USER MOD reduce.3.24.130724 H: found=0, std=0, add=602, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 602 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 12 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 24 THR OG1 : rot 180:sc= -0.134 USER MOD Single : A 1 SER N :NH3+ 145:sc= 0.0467 (180deg=0) USER MOD Single : A 1 SER OG : rot -150:sc= -0.123 USER MOD Single : A 5 SER OG : rot 180:sc= -0.0148 USER MOD Single : A 7 SER OG : rot -97:sc= -0.397 USER MOD Single : A 8 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0444) USER MOD Single : A 9 THR OG1 : rot 35:sc= 0.315 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 14 GLN : amide:sc= 0 K(o=0,f=-0.54) USER MOD Single : A 16 LYS NZ :NH3+ -132:sc= 0.00484 (180deg=-0.0989) USER MOD Single : A 17 LYS NZ :NH3+ 166:sc= -0.0438 (180deg=-0.235) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 SER OG : rot -100:sc= 0.628 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 46 MET CE :methyl -164:sc= -1.18 (180deg=-1.79) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 HIS : no HD1:sc= -0.0453 X(o=-0.045,f=0) USER MOD Single : A 49 LYS NZ :NH3+ -122:sc= -0.164 (180deg=-0.264) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 146:sc= -0.288 (180deg=-0.75) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 ASN : amide:sc= -0.831 K(o=-0.83,f=-0.0037) USER MOD Single : A 64 GLN : amide:sc= 0 K(o=0,f=-2.5!) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 TYR OH : rot -140:sc= -0.371 USER MOD Single : A 70 SER OG : rot 73:sc= 0.471 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -0.097 16.393 8.031 1.00 0.00 N ATOM 2 CA SER A 1 0.186 15.016 8.519 1.00 0.00 C ATOM 3 C SER A 1 1.138 14.281 7.575 1.00 0.00 C ATOM 4 O SER A 1 1.203 14.585 6.382 1.00 0.00 O ATOM 5 CB SER A 1 -1.117 14.223 8.659 1.00 0.00 C ATOM 6 OG SER A 1 -1.798 14.131 7.418 1.00 0.00 O ATOM 0 H1 SER A 1 -1.080 16.647 8.258 1.00 0.00 H new ATOM 0 H2 SER A 1 0.550 17.064 8.492 1.00 0.00 H new ATOM 0 H3 SER A 1 0.041 16.431 7.001 1.00 0.00 H new ATOM 0 HA SER A 1 0.664 15.100 9.495 1.00 0.00 H new ATOM 0 HB2 SER A 1 -0.898 13.222 9.032 1.00 0.00 H new ATOM 0 HB3 SER A 1 -1.761 14.704 9.395 1.00 0.00 H new ATOM 0 HG SER A 1 -2.763 14.074 7.578 1.00 0.00 H new ATOM 14 N ASP A 2 1.871 13.311 8.120 1.00 0.00 N ATOM 15 CA ASP A 2 2.821 12.527 7.334 1.00 0.00 C ATOM 16 C ASP A 2 2.301 11.105 7.109 1.00 0.00 C ATOM 17 O ASP A 2 1.445 10.620 7.852 1.00 0.00 O ATOM 18 CB ASP A 2 4.181 12.489 8.041 1.00 0.00 C ATOM 19 CG ASP A 2 5.293 11.974 7.147 1.00 0.00 C ATOM 20 OD1 ASP A 2 5.866 12.783 6.388 1.00 0.00 O ATOM 21 OD2 ASP A 2 5.591 10.762 7.205 1.00 0.00 O ATOM 0 H ASP A 2 1.824 13.049 9.105 1.00 0.00 H new ATOM 0 HA ASP A 2 2.939 13.004 6.361 1.00 0.00 H new ATOM 0 HB2 ASP A 2 4.434 13.491 8.387 1.00 0.00 H new ATOM 0 HB3 ASP A 2 4.108 11.855 8.925 1.00 0.00 H new ATOM 26 N VAL A 3 2.827 10.444 6.075 1.00 0.00 N ATOM 27 CA VAL A 3 2.429 9.076 5.739 1.00 0.00 C ATOM 28 C VAL A 3 2.701 8.115 6.900 1.00 0.00 C ATOM 29 O VAL A 3 1.921 7.192 7.143 1.00 0.00 O ATOM 30 CB VAL A 3 3.154 8.569 4.469 1.00 0.00 C ATOM 31 CG1 VAL A 3 4.655 8.451 4.700 1.00 0.00 C ATOM 32 CG2 VAL A 3 2.572 7.239 4.013 1.00 0.00 C ATOM 0 H VAL A 3 3.533 10.837 5.453 1.00 0.00 H new ATOM 0 HA VAL A 3 1.357 9.100 5.544 1.00 0.00 H new ATOM 0 HB VAL A 3 2.996 9.302 3.678 1.00 0.00 H new ATOM 0 HG11 VAL A 3 5.136 8.093 3.790 1.00 0.00 H new ATOM 0 HG12 VAL A 3 5.060 9.428 4.964 1.00 0.00 H new ATOM 0 HG13 VAL A 3 4.844 7.748 5.511 1.00 0.00 H new ATOM 0 HG21 VAL A 3 3.096 6.900 3.119 1.00 0.00 H new ATOM 0 HG22 VAL A 3 2.690 6.499 4.805 1.00 0.00 H new ATOM 0 HG23 VAL A 3 1.513 7.363 3.788 1.00 0.00 H new ATOM 42 N TRP A 4 3.805 8.339 7.615 1.00 0.00 N ATOM 43 CA TRP A 4 4.168 7.495 8.749 1.00 0.00 C ATOM 44 C TRP A 4 3.324 7.842 9.974 1.00 0.00 C ATOM 45 O TRP A 4 2.923 6.951 10.726 1.00 0.00 O ATOM 46 CB TRP A 4 5.658 7.641 9.076 1.00 0.00 C ATOM 47 CG TRP A 4 6.405 6.343 9.010 1.00 0.00 C ATOM 48 CD1 TRP A 4 6.134 5.207 9.719 1.00 0.00 C ATOM 49 CD2 TRP A 4 7.545 6.045 8.193 1.00 0.00 C ATOM 50 NE1 TRP A 4 7.032 4.221 9.391 1.00 0.00 N ATOM 51 CE2 TRP A 4 7.909 4.711 8.458 1.00 0.00 C ATOM 52 CE3 TRP A 4 8.293 6.774 7.264 1.00 0.00 C ATOM 53 CZ2 TRP A 4 8.986 4.093 7.828 1.00 0.00 C ATOM 54 CZ3 TRP A 4 9.362 6.159 6.640 1.00 0.00 C ATOM 55 CH2 TRP A 4 9.700 4.831 6.925 1.00 0.00 C ATOM 0 H TRP A 4 4.461 9.097 7.427 1.00 0.00 H new ATOM 0 HA TRP A 4 3.971 6.459 8.475 1.00 0.00 H new ATOM 0 HB2 TRP A 4 6.109 8.348 8.380 1.00 0.00 H new ATOM 0 HB3 TRP A 4 5.765 8.064 10.075 1.00 0.00 H new ATOM 0 HD1 TRP A 4 5.331 5.100 10.433 1.00 0.00 H new ATOM 0 HE1 TRP A 4 7.044 3.278 9.779 1.00 0.00 H new ATOM 0 HE3 TRP A 4 8.040 7.799 7.038 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 9.248 3.068 8.045 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 9.947 6.713 5.920 1.00 0.00 H new ATOM 0 HH2 TRP A 4 10.542 4.380 6.421 1.00 0.00 H new ATOM 66 N SER A 5 3.057 9.137 10.175 1.00 0.00 N ATOM 67 CA SER A 5 2.233 9.586 11.298 1.00 0.00 C ATOM 68 C SER A 5 0.851 8.937 11.228 1.00 0.00 C ATOM 69 O SER A 5 0.400 8.313 12.190 1.00 0.00 O ATOM 70 CB SER A 5 2.096 11.112 11.285 1.00 0.00 C ATOM 71 OG SER A 5 3.365 11.740 11.343 1.00 0.00 O ATOM 0 H SER A 5 3.399 9.889 9.576 1.00 0.00 H new ATOM 0 HA SER A 5 2.720 9.287 12.226 1.00 0.00 H new ATOM 0 HB2 SER A 5 1.573 11.425 10.381 1.00 0.00 H new ATOM 0 HB3 SER A 5 1.489 11.433 12.132 1.00 0.00 H new ATOM 0 HG SER A 5 3.249 12.713 11.332 1.00 0.00 H new ATOM 77 N LEU A 6 0.189 9.089 10.080 1.00 0.00 N ATOM 78 CA LEU A 6 -1.135 8.512 9.867 1.00 0.00 C ATOM 79 C LEU A 6 -1.020 7.176 9.134 1.00 0.00 C ATOM 80 O LEU A 6 -1.545 7.006 8.031 1.00 0.00 O ATOM 81 CB LEU A 6 -2.021 9.481 9.076 1.00 0.00 C ATOM 82 CG LEU A 6 -2.466 10.732 9.838 1.00 0.00 C ATOM 83 CD1 LEU A 6 -3.289 11.637 8.935 1.00 0.00 C ATOM 84 CD2 LEU A 6 -3.262 10.349 11.077 1.00 0.00 C ATOM 0 H LEU A 6 0.552 9.610 9.281 1.00 0.00 H new ATOM 0 HA LEU A 6 -1.597 8.337 10.839 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -1.481 9.793 8.182 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -2.909 8.945 8.741 1.00 0.00 H new ATOM 0 HG LEU A 6 -1.577 11.276 10.157 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -3.598 12.522 9.491 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -2.688 11.939 8.077 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -4.172 11.100 8.588 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -3.569 11.251 11.605 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -4.145 9.783 10.781 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -2.642 9.738 11.733 1.00 0.00 H new ATOM 96 N SER A 7 -0.323 6.229 9.762 1.00 0.00 N ATOM 97 CA SER A 7 -0.119 4.905 9.181 1.00 0.00 C ATOM 98 C SER A 7 -1.120 3.873 9.719 1.00 0.00 C ATOM 99 O SER A 7 -1.009 2.684 9.420 1.00 0.00 O ATOM 100 CB SER A 7 1.315 4.434 9.439 1.00 0.00 C ATOM 101 OG SER A 7 1.579 4.332 10.829 1.00 0.00 O ATOM 0 H SER A 7 0.111 6.356 10.676 1.00 0.00 H new ATOM 0 HA SER A 7 -0.288 4.991 8.108 1.00 0.00 H new ATOM 0 HB2 SER A 7 1.474 3.466 8.964 1.00 0.00 H new ATOM 0 HB3 SER A 7 2.017 5.132 8.983 1.00 0.00 H new ATOM 0 HG SER A 7 2.037 5.143 11.135 1.00 0.00 H new ATOM 107 N LYS A 8 -2.097 4.329 10.510 1.00 0.00 N ATOM 108 CA LYS A 8 -3.112 3.442 11.071 1.00 0.00 C ATOM 109 C LYS A 8 -4.429 3.532 10.289 1.00 0.00 C ATOM 110 O LYS A 8 -5.494 3.201 10.816 1.00 0.00 O ATOM 111 CB LYS A 8 -3.348 3.793 12.543 1.00 0.00 C ATOM 112 CG LYS A 8 -2.096 3.687 13.403 1.00 0.00 C ATOM 113 CD LYS A 8 -1.499 2.286 13.360 1.00 0.00 C ATOM 114 CE LYS A 8 -2.437 1.255 13.970 1.00 0.00 C ATOM 115 NZ LYS A 8 -2.566 1.416 15.446 1.00 0.00 N ATOM 0 H LYS A 8 -2.203 5.308 10.774 1.00 0.00 H new ATOM 0 HA LYS A 8 -2.749 2.417 10.994 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -3.738 4.809 12.608 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -4.114 3.131 12.948 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -1.356 4.409 13.058 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -2.339 3.947 14.433 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -1.282 2.014 12.327 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -0.551 2.278 13.897 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -3.421 1.343 13.509 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -2.069 0.254 13.746 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -3.117 0.624 15.835 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -1.620 1.424 15.878 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -3.051 2.312 15.656 1.00 0.00 H new ATOM 129 N THR A 9 -4.350 3.969 9.027 1.00 0.00 N ATOM 130 CA THR A 9 -5.534 4.100 8.179 1.00 0.00 C ATOM 131 C THR A 9 -5.530 3.060 7.060 1.00 0.00 C ATOM 132 O THR A 9 -4.648 3.065 6.198 1.00 0.00 O ATOM 133 CB THR A 9 -5.632 5.510 7.560 1.00 0.00 C ATOM 134 OG1 THR A 9 -4.410 5.843 6.888 1.00 0.00 O ATOM 135 CG2 THR A 9 -5.929 6.553 8.629 1.00 0.00 C ATOM 0 H THR A 9 -3.477 4.237 8.573 1.00 0.00 H new ATOM 0 HA THR A 9 -6.400 3.934 8.820 1.00 0.00 H new ATOM 0 HB THR A 9 -6.450 5.506 6.840 1.00 0.00 H new ATOM 0 HG1 THR A 9 -4.029 5.036 6.483 1.00 0.00 H new ATOM 0 HG21 THR A 9 -5.993 7.539 8.168 1.00 0.00 H new ATOM 0 HG22 THR A 9 -6.876 6.317 9.114 1.00 0.00 H new ATOM 0 HG23 THR A 9 -5.131 6.551 9.371 1.00 0.00 H new ATOM 143 N SER A 10 -6.522 2.169 7.082 1.00 0.00 N ATOM 144 CA SER A 10 -6.639 1.117 6.072 1.00 0.00 C ATOM 145 C SER A 10 -7.715 1.457 5.039 1.00 0.00 C ATOM 146 O SER A 10 -8.474 2.414 5.207 1.00 0.00 O ATOM 147 CB SER A 10 -6.964 -0.225 6.737 1.00 0.00 C ATOM 148 OG SER A 10 -8.168 -0.153 7.483 1.00 0.00 O ATOM 0 H SER A 10 -7.257 2.155 7.789 1.00 0.00 H new ATOM 0 HA SER A 10 -5.681 1.042 5.557 1.00 0.00 H new ATOM 0 HB2 SER A 10 -7.052 -0.999 5.975 1.00 0.00 H new ATOM 0 HB3 SER A 10 -6.144 -0.516 7.393 1.00 0.00 H new ATOM 0 HG SER A 10 -8.351 -1.024 7.894 1.00 0.00 H new ATOM 154 N MET A 11 -7.771 0.662 3.969 1.00 0.00 N ATOM 155 CA MET A 11 -8.752 0.862 2.904 1.00 0.00 C ATOM 156 C MET A 11 -9.347 -0.474 2.466 1.00 0.00 C ATOM 157 O MET A 11 -8.637 -1.478 2.372 1.00 0.00 O ATOM 158 CB MET A 11 -8.108 1.564 1.706 1.00 0.00 C ATOM 159 CG MET A 11 -9.100 1.974 0.629 1.00 0.00 C ATOM 160 SD MET A 11 -10.287 3.203 1.205 1.00 0.00 S ATOM 161 CE MET A 11 -11.259 3.452 -0.279 1.00 0.00 C ATOM 0 H MET A 11 -7.145 -0.129 3.818 1.00 0.00 H new ATOM 0 HA MET A 11 -9.552 1.492 3.292 1.00 0.00 H new ATOM 0 HB2 MET A 11 -7.580 2.451 2.057 1.00 0.00 H new ATOM 0 HB3 MET A 11 -7.362 0.902 1.267 1.00 0.00 H new ATOM 0 HG2 MET A 11 -8.556 2.374 -0.227 1.00 0.00 H new ATOM 0 HG3 MET A 11 -9.637 1.092 0.281 1.00 0.00 H new ATOM 0 HE1 MET A 11 -12.039 4.188 -0.084 1.00 0.00 H new ATOM 0 HE2 MET A 11 -10.614 3.811 -1.081 1.00 0.00 H new ATOM 0 HE3 MET A 11 -11.717 2.509 -0.576 1.00 0.00 H new ATOM 171 N THR A 12 -10.650 -0.480 2.191 1.00 0.00 N ATOM 172 CA THR A 12 -11.338 -1.695 1.767 1.00 0.00 C ATOM 173 C THR A 12 -11.271 -1.873 0.251 1.00 0.00 C ATOM 174 O THR A 12 -11.671 -0.990 -0.510 1.00 0.00 O ATOM 175 CB THR A 12 -12.816 -1.694 2.214 1.00 0.00 C ATOM 176 OG1 THR A 12 -12.902 -1.492 3.631 1.00 0.00 O ATOM 177 CG2 THR A 12 -13.499 -3.005 1.845 1.00 0.00 C ATOM 0 H THR A 12 -11.249 0.343 2.255 1.00 0.00 H new ATOM 0 HA THR A 12 -10.824 -2.528 2.246 1.00 0.00 H new ATOM 0 HB THR A 12 -13.324 -0.879 1.698 1.00 0.00 H new ATOM 0 HG1 THR A 12 -13.843 -1.491 3.905 1.00 0.00 H new ATOM 0 HG21 THR A 12 -14.539 -2.978 2.171 1.00 0.00 H new ATOM 0 HG22 THR A 12 -13.461 -3.144 0.765 1.00 0.00 H new ATOM 0 HG23 THR A 12 -12.987 -3.833 2.335 1.00 0.00 H new ATOM 185 N PHE A 13 -10.756 -3.027 -0.171 1.00 0.00 N ATOM 186 CA PHE A 13 -10.646 -3.364 -1.587 1.00 0.00 C ATOM 187 C PHE A 13 -11.682 -4.423 -1.950 1.00 0.00 C ATOM 188 O PHE A 13 -11.983 -5.305 -1.145 1.00 0.00 O ATOM 189 CB PHE A 13 -9.237 -3.875 -1.909 1.00 0.00 C ATOM 190 CG PHE A 13 -8.187 -2.800 -1.917 1.00 0.00 C ATOM 191 CD1 PHE A 13 -8.439 -1.562 -2.491 1.00 0.00 C ATOM 192 CD2 PHE A 13 -6.945 -3.031 -1.352 1.00 0.00 C ATOM 193 CE1 PHE A 13 -7.471 -0.577 -2.498 1.00 0.00 C ATOM 194 CE2 PHE A 13 -5.974 -2.051 -1.357 1.00 0.00 C ATOM 195 CZ PHE A 13 -6.236 -0.822 -1.930 1.00 0.00 C ATOM 0 H PHE A 13 -10.405 -3.751 0.457 1.00 0.00 H new ATOM 0 HA PHE A 13 -10.832 -2.466 -2.176 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -8.960 -4.634 -1.177 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -9.252 -4.362 -2.884 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -9.403 -1.367 -2.937 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -6.733 -3.990 -0.902 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -7.679 0.383 -2.947 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -5.009 -2.245 -0.913 1.00 0.00 H new ATOM 0 HZ PHE A 13 -5.477 -0.054 -1.934 1.00 0.00 H new ATOM 205 N GLN A 14 -12.224 -4.331 -3.163 1.00 0.00 N ATOM 206 CA GLN A 14 -13.225 -5.285 -3.627 1.00 0.00 C ATOM 207 C GLN A 14 -12.708 -6.079 -4.827 1.00 0.00 C ATOM 208 O GLN A 14 -12.160 -5.506 -5.771 1.00 0.00 O ATOM 209 CB GLN A 14 -14.524 -4.561 -3.994 1.00 0.00 C ATOM 210 CG GLN A 14 -15.634 -5.492 -4.461 1.00 0.00 C ATOM 211 CD GLN A 14 -16.910 -4.753 -4.827 1.00 0.00 C ATOM 212 OE1 GLN A 14 -17.215 -3.699 -4.269 1.00 0.00 O ATOM 213 NE2 GLN A 14 -17.666 -5.307 -5.770 1.00 0.00 N ATOM 0 H GLN A 14 -11.986 -3.606 -3.840 1.00 0.00 H new ATOM 0 HA GLN A 14 -13.428 -5.983 -2.815 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -14.874 -4.000 -3.128 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -14.315 -3.836 -4.781 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -15.287 -6.058 -5.326 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -15.851 -6.214 -3.674 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -17.376 -6.182 -6.207 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -18.536 -4.857 -6.056 1.00 0.00 H new ATOM 222 N PRO A 15 -12.879 -7.415 -4.799 1.00 0.00 N ATOM 223 CA PRO A 15 -12.433 -8.295 -5.884 1.00 0.00 C ATOM 224 C PRO A 15 -13.270 -8.135 -7.151 1.00 0.00 C ATOM 225 O PRO A 15 -14.463 -7.830 -7.086 1.00 0.00 O ATOM 226 CB PRO A 15 -12.606 -9.698 -5.300 1.00 0.00 C ATOM 227 CG PRO A 15 -13.657 -9.558 -4.257 1.00 0.00 C ATOM 228 CD PRO A 15 -13.519 -8.167 -3.703 1.00 0.00 C ATOM 0 HA PRO A 15 -11.412 -8.070 -6.193 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -12.906 -10.410 -6.068 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -11.673 -10.065 -4.872 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -14.649 -9.711 -4.682 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -13.528 -10.304 -3.472 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -14.488 -7.743 -3.439 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -12.909 -8.155 -2.800 1.00 0.00 H new ATOM 236 N LYS A 16 -12.633 -8.348 -8.302 1.00 0.00 N ATOM 237 CA LYS A 16 -13.313 -8.244 -9.592 1.00 0.00 C ATOM 238 C LYS A 16 -14.264 -9.424 -9.796 1.00 0.00 C ATOM 239 O LYS A 16 -15.352 -9.264 -10.351 1.00 0.00 O ATOM 240 CB LYS A 16 -12.293 -8.199 -10.734 1.00 0.00 C ATOM 241 CG LYS A 16 -11.362 -6.997 -10.685 1.00 0.00 C ATOM 242 CD LYS A 16 -12.113 -5.690 -10.875 1.00 0.00 C ATOM 243 CE LYS A 16 -11.168 -4.501 -10.823 1.00 0.00 C ATOM 244 NZ LYS A 16 -11.891 -3.204 -10.927 1.00 0.00 N ATOM 0 H LYS A 16 -11.645 -8.594 -8.367 1.00 0.00 H new ATOM 0 HA LYS A 16 -13.891 -7.320 -9.596 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -11.695 -9.110 -10.709 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -12.827 -8.194 -11.684 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -10.841 -6.980 -9.728 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -10.602 -7.095 -11.460 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -12.634 -5.703 -11.833 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -12.873 -5.588 -10.100 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -10.605 -4.527 -9.890 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -10.445 -4.578 -11.635 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -11.423 -2.601 -11.634 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -12.875 -3.377 -11.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -11.881 -2.726 -10.003 1.00 0.00 H new ATOM 258 N LYS A 17 -13.844 -10.606 -9.338 1.00 0.00 N ATOM 259 CA LYS A 17 -14.650 -11.817 -9.467 1.00 0.00 C ATOM 260 C LYS A 17 -15.020 -12.380 -8.093 1.00 0.00 C ATOM 261 O LYS A 17 -14.414 -12.024 -7.080 1.00 0.00 O ATOM 262 CB LYS A 17 -13.894 -12.869 -10.285 1.00 0.00 C ATOM 263 CG LYS A 17 -12.624 -13.374 -9.614 1.00 0.00 C ATOM 264 CD LYS A 17 -11.755 -14.168 -10.579 1.00 0.00 C ATOM 265 CE LYS A 17 -11.133 -13.276 -11.647 1.00 0.00 C ATOM 266 NZ LYS A 17 -10.157 -12.307 -11.072 1.00 0.00 N ATOM 0 H LYS A 17 -12.947 -10.748 -8.873 1.00 0.00 H new ATOM 0 HA LYS A 17 -15.573 -11.558 -9.986 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -14.556 -13.715 -10.472 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -13.637 -12.445 -11.256 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -12.057 -12.528 -9.225 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -12.887 -14.000 -8.762 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -10.966 -14.675 -10.024 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -12.356 -14.942 -11.057 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -10.632 -13.897 -12.390 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -11.921 -12.731 -12.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -9.590 -11.890 -11.838 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -10.670 -11.554 -10.571 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -9.529 -12.801 -10.406 1.00 0.00 H new ATOM 280 N ALA A 18 -16.019 -13.265 -8.073 1.00 0.00 N ATOM 281 CA ALA A 18 -16.480 -13.886 -6.829 1.00 0.00 C ATOM 282 C ALA A 18 -15.389 -14.744 -6.182 1.00 0.00 C ATOM 283 O ALA A 18 -15.336 -14.864 -4.957 1.00 0.00 O ATOM 284 CB ALA A 18 -17.726 -14.723 -7.087 1.00 0.00 C ATOM 0 H ALA A 18 -16.525 -13.568 -8.905 1.00 0.00 H new ATOM 0 HA ALA A 18 -16.724 -13.084 -6.132 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -18.058 -15.179 -6.154 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -18.517 -14.085 -7.481 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -17.496 -15.505 -7.811 1.00 0.00 H new ATOM 290 N SER A 19 -14.523 -15.338 -7.010 1.00 0.00 N ATOM 291 CA SER A 19 -13.434 -16.182 -6.515 1.00 0.00 C ATOM 292 C SER A 19 -12.503 -15.404 -5.583 1.00 0.00 C ATOM 293 O SER A 19 -12.119 -15.902 -4.523 1.00 0.00 O ATOM 294 CB SER A 19 -12.632 -16.758 -7.685 1.00 0.00 C ATOM 295 OG SER A 19 -13.447 -17.565 -8.517 1.00 0.00 O ATOM 0 H SER A 19 -14.556 -15.249 -8.026 1.00 0.00 H new ATOM 0 HA SER A 19 -13.881 -16.998 -5.947 1.00 0.00 H new ATOM 0 HB2 SER A 19 -12.203 -15.945 -8.270 1.00 0.00 H new ATOM 0 HB3 SER A 19 -11.800 -17.349 -7.303 1.00 0.00 H new ATOM 0 HG SER A 19 -12.910 -17.919 -9.257 1.00 0.00 H new ATOM 301 N LEU A 20 -12.145 -14.181 -5.984 1.00 0.00 N ATOM 302 CA LEU A 20 -11.261 -13.334 -5.187 1.00 0.00 C ATOM 303 C LEU A 20 -11.956 -12.854 -3.911 1.00 0.00 C ATOM 304 O LEU A 20 -13.186 -12.820 -3.838 1.00 0.00 O ATOM 305 CB LEU A 20 -10.797 -12.133 -6.014 1.00 0.00 C ATOM 306 CG LEU A 20 -9.906 -12.465 -7.215 1.00 0.00 C ATOM 307 CD1 LEU A 20 -9.576 -11.201 -7.994 1.00 0.00 C ATOM 308 CD2 LEU A 20 -8.629 -13.161 -6.766 1.00 0.00 C ATOM 0 H LEU A 20 -12.456 -13.757 -6.858 1.00 0.00 H new ATOM 0 HA LEU A 20 -10.394 -13.929 -4.898 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -11.677 -11.599 -6.373 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -10.255 -11.450 -5.359 1.00 0.00 H new ATOM 0 HG LEU A 20 -10.452 -13.145 -7.868 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -8.942 -11.453 -8.844 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -10.498 -10.743 -8.352 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -9.051 -10.500 -7.345 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -8.012 -13.387 -7.636 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -8.077 -12.508 -6.090 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -8.882 -14.087 -6.250 1.00 0.00 H new ATOM 320 N GLN A 21 -11.156 -12.480 -2.912 1.00 0.00 N ATOM 321 CA GLN A 21 -11.685 -12.011 -1.630 1.00 0.00 C ATOM 322 C GLN A 21 -11.228 -10.580 -1.336 1.00 0.00 C ATOM 323 O GLN A 21 -10.064 -10.238 -1.552 1.00 0.00 O ATOM 324 CB GLN A 21 -11.236 -12.947 -0.503 1.00 0.00 C ATOM 325 CG GLN A 21 -11.790 -12.572 0.864 1.00 0.00 C ATOM 326 CD GLN A 21 -11.368 -13.542 1.952 1.00 0.00 C ATOM 327 OE1 GLN A 21 -12.051 -14.532 2.214 1.00 0.00 O ATOM 328 NE2 GLN A 21 -10.237 -13.263 2.594 1.00 0.00 N ATOM 0 H GLN A 21 -10.137 -12.493 -2.966 1.00 0.00 H new ATOM 0 HA GLN A 21 -12.773 -12.015 -1.689 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -11.545 -13.964 -0.743 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -10.147 -12.947 -0.456 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -11.452 -11.569 1.126 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -12.878 -12.539 0.814 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -9.701 -12.432 2.345 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -9.906 -13.881 3.335 1.00 0.00 H new ATOM 337 N PRO A 22 -12.142 -9.727 -0.824 1.00 0.00 N ATOM 338 CA PRO A 22 -11.833 -8.325 -0.496 1.00 0.00 C ATOM 339 C PRO A 22 -10.638 -8.187 0.449 1.00 0.00 C ATOM 340 O PRO A 22 -10.382 -9.066 1.275 1.00 0.00 O ATOM 341 CB PRO A 22 -13.112 -7.826 0.185 1.00 0.00 C ATOM 342 CG PRO A 22 -14.188 -8.717 -0.329 1.00 0.00 C ATOM 343 CD PRO A 22 -13.549 -10.061 -0.529 1.00 0.00 C ATOM 0 HA PRO A 22 -11.555 -7.758 -1.384 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -13.032 -7.887 1.270 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -13.310 -6.783 -0.062 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -15.015 -8.779 0.378 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -14.597 -8.336 -1.265 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -13.636 -10.684 0.361 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -14.013 -10.609 -1.349 1.00 0.00 H new ATOM 351 N LEU A 23 -9.914 -7.074 0.318 1.00 0.00 N ATOM 352 CA LEU A 23 -8.741 -6.811 1.151 1.00 0.00 C ATOM 353 C LEU A 23 -8.939 -5.562 2.005 1.00 0.00 C ATOM 354 O LEU A 23 -9.658 -4.643 1.616 1.00 0.00 O ATOM 355 CB LEU A 23 -7.497 -6.643 0.278 1.00 0.00 C ATOM 356 CG LEU A 23 -6.297 -7.491 0.694 1.00 0.00 C ATOM 357 CD1 LEU A 23 -6.511 -8.944 0.297 1.00 0.00 C ATOM 358 CD2 LEU A 23 -5.019 -6.946 0.077 1.00 0.00 C ATOM 0 H LEU A 23 -10.121 -6.339 -0.359 1.00 0.00 H new ATOM 0 HA LEU A 23 -8.606 -7.666 1.814 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -7.758 -6.890 -0.751 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -7.203 -5.594 0.289 1.00 0.00 H new ATOM 0 HG LEU A 23 -6.198 -7.443 1.778 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -5.647 -9.535 0.600 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -7.404 -9.328 0.789 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -6.635 -9.011 -0.784 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -4.175 -7.563 0.385 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -5.104 -6.963 -1.010 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -4.861 -5.921 0.413 1.00 0.00 H new ATOM 370 N THR A 24 -8.294 -5.535 3.171 1.00 0.00 N ATOM 371 CA THR A 24 -8.395 -4.391 4.074 1.00 0.00 C ATOM 372 C THR A 24 -7.178 -4.298 4.994 1.00 0.00 C ATOM 373 O THR A 24 -7.177 -4.858 6.094 1.00 0.00 O ATOM 374 CB THR A 24 -9.679 -4.450 4.934 1.00 0.00 C ATOM 375 OG1 THR A 24 -10.836 -4.531 4.093 1.00 0.00 O ATOM 376 CG2 THR A 24 -9.789 -3.222 5.828 1.00 0.00 C ATOM 0 H THR A 24 -7.698 -6.290 3.511 1.00 0.00 H new ATOM 0 HA THR A 24 -8.436 -3.503 3.443 1.00 0.00 H new ATOM 0 HB THR A 24 -9.623 -5.339 5.562 1.00 0.00 H new ATOM 0 HG1 THR A 24 -11.642 -4.569 4.649 1.00 0.00 H new ATOM 0 HG21 THR A 24 -10.700 -3.286 6.423 1.00 0.00 H new ATOM 0 HG22 THR A 24 -8.925 -3.176 6.491 1.00 0.00 H new ATOM 0 HG23 THR A 24 -9.821 -2.324 5.211 1.00 0.00 H new ATOM 384 N ILE A 25 -6.137 -3.604 4.536 1.00 0.00 N ATOM 385 CA ILE A 25 -4.912 -3.464 5.323 1.00 0.00 C ATOM 386 C ILE A 25 -4.430 -2.011 5.380 1.00 0.00 C ATOM 387 O ILE A 25 -4.813 -1.186 4.547 1.00 0.00 O ATOM 388 CB ILE A 25 -3.796 -4.372 4.760 1.00 0.00 C ATOM 389 CG1 ILE A 25 -2.726 -4.627 5.823 1.00 0.00 C ATOM 390 CG2 ILE A 25 -3.178 -3.761 3.508 1.00 0.00 C ATOM 391 CD1 ILE A 25 -2.027 -5.957 5.662 1.00 0.00 C ATOM 0 H ILE A 25 -6.116 -3.133 3.631 1.00 0.00 H new ATOM 0 HA ILE A 25 -5.147 -3.776 6.341 1.00 0.00 H new ATOM 0 HB ILE A 25 -4.241 -5.328 4.483 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -1.986 -3.828 5.782 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -3.187 -4.584 6.810 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -2.395 -4.419 3.131 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -3.947 -3.638 2.746 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -2.749 -2.789 3.751 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -1.281 -6.073 6.448 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -2.758 -6.763 5.733 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -1.538 -5.995 4.689 1.00 0.00 H new ATOM 403 N SER A 26 -3.584 -1.710 6.371 1.00 0.00 N ATOM 404 CA SER A 26 -3.056 -0.359 6.557 1.00 0.00 C ATOM 405 C SER A 26 -1.525 -0.316 6.445 1.00 0.00 C ATOM 406 O SER A 26 -0.865 -1.351 6.331 1.00 0.00 O ATOM 407 CB SER A 26 -3.493 0.175 7.925 1.00 0.00 C ATOM 408 OG SER A 26 -3.116 1.529 8.096 1.00 0.00 O ATOM 0 H SER A 26 -3.251 -2.387 7.057 1.00 0.00 H new ATOM 0 HA SER A 26 -3.458 0.269 5.762 1.00 0.00 H new ATOM 0 HB2 SER A 26 -4.574 0.082 8.025 1.00 0.00 H new ATOM 0 HB3 SER A 26 -3.046 -0.431 8.713 1.00 0.00 H new ATOM 0 HG SER A 26 -2.299 1.575 8.635 1.00 0.00 H new ATOM 414 N LEU A 27 -0.981 0.905 6.482 1.00 0.00 N ATOM 415 CA LEU A 27 0.464 1.145 6.394 1.00 0.00 C ATOM 416 C LEU A 27 1.232 0.442 7.514 1.00 0.00 C ATOM 417 O LEU A 27 2.040 -0.451 7.256 1.00 0.00 O ATOM 418 CB LEU A 27 0.743 2.652 6.457 1.00 0.00 C ATOM 419 CG LEU A 27 0.101 3.479 5.339 1.00 0.00 C ATOM 420 CD1 LEU A 27 0.467 4.949 5.482 1.00 0.00 C ATOM 421 CD2 LEU A 27 0.521 2.951 3.975 1.00 0.00 C ATOM 0 H LEU A 27 -1.532 1.758 6.574 1.00 0.00 H new ATOM 0 HA LEU A 27 0.807 0.735 5.444 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.391 3.031 7.416 1.00 0.00 H new ATOM 0 HB3 LEU A 27 1.821 2.808 6.429 1.00 0.00 H new ATOM 0 HG LEU A 27 -0.982 3.387 5.423 1.00 0.00 H new ATOM 0 HD11 LEU A 27 0.001 5.520 4.679 1.00 0.00 H new ATOM 0 HD12 LEU A 27 0.112 5.320 6.444 1.00 0.00 H new ATOM 0 HD13 LEU A 27 1.550 5.061 5.427 1.00 0.00 H new ATOM 0 HD21 LEU A 27 0.055 3.551 3.193 1.00 0.00 H new ATOM 0 HD22 LEU A 27 1.605 3.010 3.880 1.00 0.00 H new ATOM 0 HD23 LEU A 27 0.204 1.913 3.873 1.00 0.00 H new ATOM 433 N ASP A 28 0.970 0.850 8.756 1.00 0.00 N ATOM 434 CA ASP A 28 1.643 0.277 9.921 1.00 0.00 C ATOM 435 C ASP A 28 1.340 -1.215 10.056 1.00 0.00 C ATOM 436 O ASP A 28 2.174 -1.985 10.535 1.00 0.00 O ATOM 437 CB ASP A 28 1.213 1.014 11.193 1.00 0.00 C ATOM 438 CG ASP A 28 2.013 0.595 12.412 1.00 0.00 C ATOM 439 OD1 ASP A 28 3.123 1.133 12.606 1.00 0.00 O ATOM 440 OD2 ASP A 28 1.528 -0.268 13.174 1.00 0.00 O ATOM 0 H ASP A 28 0.293 1.579 8.981 1.00 0.00 H new ATOM 0 HA ASP A 28 2.718 0.395 9.781 1.00 0.00 H new ATOM 0 HB2 ASP A 28 1.325 2.088 11.041 1.00 0.00 H new ATOM 0 HB3 ASP A 28 0.155 0.827 11.376 1.00 0.00 H new ATOM 445 N GLU A 29 0.141 -1.611 9.630 1.00 0.00 N ATOM 446 CA GLU A 29 -0.285 -3.005 9.702 1.00 0.00 C ATOM 447 C GLU A 29 0.300 -3.858 8.569 1.00 0.00 C ATOM 448 O GLU A 29 0.045 -5.063 8.515 1.00 0.00 O ATOM 449 CB GLU A 29 -1.816 -3.086 9.669 1.00 0.00 C ATOM 450 CG GLU A 29 -2.482 -2.726 10.991 1.00 0.00 C ATOM 451 CD GLU A 29 -2.048 -1.372 11.524 1.00 0.00 C ATOM 452 OE1 GLU A 29 -2.614 -0.348 11.084 1.00 0.00 O ATOM 453 OE2 GLU A 29 -1.140 -1.337 12.380 1.00 0.00 O ATOM 0 H GLU A 29 -0.554 -0.981 9.230 1.00 0.00 H new ATOM 0 HA GLU A 29 0.093 -3.407 10.642 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -2.189 -2.418 8.892 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -2.111 -4.097 9.389 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -3.564 -2.729 10.859 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -2.249 -3.493 11.730 1.00 0.00 H new ATOM 460 N LEU A 30 1.085 -3.251 7.666 1.00 0.00 N ATOM 461 CA LEU A 30 1.666 -4.006 6.556 1.00 0.00 C ATOM 462 C LEU A 30 3.165 -3.731 6.349 1.00 0.00 C ATOM 463 O LEU A 30 3.735 -4.143 5.338 1.00 0.00 O ATOM 464 CB LEU A 30 0.894 -3.718 5.265 1.00 0.00 C ATOM 465 CG LEU A 30 1.230 -4.625 4.076 1.00 0.00 C ATOM 466 CD1 LEU A 30 1.184 -6.090 4.483 1.00 0.00 C ATOM 467 CD2 LEU A 30 0.274 -4.364 2.924 1.00 0.00 C ATOM 0 H LEU A 30 1.326 -2.260 7.684 1.00 0.00 H new ATOM 0 HA LEU A 30 1.578 -5.061 6.817 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -0.172 -3.803 5.474 1.00 0.00 H new ATOM 0 HB3 LEU A 30 1.080 -2.684 4.974 1.00 0.00 H new ATOM 0 HG LEU A 30 2.243 -4.395 3.747 1.00 0.00 H new ATOM 0 HD11 LEU A 30 1.426 -6.714 3.623 1.00 0.00 H new ATOM 0 HD12 LEU A 30 1.909 -6.270 5.277 1.00 0.00 H new ATOM 0 HD13 LEU A 30 0.185 -6.337 4.841 1.00 0.00 H new ATOM 0 HD21 LEU A 30 0.526 -5.016 2.087 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -0.748 -4.565 3.246 1.00 0.00 H new ATOM 0 HD23 LEU A 30 0.357 -3.323 2.611 1.00 0.00 H new ATOM 479 N PHE A 31 3.810 -3.048 7.306 1.00 0.00 N ATOM 480 CA PHE A 31 5.245 -2.778 7.180 1.00 0.00 C ATOM 481 C PHE A 31 5.960 -2.932 8.523 1.00 0.00 C ATOM 482 O PHE A 31 5.410 -2.580 9.569 1.00 0.00 O ATOM 483 CB PHE A 31 5.505 -1.388 6.585 1.00 0.00 C ATOM 484 CG PHE A 31 4.991 -1.225 5.182 1.00 0.00 C ATOM 485 CD1 PHE A 31 5.548 -1.947 4.141 1.00 0.00 C ATOM 486 CD2 PHE A 31 3.953 -0.350 4.905 1.00 0.00 C ATOM 487 CE1 PHE A 31 5.080 -1.801 2.851 1.00 0.00 C ATOM 488 CE2 PHE A 31 3.480 -0.200 3.616 1.00 0.00 C ATOM 489 CZ PHE A 31 4.045 -0.928 2.587 1.00 0.00 C ATOM 0 H PHE A 31 3.374 -2.682 8.152 1.00 0.00 H new ATOM 0 HA PHE A 31 5.653 -3.519 6.492 1.00 0.00 H new ATOM 0 HB2 PHE A 31 5.039 -0.637 7.223 1.00 0.00 H new ATOM 0 HB3 PHE A 31 6.577 -1.193 6.594 1.00 0.00 H new ATOM 0 HD1 PHE A 31 6.358 -2.633 4.340 1.00 0.00 H new ATOM 0 HD2 PHE A 31 3.509 0.221 5.706 1.00 0.00 H new ATOM 0 HE1 PHE A 31 5.524 -2.370 2.048 1.00 0.00 H new ATOM 0 HE2 PHE A 31 2.670 0.485 3.413 1.00 0.00 H new ATOM 0 HZ PHE A 31 3.677 -0.814 1.578 1.00 0.00 H new ATOM 499 N SER A 32 7.186 -3.457 8.487 1.00 0.00 N ATOM 500 CA SER A 32 7.972 -3.658 9.705 1.00 0.00 C ATOM 501 C SER A 32 9.430 -3.223 9.511 1.00 0.00 C ATOM 502 O SER A 32 10.339 -3.814 10.098 1.00 0.00 O ATOM 503 CB SER A 32 7.935 -5.141 10.089 1.00 0.00 C ATOM 504 OG SER A 32 6.605 -5.581 10.312 1.00 0.00 O ATOM 0 H SER A 32 7.655 -3.750 7.630 1.00 0.00 H new ATOM 0 HA SER A 32 7.537 -3.047 10.496 1.00 0.00 H new ATOM 0 HB2 SER A 32 8.389 -5.736 9.297 1.00 0.00 H new ATOM 0 HB3 SER A 32 8.529 -5.301 10.989 1.00 0.00 H new ATOM 0 HG SER A 32 6.611 -6.531 10.554 1.00 0.00 H new ATOM 510 N SER A 33 9.653 -2.183 8.703 1.00 0.00 N ATOM 511 CA SER A 33 11.010 -1.694 8.450 1.00 0.00 C ATOM 512 C SER A 33 11.002 -0.278 7.872 1.00 0.00 C ATOM 513 O SER A 33 10.145 0.060 7.051 1.00 0.00 O ATOM 514 CB SER A 33 11.747 -2.647 7.505 1.00 0.00 C ATOM 515 OG SER A 33 13.021 -2.138 7.148 1.00 0.00 O ATOM 0 H SER A 33 8.919 -1.668 8.217 1.00 0.00 H new ATOM 0 HA SER A 33 11.533 -1.659 9.405 1.00 0.00 H new ATOM 0 HB2 SER A 33 11.863 -3.619 7.984 1.00 0.00 H new ATOM 0 HB3 SER A 33 11.151 -2.804 6.606 1.00 0.00 H new ATOM 0 HG SER A 33 13.468 -2.769 6.546 1.00 0.00 H new ATOM 521 N ARG A 34 11.962 0.546 8.302 1.00 0.00 N ATOM 522 CA ARG A 34 12.069 1.921 7.813 1.00 0.00 C ATOM 523 C ARG A 34 12.441 1.934 6.331 1.00 0.00 C ATOM 524 O ARG A 34 11.758 2.560 5.518 1.00 0.00 O ATOM 525 CB ARG A 34 13.109 2.709 8.621 1.00 0.00 C ATOM 526 CG ARG A 34 12.841 2.733 10.120 1.00 0.00 C ATOM 527 CD ARG A 34 11.490 3.354 10.448 1.00 0.00 C ATOM 528 NE ARG A 34 11.427 4.772 10.089 1.00 0.00 N ATOM 529 CZ ARG A 34 10.432 5.590 10.446 1.00 0.00 C ATOM 530 NH1 ARG A 34 9.418 5.142 11.183 1.00 0.00 N ATOM 531 NH2 ARG A 34 10.453 6.863 10.065 1.00 0.00 N ATOM 0 H ARG A 34 12.673 0.285 8.985 1.00 0.00 H new ATOM 0 HA ARG A 34 11.098 2.399 7.938 1.00 0.00 H new ATOM 0 HB2 ARG A 34 14.094 2.277 8.445 1.00 0.00 H new ATOM 0 HB3 ARG A 34 13.140 3.734 8.252 1.00 0.00 H new ATOM 0 HG2 ARG A 34 12.877 1.716 10.511 1.00 0.00 H new ATOM 0 HG3 ARG A 34 13.629 3.295 10.620 1.00 0.00 H new ATOM 0 HD2 ARG A 34 10.706 2.813 9.919 1.00 0.00 H new ATOM 0 HD3 ARG A 34 11.291 3.242 11.514 1.00 0.00 H new ATOM 0 HE ARG A 34 12.189 5.159 9.532 1.00 0.00 H new ATOM 0 HH11 ARG A 34 9.396 4.167 11.480 1.00 0.00 H new ATOM 0 HH12 ARG A 34 8.663 5.774 11.450 1.00 0.00 H new ATOM 0 HH21 ARG A 34 11.227 7.214 9.501 1.00 0.00 H new ATOM 0 HH22 ARG A 34 9.695 7.489 10.336 1.00 0.00 H new ATOM 545 N GLY A 35 13.530 1.237 5.988 1.00 0.00 N ATOM 546 CA GLY A 35 13.971 1.164 4.603 1.00 0.00 C ATOM 547 C GLY A 35 12.937 0.508 3.708 1.00 0.00 C ATOM 548 O GLY A 35 12.785 0.887 2.545 1.00 0.00 O ATOM 0 H GLY A 35 14.113 0.722 6.648 1.00 0.00 H new ATOM 0 HA2 GLY A 35 14.181 2.169 4.237 1.00 0.00 H new ATOM 0 HA3 GLY A 35 14.904 0.603 4.549 1.00 0.00 H new ATOM 552 N GLU A 36 12.229 -0.485 4.252 1.00 0.00 N ATOM 553 CA GLU A 36 11.187 -1.190 3.510 1.00 0.00 C ATOM 554 C GLU A 36 10.135 -0.203 3.007 1.00 0.00 C ATOM 555 O GLU A 36 9.694 -0.284 1.860 1.00 0.00 O ATOM 556 CB GLU A 36 10.539 -2.252 4.402 1.00 0.00 C ATOM 557 CG GLU A 36 9.402 -3.011 3.740 1.00 0.00 C ATOM 558 CD GLU A 36 8.835 -4.093 4.638 1.00 0.00 C ATOM 559 OE1 GLU A 36 8.085 -3.752 5.578 1.00 0.00 O ATOM 560 OE2 GLU A 36 9.141 -5.281 4.403 1.00 0.00 O ATOM 0 H GLU A 36 12.361 -0.818 5.207 1.00 0.00 H new ATOM 0 HA GLU A 36 11.638 -1.682 2.648 1.00 0.00 H new ATOM 0 HB2 GLU A 36 11.303 -2.964 4.714 1.00 0.00 H new ATOM 0 HB3 GLU A 36 10.163 -1.772 5.305 1.00 0.00 H new ATOM 0 HG2 GLU A 36 8.610 -2.313 3.471 1.00 0.00 H new ATOM 0 HG3 GLU A 36 9.759 -3.461 2.813 1.00 0.00 H new ATOM 567 N PHE A 37 9.744 0.728 3.881 1.00 0.00 N ATOM 568 CA PHE A 37 8.759 1.751 3.538 1.00 0.00 C ATOM 569 C PHE A 37 9.270 2.630 2.393 1.00 0.00 C ATOM 570 O PHE A 37 8.502 3.033 1.519 1.00 0.00 O ATOM 571 CB PHE A 37 8.449 2.611 4.766 1.00 0.00 C ATOM 572 CG PHE A 37 7.071 3.208 4.755 1.00 0.00 C ATOM 573 CD1 PHE A 37 5.988 2.488 5.235 1.00 0.00 C ATOM 574 CD2 PHE A 37 6.858 4.488 4.270 1.00 0.00 C ATOM 575 CE1 PHE A 37 4.719 3.033 5.230 1.00 0.00 C ATOM 576 CE2 PHE A 37 5.591 5.038 4.263 1.00 0.00 C ATOM 577 CZ PHE A 37 4.520 4.310 4.744 1.00 0.00 C ATOM 0 H PHE A 37 10.098 0.792 4.835 1.00 0.00 H new ATOM 0 HA PHE A 37 7.845 1.257 3.210 1.00 0.00 H new ATOM 0 HB2 PHE A 37 8.564 2.002 5.663 1.00 0.00 H new ATOM 0 HB3 PHE A 37 9.183 3.415 4.830 1.00 0.00 H new ATOM 0 HD1 PHE A 37 6.138 1.489 5.617 1.00 0.00 H new ATOM 0 HD2 PHE A 37 7.692 5.062 3.893 1.00 0.00 H new ATOM 0 HE1 PHE A 37 3.883 2.461 5.606 1.00 0.00 H new ATOM 0 HE2 PHE A 37 5.438 6.037 3.882 1.00 0.00 H new ATOM 0 HZ PHE A 37 3.529 4.739 4.740 1.00 0.00 H new ATOM 587 N ILE A 38 10.569 2.943 2.419 1.00 0.00 N ATOM 588 CA ILE A 38 11.193 3.756 1.376 1.00 0.00 C ATOM 589 C ILE A 38 10.975 3.153 -0.015 1.00 0.00 C ATOM 590 O ILE A 38 10.449 3.824 -0.905 1.00 0.00 O ATOM 591 CB ILE A 38 12.711 3.925 1.629 1.00 0.00 C ATOM 592 CG1 ILE A 38 12.956 4.578 2.996 1.00 0.00 C ATOM 593 CG2 ILE A 38 13.352 4.753 0.522 1.00 0.00 C ATOM 594 CD1 ILE A 38 12.166 5.853 3.215 1.00 0.00 C ATOM 0 H ILE A 38 11.209 2.643 3.155 1.00 0.00 H new ATOM 0 HA ILE A 38 10.714 4.734 1.413 1.00 0.00 H new ATOM 0 HB ILE A 38 13.171 2.937 1.628 1.00 0.00 H new ATOM 0 HG12 ILE A 38 12.701 3.865 3.780 1.00 0.00 H new ATOM 0 HG13 ILE A 38 14.019 4.798 3.098 1.00 0.00 H new ATOM 0 HG21 ILE A 38 14.419 4.860 0.719 1.00 0.00 H new ATOM 0 HG22 ILE A 38 13.208 4.253 -0.436 1.00 0.00 H new ATOM 0 HG23 ILE A 38 12.888 5.739 0.490 1.00 0.00 H new ATOM 0 HD11 ILE A 38 12.392 6.256 4.202 1.00 0.00 H new ATOM 0 HD12 ILE A 38 12.438 6.585 2.454 1.00 0.00 H new ATOM 0 HD13 ILE A 38 11.100 5.637 3.146 1.00 0.00 H new ATOM 606 N SER A 39 11.383 1.889 -0.199 1.00 0.00 N ATOM 607 CA SER A 39 11.231 1.220 -1.495 1.00 0.00 C ATOM 608 C SER A 39 9.773 1.268 -1.949 1.00 0.00 C ATOM 609 O SER A 39 9.458 1.913 -2.951 1.00 0.00 O ATOM 610 CB SER A 39 11.722 -0.229 -1.420 1.00 0.00 C ATOM 611 OG SER A 39 13.090 -0.286 -1.052 1.00 0.00 O ATOM 0 H SER A 39 11.816 1.316 0.526 1.00 0.00 H new ATOM 0 HA SER A 39 11.842 1.748 -2.227 1.00 0.00 H new ATOM 0 HB2 SER A 39 11.124 -0.782 -0.695 1.00 0.00 H new ATOM 0 HB3 SER A 39 11.581 -0.714 -2.386 1.00 0.00 H new ATOM 0 HG SER A 39 13.379 -1.222 -1.009 1.00 0.00 H new ATOM 617 N VAL A 40 8.898 0.562 -1.222 1.00 0.00 N ATOM 618 CA VAL A 40 7.470 0.485 -1.553 1.00 0.00 C ATOM 619 C VAL A 40 6.886 1.775 -2.133 1.00 0.00 C ATOM 620 O VAL A 40 6.036 1.708 -3.023 1.00 0.00 O ATOM 621 CB VAL A 40 6.619 0.036 -0.345 1.00 0.00 C ATOM 622 CG1 VAL A 40 6.939 -1.406 0.022 1.00 0.00 C ATOM 623 CG2 VAL A 40 6.830 0.951 0.849 1.00 0.00 C ATOM 0 H VAL A 40 9.159 0.030 -0.391 1.00 0.00 H new ATOM 0 HA VAL A 40 7.420 -0.270 -2.338 1.00 0.00 H new ATOM 0 HB VAL A 40 5.569 0.099 -0.631 1.00 0.00 H new ATOM 0 HG11 VAL A 40 6.331 -1.708 0.875 1.00 0.00 H new ATOM 0 HG12 VAL A 40 6.721 -2.054 -0.827 1.00 0.00 H new ATOM 0 HG13 VAL A 40 7.995 -1.490 0.281 1.00 0.00 H new ATOM 0 HG21 VAL A 40 6.217 0.608 1.683 1.00 0.00 H new ATOM 0 HG22 VAL A 40 7.880 0.934 1.140 1.00 0.00 H new ATOM 0 HG23 VAL A 40 6.544 1.969 0.583 1.00 0.00 H new ATOM 633 N GLY A 41 7.318 2.945 -1.650 1.00 0.00 N ATOM 634 CA GLY A 41 6.792 4.197 -2.172 1.00 0.00 C ATOM 635 C GLY A 41 6.359 5.145 -1.065 1.00 0.00 C ATOM 636 O GLY A 41 5.311 5.783 -1.167 1.00 0.00 O ATOM 0 H GLY A 41 8.016 3.045 -0.913 1.00 0.00 H new ATOM 0 HA2 GLY A 41 7.552 4.681 -2.785 1.00 0.00 H new ATOM 0 HA3 GLY A 41 5.943 3.989 -2.823 1.00 0.00 H new ATOM 640 N GLY A 42 7.173 5.247 -0.009 1.00 0.00 N ATOM 641 CA GLY A 42 6.839 6.112 1.108 1.00 0.00 C ATOM 642 C GLY A 42 7.890 7.169 1.380 1.00 0.00 C ATOM 643 O GLY A 42 8.857 6.919 2.101 1.00 0.00 O ATOM 0 H GLY A 42 8.055 4.745 0.088 1.00 0.00 H new ATOM 0 HA2 GLY A 42 5.885 6.600 0.908 1.00 0.00 H new ATOM 0 HA3 GLY A 42 6.705 5.504 2.003 1.00 0.00 H new ATOM 647 N ASP A 43 7.700 8.349 0.797 1.00 0.00 N ATOM 648 CA ASP A 43 8.601 9.474 1.034 1.00 0.00 C ATOM 649 C ASP A 43 8.164 10.175 2.320 1.00 0.00 C ATOM 650 O ASP A 43 8.782 9.983 3.369 1.00 0.00 O ATOM 651 CB ASP A 43 8.585 10.445 -0.152 1.00 0.00 C ATOM 652 CG ASP A 43 9.238 9.859 -1.390 1.00 0.00 C ATOM 653 OD1 ASP A 43 8.529 9.203 -2.181 1.00 0.00 O ATOM 654 OD2 ASP A 43 10.458 10.059 -1.568 1.00 0.00 O ATOM 0 H ASP A 43 6.931 8.552 0.158 1.00 0.00 H new ATOM 0 HA ASP A 43 9.624 9.113 1.140 1.00 0.00 H new ATOM 0 HB2 ASP A 43 7.555 10.716 -0.382 1.00 0.00 H new ATOM 0 HB3 ASP A 43 9.101 11.363 0.127 1.00 0.00 H new ATOM 659 N GLY A 44 7.102 10.982 2.246 1.00 0.00 N ATOM 660 CA GLY A 44 6.631 11.688 3.426 1.00 0.00 C ATOM 661 C GLY A 44 5.139 11.953 3.404 1.00 0.00 C ATOM 662 O GLY A 44 4.386 11.318 4.136 1.00 0.00 O ATOM 0 H GLY A 44 6.565 11.157 1.396 1.00 0.00 H new ATOM 0 HA2 GLY A 44 6.877 11.105 4.313 1.00 0.00 H new ATOM 0 HA3 GLY A 44 7.161 12.637 3.510 1.00 0.00 H new ATOM 666 N ARG A 45 4.710 12.893 2.566 1.00 0.00 N ATOM 667 CA ARG A 45 3.294 13.237 2.471 1.00 0.00 C ATOM 668 C ARG A 45 2.600 12.402 1.403 1.00 0.00 C ATOM 669 O ARG A 45 2.781 12.628 0.204 1.00 0.00 O ATOM 670 CB ARG A 45 3.119 14.727 2.175 1.00 0.00 C ATOM 671 CG ARG A 45 3.593 15.624 3.305 1.00 0.00 C ATOM 672 CD ARG A 45 3.443 17.096 2.957 1.00 0.00 C ATOM 673 NE ARG A 45 4.228 17.470 1.777 1.00 0.00 N ATOM 674 CZ ARG A 45 3.967 18.532 1.008 1.00 0.00 C ATOM 675 NH1 ARG A 45 2.944 19.336 1.288 1.00 0.00 N ATOM 676 NH2 ARG A 45 4.736 18.792 -0.045 1.00 0.00 N ATOM 0 H ARG A 45 5.319 13.428 1.946 1.00 0.00 H new ATOM 0 HA ARG A 45 2.831 13.016 3.433 1.00 0.00 H new ATOM 0 HB2 ARG A 45 3.668 14.977 1.267 1.00 0.00 H new ATOM 0 HB3 ARG A 45 2.067 14.930 1.977 1.00 0.00 H new ATOM 0 HG2 ARG A 45 3.023 15.404 4.208 1.00 0.00 H new ATOM 0 HG3 ARG A 45 4.638 15.408 3.527 1.00 0.00 H new ATOM 0 HD2 ARG A 45 2.391 17.319 2.777 1.00 0.00 H new ATOM 0 HD3 ARG A 45 3.757 17.702 3.807 1.00 0.00 H new ATOM 0 HE ARG A 45 5.024 16.883 1.527 1.00 0.00 H new ATOM 0 HH11 ARG A 45 2.351 19.144 2.095 1.00 0.00 H new ATOM 0 HH12 ARG A 45 2.753 20.144 0.695 1.00 0.00 H new ATOM 0 HH21 ARG A 45 5.523 18.182 -0.265 1.00 0.00 H new ATOM 0 HH22 ARG A 45 4.539 19.602 -0.633 1.00 0.00 H new ATOM 690 N MET A 46 1.810 11.431 1.851 1.00 0.00 N ATOM 691 CA MET A 46 1.078 10.555 0.943 1.00 0.00 C ATOM 692 C MET A 46 -0.260 11.184 0.553 1.00 0.00 C ATOM 693 O MET A 46 -0.729 12.119 1.207 1.00 0.00 O ATOM 694 CB MET A 46 0.850 9.189 1.594 1.00 0.00 C ATOM 695 CG MET A 46 0.773 8.041 0.599 1.00 0.00 C ATOM 696 SD MET A 46 2.364 7.230 0.342 1.00 0.00 S ATOM 697 CE MET A 46 3.301 8.545 -0.435 1.00 0.00 C ATOM 0 H MET A 46 1.660 11.231 2.840 1.00 0.00 H new ATOM 0 HA MET A 46 1.673 10.419 0.040 1.00 0.00 H new ATOM 0 HB2 MET A 46 1.658 8.993 2.299 1.00 0.00 H new ATOM 0 HB3 MET A 46 -0.075 9.221 2.170 1.00 0.00 H new ATOM 0 HG2 MET A 46 0.049 7.307 0.954 1.00 0.00 H new ATOM 0 HG3 MET A 46 0.404 8.417 -0.355 1.00 0.00 H new ATOM 0 HE1 MET A 46 4.191 8.128 -0.907 1.00 0.00 H new ATOM 0 HE2 MET A 46 2.685 9.033 -1.190 1.00 0.00 H new ATOM 0 HE3 MET A 46 3.598 9.275 0.319 1.00 0.00 H new ATOM 707 N SER A 47 -0.872 10.667 -0.512 1.00 0.00 N ATOM 708 CA SER A 47 -2.148 11.191 -0.988 1.00 0.00 C ATOM 709 C SER A 47 -3.333 10.537 -0.277 1.00 0.00 C ATOM 710 O SER A 47 -4.003 11.168 0.542 1.00 0.00 O ATOM 711 CB SER A 47 -2.271 10.986 -2.503 1.00 0.00 C ATOM 712 OG SER A 47 -3.439 11.609 -3.011 1.00 0.00 O ATOM 0 H SER A 47 -0.505 9.888 -1.059 1.00 0.00 H new ATOM 0 HA SER A 47 -2.170 12.257 -0.760 1.00 0.00 H new ATOM 0 HB2 SER A 47 -1.392 11.395 -3.001 1.00 0.00 H new ATOM 0 HB3 SER A 47 -2.297 9.920 -2.728 1.00 0.00 H new ATOM 0 HG SER A 47 -3.492 11.465 -3.979 1.00 0.00 H new ATOM 718 N HIS A 48 -3.569 9.265 -0.598 1.00 0.00 N ATOM 719 CA HIS A 48 -4.690 8.498 -0.058 1.00 0.00 C ATOM 720 C HIS A 48 -4.689 7.093 -0.656 1.00 0.00 C ATOM 721 O HIS A 48 -4.583 6.107 0.076 1.00 0.00 O ATOM 722 CB HIS A 48 -6.015 9.202 -0.385 1.00 0.00 C ATOM 723 CG HIS A 48 -7.230 8.415 0.004 1.00 0.00 C ATOM 724 ND1 HIS A 48 -7.819 8.506 1.248 1.00 0.00 N ATOM 725 CD2 HIS A 48 -7.966 7.516 -0.692 1.00 0.00 C ATOM 726 CE1 HIS A 48 -8.862 7.697 1.300 1.00 0.00 C ATOM 727 NE2 HIS A 48 -8.974 7.086 0.135 1.00 0.00 N ATOM 0 H HIS A 48 -2.984 8.735 -1.244 1.00 0.00 H new ATOM 0 HA HIS A 48 -4.584 8.428 1.025 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -6.039 10.165 0.124 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -6.053 9.406 -1.455 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -7.792 7.197 -1.709 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -9.513 7.559 2.151 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -9.693 6.405 -0.111 1.00 0.00 H new ATOM 736 N LYS A 49 -4.808 6.999 -1.980 1.00 0.00 N ATOM 737 CA LYS A 49 -4.768 5.708 -2.664 1.00 0.00 C ATOM 738 C LYS A 49 -3.336 5.170 -2.696 1.00 0.00 C ATOM 739 O LYS A 49 -3.120 3.956 -2.722 1.00 0.00 O ATOM 740 CB LYS A 49 -5.294 5.861 -4.093 1.00 0.00 C ATOM 741 CG LYS A 49 -6.782 5.579 -4.235 1.00 0.00 C ATOM 742 CD LYS A 49 -7.047 4.144 -4.675 1.00 0.00 C ATOM 743 CE LYS A 49 -6.574 3.132 -3.640 1.00 0.00 C ATOM 744 NZ LYS A 49 -7.376 3.193 -2.385 1.00 0.00 N ATOM 0 H LYS A 49 -4.933 7.800 -2.599 1.00 0.00 H new ATOM 0 HA LYS A 49 -5.398 5.003 -2.121 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -5.092 6.875 -4.438 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -4.742 5.186 -4.747 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -7.280 5.765 -3.283 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -7.215 6.267 -4.961 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -8.114 4.010 -4.851 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -6.542 3.956 -5.622 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -6.637 2.128 -4.061 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -5.525 3.315 -3.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -6.747 3.389 -1.580 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -8.085 3.950 -2.463 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -7.856 2.283 -2.235 1.00 0.00 H new ATOM 758 N GLU A 50 -2.365 6.087 -2.691 1.00 0.00 N ATOM 759 CA GLU A 50 -0.948 5.732 -2.733 1.00 0.00 C ATOM 760 C GLU A 50 -0.523 4.948 -1.491 1.00 0.00 C ATOM 761 O GLU A 50 0.153 3.923 -1.602 1.00 0.00 O ATOM 762 CB GLU A 50 -0.100 7.003 -2.852 1.00 0.00 C ATOM 763 CG GLU A 50 1.014 6.912 -3.882 1.00 0.00 C ATOM 764 CD GLU A 50 2.028 5.831 -3.562 1.00 0.00 C ATOM 765 OE1 GLU A 50 3.014 6.134 -2.858 1.00 0.00 O ATOM 766 OE2 GLU A 50 1.838 4.683 -4.016 1.00 0.00 O ATOM 0 H GLU A 50 -2.540 7.091 -2.658 1.00 0.00 H new ATOM 0 HA GLU A 50 -0.790 5.094 -3.603 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -0.751 7.838 -3.110 1.00 0.00 H new ATOM 0 HB3 GLU A 50 0.337 7.228 -1.879 1.00 0.00 H new ATOM 0 HG2 GLU A 50 0.580 6.717 -4.863 1.00 0.00 H new ATOM 0 HG3 GLU A 50 1.523 7.874 -3.945 1.00 0.00 H new ATOM 773 N ALA A 51 -0.920 5.437 -0.311 1.00 0.00 N ATOM 774 CA ALA A 51 -0.564 4.788 0.952 1.00 0.00 C ATOM 775 C ALA A 51 -0.944 3.310 0.949 1.00 0.00 C ATOM 776 O ALA A 51 -0.066 2.457 1.086 1.00 0.00 O ATOM 777 CB ALA A 51 -1.205 5.507 2.132 1.00 0.00 C ATOM 0 H ALA A 51 -1.487 6.278 -0.206 1.00 0.00 H new ATOM 0 HA ALA A 51 0.519 4.851 1.059 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -0.926 5.006 3.059 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -0.859 6.540 2.160 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -2.289 5.490 2.023 1.00 0.00 H new ATOM 783 N ILE A 52 -2.230 2.991 0.796 1.00 0.00 N ATOM 784 CA ILE A 52 -2.641 1.587 0.815 1.00 0.00 C ATOM 785 C ILE A 52 -1.916 0.814 -0.287 1.00 0.00 C ATOM 786 O ILE A 52 -1.370 -0.261 -0.035 1.00 0.00 O ATOM 787 CB ILE A 52 -4.168 1.416 0.693 1.00 0.00 C ATOM 788 CG1 ILE A 52 -4.883 2.220 1.785 1.00 0.00 C ATOM 789 CG2 ILE A 52 -4.550 -0.055 0.775 1.00 0.00 C ATOM 790 CD1 ILE A 52 -4.405 1.912 3.189 1.00 0.00 C ATOM 0 H ILE A 52 -2.985 3.663 0.661 1.00 0.00 H new ATOM 0 HA ILE A 52 -2.360 1.177 1.785 1.00 0.00 H new ATOM 0 HB ILE A 52 -4.482 1.797 -0.279 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -4.743 3.283 1.590 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -5.953 2.023 1.725 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -5.632 -0.155 0.687 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -4.068 -0.602 -0.035 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -4.224 -0.463 1.732 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -4.959 2.521 3.904 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -4.570 0.857 3.406 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -3.341 2.137 3.269 1.00 0.00 H new ATOM 802 N LEU A 53 -1.926 1.360 -1.506 1.00 0.00 N ATOM 803 CA LEU A 53 -1.334 0.679 -2.661 1.00 0.00 C ATOM 804 C LEU A 53 0.101 0.209 -2.406 1.00 0.00 C ATOM 805 O LEU A 53 0.542 -0.774 -3.005 1.00 0.00 O ATOM 806 CB LEU A 53 -1.408 1.559 -3.911 1.00 0.00 C ATOM 807 CG LEU A 53 -0.984 0.889 -5.220 1.00 0.00 C ATOM 808 CD1 LEU A 53 -1.948 -0.228 -5.592 1.00 0.00 C ATOM 809 CD2 LEU A 53 -0.901 1.920 -6.336 1.00 0.00 C ATOM 0 H LEU A 53 -2.336 2.269 -1.719 1.00 0.00 H new ATOM 0 HA LEU A 53 -1.928 -0.219 -2.830 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -2.432 1.916 -4.022 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -0.780 2.436 -3.753 1.00 0.00 H new ATOM 0 HG LEU A 53 0.003 0.449 -5.079 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -1.627 -0.690 -6.526 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -1.959 -0.978 -4.801 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -2.950 0.183 -5.716 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -0.598 1.431 -7.262 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -1.877 2.386 -6.474 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -0.168 2.683 -6.073 1.00 0.00 H new ATOM 821 N LEU A 54 0.831 0.909 -1.532 1.00 0.00 N ATOM 822 CA LEU A 54 2.207 0.529 -1.202 1.00 0.00 C ATOM 823 C LEU A 54 2.308 -0.953 -0.812 1.00 0.00 C ATOM 824 O LEU A 54 3.345 -1.584 -1.022 1.00 0.00 O ATOM 825 CB LEU A 54 2.739 1.406 -0.064 1.00 0.00 C ATOM 826 CG LEU A 54 3.864 2.367 -0.446 1.00 0.00 C ATOM 827 CD1 LEU A 54 3.384 3.365 -1.488 1.00 0.00 C ATOM 828 CD2 LEU A 54 4.383 3.090 0.789 1.00 0.00 C ATOM 0 H LEU A 54 0.494 1.738 -1.043 1.00 0.00 H new ATOM 0 HA LEU A 54 2.815 0.683 -2.094 1.00 0.00 H new ATOM 0 HB2 LEU A 54 1.911 1.987 0.342 1.00 0.00 H new ATOM 0 HB3 LEU A 54 3.095 0.757 0.736 1.00 0.00 H new ATOM 0 HG LEU A 54 4.681 1.790 -0.878 1.00 0.00 H new ATOM 0 HD11 LEU A 54 4.199 4.041 -1.747 1.00 0.00 H new ATOM 0 HD12 LEU A 54 3.058 2.831 -2.380 1.00 0.00 H new ATOM 0 HD13 LEU A 54 2.551 3.940 -1.084 1.00 0.00 H new ATOM 0 HD21 LEU A 54 5.184 3.771 0.502 1.00 0.00 H new ATOM 0 HD22 LEU A 54 3.572 3.656 1.247 1.00 0.00 H new ATOM 0 HD23 LEU A 54 4.765 2.361 1.504 1.00 0.00 H new ATOM 840 N GLY A 55 1.225 -1.495 -0.237 1.00 0.00 N ATOM 841 CA GLY A 55 1.200 -2.893 0.176 1.00 0.00 C ATOM 842 C GLY A 55 1.643 -3.857 -0.913 1.00 0.00 C ATOM 843 O GLY A 55 2.363 -4.814 -0.634 1.00 0.00 O ATOM 0 H GLY A 55 0.362 -0.984 -0.051 1.00 0.00 H new ATOM 0 HA2 GLY A 55 1.846 -3.018 1.045 1.00 0.00 H new ATOM 0 HA3 GLY A 55 0.189 -3.152 0.490 1.00 0.00 H new ATOM 847 N LEU A 56 1.195 -3.622 -2.151 1.00 0.00 N ATOM 848 CA LEU A 56 1.559 -4.490 -3.277 1.00 0.00 C ATOM 849 C LEU A 56 3.071 -4.696 -3.352 1.00 0.00 C ATOM 850 O LEU A 56 3.534 -5.812 -3.585 1.00 0.00 O ATOM 851 CB LEU A 56 1.043 -3.919 -4.602 1.00 0.00 C ATOM 852 CG LEU A 56 -0.446 -3.560 -4.629 1.00 0.00 C ATOM 853 CD1 LEU A 56 -0.898 -3.273 -6.053 1.00 0.00 C ATOM 854 CD2 LEU A 56 -1.281 -4.676 -4.015 1.00 0.00 C ATOM 0 H LEU A 56 0.584 -2.844 -2.398 1.00 0.00 H new ATOM 0 HA LEU A 56 1.087 -5.457 -3.106 1.00 0.00 H new ATOM 0 HB2 LEU A 56 1.619 -3.025 -4.841 1.00 0.00 H new ATOM 0 HB3 LEU A 56 1.238 -4.645 -5.391 1.00 0.00 H new ATOM 0 HG LEU A 56 -0.593 -2.659 -4.033 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -1.958 -3.020 -6.054 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -0.325 -2.438 -6.455 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -0.735 -4.156 -6.671 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -2.335 -4.400 -4.044 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -1.131 -5.596 -4.580 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -0.976 -4.832 -2.980 1.00 0.00 H new ATOM 866 N ARG A 57 3.837 -3.620 -3.164 1.00 0.00 N ATOM 867 CA ARG A 57 5.297 -3.706 -3.194 1.00 0.00 C ATOM 868 C ARG A 57 5.805 -4.601 -2.062 1.00 0.00 C ATOM 869 O ARG A 57 6.783 -5.331 -2.227 1.00 0.00 O ATOM 870 CB ARG A 57 5.923 -2.314 -3.073 1.00 0.00 C ATOM 871 CG ARG A 57 5.752 -1.445 -4.310 1.00 0.00 C ATOM 872 CD ARG A 57 6.696 -1.864 -5.429 1.00 0.00 C ATOM 873 NE ARG A 57 6.243 -3.074 -6.118 1.00 0.00 N ATOM 874 CZ ARG A 57 7.041 -3.872 -6.833 1.00 0.00 C ATOM 875 NH1 ARG A 57 8.341 -3.608 -6.942 1.00 0.00 N ATOM 876 NH2 ARG A 57 6.537 -4.942 -7.439 1.00 0.00 N ATOM 0 H ARG A 57 3.472 -2.683 -2.990 1.00 0.00 H new ATOM 0 HA ARG A 57 5.590 -4.142 -4.149 1.00 0.00 H new ATOM 0 HB2 ARG A 57 5.481 -1.802 -2.219 1.00 0.00 H new ATOM 0 HB3 ARG A 57 6.987 -2.423 -2.863 1.00 0.00 H new ATOM 0 HG2 ARG A 57 4.722 -1.509 -4.660 1.00 0.00 H new ATOM 0 HG3 ARG A 57 5.936 -0.402 -4.050 1.00 0.00 H new ATOM 0 HD2 ARG A 57 6.785 -1.051 -6.149 1.00 0.00 H new ATOM 0 HD3 ARG A 57 7.691 -2.035 -5.017 1.00 0.00 H new ATOM 0 HE ARG A 57 5.256 -3.323 -6.048 1.00 0.00 H new ATOM 0 HH11 ARG A 57 8.736 -2.790 -6.477 1.00 0.00 H new ATOM 0 HH12 ARG A 57 8.942 -4.223 -7.490 1.00 0.00 H new ATOM 0 HH21 ARG A 57 5.542 -5.153 -7.358 1.00 0.00 H new ATOM 0 HH22 ARG A 57 7.145 -5.552 -7.985 1.00 0.00 H new ATOM 890 N TYR A 58 5.127 -4.536 -0.913 1.00 0.00 N ATOM 891 CA TYR A 58 5.483 -5.343 0.253 1.00 0.00 C ATOM 892 C TYR A 58 5.284 -6.834 -0.029 1.00 0.00 C ATOM 893 O TYR A 58 6.181 -7.647 0.195 1.00 0.00 O ATOM 894 CB TYR A 58 4.629 -4.925 1.456 1.00 0.00 C ATOM 895 CG TYR A 58 4.865 -5.754 2.699 1.00 0.00 C ATOM 896 CD1 TYR A 58 5.890 -5.445 3.582 1.00 0.00 C ATOM 897 CD2 TYR A 58 4.057 -6.847 2.988 1.00 0.00 C ATOM 898 CE1 TYR A 58 6.104 -6.202 4.719 1.00 0.00 C ATOM 899 CE2 TYR A 58 4.263 -7.608 4.121 1.00 0.00 C ATOM 900 CZ TYR A 58 5.289 -7.281 4.983 1.00 0.00 C ATOM 901 OH TYR A 58 5.500 -8.036 6.116 1.00 0.00 O ATOM 0 H TYR A 58 4.322 -3.927 -0.767 1.00 0.00 H new ATOM 0 HA TYR A 58 6.536 -5.174 0.476 1.00 0.00 H new ATOM 0 HB2 TYR A 58 4.832 -3.879 1.686 1.00 0.00 H new ATOM 0 HB3 TYR A 58 3.576 -4.993 1.182 1.00 0.00 H new ATOM 0 HD1 TYR A 58 6.531 -4.600 3.378 1.00 0.00 H new ATOM 0 HD2 TYR A 58 3.254 -7.106 2.314 1.00 0.00 H new ATOM 0 HE1 TYR A 58 6.906 -5.949 5.397 1.00 0.00 H new ATOM 0 HE2 TYR A 58 3.625 -8.454 4.331 1.00 0.00 H new ATOM 0 HH TYR A 58 4.839 -8.759 6.155 1.00 0.00 H new ATOM 911 N LYS A 59 4.093 -7.170 -0.527 1.00 0.00 N ATOM 912 CA LYS A 59 3.734 -8.551 -0.848 1.00 0.00 C ATOM 913 C LYS A 59 4.342 -9.015 -2.177 1.00 0.00 C ATOM 914 O LYS A 59 4.292 -10.205 -2.497 1.00 0.00 O ATOM 915 CB LYS A 59 2.209 -8.682 -0.907 1.00 0.00 C ATOM 916 CG LYS A 59 1.525 -8.449 0.431 1.00 0.00 C ATOM 917 CD LYS A 59 1.872 -9.539 1.433 1.00 0.00 C ATOM 918 CE LYS A 59 1.249 -9.269 2.793 1.00 0.00 C ATOM 919 NZ LYS A 59 1.558 -10.348 3.773 1.00 0.00 N ATOM 0 H LYS A 59 3.353 -6.495 -0.718 1.00 0.00 H new ATOM 0 HA LYS A 59 4.139 -9.188 -0.062 1.00 0.00 H new ATOM 0 HB2 LYS A 59 1.819 -7.969 -1.634 1.00 0.00 H new ATOM 0 HB3 LYS A 59 1.952 -9.678 -1.268 1.00 0.00 H new ATOM 0 HG2 LYS A 59 1.824 -7.479 0.829 1.00 0.00 H new ATOM 0 HG3 LYS A 59 0.445 -8.416 0.288 1.00 0.00 H new ATOM 0 HD2 LYS A 59 1.525 -10.502 1.058 1.00 0.00 H new ATOM 0 HD3 LYS A 59 2.955 -9.608 1.536 1.00 0.00 H new ATOM 0 HE2 LYS A 59 1.614 -8.316 3.176 1.00 0.00 H new ATOM 0 HE3 LYS A 59 0.168 -9.176 2.685 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 1.114 -10.125 4.687 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 1.188 -11.254 3.421 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 2.588 -10.420 3.897 1.00 0.00 H new ATOM 933 N LYS A 60 4.910 -8.079 -2.947 1.00 0.00 N ATOM 934 CA LYS A 60 5.520 -8.394 -4.240 1.00 0.00 C ATOM 935 C LYS A 60 4.469 -8.895 -5.233 1.00 0.00 C ATOM 936 O LYS A 60 4.443 -10.076 -5.591 1.00 0.00 O ATOM 937 CB LYS A 60 6.642 -9.431 -4.080 1.00 0.00 C ATOM 938 CG LYS A 60 7.773 -8.983 -3.163 1.00 0.00 C ATOM 939 CD LYS A 60 8.410 -7.679 -3.631 1.00 0.00 C ATOM 940 CE LYS A 60 9.107 -7.832 -4.977 1.00 0.00 C ATOM 941 NZ LYS A 60 8.210 -7.487 -6.117 1.00 0.00 N ATOM 0 H LYS A 60 4.959 -7.092 -2.693 1.00 0.00 H new ATOM 0 HA LYS A 60 5.955 -7.476 -4.635 1.00 0.00 H new ATOM 0 HB2 LYS A 60 6.216 -10.355 -3.690 1.00 0.00 H new ATOM 0 HB3 LYS A 60 7.054 -9.660 -5.063 1.00 0.00 H new ATOM 0 HG2 LYS A 60 7.389 -8.855 -2.151 1.00 0.00 H new ATOM 0 HG3 LYS A 60 8.534 -9.762 -3.120 1.00 0.00 H new ATOM 0 HD2 LYS A 60 7.643 -6.908 -3.706 1.00 0.00 H new ATOM 0 HD3 LYS A 60 9.131 -7.340 -2.887 1.00 0.00 H new ATOM 0 HE2 LYS A 60 9.988 -7.191 -5.003 1.00 0.00 H new ATOM 0 HE3 LYS A 60 9.456 -8.858 -5.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 8.768 -7.050 -6.878 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 7.755 -8.351 -6.474 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 7.481 -6.819 -5.795 1.00 0.00 H new ATOM 955 N LEU A 61 3.596 -7.983 -5.664 1.00 0.00 N ATOM 956 CA LEU A 61 2.538 -8.324 -6.621 1.00 0.00 C ATOM 957 C LEU A 61 1.842 -7.081 -7.190 1.00 0.00 C ATOM 958 O LEU A 61 0.667 -7.139 -7.551 1.00 0.00 O ATOM 959 CB LEU A 61 1.507 -9.260 -5.970 1.00 0.00 C ATOM 960 CG LEU A 61 1.203 -8.991 -4.487 1.00 0.00 C ATOM 961 CD1 LEU A 61 0.849 -7.530 -4.256 1.00 0.00 C ATOM 962 CD2 LEU A 61 0.075 -9.892 -4.006 1.00 0.00 C ATOM 0 H LEU A 61 3.599 -7.007 -5.368 1.00 0.00 H new ATOM 0 HA LEU A 61 3.015 -8.838 -7.456 1.00 0.00 H new ATOM 0 HB2 LEU A 61 0.575 -9.190 -6.531 1.00 0.00 H new ATOM 0 HB3 LEU A 61 1.862 -10.286 -6.069 1.00 0.00 H new ATOM 0 HG LEU A 61 2.102 -9.215 -3.912 1.00 0.00 H new ATOM 0 HD11 LEU A 61 0.639 -7.369 -3.199 1.00 0.00 H new ATOM 0 HD12 LEU A 61 1.686 -6.901 -4.560 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -0.032 -7.272 -4.844 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -0.129 -9.690 -2.954 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -0.822 -9.697 -4.593 1.00 0.00 H new ATOM 0 HD23 LEU A 61 0.367 -10.935 -4.125 1.00 0.00 H new ATOM 974 N TYR A 62 2.570 -5.967 -7.299 1.00 0.00 N ATOM 975 CA TYR A 62 2.003 -4.726 -7.835 1.00 0.00 C ATOM 976 C TYR A 62 1.445 -4.910 -9.256 1.00 0.00 C ATOM 977 O TYR A 62 0.598 -4.129 -9.698 1.00 0.00 O ATOM 978 CB TYR A 62 3.070 -3.624 -7.837 1.00 0.00 C ATOM 979 CG TYR A 62 2.564 -2.275 -8.301 1.00 0.00 C ATOM 980 CD1 TYR A 62 1.899 -1.423 -7.428 1.00 0.00 C ATOM 981 CD2 TYR A 62 2.752 -1.853 -9.613 1.00 0.00 C ATOM 982 CE1 TYR A 62 1.436 -0.191 -7.848 1.00 0.00 C ATOM 983 CE2 TYR A 62 2.292 -0.622 -10.040 1.00 0.00 C ATOM 984 CZ TYR A 62 1.635 0.205 -9.154 1.00 0.00 C ATOM 985 OH TYR A 62 1.174 1.432 -9.576 1.00 0.00 O ATOM 0 H TYR A 62 3.550 -5.898 -7.024 1.00 0.00 H new ATOM 0 HA TYR A 62 1.173 -4.440 -7.189 1.00 0.00 H new ATOM 0 HB2 TYR A 62 3.473 -3.522 -6.830 1.00 0.00 H new ATOM 0 HB3 TYR A 62 3.894 -3.932 -8.481 1.00 0.00 H new ATOM 0 HD1 TYR A 62 1.741 -1.729 -6.404 1.00 0.00 H new ATOM 0 HD2 TYR A 62 3.266 -2.498 -10.310 1.00 0.00 H new ATOM 0 HE1 TYR A 62 0.920 0.459 -7.157 1.00 0.00 H new ATOM 0 HE2 TYR A 62 2.446 -0.309 -11.062 1.00 0.00 H new ATOM 0 HH TYR A 62 1.397 1.557 -10.522 1.00 0.00 H new ATOM 995 N ASN A 63 1.913 -5.944 -9.961 1.00 0.00 N ATOM 996 CA ASN A 63 1.476 -6.209 -11.332 1.00 0.00 C ATOM 997 C ASN A 63 -0.001 -6.625 -11.417 1.00 0.00 C ATOM 998 O ASN A 63 -0.822 -5.876 -11.948 1.00 0.00 O ATOM 999 CB ASN A 63 2.364 -7.286 -11.967 1.00 0.00 C ATOM 1000 CG ASN A 63 2.087 -7.476 -13.447 1.00 0.00 C ATOM 1001 OD1 ASN A 63 2.626 -6.755 -14.287 1.00 0.00 O ATOM 1002 ND2 ASN A 63 1.250 -8.454 -13.775 1.00 0.00 N ATOM 0 H ASN A 63 2.596 -6.612 -9.603 1.00 0.00 H new ATOM 0 HA ASN A 63 1.574 -5.274 -11.884 1.00 0.00 H new ATOM 0 HB2 ASN A 63 3.411 -7.015 -11.829 1.00 0.00 H new ATOM 0 HB3 ASN A 63 2.208 -8.232 -11.448 1.00 0.00 H new ATOM 0 HD21 ASN A 63 1.032 -8.631 -14.756 1.00 0.00 H new ATOM 0 HD22 ASN A 63 0.825 -9.028 -13.046 1.00 0.00 H new ATOM 1009 N GLN A 64 -0.337 -7.811 -10.896 1.00 0.00 N ATOM 1010 CA GLN A 64 -1.715 -8.317 -10.964 1.00 0.00 C ATOM 1011 C GLN A 64 -2.538 -8.002 -9.710 1.00 0.00 C ATOM 1012 O GLN A 64 -3.737 -8.282 -9.697 1.00 0.00 O ATOM 1013 CB GLN A 64 -1.717 -9.826 -11.215 1.00 0.00 C ATOM 1014 CG GLN A 64 -1.727 -10.204 -12.688 1.00 0.00 C ATOM 1015 CD GLN A 64 -1.657 -11.705 -12.904 1.00 0.00 C ATOM 1016 OE1 GLN A 64 -2.684 -12.380 -12.975 1.00 0.00 O ATOM 1017 NE2 GLN A 64 -0.443 -12.235 -13.008 1.00 0.00 N ATOM 0 H GLN A 64 0.319 -8.435 -10.426 1.00 0.00 H new ATOM 0 HA GLN A 64 -2.190 -7.798 -11.797 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -0.838 -10.264 -10.743 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -2.590 -10.264 -10.731 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -2.633 -9.815 -13.153 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -0.883 -9.729 -13.187 1.00 0.00 H new ATOM 0 HE21 GLN A 64 0.381 -11.638 -12.943 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -0.336 -13.239 -13.153 1.00 0.00 H new ATOM 1026 N ALA A 65 -1.944 -7.432 -8.665 1.00 0.00 N ATOM 1027 CA ALA A 65 -2.709 -7.135 -7.453 1.00 0.00 C ATOM 1028 C ALA A 65 -3.618 -5.924 -7.651 1.00 0.00 C ATOM 1029 O ALA A 65 -4.738 -5.888 -7.137 1.00 0.00 O ATOM 1030 CB ALA A 65 -1.782 -6.912 -6.272 1.00 0.00 C ATOM 0 H ALA A 65 -0.959 -7.171 -8.629 1.00 0.00 H new ATOM 0 HA ALA A 65 -3.340 -7.999 -7.242 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -2.372 -6.693 -5.382 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -1.188 -7.810 -6.101 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -1.119 -6.073 -6.483 1.00 0.00 H new ATOM 1036 N ARG A 66 -3.130 -4.937 -8.402 1.00 0.00 N ATOM 1037 CA ARG A 66 -3.895 -3.724 -8.676 1.00 0.00 C ATOM 1038 C ARG A 66 -4.891 -3.943 -9.820 1.00 0.00 C ATOM 1039 O ARG A 66 -5.843 -3.176 -9.976 1.00 0.00 O ATOM 1040 CB ARG A 66 -2.946 -2.573 -9.022 1.00 0.00 C ATOM 1041 CG ARG A 66 -3.607 -1.206 -8.993 1.00 0.00 C ATOM 1042 CD ARG A 66 -2.600 -0.091 -9.227 1.00 0.00 C ATOM 1043 NE ARG A 66 -2.067 -0.101 -10.591 1.00 0.00 N ATOM 1044 CZ ARG A 66 -1.585 0.978 -11.214 1.00 0.00 C ATOM 1045 NH1 ARG A 66 -1.567 2.161 -10.603 1.00 0.00 N ATOM 1046 NH2 ARG A 66 -1.116 0.873 -12.452 1.00 0.00 N ATOM 0 H ARG A 66 -2.205 -4.955 -8.832 1.00 0.00 H new ATOM 0 HA ARG A 66 -4.460 -3.470 -7.779 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -2.112 -2.578 -8.320 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -2.529 -2.744 -10.014 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -4.384 -1.161 -9.756 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -4.097 -1.059 -8.030 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -3.074 0.871 -9.032 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -1.779 -0.191 -8.518 1.00 0.00 H new ATOM 0 HE ARG A 66 -2.064 -0.987 -11.097 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -1.923 2.249 -9.651 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -1.197 2.979 -11.087 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -1.124 -0.030 -12.926 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -0.748 1.696 -12.929 1.00 0.00 H new ATOM 1060 N VAL A 67 -4.667 -4.994 -10.615 1.00 0.00 N ATOM 1061 CA VAL A 67 -5.539 -5.311 -11.743 1.00 0.00 C ATOM 1062 C VAL A 67 -6.643 -6.291 -11.338 1.00 0.00 C ATOM 1063 O VAL A 67 -7.812 -6.087 -11.670 1.00 0.00 O ATOM 1064 CB VAL A 67 -4.736 -5.909 -12.919 1.00 0.00 C ATOM 1065 CG1 VAL A 67 -5.633 -6.126 -14.128 1.00 0.00 C ATOM 1066 CG2 VAL A 67 -3.559 -5.013 -13.277 1.00 0.00 C ATOM 0 H VAL A 67 -3.886 -5.639 -10.495 1.00 0.00 H new ATOM 0 HA VAL A 67 -5.996 -4.374 -12.061 1.00 0.00 H new ATOM 0 HB VAL A 67 -4.345 -6.877 -12.607 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -5.047 -6.548 -14.945 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -6.437 -6.813 -13.866 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -6.058 -5.173 -14.441 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -3.007 -5.452 -14.108 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -3.926 -4.028 -13.566 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -2.900 -4.916 -12.414 1.00 0.00 H new ATOM 1076 N LYS A 68 -6.266 -7.351 -10.616 1.00 0.00 N ATOM 1077 CA LYS A 68 -7.226 -8.365 -10.169 1.00 0.00 C ATOM 1078 C LYS A 68 -8.219 -7.796 -9.155 1.00 0.00 C ATOM 1079 O LYS A 68 -9.323 -8.320 -9.005 1.00 0.00 O ATOM 1080 CB LYS A 68 -6.501 -9.567 -9.555 1.00 0.00 C ATOM 1081 CG LYS A 68 -5.733 -10.404 -10.567 1.00 0.00 C ATOM 1082 CD LYS A 68 -6.656 -11.006 -11.615 1.00 0.00 C ATOM 1083 CE LYS A 68 -5.888 -11.868 -12.604 1.00 0.00 C ATOM 1084 NZ LYS A 68 -6.776 -12.428 -13.661 1.00 0.00 N ATOM 0 H LYS A 68 -5.304 -7.529 -10.329 1.00 0.00 H new ATOM 0 HA LYS A 68 -7.781 -8.689 -11.049 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -5.809 -9.211 -8.792 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -7.231 -10.201 -9.052 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -4.982 -9.784 -11.057 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -5.200 -11.202 -10.050 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -7.422 -11.607 -11.125 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -7.171 -10.208 -12.150 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -5.101 -11.274 -13.069 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -5.399 -12.684 -12.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -6.214 -13.009 -14.315 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -7.512 -13.016 -13.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -7.223 -11.650 -14.187 1.00 0.00 H new ATOM 1098 N TYR A 69 -7.820 -6.735 -8.452 1.00 0.00 N ATOM 1099 CA TYR A 69 -8.684 -6.102 -7.463 1.00 0.00 C ATOM 1100 C TYR A 69 -8.928 -4.635 -7.808 1.00 0.00 C ATOM 1101 O TYR A 69 -8.167 -4.031 -8.567 1.00 0.00 O ATOM 1102 CB TYR A 69 -8.069 -6.224 -6.069 1.00 0.00 C ATOM 1103 CG TYR A 69 -8.132 -7.624 -5.502 1.00 0.00 C ATOM 1104 CD1 TYR A 69 -9.236 -8.047 -4.776 1.00 0.00 C ATOM 1105 CD2 TYR A 69 -7.089 -8.523 -5.695 1.00 0.00 C ATOM 1106 CE1 TYR A 69 -9.302 -9.324 -4.256 1.00 0.00 C ATOM 1107 CE2 TYR A 69 -7.148 -9.804 -5.178 1.00 0.00 C ATOM 1108 CZ TYR A 69 -8.257 -10.199 -4.459 1.00 0.00 C ATOM 1109 OH TYR A 69 -8.322 -11.474 -3.941 1.00 0.00 O ATOM 0 H TYR A 69 -6.904 -6.298 -8.551 1.00 0.00 H new ATOM 0 HA TYR A 69 -9.645 -6.616 -7.472 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -7.028 -5.904 -6.111 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -8.585 -5.543 -5.392 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -10.058 -7.365 -4.615 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -6.220 -8.216 -6.257 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -10.169 -9.636 -3.692 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -6.330 -10.492 -5.336 1.00 0.00 H new ATOM 0 HH TYR A 69 -7.443 -11.730 -3.591 1.00 0.00 H new ATOM 1119 N SER A 70 -9.993 -4.068 -7.243 1.00 0.00 N ATOM 1120 CA SER A 70 -10.346 -2.674 -7.493 1.00 0.00 C ATOM 1121 C SER A 70 -9.499 -1.731 -6.637 1.00 0.00 C ATOM 1122 O SER A 70 -9.842 -1.441 -5.488 1.00 0.00 O ATOM 1123 CB SER A 70 -11.837 -2.448 -7.221 1.00 0.00 C ATOM 1124 OG SER A 70 -12.208 -1.105 -7.477 1.00 0.00 O ATOM 0 H SER A 70 -10.626 -4.555 -6.608 1.00 0.00 H new ATOM 0 HA SER A 70 -10.141 -2.454 -8.541 1.00 0.00 H new ATOM 0 HB2 SER A 70 -12.429 -3.117 -7.846 1.00 0.00 H new ATOM 0 HB3 SER A 70 -12.062 -2.699 -6.184 1.00 0.00 H new ATOM 0 HG SER A 70 -12.222 -0.948 -8.444 1.00 0.00 H new ATOM 1130 N LEU A 71 -8.383 -1.269 -7.203 1.00 0.00 N ATOM 1131 CA LEU A 71 -7.485 -0.350 -6.507 1.00 0.00 C ATOM 1132 C LEU A 71 -7.431 0.996 -7.230 1.00 0.00 C ATOM 1133 O LEU A 71 -7.977 1.987 -6.743 1.00 0.00 O ATOM 1134 CB LEU A 71 -6.076 -0.947 -6.391 1.00 0.00 C ATOM 1135 CG LEU A 71 -5.916 -2.057 -5.347 1.00 0.00 C ATOM 1136 CD1 LEU A 71 -6.582 -3.342 -5.815 1.00 0.00 C ATOM 1137 CD2 LEU A 71 -4.445 -2.297 -5.045 1.00 0.00 C ATOM 0 H LEU A 71 -8.080 -1.518 -8.145 1.00 0.00 H new ATOM 0 HA LEU A 71 -7.875 -0.192 -5.502 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -5.786 -1.343 -7.364 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -5.378 -0.144 -6.153 1.00 0.00 H new ATOM 0 HG LEU A 71 -6.409 -1.734 -4.430 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -6.455 -4.115 -5.057 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -7.645 -3.163 -5.976 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -6.124 -3.670 -6.748 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -4.351 -3.089 -4.302 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -3.930 -2.594 -5.959 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -3.999 -1.381 -4.658 1.00 0.00 H new ATOM 1149 N LEU A 72 -6.776 1.024 -8.393 1.00 0.00 N ATOM 1150 CA LEU A 72 -6.654 2.252 -9.176 1.00 0.00 C ATOM 1151 C LEU A 72 -7.411 2.135 -10.497 1.00 0.00 C ATOM 1152 O LEU A 72 -7.103 1.277 -11.327 1.00 0.00 O ATOM 1153 CB LEU A 72 -5.178 2.577 -9.440 1.00 0.00 C ATOM 1154 CG LEU A 72 -4.427 3.237 -8.275 1.00 0.00 C ATOM 1155 CD1 LEU A 72 -5.051 4.580 -7.926 1.00 0.00 C ATOM 1156 CD2 LEU A 72 -4.408 2.326 -7.055 1.00 0.00 C ATOM 0 H LEU A 72 -6.323 0.211 -8.811 1.00 0.00 H new ATOM 0 HA LEU A 72 -7.095 3.064 -8.598 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -4.663 1.654 -9.705 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -5.119 3.235 -10.307 1.00 0.00 H new ATOM 0 HG LEU A 72 -3.397 3.406 -8.590 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -4.504 5.031 -7.098 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -5.005 5.239 -8.793 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -6.092 4.433 -7.636 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -3.870 2.816 -6.243 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -5.431 2.119 -6.740 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -3.909 1.390 -7.307 1.00 0.00 H new ATOM 1168 N GLU A 73 -8.403 3.008 -10.680 1.00 0.00 N ATOM 1169 CA GLU A 73 -9.214 3.012 -11.895 1.00 0.00 C ATOM 1170 C GLU A 73 -9.450 4.440 -12.388 1.00 0.00 C ATOM 1171 O GLU A 73 -10.227 5.174 -11.737 1.00 0.00 O ATOM 1172 CB GLU A 73 -10.552 2.309 -11.645 1.00 0.00 C ATOM 1173 CG GLU A 73 -10.405 0.866 -11.191 1.00 0.00 C ATOM 1174 CD GLU A 73 -11.714 0.102 -11.243 1.00 0.00 C ATOM 1175 OE1 GLU A 73 -12.048 -0.430 -12.323 1.00 0.00 O ATOM 1176 OE2 GLU A 73 -12.403 0.032 -10.204 1.00 0.00 O ATOM 0 H GLU A 73 -8.663 3.722 -10.000 1.00 0.00 H new ATOM 0 HA GLU A 73 -8.671 2.469 -12.668 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -11.109 2.864 -10.890 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -11.143 2.335 -12.560 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -9.670 0.364 -11.821 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -10.018 0.847 -10.172 1.00 0.00 H new TER 1183 GLU A 73