 -9.329 0.220 1.00 0.00 H new ATOM 0 HG13 VAL A 27 3.709 -8.448 -1.166 1.00 0.00 H new ATOM 0 HG21 VAL A 27 1.248 -6.603 -1.559 1.00 0.00 H new ATOM 0 HG22 VAL A 27 2.056 -7.431 -2.912 1.00 0.00 H new ATOM 0 HG23 VAL A 27 0.312 -7.660 -2.643 1.00 0.00 H new ATOM 428 N SER A 28 -0.478 -10.833 -1.193 1.00 0.00 N ATOM 429 CA SER A 28 -1.812 -11.404 -1.269 1.00 0.00 C ATOM 430 C SER A 28 -2.849 -10.291 -1.434 1.00 0.00 C ATOM 431 O SER A 28 -2.884 -9.348 -0.645 1.00 0.00 O ATOM 432 CB SER A 28 -2.124 -12.240 -0.026 1.00 0.00 C ATOM 433 OG SER A 28 -2.670 -13.513 -0.363 1.00 0.00 O ATOM 0 H SER A 28 -0.157 -10.623 -0.248 1.00 0.00 H new ATOM 0 HA SER A 28 -1.854 -12.062 -2.137 1.00 0.00 H new ATOM 0 HB2 SER A 28 -1.213 -12.379 0.556 1.00 0.00 H new ATOM 0 HB3 SER A 28 -2.828 -11.700 0.607 1.00 0.00 H new ATOM 0 HG SER A 28 -2.854 -14.017 0.457 1.00 0.00 H new ATOM 439 N PRO A 29 -3.690 -10.442 -2.492 1.00 0.00 N ATOM 440 CA PRO A 29 -4.726 -9.462 -2.771 1.00 0.00 C ATOM 441 C PRO A 29 -5.887 -9.595 -1.784 1.00 0.00 C ATOM 442 O PRO A 29 -6.823 -8.798 -1.810 1.00 0.00 O ATOM 443 CB PRO A 29 -5.137 -9.722 -4.211 1.00 0.00 C ATOM 444 CG PRO A 29 -4.654 -11.127 -4.534 1.00 0.00 C ATOM 445 CD PRO A 29 -3.678 -11.546 -3.447 1.00 0.00 C ATOM 0 HA PRO A 29 -4.378 -8.436 -2.650 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -6.218 -9.644 -4.329 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -4.689 -8.990 -4.883 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -5.495 -11.819 -4.579 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -4.170 -11.149 -5.511 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -3.986 -12.480 -2.977 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -2.679 -11.708 -3.853 1.00 0.00 H new ATOM 453 N HIS A 30 -5.788 -10.608 -0.936 1.00 0.00 N ATOM 454 CA HIS A 30 -6.819 -10.856 0.057 1.00 0.00 C ATOM 455 C HIS A 30 -6.525 -10.039 1.317 1.00 0.00 C ATOM 456 O HIS A 30 -7.406 -9.357 1.839 1.00 0.00 O ATOM 457 CB HIS A 30 -6.952 -12.354 0.340 1.00 0.00 C ATOM 458 CG HIS A 30 -7.839 -13.087 -0.637 1.00 0.00 C ATOM 459 ND1 HIS A 30 -9.216 -13.133 -0.511 1.00 0.00 N ATOM 460 CD2 HIS A 30 -7.531 -13.801 -1.757 1.00 0.00 C ATOM 461 CE1 HIS A 30 -9.705 -13.847 -1.515 1.00 0.00 C ATOM 462 NE2 HIS A 30 -8.659 -14.260 -2.286 1.00 0.00 N ATOM 0 H HIS A 30 -5.009 -11.267 -0.916 1.00 0.00 H new ATOM 0 HA HIS A 30 -7.785 -10.531 -0.328 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -5.960 -12.806 0.324 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -7.348 -12.489 1.347 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -6.538 -13.965 -2.148 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -10.748 -14.064 -1.691 1.00 0.00 H new ATOM 0 HE2 HIS A 30 -8.731 -14.828 -3.130 1.00 0.00 H new ATOM 470 N ALA A 31 -5.283 -10.133 1.768 1.00 0.00 N ATOM 471 CA ALA A 31 -4.862 -9.411 2.957 1.00 0.00 C ATOM 472 C ALA A 31 -5.205 -7.929 2.796 1.00 0.00 C ATOM 473 O ALA A 31 -5.282 -7.424 1.677 1.00 0.00 O ATOM 474 CB ALA A 31 -3.368 -9.642 3.191 1.00 0.00 C ATOM 0 H ALA A 31 -4.554 -10.698 1.332 1.00 0.00 H new ATOM 0 HA ALA A 31 -5.391 -9.778 3.837 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -3.051 -9.101 4.083 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -3.182 -10.707 3.328 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -2.805 -9.283 2.330 1.00 0.00 H new ATOM 480 N SER A 32 -5.401 -7.273 3.930 1.00 0.00 N ATOM 481 CA SER A 32 -5.735 -5.859 3.929 1.00 0.00 C ATOM 482 C SER A 32 -4.457 -5.021 3.851 1.00 0.00 C ATOM 483 O SER A 32 -3.420 -5.411 4.384 1.00 0.00 O ATOM 484 CB SER A 32 -6.541 -5.482 5.173 1.00 0.00 C ATOM 485 OG SER A 32 -7.028 -6.631 5.862 1.00 0.00 O ATOM 0 H SER A 32 -5.335 -7.695 4.856 1.00 0.00 H new ATOM 0 HA SER A 32 -6.352 -5.654 3.054 1.00 0.00 H new ATOM 0 HB2 SER A 32 -5.916 -4.894 5.845 1.00 0.00 H new ATOM 0 HB3 SER A 32 -7.381 -4.850 4.883 1.00 0.00 H new ATOM 0 HG SER A 32 -7.536 -6.348 6.651 1.00 0.00 H new ATOM 491 N LEU A 33 -4.574 -3.883 3.181 1.00 0.00 N ATOM 492 CA LEU A 33 -3.441 -2.986 3.026 1.00 0.00 C ATOM 493 C LEU A 33 -2.762 -2.790 4.383 1.00 0.00 C ATOM 494 O LEU A 33 -1.539 -2.679 4.459 1.00 0.00 O ATOM 495 CB LEU A 33 -3.880 -1.679 2.363 1.00 0.00 C ATOM 496 CG LEU A 33 -4.180 -1.754 0.865 1.00 0.00 C ATOM 497 CD1 LEU A 33 -4.961 -0.524 0.400 1.00 0.00 C ATOM 498 CD2 LEU A 33 -2.896 -1.957 0.058 1.00 0.00 C ATOM 0 H LEU A 33 -5.436 -3.562 2.740 1.00 0.00 H new ATOM 0 HA LEU A 33 -2.698 -3.422 2.358 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -4.772 -1.317 2.874 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -3.099 -0.935 2.520 1.00 0.00 H new ATOM 0 HG LEU A 33 -4.813 -2.623 0.687 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -5.161 -0.603 -0.669 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -5.905 -0.466 0.943 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -4.375 0.374 0.594 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -3.138 -2.007 -1.004 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -2.218 -1.123 0.237 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -2.416 -2.886 0.365 1.00 0.00 H new ATOM 510 N GLN A 34 -3.585 -2.754 5.421 1.00 0.00 N ATOM 511 CA GLN A 34 -3.079 -2.573 6.771 1.00 0.00 C ATOM 512 C GLN A 34 -1.953 -3.570 7.054 1.00 0.00 C ATOM 513 O GLN A 34 -0.995 -3.248 7.754 1.00 0.00 O ATOM 514 CB GLN A 34 -4.202 -2.708 7.800 1.00 0.00 C ATOM 515 CG GLN A 34 -3.647 -3.105 9.169 1.00 0.00 C ATOM 516 CD GLN A 34 -4.623 -2.731 10.287 1.00 0.00 C ATOM 517 OE1 GLN A 34 -5.613 -2.048 10.079 1.00 0.00 O ATOM 518 NE2 GLN A 34 -4.291 -3.215 11.480 1.00 0.00 N ATOM 0 H GLN A 34 -4.599 -2.847 5.354 1.00 0.00 H new ATOM 0 HA GLN A 34 -2.674 -1.564 6.854 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -4.740 -1.764 7.882 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -4.920 -3.456 7.464 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -3.457 -4.178 9.191 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -2.691 -2.609 9.335 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -3.448 -3.780 11.585 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -4.879 -3.021 12.291 1.00 0.00 H new ATOM 527 N GLU A 35 -2.107 -4.762 6.495 1.00 0.00 N ATOM 528 CA GLU A 35 -1.116 -5.808 6.679 1.00 0.00 C ATOM 529 C GLU A 35 -0.052 -5.729 5.582 1.00 0.00 C ATOM 530 O GLU A 35 1.066 -6.211 5.761 1.00 0.00 O ATOM 531 CB GLU A 35 -1.775 -7.189 6.705 1.00 0.00 C ATOM 532 CG GLU A 35 -2.210 -7.562 8.124 1.00 0.00 C ATOM 533 CD GLU A 35 -1.113 -8.349 8.845 1.00 0.00 C ATOM 534 OE1 GLU A 35 -0.891 -9.511 8.442 1.00 0.00 O ATOM 535 OE2 GLU A 35 -0.522 -7.770 9.782 1.00 0.00 O ATOM 0 H GLU A 35 -2.903 -5.026 5.915 1.00 0.00 H new ATOM 0 HA GLU A 35 -0.629 -5.656 7.642 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -2.640 -7.196 6.042 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -1.077 -7.936 6.326 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -2.443 -6.658 8.686 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -3.123 -8.157 8.084 1.00 0.00 H new ATOM 542 N LEU A 36 -0.437 -5.118 4.471 1.00 0.00 N ATOM 543 CA LEU A 36 0.470 -4.970 3.346 1.00 0.00 C ATOM 544 C LEU A 36 1.144 -3.598 3.416 1.00 0.00 C ATOM 545 O LEU A 36 1.807 -3.179 2.469 1.00 0.00 O ATOM 546 CB LEU A 36 -0.264 -5.228 2.028 1.00 0.00 C ATOM 547 CG LEU A 36 -0.878 -6.620 1.864 1.00 0.00 C ATOM 548 CD1 LEU A 36 -1.656 -6.724 0.551 1.00 0.00 C ATOM 549 CD2 LEU A 36 0.190 -7.708 1.986 1.00 0.00 C ATOM 0 H LEU A 36 -1.365 -4.720 4.326 1.00 0.00 H new ATOM 0 HA LEU A 36 1.262 -5.717 3.395 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -1.058 -4.488 1.926 1.00 0.00 H new ATOM 0 HB3 LEU A 36 0.434 -5.061 1.208 1.00 0.00 H new ATOM 0 HG LEU A 36 -1.591 -6.777 2.674 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -2.082 -7.723 0.459 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -2.458 -5.985 0.544 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -0.983 -6.538 -0.286 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -0.273 -8.687 1.866 1.00 0.00 H new ATOM 0 HD22 LEU A 36 0.944 -7.566 1.212 1.00 0.00 H new ATOM 0 HD23 LEU A 36 0.661 -7.647 2.967 1.00 0.00 H new ATOM 561 N ALA A 37 0.951 -2.937 4.548 1.00 0.00 N ATOM 562 CA ALA A 37 1.531 -1.621 4.754 1.00 0.00 C ATOM 563 C ALA A 37 3.048 -1.755 4.901 1.00 0.00 C ATOM 564 O ALA A 37 3.805 -1.050 4.235 1.00 0.00 O ATOM 565 CB ALA A 37 0.883 -0.963 5.974 1.00 0.00 C ATOM 0 H ALA A 37 0.401 -3.288 5.332 1.00 0.00 H new ATOM 0 HA ALA A 37 1.338 -0.978 3.896 1.00 0.00 H new ATOM 0 HB1 ALA A 37 1.318 0.024 6.129 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -0.190 -0.865 5.808 1.00 0.00 H new ATOM 0 HB3 ALA A 37 1.059 -1.579 6.856 1.00 0.00 H new ATOM 571 N PRO A 38 3.458 -2.689 5.801 1.00 0.00 N ATOM 572 CA PRO A 38 4.871 -2.924 6.044 1.00 0.00 C ATOM 573 C PRO A 38 5.503 -3.707 4.892 1.00 0.00 C ATOM 574 O PRO A 38 6.607 -3.390 4.452 1.00 0.00 O ATOM 575 CB PRO A 38 4.924 -3.669 7.368 1.00 0.00 C ATOM 576 CG PRO A 38 3.528 -4.231 7.586 1.00 0.00 C ATOM 577 CD PRO A 38 2.591 -3.542 6.608 1.00 0.00 C ATOM 0 HA PRO A 38 5.447 -2.001 6.098 1.00 0.00 H new ATOM 0 HB2 PRO A 38 5.666 -4.467 7.338 1.00 0.00 H new ATOM 0 HB3 PRO A 38 5.207 -3.001 8.181 1.00 0.00 H new ATOM 0 HG2 PRO A 38 3.521 -5.309 7.426 1.00 0.00 H new ATOM 0 HG3 PRO A 38 3.203 -4.059 8.612 1.00 0.00 H new ATOM 0 HD2 PRO A 38 2.062 -4.267 5.989 1.00 0.00 H new ATOM 0 HD3 PRO A 38 1.835 -2.956 7.130 1.00 0.00 H new ATOM 585 N ILE A 39 4.775 -4.716 4.435 1.00 0.00 N ATOM 586 CA ILE A 39 5.250 -5.548 3.342 1.00 0.00 C ATOM 587 C ILE A 39 5.561 -4.664 2.133 1.00 0.00 C ATOM 588 O ILE A 39 6.458 -4.971 1.349 1.00 0.00 O ATOM 589 CB ILE A 39 4.249 -6.666 3.046 1.00 0.00 C ATOM 590 CG1 ILE A 39 4.260 -7.721 4.154 1.00 0.00 C ATOM 591 CG2 ILE A 39 4.506 -7.280 1.668 1.00 0.00 C ATOM 592 CD1 ILE A 39 2.855 -7.939 4.717 1.00 0.00 C ATOM 0 H ILE A 39 3.860 -4.976 4.802 1.00 0.00 H new ATOM 0 HA ILE A 39 6.178 -6.048 3.619 1.00 0.00 H new ATOM 0 HB ILE A 39 3.249 -6.232 3.025 1.00 0.00 H new ATOM 0 HG12 ILE A 39 4.649 -8.661 3.762 1.00 0.00 H new ATOM 0 HG13 ILE A 39 4.931 -7.407 4.953 1.00 0.00 H new ATOM 0 HG21 ILE A 39 3.781 -8.072 1.482 1.00 0.00 H new ATOM 0 HG22 ILE A 39 4.407 -6.510 0.903 1.00 0.00 H new ATOM 0 HG23 ILE A 39 5.513 -7.695 1.637 1.00 0.00 H new ATOM 0 HD11 ILE A 39 2.891 -8.694 5.503 1.00 0.00 H new ATOM 0 HD12 ILE A 39 2.479 -7.003 5.130 1.00 0.00 H new ATOM 0 HD13 ILE A 39 2.192 -8.276 3.920 1.00 0.00 H new ATOM 604 N ILE A 40 4.803 -3.583 2.019 1.00 0.00 N ATOM 605 CA ILE A 40 4.986 -2.653 0.919 1.00 0.00 C ATOM 606 C ILE A 40 6.080 -1.647 1.284 1.00 0.00 C ATOM 607 O ILE A 40 7.103 -1.563 0.605 1.00 0.00 O ATOM 608 CB ILE A 40 3.655 -2.002 0.540 1.00 0.00 C ATOM 609 CG1 ILE A 40 2.775 -2.972 -0.251 1.00 0.00 C ATOM 610 CG2 ILE A 40 3.880 -0.689 -0.213 1.00 0.00 C ATOM 611 CD1 ILE A 40 1.329 -2.476 -0.313 1.00 0.00 C ATOM 0 H ILE A 40 4.060 -3.331 2.671 1.00 0.00 H new ATOM 0 HA ILE A 40 5.322 -3.181 0.026 1.00 0.00 H new ATOM 0 HB ILE A 40 3.121 -1.759 1.459 1.00 0.00 H new ATOM 0 HG12 ILE A 40 3.168 -3.084 -1.261 1.00 0.00 H new ATOM 0 HG13 ILE A 40 2.805 -3.957 0.214 1.00 0.00 H new ATOM 0 HG21 ILE A 40 2.917 -0.248 -0.470 1.00 0.00 H new ATOM 0 HG22 ILE A 40 4.439 0.002 0.419 1.00 0.00 H new ATOM 0 HG23 ILE A 40 4.445 -0.885 -1.125 1.00 0.00 H new ATOM 0 HD11 ILE A 40 0.725 -3.184 -0.881 1.00 0.00 H new ATOM 0 HD12 ILE A 40 0.931 -2.389 0.698 1.00 0.00 H new ATOM 0 HD13 ILE A 40 1.299 -1.501 -0.800 1.00 0.00 H new ATOM 623 N CYS A 41 5.828 -0.910 2.355 1.00 0.00 N ATOM 624 CA CYS A 41 6.779 0.087 2.818 1.00 0.00 C ATOM 625 C CYS A 41 8.160 -0.567 2.896 1.00 0.00 C ATOM 626 O CYS A 41 9.129 -0.048 2.344 1.00 0.00 O ATOM 627 CB CYS A 41 6.357 0.691 4.159 1.00 0.00 C ATOM 628 SG CYS A 41 5.568 2.320 3.890 1.00 0.00 S ATOM 0 H CYS A 41 4.979 -0.983 2.916 1.00 0.00 H new ATOM 0 HA CYS A 41 6.811 0.918 2.114 1.00 0.00 H new ATOM 0 HB2 CYS A 41 5.663 0.021 4.667 1.00 0.00 H new ATOM 0 HB3 CYS A 41 7.226 0.801 4.807 1.00 0.00 H new ATOM 0 HG CYS A 41 5.404 2.917 5.033 1.00 0.00 H new ATOM 634 N SER A 42 8.207 -1.697 3.587 1.00 0.00 N ATOM 635 CA SER A 42 9.453 -2.427 3.744 1.00 0.00 C ATOM 636 C SER A 42 10.098 -2.662 2.377 1.00 0.00 C ATOM 637 O SER A 42 11.287 -2.404 2.194 1.00 0.00 O ATOM 638 CB SER A 42 9.224 -3.760 4.459 1.00 0.00 C ATOM 639 OG SER A 42 8.742 -3.577 5.788 1.00 0.00 O ATOM 0 H SER A 42 7.402 -2.125 4.044 1.00 0.00 H new ATOM 0 HA SER A 42 10.125 -1.827 4.357 1.00 0.00 H new ATOM 0 HB2 SER A 42 8.509 -4.357 3.893 1.00 0.00 H new ATOM 0 HB3 SER A 42 10.158 -4.322 4.486 1.00 0.00 H new ATOM 0 HG SER A 42 7.835 -3.207 5.759 1.00 0.00 H new ATOM 645 N LYS A 43 9.285 -3.150 1.451 1.00 0.00 N ATOM 646 CA LYS A 43 9.762 -3.423 0.106 1.00 0.00 C ATOM 647 C LYS A 43 10.471 -2.182 -0.441 1.00 0.00 C ATOM 648 O LYS A 43 11.495 -2.294 -1.113 1.00 0.00 O ATOM 649 CB LYS A 43 8.615 -3.915 -0.779 1.00 0.00 C ATOM 650 CG LYS A 43 8.342 -5.403 -0.546 1.00 0.00 C ATOM 651 CD LYS A 43 9.103 -6.265 -1.554 1.00 0.00 C ATOM 652 CE LYS A 43 8.512 -7.674 -1.628 1.00 0.00 C ATOM 653 NZ LYS A 43 9.370 -8.554 -2.453 1.00 0.00 N ATOM 0 H LYS A 43 8.300 -3.363 1.606 1.00 0.00 H new ATOM 0 HA LYS A 43 10.495 -4.230 0.118 1.00 0.00 H new ATOM 0 HB2 LYS A 43 7.714 -3.339 -0.567 1.00 0.00 H new ATOM 0 HB3 LYS A 43 8.862 -3.747 -1.827 1.00 0.00 H new ATOM 0 HG2 LYS A 43 8.637 -5.676 0.467 1.00 0.00 H new ATOM 0 HG3 LYS A 43 7.273 -5.598 -0.630 1.00 0.00 H new ATOM 0 HD2 LYS A 43 9.065 -5.799 -2.538 1.00 0.00 H new ATOM 0 HD3 LYS A 43 10.154 -6.322 -1.269 1.00 0.00 H new ATOM 0 HE2 LYS A 43 8.416 -8.087 -0.624 1.00 0.00 H new ATOM 0 HE3 LYS A 43 7.509 -7.632 -2.053 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 8.954 -9.506 -2.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 9.441 -8.167 -3.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 10.319 -8.608 -2.031 1.00 0.00 H new ATOM 667 N CYS A 44 9.898 -1.028 -0.133 1.00 0.00 N ATOM 668 CA CYS A 44 10.463 0.232 -0.585 1.00 0.00 C ATOM 669 C CYS A 44 11.221 0.866 0.584 1.00 0.00 C ATOM 670 O CYS A 44 11.425 2.078 0.611 1.00 0.00 O ATOM 671 CB CYS A 44 9.387 1.167 -1.141 1.00 0.00 C ATOM 672 SG CYS A 44 9.671 1.455 -2.926 1.00 0.00 S ATOM 0 H CYS A 44 9.048 -0.939 0.424 1.00 0.00 H new ATOM 0 HA CYS A 44 11.154 0.049 -1.408 1.00 0.00 H new ATOM 0 HB2 CYS A 44 8.400 0.731 -0.987 1.00 0.00 H new ATOM 0 HB3 CYS A 44 9.404 2.115 -0.604 1.00 0.00 H new ATOM 0 HG CYS A 44 9.554 2.724 -3.185 1.00 0.00 H new ATOM 678 N GLU A 45 11.617 0.016 1.520 1.00 0.00 N ATOM 679 CA GLU A 45 12.348 0.478 2.688 1.00 0.00 C ATOM 680 C GLU A 45 11.785 1.816 3.172 1.00 0.00 C ATOM 681 O GLU A 45 12.539 2.748 3.446 1.00 0.00 O ATOM 682 CB GLU A 45 13.845 0.589 2.390 1.00 0.00 C ATOM 683 CG GLU A 45 14.521 -0.782 2.464 1.00 0.00 C ATOM 684 CD GLU A 45 16.007 -0.679 2.111 1.00 0.00 C ATOM 685 OE1 GLU A 45 16.604 0.359 2.468 1.00 0.00 O ATOM 686 OE2 GLU A 45 16.510 -1.642 1.492 1.00 0.00 O ATOM 0 H GLU A 45 11.446 -0.989 1.494 1.00 0.00 H new ATOM 0 HA GLU A 45 12.223 -0.256 3.484 1.00 0.00 H new ATOM 0 HB2 GLU A 45 13.991 1.018 1.399 1.00 0.00 H new ATOM 0 HB3 GLU A 45 14.312 1.268 3.103 1.00 0.00 H new ATOM 0 HG2 GLU A 45 14.409 -1.193 3.467 1.00 0.00 H new ATOM 0 HG3 GLU A 45 14.028 -1.472 1.780 1.00 0.00 H new ATOM 693 N PHE A 46 10.464 1.867 3.263 1.00 0.00 N ATOM 694 CA PHE A 46 9.791 3.075 3.709 1.00 0.00 C ATOM 695 C PHE A 46 9.348 2.949 5.168 1.00 0.00 C ATOM 696 O PHE A 46 9.405 1.865 5.746 1.00 0.00 O ATOM 697 CB PHE A 46 8.554 3.251 2.825 1.00 0.00 C ATOM 698 CG PHE A 46 8.783 4.145 1.605 1.00 0.00 C ATOM 699 CD1 PHE A 46 10.046 4.376 1.158 1.00 0.00 C ATOM 700 CD2 PHE A 46 7.722 4.709 0.968 1.00 0.00 C ATOM 701 CE1 PHE A 46 10.258 5.206 0.026 1.00 0.00 C ATOM 702 CE2 PHE A 46 7.934 5.540 -0.165 1.00 0.00 C ATOM 703 CZ PHE A 46 9.198 5.771 -0.612 1.00 0.00 C ATOM 0 H PHE A 46 9.842 1.091 3.035 1.00 0.00 H new ATOM 0 HA PHE A 46 10.467 3.927 3.635 1.00 0.00 H new ATOM 0 HB2 PHE A 46 8.220 2.270 2.486 1.00 0.00 H new ATOM 0 HB3 PHE A 46 7.748 3.673 3.425 1.00 0.00 H new ATOM 0 HD1 PHE A 46 10.888 3.928 1.664 1.00 0.00 H new ATOM 0 HD2 PHE A 46 6.719 4.525 1.323 1.00 0.00 H new ATOM 0 HE1 PHE A 46 11.262 5.389 -0.329 1.00 0.00 H new ATOM 0 HE2 PHE A 46 7.092 5.988 -0.671 1.00 0.00 H new ATOM 0 HZ PHE A 46 9.360 6.403 -1.473 1.00 0.00 H new ATOM 713 N ASP A 47 8.915 4.073 5.721 1.00 0.00 N ATOM 714 CA ASP A 47 8.462 4.102 7.101 1.00 0.00 C ATOM 715 C ASP A 47 6.938 4.229 7.130 1.00 0.00 C ATOM 716 O ASP A 47 6.388 5.247 6.712 1.00 0.00 O ATOM 717 CB ASP A 47 9.051 5.299 7.849 1.00 0.00 C ATOM 718 CG ASP A 47 10.390 5.035 8.540 1.00 0.00 C ATOM 719 OD1 ASP A 47 11.328 4.624 7.823 1.00 0.00 O ATOM 720 OD2 ASP A 47 10.446 5.251 9.770 1.00 0.00 O ATOM 0 H ASP A 47 8.868 4.970 5.238 1.00 0.00 H new ATOM 0 HA ASP A 47 8.788 3.180 7.583 1.00 0.00 H new ATOM 0 HB2 ASP A 47 9.179 6.121 7.145 1.00 0.00 H new ATOM 0 HB3 ASP A 47 8.332 5.630 8.598 1.00 0.00 H new ATOM 725 N PRO A 48 6.281 3.153 7.642 1.00 0.00 N ATOM 726 CA PRO A 48 4.831 3.135 7.731 1.00 0.00 C ATOM 727 C PRO A 48 4.341 4.023 8.877 1.00 0.00 C ATOM 728 O PRO A 48 3.138 4.138 9.107 1.00 0.00 O ATOM 729 CB PRO A 48 4.466 1.671 7.916 1.00 0.00 C ATOM 730 CG PRO A 48 5.736 0.982 8.388 1.00 0.00 C ATOM 731 CD PRO A 48 6.899 1.931 8.146 1.00 0.00 C ATOM 0 HA PRO A 48 4.350 3.542 6.842 1.00 0.00 H new ATOM 0 HB2 PRO A 48 3.665 1.557 8.647 1.00 0.00 H new ATOM 0 HB3 PRO A 48 4.110 1.236 6.982 1.00 0.00 H new ATOM 0 HG2 PRO A 48 5.663 0.730 9.446 1.00 0.00 H new ATOM 0 HG3 PRO A 48 5.887 0.048 7.847 1.00 0.00 H new ATOM 0 HD2 PRO A 48 7.455 2.118 9.065 1.00 0.00 H new ATOM 0 HD3 PRO A 48 7.604 1.517 7.425 1.00 0.00 H new ATOM 739 N LEU A 49 5.298 4.628 9.565 1.00 0.00 N ATOM 740 CA LEU A 49 4.979 5.501 10.681 1.00 0.00 C ATOM 741 C LEU A 49 4.067 6.630 10.195 1.00 0.00 C ATOM 742 O LEU A 49 3.030 6.899 10.799 1.00 0.00 O ATOM 743 CB LEU A 49 6.259 5.994 11.359 1.00 0.00 C ATOM 744 CG LEU A 49 6.747 5.167 12.551 1.00 0.00 C ATOM 745 CD1 LEU A 49 8.239 5.397 12.803 1.00 0.00 C ATOM 746 CD2 LEU A 49 5.905 5.449 13.796 1.00 0.00 C ATOM 0 H LEU A 49 6.295 4.531 9.371 1.00 0.00 H new ATOM 0 HA LEU A 49 4.430 4.954 11.448 1.00 0.00 H new ATOM 0 HB2 LEU A 49 7.053 6.024 10.613 1.00 0.00 H new ATOM 0 HB3 LEU A 49 6.098 7.019 11.694 1.00 0.00 H new ATOM 0 HG LEU A 49 6.620 4.112 12.310 1.00 0.00 H new ATOM 0 HD11 LEU A 49 8.561 4.798 13.655 1.00 0.00 H new ATOM 0 HD12 LEU A 49 8.806 5.105 11.919 1.00 0.00 H new ATOM 0 HD13 LEU A 49 8.414 6.452 13.014 1.00 0.00 H new ATOM 0 HD21 LEU A 49 6.273 4.848 14.628 1.00 0.00 H new ATOM 0 HD22 LEU A 49 5.977 6.506 14.052 1.00 0.00 H new ATOM 0 HD23 LEU A 49 4.864 5.194 13.597 1.00 0.00 H new ATOM 758 N HIS A 50 4.488 7.261 9.109 1.00 0.00 N ATOM 759 CA HIS A 50 3.723 8.355 8.535 1.00 0.00 C ATOM 760 C HIS A 50 3.557 8.132 7.031 1.00 0.00 C ATOM 761 O HIS A 50 3.993 8.954 6.226 1.00 0.00 O ATOM 762 CB HIS A 50 4.367 9.702 8.867 1.00 0.00 C ATOM 763 CG HIS A 50 5.859 9.631 9.089 1.00 0.00 C ATOM 764 ND1 HIS A 50 6.817 8.882 8.471 1.00 0.00 N flip ATOM 765 CD2 HIS A 50 6.513 10.392 10.042 1.00 0.00 C flip ATOM 766 CE1 HIS A 50 7.992 9.171 9.017 1.00 0.00 C flip ATOM 767 NE2 HIS A 50 7.805 10.106 9.991 1.00 0.00 N flip ATOM 0 H HIS A 50 5.349 7.036 8.611 1.00 0.00 H new ATOM 0 HA HIS A 50 2.726 8.376 8.976 1.00 0.00 H new ATOM 0 HB2 HIS A 50 4.164 10.400 8.055 1.00 0.00 H new ATOM 0 HB3 HIS A 50 3.896 10.108 9.762 1.00 0.00 H new ATOM 0 HD2 HIS A 50 6.049 11.099 10.713 1.00 0.00 H new ATOM 0 HE1 HIS A 50 8.940 8.737 8.736 1.00 0.00 H new ATOM 0 HE2 HIS A 50 8.533 10.514 10.578 1.00 0.00 H new ATOM 775 N THR A 51 2.927 7.015 6.696 1.00 0.00 N ATOM 776 CA THR A 51 2.699 6.674 5.302 1.00 0.00 C ATOM 777 C THR A 51 1.201 6.522 5.029 1.00 0.00 C ATOM 778 O THR A 51 0.444 6.116 5.909 1.00 0.00 O ATOM 779 CB THR A 51 3.505 5.412 4.987 1.00 0.00 C ATOM 780 OG1 THR A 51 4.859 5.855 4.993 1.00 0.00 O ATOM 781 CG2 THR A 51 3.282 4.917 3.556 1.00 0.00 C ATOM 0 H THR A 51 2.568 6.335 7.366 1.00 0.00 H new ATOM 0 HA THR A 51 3.040 7.469 4.639 1.00 0.00 H new ATOM 0 HB THR A 51 3.235 4.624 5.690 1.00 0.00 H new ATOM 0 HG1 THR A 51 5.369 5.341 5.654 1.00 0.00 H new ATOM 0 HG21 THR A 51 3.877 4.020 3.385 1.00 0.00 H new ATOM 0 HG22 THR A 51 2.227 4.686 3.411 1.00 0.00 H new ATOM 0 HG23 THR A 51 3.584 5.692 2.852 1.00 0.00 H new ATOM 789 N LEU A 52 0.819 6.855 3.805 1.00 0.00 N ATOM 790 CA LEU A 52 -0.575 6.761 3.404 1.00 0.00 C ATOM 791 C LEU A 52 -0.685 5.872 2.164 1.00 0.00 C ATOM 792 O LEU A 52 0.322 5.541 1.541 1.00 0.00 O ATOM 793 CB LEU A 52 -1.174 8.156 3.216 1.00 0.00 C ATOM 794 CG LEU A 52 -2.054 8.668 4.358 1.00 0.00 C ATOM 795 CD1 LEU A 52 -2.762 9.966 3.965 1.00 0.00 C ATOM 796 CD2 LEU A 52 -3.041 7.591 4.814 1.00 0.00 C ATOM 0 H LEU A 52 1.450 7.190 3.077 1.00 0.00 H new ATOM 0 HA LEU A 52 -1.166 6.289 4.189 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -0.358 8.863 3.068 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -1.765 8.155 2.300 1.00 0.00 H new ATOM 0 HG LEU A 52 -1.412 8.897 5.208 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -3.381 10.308 4.794 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -2.020 10.728 3.728 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -3.391 9.788 3.093 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -3.655 7.980 5.626 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -3.682 7.308 3.979 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -2.491 6.717 5.162 1.00 0.00 H new ATOM 808 N LEU A 53 -1.919 5.509 1.843 1.00 0.00 N ATOM 809 CA LEU A 53 -2.174 4.665 0.689 1.00 0.00 C ATOM 810 C LEU A 53 -3.266 5.303 -0.173 1.00 0.00 C ATOM 811 O LEU A 53 -4.450 5.197 0.140 1.00 0.00 O ATOM 812 CB LEU A 53 -2.497 3.236 1.131 1.00 0.00 C ATOM 813 CG LEU A 53 -1.395 2.508 1.904 1.00 0.00 C ATOM 814 CD1 LEU A 53 -1.864 1.124 2.354 1.00 0.00 C ATOM 815 CD2 LEU A 53 -0.105 2.438 1.084 1.00 0.00 C ATOM 0 H LEU A 53 -2.752 5.784 2.363 1.00 0.00 H new ATOM 0 HA LEU A 53 -1.281 4.588 0.069 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -3.392 3.263 1.752 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -2.741 2.649 0.245 1.00 0.00 H new ATOM 0 HG LEU A 53 -1.173 3.081 2.804 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -1.062 0.628 2.901 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -2.735 1.228 3.001 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -2.130 0.528 1.481 1.00 0.00 H new ATOM 0 HD21 LEU A 53 0.662 1.916 1.656 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -0.293 1.901 0.155 1.00 0.00 H new ATOM 0 HD23 LEU A 53 0.237 3.448 0.856 1.00 0.00 H new ATOM 827 N LEU A 54 -2.827 5.952 -1.242 1.00 0.00 N ATOM 828 CA LEU A 54 -3.752 6.608 -2.151 1.00 0.00 C ATOM 829 C LEU A 54 -3.904 5.760 -3.415 1.00 0.00 C ATOM 830 O LEU A 54 -3.096 4.868 -3.670 1.00 0.00 O ATOM 831 CB LEU A 54 -3.306 8.045 -2.424 1.00 0.00 C ATOM 832 CG LEU A 54 -2.896 8.865 -1.199 1.00 0.00 C ATOM 833 CD1 LEU A 54 -4.063 9.007 -0.220 1.00 0.00 C ATOM 834 CD2 LEU A 54 -1.656 8.269 -0.531 1.00 0.00 C ATOM 0 H LEU A 54 -1.844 6.037 -1.499 1.00 0.00 H new ATOM 0 HA LEU A 54 -4.740 6.687 -1.698 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -2.465 8.018 -3.116 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -4.118 8.566 -2.930 1.00 0.00 H new ATOM 0 HG LEU A 54 -2.631 9.869 -1.532 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -3.746 9.594 0.642 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -4.894 9.509 -0.715 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -4.382 8.019 0.112 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -1.386 8.871 0.337 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -1.869 7.248 -0.213 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -0.828 8.263 -1.240 1.00 0.00 H new ATOM 846 N LYS A 55 -4.946 6.068 -4.174 1.00 0.00 N ATOM 847 CA LYS A 55 -5.214 5.345 -5.406 1.00 0.00 C ATOM 848 C LYS A 55 -4.016 5.487 -6.347 1.00 0.00 C ATOM 849 O LYS A 55 -3.508 4.494 -6.864 1.00 0.00 O ATOM 850 CB LYS A 55 -6.537 5.807 -6.020 1.00 0.00 C ATOM 851 CG LYS A 55 -7.695 5.613 -5.039 1.00 0.00 C ATOM 852 CD LYS A 55 -8.942 6.366 -5.506 1.00 0.00 C ATOM 853 CE LYS A 55 -10.006 5.396 -6.023 1.00 0.00 C ATOM 854 NZ LYS A 55 -11.009 6.114 -6.841 1.00 0.00 N ATOM 0 H LYS A 55 -5.614 6.808 -3.960 1.00 0.00 H new ATOM 0 HA LYS A 55 -5.336 4.281 -5.205 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -6.465 6.858 -6.299 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -6.733 5.247 -6.934 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -7.922 4.551 -4.944 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -7.402 5.966 -4.050 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -9.348 6.951 -4.681 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -8.673 7.070 -6.294 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -9.535 4.614 -6.619 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -10.497 4.905 -5.183 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -11.724 5.441 -7.184 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -11.471 6.844 -6.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -10.538 6.562 -7.653 1.00 0.00 H new ATOM 868 N ASP A 56 -3.600 6.730 -6.540 1.00 0.00 N ATOM 869 CA ASP A 56 -2.472 7.015 -7.410 1.00 0.00 C ATOM 870 C ASP A 56 -1.832 8.340 -6.990 1.00 0.00 C ATOM 871 O ASP A 56 -2.244 8.948 -6.004 1.00 0.00 O ATOM 872 CB ASP A 56 -2.919 7.147 -8.867 1.00 0.00 C ATOM 873 CG ASP A 56 -3.893 6.069 -9.345 1.00 0.00 C ATOM 874 OD1 ASP A 56 -3.400 4.978 -9.706 1.00 0.00 O ATOM 875 OD2 ASP A 56 -5.109 6.359 -9.338 1.00 0.00 O ATOM 0 H ASP A 56 -4.024 7.551 -6.109 1.00 0.00 H new ATOM 0 HA ASP A 56 -1.763 6.191 -7.324 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -3.386 8.123 -9.001 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -2.036 7.126 -9.505 1.00 0.00 H new ATOM 880 N TYR A 57 -0.833 8.748 -7.759 1.00 0.00 N ATOM 881 CA TYR A 57 -0.132 9.990 -7.480 1.00 0.00 C ATOM 882 C TYR A 57 -1.049 11.196 -7.690 1.00 0.00 C ATOM 883 O TYR A 57 -0.961 12.182 -6.959 1.00 0.00 O ATOM 884 CB TYR A 57 1.020 10.058 -8.484 1.00 0.00 C ATOM 885 CG TYR A 57 1.488 11.481 -8.798 1.00 0.00 C ATOM 886 CD1 TYR A 57 2.427 12.092 -7.992 1.00 0.00 C ATOM 887 CD2 TYR A 57 0.970 12.153 -9.887 1.00 0.00 C ATOM 888 CE1 TYR A 57 2.867 13.431 -8.288 1.00 0.00 C ATOM 889 CE2 TYR A 57 1.410 13.492 -10.183 1.00 0.00 C ATOM 890 CZ TYR A 57 2.337 14.065 -9.368 1.00 0.00 C ATOM 891 OH TYR A 57 2.752 15.329 -9.648 1.00 0.00 O ATOM 0 H TYR A 57 -0.492 8.240 -8.575 1.00 0.00 H new ATOM 0 HA TYR A 57 0.213 10.013 -6.446 1.00 0.00 H new ATOM 0 HB2 TYR A 57 1.863 9.487 -8.094 1.00 0.00 H new ATOM 0 HB3 TYR A 57 0.710 9.576 -9.411 1.00 0.00 H new ATOM 0 HD1 TYR A 57 2.832 11.566 -7.140 1.00 0.00 H new ATOM 0 HD2 TYR A 57 0.235 11.675 -10.517 1.00 0.00 H new ATOM 0 HE1 TYR A 57 3.602 13.921 -7.666 1.00 0.00 H new ATOM 0 HE2 TYR A 57 1.013 14.029 -11.032 1.00 0.00 H new ATOM 0 HH TYR A 57 2.289 15.656 -10.448 1.00 0.00 H new ATOM 901 N GLN A 58 -1.907 11.080 -8.692 1.00 0.00 N ATOM 902 CA GLN A 58 -2.839 12.149 -9.008 1.00 0.00 C ATOM 903 C GLN A 58 -3.988 12.168 -7.997 1.00 0.00 C ATOM 904 O GLN A 58 -4.078 13.075 -7.172 1.00 0.00 O ATOM 905 CB GLN A 58 -3.368 12.012 -10.437 1.00 0.00 C ATOM 906 CG GLN A 58 -3.398 13.368 -11.143 1.00 0.00 C ATOM 907 CD GLN A 58 -4.837 13.842 -11.360 1.00 0.00 C ATOM 908 OE1 GLN A 58 -5.514 13.447 -12.294 1.00 0.00 O ATOM 909 NE2 GLN A 58 -5.264 14.709 -10.446 1.00 0.00 N ATOM 0 H GLN A 58 -1.977 10.261 -9.296 1.00 0.00 H new ATOM 0 HA GLN A 58 -2.308 13.098 -8.943 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -2.738 11.320 -10.997 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -4.371 11.586 -10.418 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -2.855 14.103 -10.549 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -2.887 13.293 -12.103 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -4.645 14.998 -9.689 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -6.211 15.085 -10.502 1.00 0.00 H new ATOM 918 N SER A 59 -4.836 11.155 -8.095 1.00 0.00 N ATOM 919 CA SER A 59 -5.975 11.043 -7.200 1.00 0.00 C ATOM 920 C SER A 59 -5.564 11.436 -5.779 1.00 0.00 C ATOM 921 O SER A 59 -4.403 11.288 -5.402 1.00 0.00 O ATOM 922 CB SER A 59 -6.549 9.625 -7.214 1.00 0.00 C ATOM 923 OG SER A 59 -7.589 9.479 -8.177 1.00 0.00 O ATOM 0 H SER A 59 -4.757 10.404 -8.781 1.00 0.00 H new ATOM 0 HA SER A 59 -6.752 11.723 -7.548 1.00 0.00 H new ATOM 0 HB2 SER A 59 -5.752 8.914 -7.431 1.00 0.00 H new ATOM 0 HB3 SER A 59 -6.935 9.380 -6.224 1.00 0.00 H new ATOM 0 HG SER A 59 -7.928 8.560 -8.156 1.00 0.00 H new ATOM 929 N GLN A 60 -6.540 11.928 -5.030 1.00 0.00 N ATOM 930 CA GLN A 60 -6.295 12.343 -3.660 1.00 0.00 C ATOM 931 C GLN A 60 -7.231 11.600 -2.704 1.00 0.00 C ATOM 932 O GLN A 60 -7.531 12.091 -1.617 1.00 0.00 O ATOM 933 CB GLN A 60 -6.448 13.858 -3.510 1.00 0.00 C ATOM 934 CG GLN A 60 -5.363 14.600 -4.293 1.00 0.00 C ATOM 935 CD GLN A 60 -5.511 16.114 -4.136 1.00 0.00 C ATOM 936 OE1 GLN A 60 -5.809 16.628 -3.070 1.00 0.00 O ATOM 937 NE2 GLN A 60 -5.287 16.798 -5.254 1.00 0.00 N ATOM 0 H GLN A 60 -7.502 12.048 -5.347 1.00 0.00 H new ATOM 0 HA GLN A 60 -5.267 12.087 -3.402 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -7.432 14.165 -3.866 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -6.391 14.130 -2.456 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -4.379 14.289 -3.942 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -5.424 14.333 -5.348 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -5.041 16.305 -6.113 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -5.361 17.815 -5.253 1.00 0.00 H new ATOM 946 N GLU A 61 -7.665 10.429 -3.145 1.00 0.00 N ATOM 947 CA GLU A 61 -8.561 9.613 -2.343 1.00 0.00 C ATOM 948 C GLU A 61 -7.774 8.527 -1.606 1.00 0.00 C ATOM 949 O GLU A 61 -7.145 7.677 -2.235 1.00 0.00 O ATOM 950 CB GLU A 61 -9.665 9.000 -3.206 1.00 0.00 C ATOM 951 CG GLU A 61 -11.006 9.691 -2.954 1.00 0.00 C ATOM 952 CD GLU A 61 -11.719 10.003 -4.272 1.00 0.00 C ATOM 953 OE1 GLU A 61 -11.176 10.840 -5.026 1.00 0.00 O ATOM 954 OE2 GLU A 61 -12.789 9.398 -4.495 1.00 0.00 O ATOM 0 H GLU A 61 -7.413 10.025 -4.047 1.00 0.00 H new ATOM 0 HA GLU A 61 -9.039 10.254 -1.602 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -9.399 9.088 -4.259 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -9.754 7.936 -2.987 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -11.638 9.052 -2.337 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -10.845 10.614 -2.397 1.00 0.00 H new ATOM 961 N PRO A 62 -7.836 8.592 -0.249 1.00 0.00 N ATOM 962 CA PRO A 62 -7.137 7.625 0.579 1.00 0.00 C ATOM 963 C PRO A 62 -7.859 6.276 0.576 1.00 0.00 C ATOM 964 O PRO A 62 -9.085 6.225 0.656 1.00 0.00 O ATOM 965 CB PRO A 62 -7.073 8.262 1.958 1.00 0.00 C ATOM 966 CG PRO A 62 -8.138 9.346 1.966 1.00 0.00 C ATOM 967 CD PRO A 62 -8.571 9.585 0.529 1.00 0.00 C ATOM 0 HA PRO A 62 -6.136 7.402 0.211 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -7.261 7.524 2.738 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -6.086 8.683 2.148 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -8.989 9.041 2.575 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -7.745 10.264 2.404 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -9.648 9.461 0.414 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -8.331 10.598 0.206 1.00 0.00 H new ATOM 975 N LEU A 63 -7.068 5.218 0.484 1.00 0.00 N ATOM 976 CA LEU A 63 -7.617 3.872 0.469 1.00 0.00 C ATOM 977 C LEU A 63 -7.928 3.438 1.903 1.00 0.00 C ATOM 978 O LEU A 63 -7.368 3.980 2.855 1.00 0.00 O ATOM 979 CB LEU A 63 -6.678 2.919 -0.272 1.00 0.00 C ATOM 980 CG LEU A 63 -6.072 3.451 -1.573 1.00 0.00 C ATOM 981 CD1 LEU A 63 -4.720 2.793 -1.856 1.00 0.00 C ATOM 982 CD2 LEU A 63 -7.046 3.284 -2.740 1.00 0.00 C ATOM 0 H LEU A 63 -6.051 5.265 0.419 1.00 0.00 H new ATOM 0 HA LEU A 63 -8.557 3.849 -0.083 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -5.864 2.647 0.400 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -7.225 2.003 -0.497 1.00 0.00 H new ATOM 0 HG LEU A 63 -5.892 4.520 -1.455 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -4.311 3.188 -2.786 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -4.033 3.007 -1.037 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -4.852 1.715 -1.947 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -6.591 3.670 -3.652 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -7.280 2.227 -2.870 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -7.963 3.835 -2.531 1.00 0.00 H new ATOM 994 N ASP A 64 -8.819 2.464 2.012 1.00 0.00 N ATOM 995 CA ASP A 64 -9.211 1.950 3.313 1.00 0.00 C ATOM 996 C ASP A 64 -8.351 0.732 3.656 1.00 0.00 C ATOM 997 O ASP A 64 -8.502 -0.329 3.052 1.00 0.00 O ATOM 998 CB ASP A 64 -10.676 1.509 3.313 1.00 0.00 C ATOM 999 CG ASP A 64 -11.626 2.421 4.092 1.00 0.00 C ATOM 1000 OD1 ASP A 64 -11.461 2.489 5.329 1.00 0.00 O ATOM 1001 OD2 ASP A 64 -12.497 3.030 3.433 1.00 0.00 O ATOM 0 H ASP A 64 -9.281 2.017 1.220 1.00 0.00 H new ATOM 0 HA ASP A 64 -9.074 2.746 4.045 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -11.021 1.447 2.281 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -10.737 0.504 3.731 1.00 0.00 H new ATOM 1006 N LEU A 65 -7.468 0.925 4.625 1.00 0.00 N ATOM 1007 CA LEU A 65 -6.584 -0.145 5.056 1.00 0.00 C ATOM 1008 C LEU A 65 -7.421 -1.354 5.476 1.00 0.00 C ATOM 1009 O LEU A 65 -7.039 -2.496 5.224 1.00 0.00 O ATOM 1010 CB LEU A 65 -5.633 0.353 6.146 1.00 0.00 C ATOM 1011 CG LEU A 65 -4.827 1.610 5.810 1.00 0.00 C ATOM 1012 CD1 LEU A 65 -4.271 2.260 7.079 1.00 0.00 C ATOM 1013 CD2 LEU A 65 -3.725 1.299 4.796 1.00 0.00 C ATOM 0 H LEU A 65 -7.346 1.806 5.124 1.00 0.00 H new ATOM 0 HA LEU A 65 -5.947 -0.468 4.233 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -6.215 0.549 7.047 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -4.935 -0.449 6.386 1.00 0.00 H new ATOM 0 HG LEU A 65 -5.498 2.332 5.345 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -3.702 3.151 6.812 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -5.095 2.538 7.736 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -3.619 1.554 7.594 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -3.167 2.209 4.574 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -3.049 0.551 5.211 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -4.172 0.915 3.879 1.00 0.00 H new ATOM 1025 N THR A 66 -8.548 -1.063 6.109 1.00 0.00 N ATOM 1026 CA THR A 66 -9.443 -2.113 6.566 1.00 0.00 C ATOM 1027 C THR A 66 -9.961 -2.926 5.379 1.00 0.00 C ATOM 1028 O THR A 66 -10.531 -4.001 5.560 1.00 0.00 O ATOM 1029 CB THR A 66 -10.556 -1.461 7.389 1.00 0.00 C ATOM 1030 OG1 THR A 66 -11.595 -2.436 7.402 1.00 0.00 O ATOM 1031 CG2 THR A 66 -11.182 -0.259 6.678 1.00 0.00 C ATOM 0 H THR A 66 -8.862 -0.115 6.316 1.00 0.00 H new ATOM 0 HA THR A 66 -8.922 -2.826 7.205 1.00 0.00 H new ATOM 0 HB THR A 66 -10.157 -1.146 8.353 1.00 0.00 H new ATOM 0 HG1 THR A 66 -11.257 -3.279 7.034 1.00 0.00 H new ATOM 0 HG21 THR A 66 -11.966 0.167 7.305 1.00 0.00 H new ATOM 0 HG22 THR A 66 -10.416 0.494 6.493 1.00 0.00 H new ATOM 0 HG23 THR A 66 -11.611 -0.580 5.729 1.00 0.00 H new ATOM 1039 N LYS A 67 -9.745 -2.382 4.190 1.00 0.00 N ATOM 1040 CA LYS A 67 -10.184 -3.044 2.973 1.00 0.00 C ATOM 1041 C LYS A 67 -8.998 -3.773 2.338 1.00 0.00 C ATOM 1042 O LYS A 67 -7.883 -3.719 2.855 1.00 0.00 O ATOM 1043 CB LYS A 67 -10.865 -2.045 2.036 1.00 0.00 C ATOM 1044 CG LYS A 67 -12.119 -1.453 2.682 1.00 0.00 C ATOM 1045 CD LYS A 67 -13.387 -2.050 2.067 1.00 0.00 C ATOM 1046 CE LYS A 67 -14.543 -1.049 2.115 1.00 0.00 C ATOM 1047 NZ LYS A 67 -15.399 -1.188 0.916 1.00 0.00 N ATOM 0 H LYS A 67 -9.272 -1.490 4.044 1.00 0.00 H new ATOM 0 HA LYS A 67 -10.938 -3.798 3.200 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -10.169 -1.245 1.784 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -11.132 -2.541 1.103 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -12.105 -1.646 3.755 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -12.123 -0.371 2.553 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -13.193 -2.338 1.034 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -13.664 -2.957 2.604 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -15.137 -1.213 3.014 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -14.151 -0.034 2.173 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -16.399 -1.111 1.192 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -15.169 -0.436 0.236 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -15.232 -2.115 0.476 1.00 0.00 H new ATOM 1061 N SER A 68 -9.279 -4.438 1.227 1.00 0.00 N ATOM 1062 CA SER A 68 -8.249 -5.176 0.517 1.00 0.00 C ATOM 1063 C SER A 68 -8.275 -4.812 -0.969 1.00 0.00 C ATOM 1064 O SER A 68 -9.259 -4.261 -1.460 1.00 0.00 O ATOM 1065 CB SER A 68 -8.430 -6.685 0.697 1.00 0.00 C ATOM 1066 OG SER A 68 -9.804 -7.062 0.694 1.00 0.00 O ATOM 0 H SER A 68 -10.205 -4.481 0.801 1.00 0.00 H new ATOM 0 HA SER A 68 -7.281 -4.901 0.935 1.00 0.00 H new ATOM 0 HB2 SER A 68 -7.908 -7.211 -0.103 1.00 0.00 H new ATOM 0 HB3 SER A 68 -7.971 -6.996 1.635 1.00 0.00 H new ATOM 0 HG SER A 68 -9.877 -8.032 0.810 1.00 0.00 H new ATOM 1072 N LEU A 69 -7.181 -5.135 -1.644 1.00 0.00 N ATOM 1073 CA LEU A 69 -7.066 -4.849 -3.064 1.00 0.00 C ATOM 1074 C LEU A 69 -8.312 -5.365 -3.786 1.00 0.00 C ATOM 1075 O LEU A 69 -8.732 -4.794 -4.792 1.00 0.00 O ATOM 1076 CB LEU A 69 -5.756 -5.411 -3.619 1.00 0.00 C ATOM 1077 CG LEU A 69 -4.486 -4.641 -3.251 1.00 0.00 C ATOM 1078 CD1 LEU A 69 -4.451 -3.279 -3.946 1.00 0.00 C ATOM 1079 CD2 LEU A 69 -4.342 -4.516 -1.733 1.00 0.00 C ATOM 0 H LEU A 69 -6.367 -5.592 -1.234 1.00 0.00 H new ATOM 0 HA LEU A 69 -7.022 -3.773 -3.234 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -5.648 -6.438 -3.271 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -5.832 -5.449 -4.706 1.00 0.00 H new ATOM 0 HG LEU A 69 -3.626 -5.207 -3.610 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -3.538 -2.752 -3.668 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -4.473 -3.421 -5.026 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -5.317 -2.692 -3.640 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -3.432 -3.965 -1.498 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -5.203 -3.984 -1.328 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -4.289 -5.510 -1.289 1.00 0.00 H new ATOM 1091 N ASN A 70 -8.869 -6.439 -3.245 1.00 0.00 N ATOM 1092 CA ASN A 70 -10.059 -7.038 -3.826 1.00 0.00 C ATOM 1093 C ASN A 70 -11.259 -6.123 -3.576 1.00 0.00 C ATOM 1094 O ASN A 70 -11.944 -5.722 -4.515 1.00 0.00 O ATOM 1095 CB ASN A 70 -10.358 -8.396 -3.188 1.00 0.00 C ATOM 1096 CG ASN A 70 -10.027 -9.539 -4.150 1.00 0.00 C ATOM 1097 OD1 ASN A 70 -10.320 -9.494 -5.333 1.00 0.00 O ATOM 1098 ND2 ASN A 70 -9.400 -10.563 -3.578 1.00 0.00 N ATOM 0 H ASN A 70 -8.518 -6.910 -2.411 1.00 0.00 H new ATOM 0 HA ASN A 70 -9.883 -7.172 -4.893 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -9.777 -8.507 -2.272 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -11.410 -8.446 -2.907 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -9.135 -11.375 -4.136 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -9.184 -10.537 -2.581 1.00 0.00 H new ATOM 1105 N ASP A 71 -11.477 -5.820 -2.305 1.00 0.00 N ATOM 1106 CA ASP A 71 -12.583 -4.959 -1.919 1.00 0.00 C ATOM 1107 C ASP A 71 -12.511 -3.656 -2.717 1.00 0.00 C ATOM 1108 O ASP A 71 -13.530 -3.159 -3.195 1.00 0.00 O ATOM 1109 CB ASP A 71 -12.515 -4.608 -0.432 1.00 0.00 C ATOM 1110 CG ASP A 71 -13.865 -4.579 0.288 1.00 0.00 C ATOM 1111 OD1 ASP A 71 -14.760 -3.866 -0.213 1.00 0.00 O ATOM 1112 OD2 ASP A 71 -13.970 -5.271 1.323 1.00 0.00 O ATOM 0 H ASP A 71 -10.907 -6.155 -1.529 1.00 0.00 H new ATOM 0 HA ASP A 71 -13.512 -5.492 -2.121 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -11.869 -5.330 0.067 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -12.043 -3.631 -0.326 1.00 0.00 H new ATOM 1117 N LEU A 72 -11.297 -3.139 -2.837 1.00 0.00 N ATOM 1118 CA LEU A 72 -11.079 -1.902 -3.568 1.00 0.00 C ATOM 1119 C LEU A 72 -11.227 -2.169 -5.067 1.00 0.00 C ATOM 1120 O LEU A 72 -12.168 -1.689 -5.697 1.00 0.00 O ATOM 1121 CB LEU A 72 -9.734 -1.282 -3.184 1.00 0.00 C ATOM 1122 CG LEU A 72 -9.605 -0.804 -1.736 1.00 0.00 C ATOM 1123 CD1 LEU A 72 -8.145 -0.827 -1.279 1.00 0.00 C ATOM 1124 CD2 LEU A 72 -10.240 0.576 -1.556 1.00 0.00 C ATOM 0 H LEU A 72 -10.454 -3.554 -2.440 1.00 0.00 H new ATOM 0 HA LEU A 72 -11.833 -1.162 -3.299 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -8.951 -2.015 -3.375 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -9.545 -0.435 -3.844 1.00 0.00 H new ATOM 0 HG LEU A 72 -10.153 -1.497 -1.097 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -8.081 -0.483 -0.247 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -7.758 -1.844 -1.347 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -7.554 -0.171 -1.917 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -10.135 0.892 -0.518 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -9.741 1.294 -2.207 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -11.298 0.526 -1.815 1.00 0.00 H new ATOM 1136 N GLY A 73 -10.283 -2.934 -5.596 1.00 0.00 N ATOM 1137 CA GLY A 73 -10.297 -3.270 -7.009 1.00 0.00 C ATOM 1138 C GLY A 73 -9.133 -2.601 -7.743 1.00 0.00 C ATOM 1139 O GLY A 73 -9.138 -2.510 -8.970 1.00 0.00 O ATOM 0 H GLY A 73 -9.504 -3.331 -5.071 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -10.234 -4.351 -7.130 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -11.241 -2.954 -7.452 1.00 0.00 H new ATOM 1143 N LEU A 74 -8.163 -2.149 -6.961 1.00 0.00 N ATOM 1144 CA LEU A 74 -6.995 -1.491 -7.522 1.00 0.00 C ATOM 1145 C LEU A 74 -5.808 -2.457 -7.493 1.00 0.00 C ATOM 1146 O LEU A 74 -5.689 -3.272 -6.580 1.00 0.00 O ATOM 1147 CB LEU A 74 -6.729 -0.168 -6.802 1.00 0.00 C ATOM 1148 CG LEU A 74 -7.896 0.820 -6.761 1.00 0.00 C ATOM 1149 CD1 LEU A 74 -7.582 2.002 -5.841 1.00 0.00 C ATOM 1150 CD2 LEU A 74 -8.277 1.277 -8.171 1.00 0.00 C ATOM 0 H LEU A 74 -8.162 -2.226 -5.944 1.00 0.00 H new ATOM 0 HA LEU A 74 -7.169 -1.230 -8.566 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -6.430 -0.389 -5.777 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -5.882 0.321 -7.283 1.00 0.00 H new ATOM 0 HG LEU A 74 -8.763 0.308 -6.343 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -8.428 2.689 -5.830 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -7.397 1.638 -4.830 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -6.697 2.522 -6.206 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -9.109 1.979 -8.114 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -7.422 1.765 -8.639 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -8.572 0.413 -8.766 1.00 0.00 H new ATOM 1162 N ARG A 75 -4.961 -2.333 -8.504 1.00 0.00 N ATOM 1163 CA ARG A 75 -3.788 -3.184 -8.606 1.00 0.00 C ATOM 1164 C ARG A 75 -2.524 -2.389 -8.273 1.00 0.00 C ATOM 1165 O ARG A 75 -1.445 -2.962 -8.133 1.00 0.00 O ATOM 1166 CB ARG A 75 -3.656 -3.773 -10.012 1.00 0.00 C ATOM 1167 CG ARG A 75 -4.105 -5.235 -10.039 1.00 0.00 C ATOM 1168 CD ARG A 75 -2.963 -6.167 -9.626 1.00 0.00 C ATOM 1169 NE ARG A 75 -2.590 -7.043 -10.759 1.00 0.00 N ATOM 1170 CZ ARG A 75 -3.436 -7.884 -11.369 1.00 0.00 C ATOM 1171 NH1 ARG A 75 -4.709 -7.969 -10.958 1.00 0.00 N ATOM 1172 NH2 ARG A 75 -3.010 -8.641 -12.389 1.00 0.00 N ATOM 0 H ARG A 75 -5.064 -1.656 -9.260 1.00 0.00 H new ATOM 0 HA ARG A 75 -3.907 -3.999 -7.892 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -4.257 -3.192 -10.711 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -2.620 -3.701 -10.345 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -4.952 -5.372 -9.367 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -4.448 -5.496 -11.040 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -2.100 -5.581 -9.310 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -3.267 -6.772 -8.772 1.00 0.00 H new ATOM 0 HE ARG A 75 -1.628 -7.004 -11.097 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -5.034 -7.393 -10.181 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -5.353 -8.609 -11.422 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -2.041 -8.577 -12.702 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -3.655 -9.281 -12.853 1.00 0.00 H new ATOM 1186 N GLU A 76 -2.701 -1.081 -8.155 1.00 0.00 N ATOM 1187 CA GLU A 76 -1.588 -0.201 -7.841 1.00 0.00 C ATOM 1188 C GLU A 76 -2.005 0.826 -6.787 1.00 0.00 C ATOM 1189 O GLU A 76 -3.182 1.164 -6.675 1.00 0.00 O ATOM 1190 CB GLU A 76 -1.062 0.489 -9.101 1.00 0.00 C ATOM 1191 CG GLU A 76 -2.081 1.493 -9.643 1.00 0.00 C ATOM 1192 CD GLU A 76 -3.112 0.799 -10.536 1.00 0.00 C ATOM 1193 OE1 GLU A 76 -2.724 0.423 -11.663 1.00 0.00 O ATOM 1194 OE2 GLU A 76 -4.264 0.661 -10.072 1.00 0.00 O ATOM 0 H GLU A 76 -3.598 -0.610 -8.271 1.00 0.00 H new ATOM 0 HA GLU A 76 -0.777 -0.804 -7.432 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -0.126 1.001 -8.876 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -0.841 -0.258 -9.864 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -2.587 1.987 -8.813 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -1.567 2.269 -10.210 1.00 0.00 H new ATOM 1201 N LEU A 77 -1.016 1.295 -6.039 1.00 0.00 N ATOM 1202 CA LEU A 77 -1.265 2.277 -4.998 1.00 0.00 C ATOM 1203 C LEU A 77 -0.049 3.196 -4.867 1.00 0.00 C ATOM 1204 O LEU A 77 1.010 2.912 -5.425 1.00 0.00 O ATOM 1205 CB LEU A 77 -1.656 1.584 -3.691 1.00 0.00 C ATOM 1206 CG LEU A 77 -0.801 0.380 -3.288 1.00 0.00 C ATOM 1207 CD1 LEU A 77 -0.013 0.671 -2.009 1.00 0.00 C ATOM 1208 CD2 LEU A 77 -1.657 -0.882 -3.160 1.00 0.00 C ATOM 0 H LEU A 77 -0.041 1.012 -6.134 1.00 0.00 H new ATOM 0 HA LEU A 77 -2.113 2.907 -5.264 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -1.615 2.319 -2.887 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -2.693 1.257 -3.772 1.00 0.00 H new ATOM 0 HG LEU A 77 -0.074 0.197 -4.079 1.00 0.00 H new ATOM 0 HD11 LEU A 77 0.586 -0.200 -1.745 1.00 0.00 H new ATOM 0 HD12 LEU A 77 0.643 1.526 -2.172 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -0.706 0.895 -1.198 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -1.025 -1.723 -2.873 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -2.422 -0.727 -2.400 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -2.134 -1.097 -4.116 1.00 0.00 H new ATOM 1220 N TYR A 78 -0.242 4.278 -4.128 1.00 0.00 N ATOM 1221 CA TYR A 78 0.826 5.240 -3.917 1.00 0.00 C ATOM 1222 C TYR A 78 1.090 5.448 -2.424 1.00 0.00 C ATOM 1223 O TYR A 78 0.164 5.415 -1.616 1.00 0.00 O ATOM 1224 CB TYR A 78 0.335 6.555 -4.524 1.00 0.00 C ATOM 1225 CG TYR A 78 1.248 7.750 -4.243 1.00 0.00 C ATOM 1226 CD1 TYR A 78 2.468 7.851 -4.881 1.00 0.00 C ATOM 1227 CD2 TYR A 78 0.852 8.727 -3.353 1.00 0.00 C ATOM 1228 CE1 TYR A 78 3.328 8.975 -4.617 1.00 0.00 C ATOM 1229 CE2 TYR A 78 1.712 9.852 -3.089 1.00 0.00 C ATOM 1230 CZ TYR A 78 2.907 9.920 -3.734 1.00 0.00 C ATOM 1231 OH TYR A 78 3.719 10.982 -3.484 1.00 0.00 O ATOM 0 H TYR A 78 -1.122 4.510 -3.668 1.00 0.00 H new ATOM 0 HA TYR A 78 1.753 4.890 -4.372 1.00 0.00 H new ATOM 0 HB2 TYR A 78 0.237 6.431 -5.603 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -0.660 6.773 -4.137 1.00 0.00 H new ATOM 0 HD1 TYR A 78 2.777 7.087 -5.578 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -0.103 8.648 -2.854 1.00 0.00 H new ATOM 0 HE1 TYR A 78 4.285 9.066 -5.109 1.00 0.00 H new ATOM 0 HE2 TYR A 78 1.414 10.624 -2.395 1.00 0.00 H new ATOM 0 HH TYR A 78 3.817 11.098 -2.516 1.00 0.00 H new ATOM 1241 N ALA A 79 2.359 5.658 -2.104 1.00 0.00 N ATOM 1242 CA ALA A 79 2.756 5.872 -0.723 1.00 0.00 C ATOM 1243 C ALA A 79 3.077 7.353 -0.512 1.00 0.00 C ATOM 1244 O ALA A 79 4.066 7.859 -1.041 1.00 0.00 O ATOM 1245 CB ALA A 79 3.941 4.965 -0.386 1.00 0.00 C ATOM 0 H ALA A 79 3.125 5.684 -2.777 1.00 0.00 H new ATOM 0 HA ALA A 79 1.943 5.612 -0.046 1.00 0.00 H new ATOM 0 HB1 ALA A 79 4.239 5.126 0.650 1.00 0.00 H new ATOM 0 HB2 ALA A 79 3.652 3.923 -0.523 1.00 0.00 H new ATOM 0 HB3 ALA A 79 4.777 5.199 -1.044 1.00 0.00 H new ATOM 1251 N MET A 80 2.223 8.007 0.261 1.00 0.00 N ATOM 1252 CA MET A 80 2.403 9.420 0.548 1.00 0.00 C ATOM 1253 C MET A 80 3.079 9.622 1.906 1.00 0.00 C ATOM 1254 O MET A 80 2.800 8.892 2.857 1.00 0.00 O ATOM 1255 CB MET A 80 1.043 10.119 0.546 1.00 0.00 C ATOM 1256 CG MET A 80 1.181 11.590 0.946 1.00 0.00 C ATOM 1257 SD MET A 80 -0.419 12.264 1.358 1.00 0.00 S ATOM 1258 CE MET A 80 -1.290 11.949 -0.169 1.00 0.00 C ATOM 0 H MET A 80 1.404 7.584 0.698 1.00 0.00 H new ATOM 0 HA MET A 80 3.043 9.849 -0.223 1.00 0.00 H new ATOM 0 HB2 MET A 80 0.596 10.049 -0.445 1.00 0.00 H new ATOM 0 HB3 MET A 80 0.369 9.612 1.237 1.00 0.00 H new ATOM 0 HG2 MET A 80 1.854 11.682 1.799 1.00 0.00 H new ATOM 0 HG3 MET A 80 1.624 12.158 0.128 1.00 0.00 H new ATOM 0 HE1 MET A 80 -1.858 12.835 -0.453 1.00 0.00 H new ATOM 0 HE2 MET A 80 -0.573 11.711 -0.954 1.00 0.00 H new ATOM 0 HE3 MET A 80 -1.971 11.109 -0.033 1.00 0.00 H new ATOM 1268 N ASP A 81 3.954 10.615 1.954 1.00 0.00 N ATOM 1269 CA ASP A 81 4.672 10.922 3.180 1.00 0.00 C ATOM 1270 C ASP A 81 4.009 12.117 3.868 1.00 0.00 C ATOM 1271 O ASP A 81 4.072 13.239 3.369 1.00 0.00 O ATOM 1272 CB ASP A 81 6.127 11.293 2.888 1.00 0.00 C ATOM 1273 CG ASP A 81 7.168 10.342 3.482 1.00 0.00 C ATOM 1274 OD1 ASP A 81 6.919 9.860 4.608 1.00 0.00 O ATOM 1275 OD2 ASP A 81 8.189 10.119 2.796 1.00 0.00 O ATOM 0 H ASP A 81 4.183 11.218 1.164 1.00 0.00 H new ATOM 0 HA ASP A 81 4.646 10.038 3.817 1.00 0.00 H new ATOM 0 HB2 ASP A 81 6.267 11.332 1.808 1.00 0.00 H new ATOM 0 HB3 ASP A 81 6.314 12.297 3.270 1.00 0.00 H new