USER MOD reduce.3.24.130724 H: found=0, std=0, add=713, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 713 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 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -153:sc= 1.23 (180deg=0.473) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ -162:sc= -0.0869 (180deg=-0.403) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 ASN : amide:sc= -0.0219 X(o=-0.022,f=0) USER MOD Single : A 13 MET CE :methyl -132:sc= -5.08! (180deg=-10.2!) USER MOD Single : A 14 SER OG : rot 17:sc= 1.24 USER MOD Single : A 18 GLN : amide:sc= -9.32! C(o=-9.3!,f=-18!) USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 CYS SG : rot 76:sc= 0.431 USER MOD Single : A 26 THR OG1 : rot 94:sc= 1.05 USER MOD Single : A 27 GLN : amide:sc= 1.02 K(o=1,f=-0.62) USER MOD Single : A 29 MET CE :methyl -152:sc= -5.59! (180deg=-6.85!) USER MOD Single : A 31 LYS NZ :NH3+ 165:sc= -0.0585 (180deg=-0.29) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= -0.766 X(o=-0.77,f=-0.74) USER MOD Single : A 36 LYS NZ :NH3+ 132:sc= -3.01! (180deg=-4.35!) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 139:sc= -2.45! (180deg=-5.81!) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 167:sc= -0.0308 (180deg=-0.265) USER MOD Single : A 49 LYS NZ :NH3+ 177:sc= -2.12 (180deg=-2.18) USER MOD Single : A 51 ASN :FLIP amide:sc= -0.0293 F(o=-1.4,f=-0.029) USER MOD Single : A 53 THR OG1 : rot 180:sc= -1.85 USER MOD Single : A 55 HIS : no HD1:sc= -1.08 K(o=-1.1,f=-1.8) USER MOD Single : A 56 CYS SG : rot 22:sc= -3.04 USER MOD Single : A 61 ASN :FLIP amide:sc= -1.13 F(o=-4.7!,f=-1.1) USER MOD Single : A 64 SER OG : rot 55:sc= 0.353 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS :FLIP no HD1:sc= -0.221 F(o=-0.91,f=-0.22) USER MOD Single : A 70 THR OG1 : rot 77:sc= -1.87! USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 HIS : no HD1:sc= -1.02 K(o=-1,f=-3.5!) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 TYR OH : rot -132:sc= -0.194 USER MOD Single : A 80 GLN : amide:sc= -4.12! C(o=-4.1!,f=-5.7!) USER MOD Single : A 87 LYS NZ :NH3+ 163:sc= -0.0592 (180deg=-0.418) USER MOD Single : A 88 SER OG : rot -60:sc= 0.282 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 3.738 11.546 15.480 1.00 0.00 N ATOM 2 CA MET A 1 4.386 12.754 14.902 1.00 0.00 C ATOM 3 C MET A 1 5.485 12.372 13.917 1.00 0.00 C ATOM 4 O MET A 1 6.332 11.528 14.211 1.00 0.00 O ATOM 5 CB MET A 1 4.968 13.609 16.037 1.00 0.00 C ATOM 6 CG MET A 1 6.125 12.958 16.786 1.00 0.00 C ATOM 7 SD MET A 1 5.620 11.549 17.791 1.00 0.00 S ATOM 8 CE MET A 1 7.190 11.057 18.500 1.00 0.00 C ATOM 0 H1 MET A 1 2.762 11.775 15.757 1.00 0.00 H new ATOM 0 H2 MET A 1 3.728 10.785 14.771 1.00 0.00 H new ATOM 0 H3 MET A 1 4.271 11.233 16.316 1.00 0.00 H new ATOM 0 HA MET A 1 3.635 13.326 14.357 1.00 0.00 H new ATOM 0 HB2 MET A 1 5.308 14.558 15.623 1.00 0.00 H new ATOM 0 HB3 MET A 1 4.174 13.837 16.748 1.00 0.00 H new ATOM 0 HG2 MET A 1 6.877 12.632 16.067 1.00 0.00 H new ATOM 0 HG3 MET A 1 6.598 13.702 17.427 1.00 0.00 H new ATOM 0 HE1 MET A 1 7.042 10.194 19.149 1.00 0.00 H new ATOM 0 HE2 MET A 1 7.884 10.796 17.701 1.00 0.00 H new ATOM 0 HE3 MET A 1 7.601 11.882 19.082 1.00 0.00 H new ATOM 20 N SER A 2 5.464 12.999 12.744 1.00 0.00 N ATOM 21 CA SER A 2 6.459 12.724 11.712 1.00 0.00 C ATOM 22 C SER A 2 6.216 13.592 10.479 1.00 0.00 C ATOM 23 O SER A 2 5.335 14.452 10.478 1.00 0.00 O ATOM 24 CB SER A 2 6.427 11.246 11.321 1.00 0.00 C ATOM 25 OG SER A 2 5.150 10.876 10.829 1.00 0.00 O ATOM 0 H SER A 2 4.770 13.700 12.485 1.00 0.00 H new ATOM 0 HA SER A 2 7.442 12.963 12.118 1.00 0.00 H new ATOM 0 HB2 SER A 2 7.183 11.051 10.561 1.00 0.00 H new ATOM 0 HB3 SER A 2 6.679 10.632 12.186 1.00 0.00 H new ATOM 0 HG SER A 2 5.156 9.927 10.584 1.00 0.00 H new ATOM 31 N ASP A 3 7.002 13.359 9.434 1.00 0.00 N ATOM 32 CA ASP A 3 6.870 14.119 8.195 1.00 0.00 C ATOM 33 C ASP A 3 7.778 13.547 7.109 1.00 0.00 C ATOM 34 O ASP A 3 8.879 14.046 6.879 1.00 0.00 O ATOM 35 CB ASP A 3 7.209 15.591 8.438 1.00 0.00 C ATOM 36 CG ASP A 3 7.060 16.435 7.186 1.00 0.00 C ATOM 37 OD1 ASP A 3 5.939 16.493 6.638 1.00 0.00 O ATOM 38 OD2 ASP A 3 8.065 17.038 6.754 1.00 0.00 O ATOM 0 H ASP A 3 7.736 12.651 9.419 1.00 0.00 H new ATOM 0 HA ASP A 3 5.836 14.043 7.857 1.00 0.00 H new ATOM 0 HB2 ASP A 3 6.559 15.986 9.218 1.00 0.00 H new ATOM 0 HB3 ASP A 3 8.232 15.669 8.806 1.00 0.00 H new ATOM 43 N ARG A 4 7.306 12.496 6.444 1.00 0.00 N ATOM 44 CA ARG A 4 8.076 11.855 5.383 1.00 0.00 C ATOM 45 C ARG A 4 7.153 11.191 4.364 1.00 0.00 C ATOM 46 O ARG A 4 5.929 11.249 4.491 1.00 0.00 O ATOM 47 CB ARG A 4 9.032 10.817 5.974 1.00 0.00 C ATOM 48 CG ARG A 4 10.029 11.402 6.961 1.00 0.00 C ATOM 49 CD ARG A 4 10.950 10.330 7.523 1.00 0.00 C ATOM 50 NE ARG A 4 11.908 10.880 8.479 1.00 0.00 N ATOM 51 CZ ARG A 4 12.819 10.150 9.117 1.00 0.00 C ATOM 52 NH1 ARG A 4 12.903 8.843 8.901 1.00 0.00 N ATOM 53 NH2 ARG A 4 13.653 10.728 9.971 1.00 0.00 N ATOM 0 H ARG A 4 6.396 12.071 6.621 1.00 0.00 H new ATOM 0 HA ARG A 4 8.655 12.625 4.874 1.00 0.00 H new ATOM 0 HB2 ARG A 4 8.450 10.042 6.474 1.00 0.00 H new ATOM 0 HB3 ARG A 4 9.577 10.334 5.163 1.00 0.00 H new ATOM 0 HG2 ARG A 4 10.623 12.171 6.467 1.00 0.00 H new ATOM 0 HG3 ARG A 4 9.493 11.887 7.777 1.00 0.00 H new ATOM 0 HD2 ARG A 4 10.354 9.558 8.010 1.00 0.00 H new ATOM 0 HD3 ARG A 4 11.488 9.849 6.706 1.00 0.00 H new ATOM 0 HE ARG A 4 11.877 11.882 8.668 1.00 0.00 H new ATOM 0 HH11 ARG A 4 12.267 8.393 8.243 1.00 0.00 H new ATOM 0 HH12 ARG A 4 13.604 8.289 9.393 1.00 0.00 H new ATOM 0 HH21 ARG A 4 13.596 11.732 10.139 1.00 0.00 H new ATOM 0 HH22 ARG A 4 14.351 10.168 10.460 1.00 0.00 H new ATOM 67 N LYS A 5 7.748 10.561 3.356 1.00 0.00 N ATOM 68 CA LYS A 5 6.983 9.884 2.317 1.00 0.00 C ATOM 69 C LYS A 5 6.892 8.387 2.597 1.00 0.00 C ATOM 70 O LYS A 5 6.863 7.573 1.673 1.00 0.00 O ATOM 71 CB LYS A 5 7.617 10.121 0.943 1.00 0.00 C ATOM 72 CG LYS A 5 7.522 11.559 0.453 1.00 0.00 C ATOM 73 CD LYS A 5 8.252 12.523 1.375 1.00 0.00 C ATOM 74 CE LYS A 5 8.257 13.935 0.812 1.00 0.00 C ATOM 75 NZ LYS A 5 8.928 14.001 -0.516 1.00 0.00 N ATOM 0 H LYS A 5 8.760 10.506 3.237 1.00 0.00 H new ATOM 0 HA LYS A 5 5.975 10.299 2.318 1.00 0.00 H new ATOM 0 HB2 LYS A 5 8.667 9.832 0.985 1.00 0.00 H new ATOM 0 HB3 LYS A 5 7.135 9.468 0.215 1.00 0.00 H new ATOM 0 HG2 LYS A 5 7.942 11.629 -0.551 1.00 0.00 H new ATOM 0 HG3 LYS A 5 6.474 11.849 0.381 1.00 0.00 H new ATOM 0 HD2 LYS A 5 7.775 12.523 2.355 1.00 0.00 H new ATOM 0 HD3 LYS A 5 9.278 12.184 1.519 1.00 0.00 H new ATOM 0 HE2 LYS A 5 7.231 14.292 0.719 1.00 0.00 H new ATOM 0 HE3 LYS A 5 8.765 14.602 1.509 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 9.184 14.987 -0.727 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 9.788 13.416 -0.500 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 8.282 13.647 -1.250 1.00 0.00 H new ATOM 89 N ALA A 6 6.848 8.034 3.876 1.00 0.00 N ATOM 90 CA ALA A 6 6.758 6.637 4.284 1.00 0.00 C ATOM 91 C ALA A 6 6.516 6.529 5.786 1.00 0.00 C ATOM 92 O ALA A 6 7.458 6.548 6.579 1.00 0.00 O ATOM 93 CB ALA A 6 8.025 5.891 3.895 1.00 0.00 C ATOM 0 H ALA A 6 6.873 8.698 4.650 1.00 0.00 H new ATOM 0 HA ALA A 6 5.913 6.181 3.768 1.00 0.00 H new ATOM 0 HB1 ALA A 6 7.944 4.849 4.206 1.00 0.00 H new ATOM 0 HB2 ALA A 6 8.158 5.938 2.814 1.00 0.00 H new ATOM 0 HB3 ALA A 6 8.883 6.350 4.386 1.00 0.00 H new ATOM 99 N VAL A 7 5.249 6.427 6.171 1.00 0.00 N ATOM 100 CA VAL A 7 4.888 6.326 7.579 1.00 0.00 C ATOM 101 C VAL A 7 3.861 5.224 7.813 1.00 0.00 C ATOM 102 O VAL A 7 2.680 5.389 7.506 1.00 0.00 O ATOM 103 CB VAL A 7 4.313 7.657 8.099 1.00 0.00 C ATOM 104 CG1 VAL A 7 4.028 7.572 9.592 1.00 0.00 C ATOM 105 CG2 VAL A 7 5.264 8.805 7.795 1.00 0.00 C ATOM 0 H VAL A 7 4.457 6.412 5.529 1.00 0.00 H new ATOM 0 HA VAL A 7 5.802 6.085 8.122 1.00 0.00 H new ATOM 0 HB VAL A 7 3.371 7.849 7.584 1.00 0.00 H new ATOM 0 HG11 VAL A 7 3.623 8.522 9.940 1.00 0.00 H new ATOM 0 HG12 VAL A 7 3.305 6.778 9.780 1.00 0.00 H new ATOM 0 HG13 VAL A 7 4.952 7.355 10.127 1.00 0.00 H new ATOM 0 HG21 VAL A 7 4.841 9.737 8.170 1.00 0.00 H new ATOM 0 HG22 VAL A 7 6.223 8.621 8.280 1.00 0.00 H new ATOM 0 HG23 VAL A 7 5.411 8.880 6.718 1.00 0.00 H new ATOM 115 N ILE A 8 4.311 4.109 8.374 1.00 0.00 N ATOM 116 CA ILE A 8 3.422 2.992 8.664 1.00 0.00 C ATOM 117 C ILE A 8 2.693 3.216 9.983 1.00 0.00 C ATOM 118 O ILE A 8 3.307 3.239 11.050 1.00 0.00 O ATOM 119 CB ILE A 8 4.190 1.653 8.716 1.00 0.00 C ATOM 120 CG1 ILE A 8 4.764 1.318 7.338 1.00 0.00 C ATOM 121 CG2 ILE A 8 3.282 0.529 9.200 1.00 0.00 C ATOM 122 CD1 ILE A 8 5.551 0.028 7.316 1.00 0.00 C ATOM 0 H ILE A 8 5.284 3.954 8.637 1.00 0.00 H new ATOM 0 HA ILE A 8 2.695 2.938 7.854 1.00 0.00 H new ATOM 0 HB ILE A 8 5.013 1.756 9.423 1.00 0.00 H new ATOM 0 HG12 ILE A 8 3.948 1.250 6.619 1.00 0.00 H new ATOM 0 HG13 ILE A 8 5.409 2.134 7.012 1.00 0.00 H new ATOM 0 HG21 ILE A 8 3.843 -0.405 9.229 1.00 0.00 H new ATOM 0 HG22 ILE A 8 2.915 0.763 10.199 1.00 0.00 H new ATOM 0 HG23 ILE A 8 2.438 0.424 8.518 1.00 0.00 H new ATOM 0 HD11 ILE A 8 5.930 -0.150 6.310 1.00 0.00 H new ATOM 0 HD12 ILE A 8 6.388 0.100 8.011 1.00 0.00 H new ATOM 0 HD13 ILE A 8 4.904 -0.798 7.611 1.00 0.00 H new ATOM 134 N LYS A 9 1.378 3.383 9.902 1.00 0.00 N ATOM 135 CA LYS A 9 0.560 3.611 11.088 1.00 0.00 C ATOM 136 C LYS A 9 0.297 2.305 11.828 1.00 0.00 C ATOM 137 O LYS A 9 0.216 2.281 13.056 1.00 0.00 O ATOM 138 CB LYS A 9 -0.766 4.270 10.703 1.00 0.00 C ATOM 139 CG LYS A 9 -0.600 5.641 10.070 1.00 0.00 C ATOM 140 CD LYS A 9 0.096 6.610 11.013 1.00 0.00 C ATOM 141 CE LYS A 9 0.262 7.982 10.383 1.00 0.00 C ATOM 142 NZ LYS A 9 0.941 8.936 11.302 1.00 0.00 N ATOM 0 H LYS A 9 0.855 3.365 9.027 1.00 0.00 H new ATOM 0 HA LYS A 9 1.109 4.279 11.752 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -1.298 3.620 10.008 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -1.389 4.362 11.593 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -0.024 5.550 9.149 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -1.578 6.037 9.796 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -0.480 6.699 11.934 1.00 0.00 H new ATOM 0 HD3 LYS A 9 1.074 6.214 11.286 1.00 0.00 H new ATOM 0 HE2 LYS A 9 0.839 7.892 9.463 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -0.716 8.376 10.108 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 1.035 9.860 10.835 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 0.378 9.042 12.170 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 1.885 8.573 11.544 1.00 0.00 H new ATOM 156 N ASN A 10 0.166 1.219 11.075 1.00 0.00 N ATOM 157 CA ASN A 10 -0.086 -0.089 11.659 1.00 0.00 C ATOM 158 C ASN A 10 0.054 -1.187 10.610 1.00 0.00 C ATOM 159 O ASN A 10 -0.763 -1.296 9.698 1.00 0.00 O ATOM 160 CB ASN A 10 -1.482 -0.139 12.283 1.00 0.00 C ATOM 161 CG ASN A 10 -1.765 -1.469 12.951 1.00 0.00 C ATOM 162 OD1 ASN A 10 -1.089 -1.854 13.905 1.00 0.00 O ATOM 163 ND2 ASN A 10 -2.766 -2.182 12.450 1.00 0.00 N ATOM 0 H ASN A 10 0.231 1.221 10.057 1.00 0.00 H new ATOM 0 HA ASN A 10 0.656 -0.257 12.440 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -1.579 0.661 13.016 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -2.230 0.044 11.511 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -3.001 -3.087 12.857 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -3.300 -1.825 11.658 1.00 0.00 H new ATOM 170 N ALA A 11 1.097 -1.996 10.747 1.00 0.00 N ATOM 171 CA ALA A 11 1.346 -3.084 9.814 1.00 0.00 C ATOM 172 C ALA A 11 1.473 -4.412 10.547 1.00 0.00 C ATOM 173 O ALA A 11 2.107 -4.490 11.600 1.00 0.00 O ATOM 174 CB ALA A 11 2.603 -2.805 9.007 1.00 0.00 C ATOM 0 H ALA A 11 1.784 -1.918 11.497 1.00 0.00 H new ATOM 0 HA ALA A 11 0.497 -3.152 9.134 1.00 0.00 H new ATOM 0 HB1 ALA A 11 2.779 -3.626 8.312 1.00 0.00 H new ATOM 0 HB2 ALA A 11 2.478 -1.877 8.448 1.00 0.00 H new ATOM 0 HB3 ALA A 11 3.455 -2.711 9.681 1.00 0.00 H new ATOM 180 N ASP A 12 0.860 -5.453 9.994 1.00 0.00 N ATOM 181 CA ASP A 12 0.907 -6.770 10.614 1.00 0.00 C ATOM 182 C ASP A 12 1.053 -7.890 9.583 1.00 0.00 C ATOM 183 O ASP A 12 1.063 -9.066 9.946 1.00 0.00 O ATOM 184 CB ASP A 12 -0.354 -6.997 11.454 1.00 0.00 C ATOM 185 CG ASP A 12 -0.344 -8.335 12.170 1.00 0.00 C ATOM 186 OD1 ASP A 12 0.579 -8.566 12.979 1.00 0.00 O ATOM 187 OD2 ASP A 12 -1.259 -9.147 11.923 1.00 0.00 O ATOM 0 H ASP A 12 0.329 -5.411 9.124 1.00 0.00 H new ATOM 0 HA ASP A 12 1.789 -6.798 11.254 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -0.446 -6.197 12.188 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -1.231 -6.941 10.809 1.00 0.00 H new ATOM 192 N MET A 13 1.159 -7.542 8.298 1.00 0.00 N ATOM 193 CA MET A 13 1.297 -8.567 7.265 1.00 0.00 C ATOM 194 C MET A 13 2.763 -8.834 6.923 1.00 0.00 C ATOM 195 O MET A 13 3.179 -8.688 5.775 1.00 0.00 O ATOM 196 CB MET A 13 0.517 -8.180 6.003 1.00 0.00 C ATOM 197 CG MET A 13 0.606 -9.214 4.889 1.00 0.00 C ATOM 198 SD MET A 13 -0.440 -8.804 3.479 1.00 0.00 S ATOM 199 CE MET A 13 0.193 -7.189 3.036 1.00 0.00 C ATOM 0 H MET A 13 1.152 -6.581 7.955 1.00 0.00 H new ATOM 0 HA MET A 13 0.876 -9.488 7.667 1.00 0.00 H new ATOM 0 HB2 MET A 13 -0.530 -8.030 6.265 1.00 0.00 H new ATOM 0 HB3 MET A 13 0.892 -7.226 5.632 1.00 0.00 H new ATOM 0 HG2 MET A 13 1.641 -9.297 4.557 1.00 0.00 H new ATOM 0 HG3 MET A 13 0.317 -10.190 5.280 1.00 0.00 H new ATOM 0 HE1 MET A 13 -0.638 -6.497 2.901 1.00 0.00 H new ATOM 0 HE2 MET A 13 0.845 -6.824 3.829 1.00 0.00 H new ATOM 0 HE3 MET A 13 0.758 -7.262 2.107 1.00 0.00 H new ATOM 209 N SER A 14 3.545 -9.237 7.923 1.00 0.00 N ATOM 210 CA SER A 14 4.950 -9.538 7.717 1.00 0.00 C ATOM 211 C SER A 14 5.722 -8.302 7.298 1.00 0.00 C ATOM 212 O SER A 14 5.534 -7.779 6.201 1.00 0.00 O ATOM 213 CB SER A 14 5.114 -10.641 6.669 1.00 0.00 C ATOM 214 OG SER A 14 6.482 -10.950 6.463 1.00 0.00 O ATOM 0 H SER A 14 3.224 -9.361 8.883 1.00 0.00 H new ATOM 0 HA SER A 14 5.357 -9.887 8.666 1.00 0.00 H new ATOM 0 HB2 SER A 14 4.581 -11.535 6.991 1.00 0.00 H new ATOM 0 HB3 SER A 14 4.664 -10.323 5.728 1.00 0.00 H new ATOM 0 HG SER A 14 7.012 -10.606 7.212 1.00 0.00 H new ATOM 220 N GLU A 15 6.593 -7.847 8.190 1.00 0.00 N ATOM 221 CA GLU A 15 7.432 -6.667 7.951 1.00 0.00 C ATOM 222 C GLU A 15 7.857 -6.558 6.486 1.00 0.00 C ATOM 223 O GLU A 15 7.979 -5.459 5.940 1.00 0.00 O ATOM 224 CB GLU A 15 8.672 -6.706 8.851 1.00 0.00 C ATOM 225 CG GLU A 15 9.688 -7.780 8.478 1.00 0.00 C ATOM 226 CD GLU A 15 9.133 -9.189 8.568 1.00 0.00 C ATOM 227 OE1 GLU A 15 8.278 -9.547 7.734 1.00 0.00 O ATOM 228 OE2 GLU A 15 9.558 -9.935 9.475 1.00 0.00 O ATOM 0 H GLU A 15 6.742 -8.281 9.101 1.00 0.00 H new ATOM 0 HA GLU A 15 6.835 -5.788 8.192 1.00 0.00 H new ATOM 0 HB2 GLU A 15 9.161 -5.733 8.817 1.00 0.00 H new ATOM 0 HB3 GLU A 15 8.353 -6.867 9.881 1.00 0.00 H new ATOM 0 HG2 GLU A 15 10.040 -7.600 7.462 1.00 0.00 H new ATOM 0 HG3 GLU A 15 10.554 -7.695 9.135 1.00 0.00 H new ATOM 235 N ASP A 16 8.077 -7.705 5.850 1.00 0.00 N ATOM 236 CA ASP A 16 8.481 -7.736 4.450 1.00 0.00 C ATOM 237 C ASP A 16 7.547 -6.883 3.596 1.00 0.00 C ATOM 238 O ASP A 16 7.990 -6.191 2.681 1.00 0.00 O ATOM 239 CB ASP A 16 8.491 -9.177 3.934 1.00 0.00 C ATOM 240 CG ASP A 16 9.445 -10.066 4.708 1.00 0.00 C ATOM 241 OD1 ASP A 16 10.096 -9.564 5.648 1.00 0.00 O ATOM 242 OD2 ASP A 16 9.541 -11.266 4.373 1.00 0.00 O ATOM 0 H ASP A 16 7.982 -8.624 6.282 1.00 0.00 H new ATOM 0 HA ASP A 16 9.488 -7.324 4.377 1.00 0.00 H new ATOM 0 HB2 ASP A 16 7.484 -9.589 3.997 1.00 0.00 H new ATOM 0 HB3 ASP A 16 8.771 -9.180 2.881 1.00 0.00 H new ATOM 247 N MET A 17 6.252 -6.933 3.903 1.00 0.00 N ATOM 248 CA MET A 17 5.260 -6.161 3.164 1.00 0.00 C ATOM 249 C MET A 17 5.416 -4.671 3.424 1.00 0.00 C ATOM 250 O MET A 17 5.056 -3.848 2.584 1.00 0.00 O ATOM 251 CB MET A 17 3.839 -6.620 3.512 1.00 0.00 C ATOM 252 CG MET A 17 3.445 -7.935 2.853 1.00 0.00 C ATOM 253 SD MET A 17 4.547 -9.297 3.280 1.00 0.00 S ATOM 254 CE MET A 17 3.805 -10.637 2.352 1.00 0.00 C ATOM 0 H MET A 17 5.867 -7.500 4.658 1.00 0.00 H new ATOM 0 HA MET A 17 5.429 -6.338 2.102 1.00 0.00 H new ATOM 0 HB2 MET A 17 3.755 -6.726 4.594 1.00 0.00 H new ATOM 0 HB3 MET A 17 3.132 -5.846 3.211 1.00 0.00 H new ATOM 0 HG2 MET A 17 2.428 -8.192 3.148 1.00 0.00 H new ATOM 0 HG3 MET A 17 3.440 -7.805 1.771 1.00 0.00 H new ATOM 0 HE1 MET A 17 4.376 -11.551 2.514 1.00 0.00 H new ATOM 0 HE2 MET A 17 2.778 -10.786 2.686 1.00 0.00 H new ATOM 0 HE3 MET A 17 3.809 -10.390 1.290 1.00 0.00 H new ATOM 264 N GLN A 18 5.982 -4.319 4.570 1.00 0.00 N ATOM 265 CA GLN A 18 6.209 -2.919 4.883 1.00 0.00 C ATOM 266 C GLN A 18 7.281 -2.386 3.948 1.00 0.00 C ATOM 267 O GLN A 18 7.161 -1.291 3.396 1.00 0.00 O ATOM 268 CB GLN A 18 6.628 -2.743 6.348 1.00 0.00 C ATOM 269 CG GLN A 18 5.485 -2.907 7.343 1.00 0.00 C ATOM 270 CD GLN A 18 5.001 -4.339 7.487 1.00 0.00 C ATOM 271 OE1 GLN A 18 4.653 -4.997 6.507 1.00 0.00 O ATOM 272 NE2 GLN A 18 4.954 -4.822 8.722 1.00 0.00 N ATOM 0 H GLN A 18 6.288 -4.975 5.289 1.00 0.00 H new ATOM 0 HA GLN A 18 5.284 -2.359 4.744 1.00 0.00 H new ATOM 0 HB2 GLN A 18 7.407 -3.469 6.582 1.00 0.00 H new ATOM 0 HB3 GLN A 18 7.066 -1.753 6.474 1.00 0.00 H new ATOM 0 HG2 GLN A 18 5.809 -2.543 8.318 1.00 0.00 H new ATOM 0 HG3 GLN A 18 4.650 -2.280 7.030 1.00 0.00 H new ATOM 0 HE21 GLN A 18 5.252 -4.244 9.508 1.00 0.00 H new ATOM 0 HE22 GLN A 18 4.620 -5.772 8.886 1.00 0.00 H new ATOM 281 N GLN A 19 8.321 -3.190 3.756 1.00 0.00 N ATOM 282 CA GLN A 19 9.418 -2.825 2.872 1.00 0.00 C ATOM 283 C GLN A 19 9.052 -3.053 1.406 1.00 0.00 C ATOM 284 O GLN A 19 9.507 -2.320 0.525 1.00 0.00 O ATOM 285 CB GLN A 19 10.673 -3.625 3.224 1.00 0.00 C ATOM 286 CG GLN A 19 11.160 -3.393 4.646 1.00 0.00 C ATOM 287 CD GLN A 19 12.414 -4.182 4.968 1.00 0.00 C ATOM 288 OE1 GLN A 19 12.420 -5.412 4.907 1.00 0.00 O ATOM 289 NE2 GLN A 19 13.483 -3.477 5.317 1.00 0.00 N ATOM 0 H GLN A 19 8.426 -4.101 4.203 1.00 0.00 H new ATOM 0 HA GLN A 19 9.617 -1.762 3.012 1.00 0.00 H new ATOM 0 HB2 GLN A 19 10.468 -4.687 3.087 1.00 0.00 H new ATOM 0 HB3 GLN A 19 11.469 -3.362 2.528 1.00 0.00 H new ATOM 0 HG2 GLN A 19 11.356 -2.331 4.790 1.00 0.00 H new ATOM 0 HG3 GLN A 19 10.371 -3.669 5.346 1.00 0.00 H new ATOM 0 HE21 GLN A 19 13.433 -2.459 5.354 1.00 0.00 H new ATOM 0 HE22 GLN A 19 14.355 -3.953 5.548 1.00 0.00 H new ATOM 298 N ASP A 20 8.222 -4.062 1.141 1.00 0.00 N ATOM 299 CA ASP A 20 7.810 -4.361 -0.226 1.00 0.00 C ATOM 300 C ASP A 20 6.751 -3.374 -0.695 1.00 0.00 C ATOM 301 O ASP A 20 6.869 -2.783 -1.768 1.00 0.00 O ATOM 302 CB ASP A 20 7.276 -5.792 -0.333 1.00 0.00 C ATOM 303 CG ASP A 20 8.352 -6.833 -0.094 1.00 0.00 C ATOM 304 OD1 ASP A 20 9.381 -6.796 -0.801 1.00 0.00 O ATOM 305 OD2 ASP A 20 8.161 -7.691 0.791 1.00 0.00 O ATOM 0 H ASP A 20 7.826 -4.680 1.849 1.00 0.00 H new ATOM 0 HA ASP A 20 8.686 -4.268 -0.868 1.00 0.00 H new ATOM 0 HB2 ASP A 20 6.473 -5.932 0.391 1.00 0.00 H new ATOM 0 HB3 ASP A 20 6.843 -5.942 -1.322 1.00 0.00 H new ATOM 310 N ALA A 21 5.721 -3.196 0.119 1.00 0.00 N ATOM 311 CA ALA A 21 4.640 -2.277 -0.206 1.00 0.00 C ATOM 312 C ALA A 21 5.163 -0.855 -0.354 1.00 0.00 C ATOM 313 O ALA A 21 4.861 -0.175 -1.336 1.00 0.00 O ATOM 314 CB ALA A 21 3.556 -2.337 0.861 1.00 0.00 C ATOM 0 H ALA A 21 5.611 -3.677 1.012 1.00 0.00 H new ATOM 0 HA ALA A 21 4.209 -2.581 -1.160 1.00 0.00 H new ATOM 0 HB1 ALA A 21 2.754 -1.645 0.605 1.00 0.00 H new ATOM 0 HB2 ALA A 21 3.157 -3.350 0.917 1.00 0.00 H new ATOM 0 HB3 ALA A 21 3.980 -2.060 1.826 1.00 0.00 H new ATOM 320 N VAL A 22 5.952 -0.407 0.618 1.00 0.00 N ATOM 321 CA VAL A 22 6.511 0.937 0.570 1.00 0.00 C ATOM 322 C VAL A 22 7.438 1.094 -0.633 1.00 0.00 C ATOM 323 O VAL A 22 7.422 2.123 -1.305 1.00 0.00 O ATOM 324 CB VAL A 22 7.279 1.285 1.863 1.00 0.00 C ATOM 325 CG1 VAL A 22 7.928 2.658 1.754 1.00 0.00 C ATOM 326 CG2 VAL A 22 6.347 1.231 3.064 1.00 0.00 C ATOM 0 H VAL A 22 6.216 -0.950 1.440 1.00 0.00 H new ATOM 0 HA VAL A 22 5.673 1.628 0.474 1.00 0.00 H new ATOM 0 HB VAL A 22 8.068 0.546 2.001 1.00 0.00 H new ATOM 0 HG11 VAL A 22 8.463 2.882 2.677 1.00 0.00 H new ATOM 0 HG12 VAL A 22 8.627 2.665 0.918 1.00 0.00 H new ATOM 0 HG13 VAL A 22 7.158 3.412 1.589 1.00 0.00 H new ATOM 0 HG21 VAL A 22 6.904 1.479 3.968 1.00 0.00 H new ATOM 0 HG22 VAL A 22 5.537 1.948 2.929 1.00 0.00 H new ATOM 0 HG23 VAL A 22 5.932 0.228 3.157 1.00 0.00 H new ATOM 336 N ASP A 23 8.240 0.068 -0.900 1.00 0.00 N ATOM 337 CA ASP A 23 9.169 0.102 -2.026 1.00 0.00 C ATOM 338 C ASP A 23 8.422 0.080 -3.347 1.00 0.00 C ATOM 339 O ASP A 23 8.789 0.790 -4.280 1.00 0.00 O ATOM 340 CB ASP A 23 10.150 -1.070 -1.944 1.00 0.00 C ATOM 341 CG ASP A 23 11.126 -1.092 -3.104 1.00 0.00 C ATOM 342 OD1 ASP A 23 10.667 -1.204 -4.259 1.00 0.00 O ATOM 343 OD2 ASP A 23 12.346 -0.998 -2.857 1.00 0.00 O ATOM 0 H ASP A 23 8.266 -0.794 -0.355 1.00 0.00 H new ATOM 0 HA ASP A 23 9.734 1.033 -1.973 1.00 0.00 H new ATOM 0 HB2 ASP A 23 10.705 -1.010 -1.008 1.00 0.00 H new ATOM 0 HB3 ASP A 23 9.592 -2.006 -1.925 1.00 0.00 H new ATOM 348 N CYS A 24 7.362 -0.709 -3.425 1.00 0.00 N ATOM 349 CA CYS A 24 6.574 -0.759 -4.645 1.00 0.00 C ATOM 350 C CYS A 24 5.874 0.575 -4.831 1.00 0.00 C ATOM 351 O CYS A 24 5.693 1.050 -5.951 1.00 0.00 O ATOM 352 CB CYS A 24 5.564 -1.906 -4.599 1.00 0.00 C ATOM 353 SG CYS A 24 6.320 -3.546 -4.530 1.00 0.00 S ATOM 0 H CYS A 24 7.032 -1.313 -2.672 1.00 0.00 H new ATOM 0 HA CYS A 24 7.232 -0.944 -5.494 1.00 0.00 H new ATOM 0 HB2 CYS A 24 4.921 -1.776 -3.728 1.00 0.00 H new ATOM 0 HB3 CYS A 24 4.924 -1.849 -5.479 1.00 0.00 H new ATOM 0 HG CYS A 24 6.780 -3.762 -3.334 1.00 0.00 H new ATOM 359 N ALA A 25 5.521 1.195 -3.710 1.00 0.00 N ATOM 360 CA ALA A 25 4.886 2.499 -3.729 1.00 0.00 C ATOM 361 C ALA A 25 5.940 3.574 -3.970 1.00 0.00 C ATOM 362 O ALA A 25 5.642 4.645 -4.496 1.00 0.00 O ATOM 363 CB ALA A 25 4.145 2.751 -2.425 1.00 0.00 C ATOM 0 H ALA A 25 5.666 0.811 -2.776 1.00 0.00 H new ATOM 0 HA ALA A 25 4.157 2.531 -4.538 1.00 0.00 H new ATOM 0 HB1 ALA A 25 3.675 3.734 -2.458 1.00 0.00 H new ATOM 0 HB2 ALA A 25 3.380 1.987 -2.288 1.00 0.00 H new ATOM 0 HB3 ALA A 25 4.849 2.713 -1.593 1.00 0.00 H new ATOM 369 N THR A 26 7.187 3.267 -3.597 1.00 0.00 N ATOM 370 CA THR A 26 8.291 4.195 -3.793 1.00 0.00 C ATOM 371 C THR A 26 8.686 4.221 -5.262 1.00 0.00 C ATOM 372 O THR A 26 8.691 5.277 -5.894 1.00 0.00 O ATOM 373 CB THR A 26 9.491 3.795 -2.931 1.00 0.00 C ATOM 374 OG1 THR A 26 9.157 3.835 -1.555 1.00 0.00 O ATOM 375 CG2 THR A 26 10.700 4.685 -3.135 1.00 0.00 C ATOM 0 H THR A 26 7.450 2.384 -3.159 1.00 0.00 H new ATOM 0 HA THR A 26 7.969 5.191 -3.490 1.00 0.00 H new ATOM 0 HB THR A 26 9.747 2.784 -3.247 1.00 0.00 H new ATOM 0 HG1 THR A 26 8.867 2.946 -1.263 1.00 0.00 H new ATOM 0 HG21 THR A 26 11.514 4.346 -2.494 1.00 0.00 H new ATOM 0 HG22 THR A 26 11.015 4.637 -4.177 1.00 0.00 H new ATOM 0 HG23 THR A 26 10.442 5.713 -2.881 1.00 0.00 H new ATOM 383 N GLN A 27 8.993 3.048 -5.811 1.00 0.00 N ATOM 384 CA GLN A 27 9.361 2.953 -7.219 1.00 0.00 C ATOM 385 C GLN A 27 8.176 3.328 -8.099 1.00 0.00 C ATOM 386 O GLN A 27 8.349 3.793 -9.225 1.00 0.00 O ATOM 387 CB GLN A 27 9.850 1.545 -7.568 1.00 0.00 C ATOM 388 CG GLN A 27 11.162 1.166 -6.901 1.00 0.00 C ATOM 389 CD GLN A 27 11.705 -0.159 -7.399 1.00 0.00 C ATOM 390 OE1 GLN A 27 11.948 -0.335 -8.594 1.00 0.00 O ATOM 391 NE2 GLN A 27 11.901 -1.102 -6.485 1.00 0.00 N ATOM 0 H GLN A 27 8.994 2.160 -5.308 1.00 0.00 H new ATOM 0 HA GLN A 27 10.177 3.652 -7.402 1.00 0.00 H new ATOM 0 HB2 GLN A 27 9.085 0.824 -7.280 1.00 0.00 H new ATOM 0 HB3 GLN A 27 9.968 1.469 -8.649 1.00 0.00 H new ATOM 0 HG2 GLN A 27 11.898 1.949 -7.084 1.00 0.00 H new ATOM 0 HG3 GLN A 27 11.015 1.112 -5.822 1.00 0.00 H new ATOM 0 HE21 GLN A 27 11.687 -0.915 -5.505 1.00 0.00 H new ATOM 0 HE22 GLN A 27 12.266 -2.013 -6.762 1.00 0.00 H new ATOM 400 N ALA A 28 6.971 3.131 -7.572 1.00 0.00 N ATOM 401 CA ALA A 28 5.758 3.460 -8.307 1.00 0.00 C ATOM 402 C ALA A 28 5.635 4.968 -8.492 1.00 0.00 C ATOM 403 O ALA A 28 5.349 5.449 -9.588 1.00 0.00 O ATOM 404 CB ALA A 28 4.536 2.913 -7.586 1.00 0.00 C ATOM 0 H ALA A 28 6.811 2.746 -6.641 1.00 0.00 H new ATOM 0 HA ALA A 28 5.817 2.996 -9.292 1.00 0.00 H new ATOM 0 HB1 ALA A 28 3.638 3.167 -8.148 1.00 0.00 H new ATOM 0 HB2 ALA A 28 4.617 1.829 -7.503 1.00 0.00 H new ATOM 0 HB3 ALA A 28 4.476 3.350 -6.589 1.00 0.00 H new ATOM 410 N MET A 29 5.857 5.710 -7.410 1.00 0.00 N ATOM 411 CA MET A 29 5.773 7.166 -7.451 1.00 0.00 C ATOM 412 C MET A 29 6.932 7.752 -8.252 1.00 0.00 C ATOM 413 O MET A 29 6.817 8.830 -8.833 1.00 0.00 O ATOM 414 CB MET A 29 5.779 7.736 -6.030 1.00 0.00 C ATOM 415 CG MET A 29 5.667 9.254 -5.962 1.00 0.00 C ATOM 416 SD MET A 29 3.994 9.865 -6.261 1.00 0.00 S ATOM 417 CE MET A 29 3.792 9.538 -8.011 1.00 0.00 C ATOM 0 H MET A 29 6.096 5.327 -6.495 1.00 0.00 H new ATOM 0 HA MET A 29 4.839 7.441 -7.941 1.00 0.00 H new ATOM 0 HB2 MET A 29 4.952 7.297 -5.472 1.00 0.00 H new ATOM 0 HB3 MET A 29 6.699 7.429 -5.532 1.00 0.00 H new ATOM 0 HG2 MET A 29 5.999 9.592 -4.980 1.00 0.00 H new ATOM 0 HG3 MET A 29 6.343 9.694 -6.695 1.00 0.00 H new ATOM 0 HE1 MET A 29 3.092 10.256 -8.437 1.00 0.00 H new ATOM 0 HE2 MET A 29 4.756 9.630 -8.512 1.00 0.00 H new ATOM 0 HE3 MET A 29 3.406 8.528 -8.150 1.00 0.00 H new ATOM 427 N GLU A 30 8.047 7.030 -8.289 1.00 0.00 N ATOM 428 CA GLU A 30 9.219 7.475 -9.032 1.00 0.00 C ATOM 429 C GLU A 30 9.083 7.097 -10.500 1.00 0.00 C ATOM 430 O GLU A 30 9.380 7.894 -11.391 1.00 0.00 O ATOM 431 CB GLU A 30 10.493 6.865 -8.444 1.00 0.00 C ATOM 432 CG GLU A 30 10.771 7.298 -7.015 1.00 0.00 C ATOM 433 CD GLU A 30 12.022 6.658 -6.443 1.00 0.00 C ATOM 434 OE1 GLU A 30 12.677 5.877 -7.167 1.00 0.00 O ATOM 435 OE2 GLU A 30 12.349 6.940 -5.270 1.00 0.00 O ATOM 0 H GLU A 30 8.163 6.135 -7.813 1.00 0.00 H new ATOM 0 HA GLU A 30 9.288 8.560 -8.952 1.00 0.00 H new ATOM 0 HB2 GLU A 30 10.414 5.778 -8.477 1.00 0.00 H new ATOM 0 HB3 GLU A 30 11.341 7.142 -9.070 1.00 0.00 H new ATOM 0 HG2 GLU A 30 10.875 8.383 -6.982 1.00 0.00 H new ATOM 0 HG3 GLU A 30 9.917 7.040 -6.389 1.00 0.00 H new ATOM 442 N LYS A 31 8.624 5.875 -10.743 1.00 0.00 N ATOM 443 CA LYS A 31 8.436 5.384 -12.102 1.00 0.00 C ATOM 444 C LYS A 31 7.158 5.952 -12.715 1.00 0.00 C ATOM 445 O LYS A 31 7.020 6.011 -13.937 1.00 0.00 O ATOM 446 CB LYS A 31 8.386 3.855 -12.113 1.00 0.00 C ATOM 447 CG LYS A 31 8.190 3.261 -13.499 1.00 0.00 C ATOM 448 CD LYS A 31 9.316 3.656 -14.439 1.00 0.00 C ATOM 449 CE LYS A 31 9.113 3.074 -15.829 1.00 0.00 C ATOM 450 NZ LYS A 31 7.843 3.544 -16.447 1.00 0.00 N ATOM 0 H LYS A 31 8.375 5.205 -10.015 1.00 0.00 H new ATOM 0 HA LYS A 31 9.283 5.716 -12.702 1.00 0.00 H new ATOM 0 HB2 LYS A 31 9.312 3.467 -11.688 1.00 0.00 H new ATOM 0 HB3 LYS A 31 7.574 3.522 -11.466 1.00 0.00 H new ATOM 0 HG2 LYS A 31 8.140 2.175 -13.426 1.00 0.00 H new ATOM 0 HG3 LYS A 31 7.238 3.598 -13.909 1.00 0.00 H new ATOM 0 HD2 LYS A 31 9.373 4.743 -14.503 1.00 0.00 H new ATOM 0 HD3 LYS A 31 10.267 3.310 -14.034 1.00 0.00 H new ATOM 0 HE2 LYS A 31 9.952 3.354 -16.466 1.00 0.00 H new ATOM 0 HE3 LYS A 31 9.107 1.986 -15.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 7.857 3.341 -17.467 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 7.040 3.051 -16.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 7.743 4.569 -16.299 1.00 0.00 H new ATOM 464 N TYR A 32 6.223 6.371 -11.863 1.00 0.00 N ATOM 465 CA TYR A 32 4.960 6.933 -12.333 1.00 0.00 C ATOM 466 C TYR A 32 4.617 8.215 -11.577 1.00 0.00 C ATOM 467 O TYR A 32 4.987 8.378 -10.415 1.00 0.00 O ATOM 468 CB TYR A 32 3.831 5.914 -12.170 1.00 0.00 C ATOM 469 CG TYR A 32 4.044 4.642 -12.958 1.00 0.00 C ATOM 470 CD1 TYR A 32 4.174 4.674 -14.341 1.00 0.00 C ATOM 471 CD2 TYR A 32 4.114 3.410 -12.320 1.00 0.00 C ATOM 472 CE1 TYR A 32 4.367 3.513 -15.067 1.00 0.00 C ATOM 473 CE2 TYR A 32 4.308 2.245 -13.039 1.00 0.00 C ATOM 474 CZ TYR A 32 4.434 2.302 -14.411 1.00 0.00 C ATOM 475 OH TYR A 32 4.627 1.144 -15.130 1.00 0.00 O ATOM 0 H TYR A 32 6.317 6.332 -10.848 1.00 0.00 H new ATOM 0 HA TYR A 32 5.072 7.175 -13.390 1.00 0.00 H new ATOM 0 HB2 TYR A 32 3.728 5.664 -11.114 1.00 0.00 H new ATOM 0 HB3 TYR A 32 2.892 6.372 -12.482 1.00 0.00 H new ATOM 0 HD1 TYR A 32 4.123 5.621 -14.857 1.00 0.00 H new ATOM 0 HD2 TYR A 32 4.015 3.361 -11.246 1.00 0.00 H new ATOM 0 HE1 TYR A 32 4.465 3.555 -16.142 1.00 0.00 H new ATOM 0 HE2 TYR A 32 4.361 1.295 -12.528 1.00 0.00 H new ATOM 0 HH TYR A 32 4.651 0.379 -14.518 1.00 0.00 H new ATOM 485 N ASN A 33 3.911 9.120 -12.246 1.00 0.00 N ATOM 486 CA ASN A 33 3.521 10.388 -11.638 1.00 0.00 C ATOM 487 C ASN A 33 2.002 10.498 -11.527 1.00 0.00 C ATOM 488 O ASN A 33 1.442 11.593 -11.570 1.00 0.00 O ATOM 489 CB ASN A 33 4.075 11.558 -12.454 1.00 0.00 C ATOM 490 CG ASN A 33 3.785 12.902 -11.815 1.00 0.00 C ATOM 491 OD1 ASN A 33 4.202 13.170 -10.688 1.00 0.00 O ATOM 492 ND2 ASN A 33 3.068 13.757 -12.535 1.00 0.00 N ATOM 0 H ASN A 33 3.597 9.000 -13.209 1.00 0.00 H new ATOM 0 HA ASN A 33 3.940 10.425 -10.632 1.00 0.00 H new ATOM 0 HB2 ASN A 33 5.152 11.439 -12.568 1.00 0.00 H new ATOM 0 HB3 ASN A 33 3.644 11.535 -13.455 1.00 0.00 H new ATOM 0 HD21 ASN A 33 2.843 14.678 -12.158 1.00 0.00 H new ATOM 0 HD22 ASN A 33 2.743 13.493 -13.465 1.00 0.00 H new ATOM 499 N ILE A 34 1.338 9.354 -11.380 1.00 0.00 N ATOM 500 CA ILE A 34 -0.115 9.325 -11.259 1.00 0.00 C ATOM 501 C ILE A 34 -0.513 8.621 -9.966 1.00 0.00 C ATOM 502 O ILE A 34 0.345 8.119 -9.242 1.00 0.00 O ATOM 503 CB ILE A 34 -0.766 8.597 -12.458 1.00 0.00 C ATOM 504 CG1 ILE A 34 -0.024 8.939 -13.754 1.00 0.00 C ATOM 505 CG2 ILE A 34 -2.235 8.975 -12.578 1.00 0.00 C ATOM 506 CD1 ILE A 34 -0.607 8.273 -14.982 1.00 0.00 C ATOM 0 H ILE A 34 1.783 8.437 -11.342 1.00 0.00 H new ATOM 0 HA ILE A 34 -0.470 10.355 -11.247 1.00 0.00 H new ATOM 0 HB ILE A 34 -0.697 7.523 -12.288 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -0.038 10.020 -13.896 1.00 0.00 H new ATOM 0 HG13 ILE A 34 1.021 8.644 -13.653 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -2.677 8.453 -13.427 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -2.759 8.692 -11.665 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -2.323 10.051 -12.728 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -0.030 8.562 -15.861 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -0.568 7.190 -14.862 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -1.643 8.587 -15.109 1.00 0.00 H new ATOM 518 N GLU A 35 -1.807 8.580 -9.675 1.00 0.00 N ATOM 519 CA GLU A 35 -2.293 7.924 -8.467 1.00 0.00 C ATOM 520 C GLU A 35 -3.029 6.632 -8.811 1.00 0.00 C ATOM 521 O GLU A 35 -3.741 6.072 -7.978 1.00 0.00 O ATOM 522 CB GLU A 35 -3.216 8.861 -7.688 1.00 0.00 C ATOM 523 CG GLU A 35 -2.546 10.152 -7.251 1.00 0.00 C ATOM 524 CD GLU A 35 -3.484 11.065 -6.484 1.00 0.00 C ATOM 525 OE1 GLU A 35 -3.988 10.642 -5.423 1.00 0.00 O ATOM 526 OE2 GLU A 35 -3.713 12.203 -6.944 1.00 0.00 O ATOM 0 H GLU A 35 -2.537 8.992 -10.256 1.00 0.00 H new ATOM 0 HA GLU A 35 -1.433 7.677 -7.845 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -4.081 9.102 -8.306 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -3.589 8.339 -6.807 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -1.684 9.917 -6.627 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -2.171 10.678 -8.129 1.00 0.00 H new ATOM 533 N LYS A 36 -2.852 6.163 -10.046 1.00 0.00 N ATOM 534 CA LYS A 36 -3.496 4.940 -10.502 1.00 0.00 C ATOM 535 C LYS A 36 -2.454 3.866 -10.777 1.00 0.00 C ATOM 536 O LYS A 36 -2.475 2.796 -10.169 1.00 0.00 O ATOM 537 CB LYS A 36 -4.310 5.213 -11.769 1.00 0.00 C ATOM 538 CG LYS A 36 -5.297 6.362 -11.635 1.00 0.00 C ATOM 539 CD LYS A 36 -6.625 5.931 -11.025 1.00 0.00 C ATOM 540 CE LYS A 36 -6.470 5.354 -9.625 1.00 0.00 C ATOM 541 NZ LYS A 36 -6.215 3.886 -9.645 1.00 0.00 N ATOM 0 H LYS A 36 -2.266 6.616 -10.747 1.00 0.00 H new ATOM 0 HA LYS A 36 -4.167 4.588 -9.719 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -3.625 5.430 -12.589 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -4.855 4.309 -12.040 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -4.855 7.144 -11.017 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -5.478 6.796 -12.618 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -7.298 6.788 -10.988 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -7.092 5.187 -11.670 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -5.648 5.857 -9.116 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -7.373 5.556 -9.049 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -5.412 3.665 -9.022 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -7.061 3.382 -9.311 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -5.993 3.585 -10.616 1.00 0.00 H new ATOM 555 N ASP A 37 -1.530 4.165 -11.686 1.00 0.00 N ATOM 556 CA ASP A 37 -0.468 3.227 -12.024 1.00 0.00 C ATOM 557 C ASP A 37 0.260 2.789 -10.758 1.00 0.00 C ATOM 558 O ASP A 37 0.833 1.701 -10.699 1.00 0.00 O ATOM 559 CB ASP A 37 0.518 3.865 -13.005 1.00 0.00 C ATOM 560 CG ASP A 37 -0.143 4.284 -14.303 1.00 0.00 C ATOM 561 OD1 ASP A 37 -1.368 4.082 -14.440 1.00 0.00 O ATOM 562 OD2 ASP A 37 0.564 4.817 -15.185 1.00 0.00 O ATOM 0 H ASP A 37 -1.496 5.046 -12.199 1.00 0.00 H new ATOM 0 HA ASP A 37 -0.912 2.353 -12.500 1.00 0.00 H new ATOM 0 HB2 ASP A 37 0.978 4.736 -12.538 1.00 0.00 H new ATOM 0 HB3 ASP A 37 1.319 3.158 -13.221 1.00 0.00 H new ATOM 567 N ILE A 38 0.217 3.648 -9.744 1.00 0.00 N ATOM 568 CA ILE A 38 0.853 3.363 -8.467 1.00 0.00 C ATOM 569 C ILE A 38 0.197 2.159 -7.802 1.00 0.00 C ATOM 570 O ILE A 38 0.849 1.147 -7.540 1.00 0.00 O ATOM 571 CB ILE A 38 0.752 4.575 -7.518 1.00 0.00 C ATOM 572 CG1 ILE A 38 1.307 5.829 -8.194 1.00 0.00 C ATOM 573 CG2 ILE A 38 1.491 4.297 -6.216 1.00 0.00 C ATOM 574 CD1 ILE A 38 2.776 5.736 -8.531 1.00 0.00 C ATOM 0 H ILE A 38 -0.255 4.551 -9.785 1.00 0.00 H new ATOM 0 HA ILE A 38 1.903 3.147 -8.663 1.00 0.00 H new ATOM 0 HB ILE A 38 -0.299 4.745 -7.285 1.00 0.00 H new ATOM 0 HG12 ILE A 38 0.745 6.017 -9.108 1.00 0.00 H new ATOM 0 HG13 ILE A 38 1.147 6.685 -7.539 1.00 0.00 H new ATOM 0 HG21 ILE A 38 1.409 5.163 -5.559 1.00 0.00 H new ATOM 0 HG22 ILE A 38 1.052 3.428 -5.727 1.00 0.00 H new ATOM 0 HG23 ILE A 38 2.542 4.101 -6.429 1.00 0.00 H new ATOM 0 HD11 ILE A 38 3.099 6.661 -9.008 1.00 0.00 H new ATOM 0 HD12 ILE A 38 3.350 5.579 -7.618 1.00 0.00 H new ATOM 0 HD13 ILE A 38 2.941 4.901 -9.211 1.00 0.00 H new ATOM 586 N ALA A 39 -1.101 2.274 -7.536 1.00 0.00 N ATOM 587 CA ALA A 39 -1.846 1.193 -6.904 1.00 0.00 C ATOM 588 C ALA A 39 -1.762 -0.083 -7.731 1.00 0.00 C ATOM 589 O ALA A 39 -1.813 -1.188 -7.190 1.00 0.00 O ATOM 590 CB ALA A 39 -3.298 1.601 -6.702 1.00 0.00 C ATOM 0 H ALA A 39 -1.656 3.103 -7.748 1.00 0.00 H new ATOM 0 HA ALA A 39 -1.399 0.994 -5.930 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -3.843 0.784 -6.229 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -3.343 2.484 -6.065 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -3.750 1.828 -7.668 1.00 0.00 H new ATOM 596 N ALA A 40 -1.630 0.079 -9.042 1.00 0.00 N ATOM 597 CA ALA A 40 -1.538 -1.055 -9.954 1.00 0.00 C ATOM 598 C ALA A 40 -0.203 -1.764 -9.822 1.00 0.00 C ATOM 599 O ALA A 40 -0.147 -2.987 -9.807 1.00 0.00 O ATOM 600 CB ALA A 40 -1.764 -0.601 -11.389 1.00 0.00 C ATOM 0 H ALA A 40 -1.584 0.990 -9.499 1.00 0.00 H new ATOM 0 HA ALA A 40 -2.319 -1.766 -9.685 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -1.692 -1.459 -12.058 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -2.754 -0.154 -11.478 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -1.008 0.135 -11.661 1.00 0.00 H new ATOM 606 N TYR A 41 0.866 -0.997 -9.723 1.00 0.00 N ATOM 607 CA TYR A 41 2.194 -1.578 -9.589 1.00 0.00 C ATOM 608 C TYR A 41 2.323 -2.295 -8.253 1.00 0.00 C ATOM 609 O TYR A 41 3.082 -3.254 -8.121 1.00 0.00 O ATOM 610 CB TYR A 41 3.268 -0.496 -9.727 1.00 0.00 C ATOM 611 CG TYR A 41 4.686 -1.023 -9.663 1.00 0.00 C ATOM 612 CD1 TYR A 41 5.201 -1.562 -8.491 1.00 0.00 C ATOM 613 CD2 TYR A 41 5.508 -0.983 -10.783 1.00 0.00 C ATOM 614 CE1 TYR A 41 6.495 -2.045 -8.436 1.00 0.00 C ATOM 615 CE2 TYR A 41 6.802 -1.463 -10.734 1.00 0.00 C ATOM 616 CZ TYR A 41 7.291 -1.994 -9.559 1.00 0.00 C ATOM 617 OH TYR A 41 8.580 -2.473 -9.508 1.00 0.00 O ATOM 0 H TYR A 41 0.845 0.023 -9.732 1.00 0.00 H new ATOM 0 HA TYR A 41 2.338 -2.306 -10.387 1.00 0.00 H new ATOM 0 HB2 TYR A 41 3.127 0.023 -10.675 1.00 0.00 H new ATOM 0 HB3 TYR A 41 3.130 0.242 -8.937 1.00 0.00 H new ATOM 0 HD1 TYR A 41 4.580 -1.604 -7.608 1.00 0.00 H new ATOM 0 HD2 TYR A 41 5.129 -0.570 -11.706 1.00 0.00 H new ATOM 0 HE1 TYR A 41 6.880 -2.461 -7.517 1.00 0.00 H new ATOM 0 HE2 TYR A 41 7.429 -1.423 -11.613 1.00 0.00 H new ATOM 0 HH TYR A 41 9.005 -2.364 -10.384 1.00 0.00 H new ATOM 627 N ILE A 42 1.564 -1.836 -7.270 1.00 0.00 N ATOM 628 CA ILE A 42 1.585 -2.443 -5.951 1.00 0.00 C ATOM 629 C ILE A 42 0.749 -3.716 -5.945 1.00 0.00 C ATOM 630 O ILE A 42 1.209 -4.773 -5.511 1.00 0.00 O ATOM 631 CB ILE A 42 1.054 -1.474 -4.878 1.00 0.00 C ATOM 632 CG1 ILE A 42 1.870 -0.182 -4.882 1.00 0.00 C ATOM 633 CG2 ILE A 42 1.100 -2.127 -3.502 1.00 0.00 C ATOM 634 CD1 ILE A 42 1.302 0.893 -3.984 1.00 0.00 C ATOM 0 H ILE A 42 0.926 -1.045 -7.362 1.00 0.00 H new ATOM 0 HA ILE A 42 2.621 -2.684 -5.714 1.00 0.00 H new ATOM 0 HB ILE A 42 0.017 -1.232 -5.110 1.00 0.00 H new ATOM 0 HG12 ILE A 42 2.890 -0.405 -4.568 1.00 0.00 H new ATOM 0 HG13 ILE A 42 1.926 0.200 -5.901 1.00 0.00 H new ATOM 0 HG21 ILE A 42 0.721 -1.429 -2.755 1.00 0.00 H new ATOM 0 HG22 ILE A 42 0.483 -3.025 -3.505 1.00 0.00 H new ATOM 0 HG23 ILE A 42 2.129 -2.394 -3.260 1.00 0.00 H new ATOM 0 HD11 ILE A 42 1.932 1.781 -4.036 1.00 0.00 H new ATOM 0 HD12 ILE A 42 0.293 1.144 -4.310 1.00 0.00 H new ATOM 0 HD13 ILE A 42 1.271 0.530 -2.957 1.00 0.00 H new ATOM 646 N LYS A 43 -0.481 -3.615 -6.441 1.00 0.00 N ATOM 647 CA LYS A 43 -1.361 -4.771 -6.491 1.00 0.00 C ATOM 648 C LYS A 43 -0.883 -5.757 -7.549 1.00 0.00 C ATOM 649 O LYS A 43 -1.108 -6.959 -7.428 1.00 0.00 O ATOM 650 CB LYS A 43 -2.812 -4.362 -6.755 1.00 0.00 C ATOM 651 CG LYS A 43 -3.075 -3.822 -8.152 1.00 0.00 C ATOM 652 CD LYS A 43 -4.571 -3.698 -8.413 1.00 0.00 C ATOM 653 CE LYS A 43 -4.863 -3.032 -9.750 1.00 0.00 C ATOM 654 NZ LYS A 43 -4.571 -1.572 -9.724 1.00 0.00 N ATOM 0 H LYS A 43 -0.885 -2.754 -6.809 1.00 0.00 H new ATOM 0 HA LYS A 43 -1.327 -5.257 -5.516 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -3.455 -5.226 -6.587 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -3.100 -3.604 -6.027 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -2.600 -2.848 -8.265 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -2.626 -4.484 -8.893 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -5.026 -4.688 -8.394 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -5.032 -3.120 -7.612 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -4.266 -3.507 -10.529 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -5.910 -3.187 -10.011 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -4.112 -1.294 -10.615 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -5.459 -1.042 -9.612 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -3.938 -1.359 -8.927 1.00 0.00 H new ATOM 668 N LYS A 44 -0.204 -5.253 -8.582 1.00 0.00 N ATOM 669 CA LYS A 44 0.307 -6.127 -9.634 1.00 0.00 C ATOM 670 C LYS A 44 1.474 -6.963 -9.119 1.00 0.00 C ATOM 671 O LYS A 44 1.508 -8.178 -9.309 1.00 0.00 O ATOM 672 CB LYS A 44 0.737 -5.325 -10.864 1.00 0.00 C ATOM 673 CG LYS A 44 -0.428 -4.865 -11.729 1.00 0.00 C ATOM 674 CD LYS A 44 0.044 -3.994 -12.882 1.00 0.00 C ATOM 675 CE LYS A 44 1.004 -4.744 -13.790 1.00 0.00 C ATOM 676 NZ LYS A 44 1.470 -3.899 -14.926 1.00 0.00 N ATOM 0 H LYS A 44 0.001 -4.262 -8.710 1.00 0.00 H new ATOM 0 HA LYS A 44 -0.502 -6.795 -9.930 1.00 0.00 H new ATOM 0 HB2 LYS A 44 1.304 -4.453 -10.539 1.00 0.00 H new ATOM 0 HB3 LYS A 44 1.409 -5.935 -11.468 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -0.957 -5.734 -12.121 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -1.138 -4.308 -11.118 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -0.816 -3.656 -13.460 1.00 0.00 H new ATOM 0 HD3 LYS A 44 0.534 -3.103 -12.489 1.00 0.00 H new ATOM 0 HE2 LYS A 44 1.864 -5.080 -13.211 1.00 0.00 H new ATOM 0 HE3 LYS A 44 0.514 -5.636 -14.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 2.123 -4.447 -15.522 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 0.652 -3.599 -15.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 1.961 -3.060 -14.556 1.00 0.00 H new ATOM 690 N GLU A 45 2.426 -6.313 -8.458 1.00 0.00 N ATOM 691 CA GLU A 45 3.583 -7.018 -7.916 1.00 0.00 C ATOM 692 C GLU A 45 3.151 -8.057 -6.885 1.00 0.00 C ATOM 693 O GLU A 45 3.724 -9.144 -6.809 1.00 0.00 O ATOM 694 CB GLU A 45 4.570 -6.030 -7.289 1.00 0.00 C ATOM 695 CG GLU A 45 5.267 -5.135 -8.301 1.00 0.00 C ATOM 696 CD GLU A 45 6.199 -5.902 -9.220 1.00 0.00 C ATOM 697 OE1 GLU A 45 5.713 -6.783 -9.960 1.00 0.00 O ATOM 698 OE2 GLU A 45 7.416 -5.621 -9.199 1.00 0.00 O ATOM 0 H GLU A 45 2.421 -5.308 -8.285 1.00 0.00 H new ATOM 0 HA GLU A 45 4.080 -7.534 -8.738 1.00 0.00 H new ATOM 0 HB2 GLU A 45 4.038 -5.406 -6.571 1.00 0.00 H new ATOM 0 HB3 GLU A 45 5.323 -6.587 -6.731 1.00 0.00 H new ATOM 0 HG2 GLU A 45 4.517 -4.619 -8.900 1.00 0.00 H new ATOM 0 HG3 GLU A 45 5.835 -4.369 -7.772 1.00 0.00 H new ATOM 705 N PHE A 46 2.137 -7.719 -6.091 1.00 0.00 N ATOM 706 CA PHE A 46 1.633 -8.632 -5.068 1.00 0.00 C ATOM 707 C PHE A 46 0.640 -9.641 -5.648 1.00 0.00 C ATOM 708 O PHE A 46 0.386 -10.683 -5.045 1.00 0.00 O ATOM 709 CB PHE A 46 0.970 -7.847 -3.933 1.00 0.00 C ATOM 710 CG PHE A 46 1.937 -7.096 -3.062 1.00 0.00 C ATOM 711 CD1 PHE A 46 2.812 -6.168 -3.605 1.00 0.00 C ATOM 712 CD2 PHE A 46 1.965 -7.314 -1.693 1.00 0.00 C ATOM 713 CE1 PHE A 46 3.696 -5.474 -2.799 1.00 0.00 C ATOM 714 CE2 PHE A 46 2.846 -6.623 -0.883 1.00 0.00 C ATOM 715 CZ PHE A 46 3.712 -5.701 -1.436 1.00 0.00 C ATOM 0 H PHE A 46 1.650 -6.824 -6.136 1.00 0.00 H new ATOM 0 HA PHE A 46 2.486 -9.186 -4.677 1.00 0.00 H new ATOM 0 HB2 PHE A 46 0.259 -7.141 -4.361 1.00 0.00 H new ATOM 0 HB3 PHE A 46 0.399 -8.538 -3.313 1.00 0.00 H new ATOM 0 HD1 PHE A 46 2.803 -5.985 -4.669 1.00 0.00 H new ATOM 0 HD2 PHE A 46 1.289 -8.033 -1.254 1.00 0.00 H new ATOM 0 HE1 PHE A 46 4.374 -4.755 -3.235 1.00 0.00 H new ATOM 0 HE2 PHE A 46 2.857 -6.804 0.182 1.00 0.00 H new ATOM 0 HZ PHE A 46 4.400 -5.158 -0.805 1.00 0.00 H new ATOM 725 N ASP A 47 0.076 -9.330 -6.813 1.00 0.00 N ATOM 726 CA ASP A 47 -0.892 -10.219 -7.451 1.00 0.00 C ATOM 727 C ASP A 47 -0.201 -11.241 -8.351 1.00 0.00 C ATOM 728 O ASP A 47 -0.626 -12.393 -8.436 1.00 0.00 O ATOM 729 CB ASP A 47 -1.907 -9.411 -8.263 1.00 0.00 C ATOM 730 CG ASP A 47 -2.946 -10.289 -8.936 1.00 0.00 C ATOM 731 OD1 ASP A 47 -2.556 -11.146 -9.756 1.00 0.00 O ATOM 732 OD2 ASP A 47 -4.148 -10.117 -8.642 1.00 0.00 O ATOM 0 H ASP A 47 0.271 -8.474 -7.332 1.00 0.00 H new ATOM 0 HA ASP A 47 -1.414 -10.759 -6.661 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -2.408 -8.699 -7.607 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -1.381 -8.830 -9.021 1.00 0.00 H new ATOM 737 N LYS A 48 0.865 -10.815 -9.023 1.00 0.00 N ATOM 738 CA LYS A 48 1.609 -11.698 -9.916 1.00 0.00 C ATOM 739 C LYS A 48 2.734 -12.418 -9.176 1.00 0.00 C ATOM 740 O LYS A 48 3.757 -12.762 -9.769 1.00 0.00 O ATOM 741 CB LYS A 48 2.177 -10.910 -11.100 1.00 0.00 C ATOM 742 CG LYS A 48 1.132 -10.519 -12.137 1.00 0.00 C ATOM 743 CD LYS A 48 0.039 -9.647 -11.542 1.00 0.00 C ATOM 744 CE LYS A 48 -0.986 -9.248 -12.592 1.00 0.00 C ATOM 745 NZ LYS A 48 -1.655 -10.433 -13.199 1.00 0.00 N ATOM 0 H LYS A 48 1.233 -9.865 -8.966 1.00 0.00 H new ATOM 0 HA LYS A 48 0.915 -12.450 -10.291 1.00 0.00 H new ATOM 0 HB2 LYS A 48 2.659 -10.007 -10.726 1.00 0.00 H new ATOM 0 HB3 LYS A 48 2.950 -11.507 -11.584 1.00 0.00 H new ATOM 0 HG2 LYS A 48 1.615 -9.986 -12.956 1.00 0.00 H new ATOM 0 HG3 LYS A 48 0.687 -11.419 -12.561 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -0.457 -10.184 -10.733 1.00 0.00 H new ATOM 0 HD3 LYS A 48 0.483 -8.752 -11.106 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -1.737 -8.601 -12.138 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -0.496 -8.668 -13.374 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -2.488 -10.123 -13.739 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -0.991 -10.918 -13.835 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -1.954 -11.086 -12.447 1.00 0.00 H new ATOM 759 N LYS A 49 2.538 -12.649 -7.882 1.00 0.00 N ATOM 760 CA LYS A 49 3.533 -13.336 -7.067 1.00 0.00 C ATOM 761 C LYS A 49 2.861 -14.192 -5.997 1.00 0.00 C ATOM 762 O LYS A 49 3.249 -15.339 -5.773 1.00 0.00 O ATOM 763 CB LYS A 49 4.477 -12.328 -6.410 1.00 0.00 C ATOM 764 CG LYS A 49 5.284 -11.510 -7.406 1.00 0.00 C ATOM 765 CD LYS A 49 6.259 -10.580 -6.703 1.00 0.00 C ATOM 766 CE LYS A 49 7.094 -9.788 -7.696 1.00 0.00 C ATOM 767 NZ LYS A 49 6.251 -8.922 -8.566 1.00 0.00 N ATOM 0 H LYS A 49 1.698 -12.370 -7.375 1.00 0.00 H new ATOM 0 HA LYS A 49 4.112 -13.988 -7.722 1.00 0.00 H new ATOM 0 HB2 LYS A 49 3.894 -11.652 -5.785 1.00 0.00 H new ATOM 0 HB3 LYS A 49 5.162 -12.861 -5.751 1.00 0.00 H new ATOM 0 HG2 LYS A 49 5.832 -12.180 -8.069 1.00 0.00 H new ATOM 0 HG3 LYS A 49 4.608 -10.926 -8.031 1.00 0.00 H new ATOM 0 HD2 LYS A 49 5.708 -9.893 -6.061 1.00 0.00 H new ATOM 0 HD3 LYS A 49 6.916 -11.162 -6.057 1.00 0.00 H new ATOM 0 HE2 LYS A 49 7.811 -9.171 -7.156 1.00 0.00 H new ATOM 0 HE3 LYS A 49 7.669 -10.476 -8.316 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 6.862 -8.361 -9.194 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 5.618 -9.516 -9.139 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 5.683 -8.283 -7.974 1.00 0.00 H new ATOM 781 N TYR A 50 1.852 -13.627 -5.341 1.00 0.00 N ATOM 782 CA TYR A 50 1.126 -14.339 -4.295 1.00 0.00 C ATOM 783 C TYR A 50 -0.246 -14.804 -4.784 1.00 0.00 C ATOM 784 O TYR A 50 -1.043 -15.331 -4.008 1.00 0.00 O ATOM 785 CB TYR A 50 0.960 -13.443 -3.067 1.00 0.00 C ATOM 786 CG TYR A 50 2.272 -12.980 -2.473 1.00 0.00 C ATOM 787 CD1 TYR A 50 3.199 -13.894 -1.989 1.00 0.00 C ATOM 788 CD2 TYR A 50 2.584 -11.628 -2.400 1.00 0.00 C ATOM 789 CE1 TYR A 50 4.398 -13.475 -1.447 1.00 0.00 C ATOM 790 CE2 TYR A 50 3.781 -11.200 -1.859 1.00 0.00 C ATOM 791 CZ TYR A 50 4.685 -12.127 -1.384 1.00 0.00 C ATOM 792 OH TYR A 50 5.879 -11.705 -0.845 1.00 0.00 O ATOM 0 H TYR A 50 1.519 -12.679 -5.515 1.00 0.00 H new ATOM 0 HA TYR A 50 1.708 -15.221 -4.027 1.00 0.00 H new ATOM 0 HB2 TYR A 50 0.367 -12.571 -3.342 1.00 0.00 H new ATOM 0 HB3 TYR A 50 0.397 -13.984 -2.306 1.00 0.00 H new ATOM 0 HD1 TYR A 50 2.978 -14.950 -2.037 1.00 0.00 H new ATOM 0 HD2 TYR A 50 1.879 -10.900 -2.772 1.00 0.00 H new ATOM 0 HE1 TYR A 50 5.108 -14.199 -1.074 1.00 0.00 H new ATOM 0 HE2 TYR A 50 4.008 -10.145 -1.808 1.00 0.00 H new ATOM 0 HH TYR A 50 5.925 -10.727 -0.877 1.00 0.00 H new ATOM 802 N ASN A 51 -0.519 -14.610 -6.074 1.00 0.00 N ATOM 803 CA ASN A 51 -1.796 -15.013 -6.654 1.00 0.00 C ATOM 804 C ASN A 51 -2.954 -14.266 -5.994 1.00 0.00 C ATOM 805 O ASN A 51 -2.853 -13.837 -4.845 1.00 0.00 O ATOM 806 CB ASN A 51 -1.997 -16.525 -6.501 1.00 0.00 C ATOM 807 CG ASN A 51 -0.948 -17.358 -7.230 1.00 0.00 C ATOM 808 OD1 ASN A 51 -0.054 -16.710 -7.976 1.00 0.00 O flip ATOM 809 ND2 ASN A 51 -0.947 -18.585 -7.129 1.00 0.00 N flip ATOM 0 H ASN A 51 0.127 -14.177 -6.734 1.00 0.00 H new ATOM 0 HA ASN A 51 -1.780 -14.761 -7.714 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -1.979 -16.780 -5.441 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -2.985 -16.791 -6.876 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -1.646 -19.050 -6.549 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -0.247 -19.137 -7.625 1.00 0.00 H new ATOM 816 N PRO A 52 -4.075 -14.101 -6.718 1.00 0.00 N ATOM 817 CA PRO A 52 -5.256 -13.401 -6.198 1.00 0.00 C ATOM 818 C PRO A 52 -5.733 -13.984 -4.867 1.00 0.00 C ATOM 819 O PRO A 52 -5.198 -14.992 -4.406 1.00 0.00 O ATOM 820 CB PRO A 52 -6.311 -13.620 -7.286 1.00 0.00 C ATOM 821 CG PRO A 52 -5.530 -13.868 -8.529 1.00 0.00 C ATOM 822 CD PRO A 52 -4.281 -14.582 -8.096 1.00 0.00 C ATOM 0 HA PRO A 52 -5.050 -12.350 -5.994 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -6.955 -14.467 -7.048 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -6.957 -12.748 -7.392 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -6.100 -14.472 -9.235 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -5.290 -12.932 -9.033 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -4.404 -15.664 -8.130 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -3.435 -14.337 -8.738 1.00 0.00 H new ATOM 830 N THR A 53 -6.740 -13.357 -4.242 1.00 0.00 N ATOM 831 CA THR A 53 -7.388 -12.158 -4.774 1.00 0.00 C ATOM 832 C THR A 53 -7.391 -11.047 -3.731 1.00 0.00 C ATOM 833 O THR A 53 -8.251 -11.008 -2.851 1.00 0.00 O ATOM 834 CB THR A 53 -8.823 -12.477 -5.201 1.00 0.00 C ATOM 835 OG1 THR A 53 -8.838 -13.493 -6.186 1.00 0.00 O ATOM 836 CG2 THR A 53 -9.559 -11.279 -5.767 1.00 0.00 C ATOM 0 H THR A 53 -7.126 -13.671 -3.352 1.00 0.00 H new ATOM 0 HA THR A 53 -6.826 -11.820 -5.645 1.00 0.00 H new ATOM 0 HB THR A 53 -9.330 -12.800 -4.292 1.00 0.00 H new ATOM 0 HG1 THR A 53 -9.764 -13.684 -6.445 1.00 0.00 H new ATOM 0 HG21 THR A 53 -10.570 -11.573 -6.050 1.00 0.00 H new ATOM 0 HG22 THR A 53 -9.608 -10.493 -5.014 1.00 0.00 H new ATOM 0 HG23 THR A 53 -9.030 -10.908 -6.645 1.00 0.00 H new ATOM 844 N TRP A 54 -6.420 -10.148 -3.834 1.00 0.00 N ATOM 845 CA TRP A 54 -6.301 -9.037 -2.900 1.00 0.00 C ATOM 846 C TRP A 54 -5.651 -7.832 -3.569 1.00 0.00 C ATOM 847 O TRP A 54 -5.325 -7.879 -4.756 1.00 0.00 O ATOM 848 CB TRP A 54 -5.512 -9.469 -1.664 1.00 0.00 C ATOM 849 CG TRP A 54 -4.182 -10.098 -1.958 1.00 0.00 C ATOM 850 CD1 TRP A 54 -3.913 -11.071 -2.878 1.00 0.00 C ATOM 851 CD2 TRP A 54 -2.946 -9.823 -1.290 1.00 0.00 C ATOM 852 NE1 TRP A 54 -2.580 -11.399 -2.840 1.00 0.00 N ATOM 853 CE2 TRP A 54 -1.966 -10.650 -1.872 1.00 0.00 C ATOM 854 CE3 TRP A 54 -2.568 -8.954 -0.262 1.00 0.00 C ATOM 855 CZ2 TRP A 54 -0.637 -10.633 -1.458 1.00 0.00 C ATOM 856 CZ3 TRP A 54 -1.248 -8.939 0.147 1.00 0.00 C ATOM 857 CH2 TRP A 54 -0.297 -9.773 -0.450 1.00 0.00 C ATOM 0 H TRP A 54 -5.702 -10.168 -4.558 1.00 0.00 H new ATOM 0 HA TRP A 54 -7.301 -8.741 -2.584 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -5.354 -8.598 -1.028 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -6.115 -10.176 -1.093 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -4.642 -11.517 -3.539 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -2.122 -12.088 -3.436 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -3.295 -8.306 0.204 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 0.100 -11.276 -1.916 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -0.946 -8.272 0.941 1.00 0.00 H new ATOM 0 HH2 TRP A 54 0.727 -9.737 -0.108 1.00 0.00 H new ATOM 868 N HIS A 55 -5.465 -6.748 -2.815 1.00 0.00 N ATOM 869 CA HIS A 55 -4.859 -5.542 -3.368 1.00 0.00 C ATOM 870 C HIS A 55 -4.745 -4.454 -2.311 1.00 0.00 C ATOM 871 O HIS A 55 -5.124 -4.651 -1.157 1.00 0.00 O ATOM 872 CB HIS A 55 -5.680 -5.027 -4.553 1.00 0.00 C ATOM 873 CG HIS A 55 -7.095 -4.689 -4.200 1.00 0.00 C ATOM 874 ND1 HIS A 55 -7.984 -5.613 -3.691 1.00 0.00 N ATOM 875 CD2 HIS A 55 -7.775 -3.521 -4.283 1.00 0.00 C ATOM 876 CE1 HIS A 55 -9.150 -5.028 -3.478 1.00 0.00 C ATOM 877 NE2 HIS A 55 -9.049 -3.760 -3.828 1.00 0.00 N ATOM 0 H HIS A 55 -5.723 -6.682 -1.830 1.00 0.00 H new ATOM 0 HA HIS A 55 -3.857 -5.799 -3.711 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -5.195 -4.141 -4.963 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -5.681 -5.782 -5.339 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -7.388 -2.578 -4.640 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -10.035 -5.506 -3.084 1.00 0.00 H new ATOM 0 HE2 HIS A 55 -9.797 -3.068 -3.770 1.00 0.00 H new ATOM 886 N CYS A 56 -4.211 -3.304 -2.711 1.00 0.00 N ATOM 887 CA CYS A 56 -4.039 -2.188 -1.793 1.00 0.00 C ATOM 888 C CYS A 56 -4.867 -0.986 -2.221 1.00 0.00 C ATOM 889 O CYS A 56 -5.157 -0.806 -3.403 1.00 0.00 O ATOM 890 CB CYS A 56 -2.565 -1.791 -1.711 1.00 0.00 C ATOM 891 SG CYS A 56 -1.888 -1.162 -3.263 1.00 0.00 S ATOM 0 H CYS A 56 -3.891 -3.123 -3.662 1.00 0.00 H new ATOM 0 HA CYS A 56 -4.384 -2.512 -0.811 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -2.446 -1.030 -0.940 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -1.983 -2.657 -1.397 1.00 0.00 H new ATOM 0 HG CYS A 56 -2.857 -0.741 -4.020 1.00 0.00 H new ATOM 897 N ILE A 57 -5.232 -0.156 -1.250 1.00 0.00 N ATOM 898 CA ILE A 57 -6.011 1.040 -1.527 1.00 0.00 C ATOM 899 C ILE A 57 -5.096 2.234 -1.702 1.00 0.00 C ATOM 900 O ILE A 57 -4.042 2.307 -1.077 1.00 0.00 O ATOM 901 CB ILE A 57 -7.006 1.359 -0.404 1.00 0.00 C ATOM 902 CG1 ILE A 57 -7.751 0.101 0.021 1.00 0.00 C ATOM 903 CG2 ILE A 57 -7.984 2.431 -0.855 1.00 0.00 C ATOM 904 CD1 ILE A 57 -8.439 -0.614 -1.122 1.00 0.00 C ATOM 0 H ILE A 57 -5.000 -0.291 -0.266 1.00 0.00 H new ATOM 0 HA ILE A 57 -6.568 0.843 -2.443 1.00 0.00 H new ATOM 0 HB ILE A 57 -6.451 1.736 0.455 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -7.048 -0.584 0.496 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -8.495 0.366 0.772 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -8.684 2.647 -0.048 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -7.437 3.337 -1.113 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -8.534 2.078 -1.728 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -8.948 -1.500 -0.743 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -9.167 0.054 -1.583 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -7.698 -0.911 -1.864 1.00 0.00 H new ATOM 916 N VAL A 58 -5.504 3.161 -2.554 1.00 0.00 N ATOM 917 CA VAL A 58 -4.716 4.354 -2.819 1.00 0.00 C ATOM 918 C VAL A 58 -5.505 5.626 -2.515 1.00 0.00 C ATOM 919 O VAL A 58 -5.915 6.351 -3.421 1.00 0.00 O ATOM 920 CB VAL A 58 -4.240 4.371 -4.283 1.00 0.00 C ATOM 921 CG1 VAL A 58 -5.413 4.526 -5.241 1.00 0.00 C ATOM 922 CG2 VAL A 58 -3.205 5.464 -4.496 1.00 0.00 C ATOM 0 H VAL A 58 -6.379 3.110 -3.075 1.00 0.00 H new ATOM 0 HA VAL A 58 -3.849 4.327 -2.160 1.00 0.00 H new ATOM 0 HB VAL A 58 -3.768 3.412 -4.498 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -5.046 4.535 -6.267 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -6.103 3.692 -5.109 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -5.931 5.462 -5.033 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -2.881 5.460 -5.537 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -3.644 6.432 -4.256 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -2.347 5.284 -3.848 1.00 0.00 H new ATOM 932 N GLY A 59 -5.713 5.895 -1.230 1.00 0.00 N ATOM 933 CA GLY A 59 -6.449 7.080 -0.833 1.00 0.00 C ATOM 934 C GLY A 59 -6.524 7.235 0.672 1.00 0.00 C ATOM 935 O GLY A 59 -5.789 8.030 1.258 1.00 0.00 O ATOM 0 H GLY A 59 -5.385 5.314 -0.458 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -5.973 7.961 -1.263 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -7.458 7.031 -1.241 1.00 0.00 H new ATOM 939 N ARG A 60 -7.414 6.476 1.300 1.00 0.00 N ATOM 940 CA ARG A 60 -7.580 6.534 2.745 1.00 0.00 C ATOM 941 C ARG A 60 -8.032 5.184 3.300 1.00 0.00 C ATOM 942 O ARG A 60 -7.218 4.402 3.791 1.00 0.00 O ATOM 943 CB ARG A 60 -8.583 7.630 3.120 1.00 0.00 C ATOM 944 CG ARG A 60 -8.148 9.022 2.690 1.00 0.00 C ATOM 945 CD ARG A 60 -9.189 10.068 3.052 1.00 0.00 C ATOM 946 NE ARG A 60 -8.789 11.408 2.627 1.00 0.00 N ATOM 947 CZ ARG A 60 -9.530 12.499 2.813 1.00 0.00 C ATOM 948 NH1 ARG A 60 -10.709 12.411 3.417 1.00 0.00 N ATOM 949 NH2 ARG A 60 -9.090 13.677 2.396 1.00 0.00 N ATOM 0 H ARG A 60 -8.031 5.814 0.830 1.00 0.00 H new ATOM 0 HA ARG A 60 -6.614 6.774 3.189 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -9.546 7.402 2.664 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -8.732 7.622 4.200 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -7.200 9.271 3.166 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -7.977 9.035 1.614 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -10.140 9.809 2.587 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -9.349 10.062 4.130 1.00 0.00 H new ATOM 0 HE ARG A 60 -7.888 11.514 2.160 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -11.050 11.506 3.740 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -11.274 13.249 3.558 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -8.184 13.748 1.933 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -9.657 14.513 2.538 1.00 0.00 H new ATOM 963 N ASN A 61 -9.332 4.916 3.222 1.00 0.00 N ATOM 964 CA ASN A 61 -9.887 3.658 3.720 1.00 0.00 C ATOM 965 C ASN A 61 -11.202 3.303 3.024 1.00 0.00 C ATOM 966 O ASN A 61 -11.946 2.444 3.493 1.00 0.00 O ATOM 967 CB ASN A 61 -10.134 3.759 5.232 1.00 0.00 C ATOM 968 CG ASN A 61 -11.328 4.642 5.612 1.00 0.00 C ATOM 969 OD1 ASN A 61 -11.932 5.338 4.640 1.00 0.00 O flip ATOM 970 ND2 ASN A 61 -11.698 4.711 6.784 1.00 0.00 N flip ATOM 0 H ASN A 61 -10.021 5.551 2.820 1.00 0.00 H new ATOM 0 HA ASN A 61 -9.162 2.873 3.506 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -10.295 2.757 5.631 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -9.237 4.153 5.711 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -11.219 4.169 7.503 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -12.484 5.310 7.036 1.00 0.00 H new ATOM 977 N PHE A 62 -11.503 3.995 1.931 1.00 0.00 N ATOM 978 CA PHE A 62 -12.749 3.775 1.218 1.00 0.00 C ATOM 979 C PHE A 62 -12.923 2.314 0.801 1.00 0.00 C ATOM 980 O PHE A 62 -14.037 1.870 0.524 1.00 0.00 O ATOM 981 CB PHE A 62 -12.826 4.686 -0.010 1.00 0.00 C ATOM 982 CG PHE A 62 -11.666 4.529 -0.954 1.00 0.00 C ATOM 983 CD1 PHE A 62 -11.455 3.337 -1.630 1.00 0.00 C ATOM 984 CD2 PHE A 62 -10.781 5.576 -1.158 1.00 0.00 C ATOM 985 CE1 PHE A 62 -10.386 3.194 -2.493 1.00 0.00 C ATOM 986 CE2 PHE A 62 -9.710 5.439 -2.022 1.00 0.00 C ATOM 987 CZ PHE A 62 -9.513 4.245 -2.690 1.00 0.00 C ATOM 0 H PHE A 62 -10.901 4.710 1.523 1.00 0.00 H new ATOM 0 HA PHE A 62 -13.562 4.020 1.902 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -13.751 4.478 -0.548 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -12.876 5.723 0.321 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -12.134 2.511 -1.480 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -10.930 6.510 -0.636 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -10.233 2.260 -3.014 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -9.029 6.263 -2.175 1.00 0.00 H new ATOM 0 HZ PHE A 62 -8.677 4.135 -3.365 1.00 0.00 H new ATOM 997 N GLY A 63 -11.820 1.571 0.748 1.00 0.00 N ATOM 998 CA GLY A 63 -11.888 0.176 0.353 1.00 0.00 C ATOM 999 C GLY A 63 -11.186 -0.743 1.329 1.00 0.00 C ATOM 1000 O GLY A 63 -10.369 -1.577 0.934 1.00 0.00 O ATOM 0 H GLY A 63 -10.884 1.910 0.971 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -12.933 -0.122 0.267 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -11.441 0.060 -0.634 1.00 0.00 H new ATOM 1004 N SER A 64 -11.501 -0.595 2.613 1.00 0.00 N ATOM 1005 CA SER A 64 -10.895 -1.421 3.654 1.00 0.00 C ATOM 1006 C SER A 64 -10.980 -2.908 3.301 1.00 0.00 C ATOM 1007 O SER A 64 -10.056 -3.463 2.706 1.00 0.00 O ATOM 1008 CB SER A 64 -11.565 -1.149 5.004 1.00 0.00 C ATOM 1009 OG SER A 64 -11.378 0.197 5.404 1.00 0.00 O ATOM 0 H SER A 64 -12.173 0.090 2.958 1.00 0.00 H new ATOM 0 HA SER A 64 -9.840 -1.156 3.726 1.00 0.00 H new ATOM 0 HB2 SER A 64 -12.631 -1.366 4.935 1.00 0.00 H new ATOM 0 HB3 SER A 64 -11.152 -1.817 5.760 1.00 0.00 H new ATOM 0 HG SER A 64 -11.697 0.796 4.697 1.00 0.00 H new ATOM 1015 N TYR A 65 -12.085 -3.551 3.668 1.00 0.00 N ATOM 1016 CA TYR A 65 -12.275 -4.970 3.385 1.00 0.00 C ATOM 1017 C TYR A 65 -11.158 -5.800 4.012 1.00 0.00 C ATOM 1018 O TYR A 65 -10.400 -6.473 3.314 1.00 0.00 O ATOM 1019 CB TYR A 65 -12.322 -5.208 1.872 1.00 0.00 C ATOM 1020 CG TYR A 65 -13.475 -4.519 1.165 1.00 0.00 C ATOM 1021 CD1 TYR A 65 -14.404 -3.758 1.867 1.00 0.00 C ATOM 1022 CD2 TYR A 65 -13.629 -4.634 -0.211 1.00 0.00 C ATOM 1023 CE1 TYR A 65 -15.453 -3.134 1.217 1.00 0.00 C ATOM 1024 CE2 TYR A 65 -14.676 -4.012 -0.867 1.00 0.00 C ATOM 1025 CZ TYR A 65 -15.583 -3.264 -0.149 1.00 0.00 C ATOM 1026 OH TYR A 65 -16.625 -2.644 -0.800 1.00 0.00 O ATOM 0 H TYR A 65 -12.862 -3.112 4.162 1.00 0.00 H new ATOM 0 HA TYR A 65 -13.224 -5.282 3.822 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -11.385 -4.865 1.433 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -12.387 -6.280 1.687 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -14.304 -3.653 2.937 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -12.920 -5.219 -0.778 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -16.167 -2.548 1.777 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -14.782 -4.112 -1.937 1.00 0.00 H new ATOM 0 HH TYR A 65 -16.571 -2.835 -1.760 1.00 0.00 H new ATOM 1036 N VAL A 66 -11.062 -5.739 5.336 1.00 0.00 N ATOM 1037 CA VAL A 66 -10.034 -6.477 6.062 1.00 0.00 C ATOM 1038 C VAL A 66 -10.639 -7.524 6.997 1.00 0.00 C ATOM 1039 O VAL A 66 -9.915 -8.241 7.688 1.00 0.00 O ATOM 1040 CB VAL A 66 -9.154 -5.525 6.890 1.00 0.00 C ATOM 1041 CG1 VAL A 66 -8.022 -6.284 7.569 1.00 0.00 C ATOM 1042 CG2 VAL A 66 -8.605 -4.407 6.015 1.00 0.00 C ATOM 0 H VAL A 66 -11.683 -5.187 5.928 1.00 0.00 H new ATOM 0 HA VAL A 66 -9.426 -6.983 5.312 1.00 0.00 H new ATOM 0 HB VAL A 66 -9.774 -5.079 7.668 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -7.414 -5.589 8.148 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -8.439 -7.042 8.233 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -7.402 -6.765 6.813 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -7.985 -3.744 6.618 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -8.004 -4.835 5.212 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -9.432 -3.841 5.587 1.00 0.00 H new ATOM 1052 N THR A 67 -11.962 -7.607 7.025 1.00 0.00 N ATOM 1053 CA THR A 67 -12.640 -8.569 7.884 1.00 0.00 C ATOM 1054 C THR A 67 -13.318 -9.657 7.063 1.00 0.00 C ATOM 1055 O THR A 67 -13.484 -10.785 7.527 1.00 0.00 O ATOM 1056 CB THR A 67 -13.670 -7.860 8.765 1.00 0.00 C ATOM 1057 OG1 THR A 67 -13.050 -6.860 9.553 1.00 0.00 O ATOM 1058 CG2 THR A 67 -14.404 -8.793 9.703 1.00 0.00 C ATOM 0 H THR A 67 -12.585 -7.023 6.466 1.00 0.00 H new ATOM 0 HA THR A 67 -11.889 -9.039 8.519 1.00 0.00 H new ATOM 0 HB THR A 67 -14.392 -7.428 8.072 1.00 0.00 H new ATOM 0 HG1 THR A 67 -13.725 -6.416 10.108 1.00 0.00 H new ATOM 0 HG21 THR A 67 -15.118 -8.223 10.297 1.00 0.00 H new ATOM 0 HG22 THR A 67 -14.935 -9.548 9.123 1.00 0.00 H new ATOM 0 HG23 THR A 67 -13.688 -9.280 10.365 1.00 0.00 H new ATOM 1066 N HIS A 68 -13.704 -9.315 5.840 1.00 0.00 N ATOM 1067 CA HIS A 68 -14.360 -10.269 4.953 1.00 0.00 C ATOM 1068 C HIS A 68 -13.598 -11.592 4.905 1.00 0.00 C ATOM 1069 O HIS A 68 -14.193 -12.643 4.672 1.00 0.00 O ATOM 1070 CB HIS A 68 -14.482 -9.685 3.544 1.00 0.00 C ATOM 1071 CG HIS A 68 -15.293 -8.428 3.487 1.00 0.00 C ATOM 1072 ND1 HIS A 68 -14.966 -7.178 3.083 1.00 0.00 N flip ATOM 1073 CD2 HIS A 68 -16.615 -8.367 3.880 1.00 0.00 C flip ATOM 1074 CE1 HIS A 68 -16.083 -6.394 3.237 1.00 0.00 C flip ATOM 1075 NE2 HIS A 68 -17.064 -7.135 3.718 1.00 0.00 N flip ATOM 0 H HIS A 68 -13.575 -8.386 5.440 1.00 0.00 H new ATOM 0 HA HIS A 68 -15.357 -10.464 5.348 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -13.484 -9.482 3.156 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -14.934 -10.430 2.888 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -17.192 -9.197 4.260 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -16.148 -5.342 3.003 1.00 0.00 H new ATOM 0 HE2 HIS A 68 -18.008 -6.811 3.929 1.00 0.00 H new ATOM 1084 N GLU A 69 -12.279 -11.527 5.138 1.00 0.00 N ATOM 1085 CA GLU A 69 -11.409 -12.713 5.132 1.00 0.00 C ATOM 1086 C GLU A 69 -9.971 -12.325 4.817 1.00 0.00 C ATOM 1087 O GLU A 69 -9.309 -12.961 3.995 1.00 0.00 O ATOM 1088 CB GLU A 69 -11.874 -13.749 4.102 1.00 0.00 C ATOM 1089 CG GLU A 69 -11.863 -13.223 2.677 1.00 0.00 C ATOM 1090 CD GLU A 69 -12.396 -14.232 1.678 1.00 0.00 C ATOM 1091 OE1 GLU A 69 -11.811 -15.330 1.572 1.00 0.00 O ATOM 1092 OE2 GLU A 69 -13.401 -13.922 1.003 1.00 0.00 O ATOM 0 H GLU A 69 -11.787 -10.656 5.335 1.00 0.00 H new ATOM 0 HA GLU A 69 -11.466 -13.152 6.128 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -11.231 -14.627 4.163 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -12.883 -14.075 4.354 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -12.462 -12.314 2.625 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -10.844 -12.949 2.403 1.00 0.00 H new ATOM 1099 N THR A 70 -9.490 -11.277 5.463 1.00 0.00 N ATOM 1100 CA THR A 70 -8.134 -10.807 5.235 1.00 0.00 C ATOM 1101 C THR A 70 -7.151 -11.436 6.218 1.00 0.00 C ATOM 1102 O THR A 70 -6.513 -12.440 5.909 1.00 0.00 O ATOM 1103 CB THR A 70 -8.094 -9.281 5.322 1.00 0.00 C ATOM 1104 OG1 THR A 70 -8.777 -8.704 4.223 1.00 0.00 O ATOM 1105 CG2 THR A 70 -6.694 -8.703 5.351 1.00 0.00 C ATOM 0 H THR A 70 -10.017 -10.736 6.149 1.00 0.00 H new ATOM 0 HA THR A 70 -7.828 -11.113 4.235 1.00 0.00 H new ATOM 0 HB THR A 70 -8.578 -9.038 6.268 1.00 0.00 H new ATOM 0 HG1 THR A 70 -9.744 -8.769 4.368 1.00 0.00 H new ATOM 0 HG21 THR A 70 -6.750 -7.616 5.413 1.00 0.00 H new ATOM 0 HG22 THR A 70 -6.159 -9.089 6.219 1.00 0.00 H new ATOM 0 HG23 THR A 70 -6.164 -8.987 4.442 1.00 0.00 H new ATOM 1113 N LYS A 71 -7.019 -10.823 7.391 1.00 0.00 N ATOM 1114 CA LYS A 71 -6.097 -11.303 8.421 1.00 0.00 C ATOM 1115 C LYS A 71 -4.649 -10.945 8.074 1.00 0.00 C ATOM 1116 O LYS A 71 -3.760 -11.049 8.916 1.00 0.00 O ATOM 1117 CB LYS A 71 -6.231 -12.817 8.621 1.00 0.00 C ATOM 1118 CG LYS A 71 -7.636 -13.259 9.001 1.00 0.00 C ATOM 1119 CD LYS A 71 -8.090 -12.615 10.301 1.00 0.00 C ATOM 1120 CE LYS A 71 -7.176 -12.988 11.459 1.00 0.00 C ATOM 1121 NZ LYS A 71 -7.618 -12.368 12.738 1.00 0.00 N ATOM 0 H LYS A 71 -7.542 -9.988 7.655 1.00 0.00 H new ATOM 0 HA LYS A 71 -6.363 -10.806 9.354 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -5.936 -13.324 7.702 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -5.536 -13.135 9.398 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -8.330 -12.997 8.202 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -7.662 -14.344 9.103 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -8.107 -11.531 10.185 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -9.110 -12.928 10.526 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -7.155 -14.072 11.570 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -6.158 -12.670 11.235 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -6.969 -12.647 13.501 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -7.614 -11.333 12.641 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -8.580 -12.691 12.966 1.00 0.00 H new ATOM 1135 N HIS A 72 -4.421 -10.511 6.833 1.00 0.00 N ATOM 1136 CA HIS A 72 -3.087 -10.127 6.388 1.00 0.00 C ATOM 1137 C HIS A 72 -3.139 -8.789 5.657 1.00 0.00 C ATOM 1138 O HIS A 72 -3.173 -8.740 4.428 1.00 0.00 O ATOM 1139 CB HIS A 72 -2.495 -11.202 5.473 1.00 0.00 C ATOM 1140 CG HIS A 72 -2.349 -12.536 6.134 1.00 0.00 C ATOM 1141 ND1 HIS A 72 -3.417 -13.251 6.635 1.00 0.00 N ATOM 1142 CD2 HIS A 72 -1.250 -13.292 6.373 1.00 0.00 C ATOM 1143 CE1 HIS A 72 -2.981 -14.385 7.156 1.00 0.00 C ATOM 1144 NE2 HIS A 72 -1.671 -14.434 7.009 1.00 0.00 N ATOM 0 H HIS A 72 -5.145 -10.418 6.121 1.00 0.00 H new ATOM 0 HA HIS A 72 -2.448 -10.026 7.265 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -3.130 -11.309 4.594 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -1.518 -10.871 5.122 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -0.232 -13.043 6.112 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -3.593 -15.143 7.623 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -1.068 -15.197 7.318 1.00 0.00 H new ATOM 1153 N PHE A 73 -3.156 -7.709 6.428 1.00 0.00 N ATOM 1154 CA PHE A 73 -3.215 -6.362 5.866 1.00 0.00 C ATOM 1155 C PHE A 73 -1.941 -5.585 6.194 1.00 0.00 C ATOM 1156 O PHE A 73 -1.025 -6.109 6.822 1.00 0.00 O ATOM 1157 CB PHE A 73 -4.416 -5.606 6.433 1.00 0.00 C ATOM 1158 CG PHE A 73 -4.256 -5.276 7.888 1.00 0.00 C ATOM 1159 CD1 PHE A 73 -4.368 -6.262 8.854 1.00 0.00 C ATOM 1160 CD2 PHE A 73 -3.955 -3.986 8.284 1.00 0.00 C ATOM 1161 CE1 PHE A 73 -4.187 -5.964 10.190 1.00 0.00 C ATOM 1162 CE2 PHE A 73 -3.776 -3.680 9.618 1.00 0.00 C ATOM 1163 CZ PHE A 73 -3.891 -4.670 10.573 1.00 0.00 C ATOM 0 H PHE A 73 -3.130 -7.738 7.447 1.00 0.00 H new ATOM 0 HA PHE A 73 -3.313 -6.452 4.784 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -4.560 -4.684 5.869 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -5.316 -6.206 6.297 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -4.599 -7.275 8.559 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -3.859 -3.208 7.541 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -4.277 -6.741 10.934 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -3.546 -2.667 9.914 1.00 0.00 H new ATOM 0 HZ PHE A 73 -3.750 -4.434 11.617 1.00 0.00 H new ATOM 1173 N ILE A 74 -1.904 -4.322 5.785 1.00 0.00 N ATOM 1174 CA ILE A 74 -0.752 -3.475 6.057 1.00 0.00 C ATOM 1175 C ILE A 74 -1.061 -2.007 5.741 1.00 0.00 C ATOM 1176 O ILE A 74 -1.443 -1.673 4.615 1.00 0.00 O ATOM 1177 CB ILE A 74 0.477 -3.925 5.244 1.00 0.00 C ATOM 1178 CG1 ILE A 74 1.717 -3.161 5.705 1.00 0.00 C ATOM 1179 CG2 ILE A 74 0.240 -3.724 3.757 1.00 0.00 C ATOM 1180 CD1 ILE A 74 2.963 -3.500 4.915 1.00 0.00 C ATOM 0 H ILE A 74 -2.655 -3.865 5.267 1.00 0.00 H new ATOM 0 HA ILE A 74 -0.527 -3.571 7.119 1.00 0.00 H new ATOM 0 HB ILE A 74 0.640 -4.989 5.416 1.00 0.00 H new ATOM 0 HG12 ILE A 74 1.525 -2.091 5.625 1.00 0.00 H new ATOM 0 HG13 ILE A 74 1.895 -3.375 6.759 1.00 0.00 H new ATOM 0 HG21 ILE A 74 1.120 -4.048 3.201 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -0.623 -4.311 3.444 1.00 0.00 H new ATOM 0 HG23 ILE A 74 0.053 -2.669 3.558 1.00 0.00 H new ATOM 0 HD11 ILE A 74 3.804 -2.921 5.296 1.00 0.00 H new ATOM 0 HD12 ILE A 74 3.179 -4.564 5.015 1.00 0.00 H new ATOM 0 HD13 ILE A 74 2.804 -3.260 3.864 1.00 0.00 H new ATOM 1192 N TYR A 75 -0.894 -1.140 6.739 1.00 0.00 N ATOM 1193 CA TYR A 75 -1.154 0.292 6.572 1.00 0.00 C ATOM 1194 C TYR A 75 0.145 1.072 6.395 1.00 0.00 C ATOM 1195 O TYR A 75 1.122 0.835 7.107 1.00 0.00 O ATOM 1196 CB TYR A 75 -1.901 0.849 7.787 1.00 0.00 C ATOM 1197 CG TYR A 75 -3.335 0.389 7.908 1.00 0.00 C ATOM 1198 CD1 TYR A 75 -4.295 0.789 6.988 1.00 0.00 C ATOM 1199 CD2 TYR A 75 -3.730 -0.443 8.948 1.00 0.00 C ATOM 1200 CE1 TYR A 75 -5.608 0.375 7.101 1.00 0.00 C ATOM 1201 CE2 TYR A 75 -5.041 -0.864 9.067 1.00 0.00 C ATOM 1202 CZ TYR A 75 -5.976 -0.452 8.141 1.00 0.00 C ATOM 1203 OH TYR A 75 -7.283 -0.867 8.257 1.00 0.00 O ATOM 0 H TYR A 75 -0.580 -1.403 7.673 1.00 0.00 H new ATOM 0 HA TYR A 75 -1.766 0.408 5.677 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -1.363 0.562 8.691 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -1.885 1.938 7.739 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -4.010 1.435 6.170 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -3.000 -0.766 9.676 1.00 0.00 H new ATOM 0 HE1 TYR A 75 -6.343 0.698 6.378 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -5.332 -1.512 9.881 1.00 0.00 H new ATOM 0 HH TYR A 75 -7.374 -1.446 9.043 1.00 0.00 H new ATOM 1213 N PHE A 76 0.148 2.018 5.458 1.00 0.00 N ATOM 1214 CA PHE A 76 1.328 2.840 5.217 1.00 0.00 C ATOM 1215 C PHE A 76 0.962 4.139 4.508 1.00 0.00 C ATOM 1216 O PHE A 76 0.460 4.130 3.384 1.00 0.00 O ATOM 1217 CB PHE A 76 2.378 2.066 4.418 1.00 0.00 C ATOM 1218 CG PHE A 76 1.861 1.454 3.149 1.00 0.00 C ATOM 1219 CD1 PHE A 76 0.893 0.463 3.184 1.00 0.00 C ATOM 1220 CD2 PHE A 76 2.349 1.865 1.919 1.00 0.00 C ATOM 1221 CE1 PHE A 76 0.423 -0.107 2.017 1.00 0.00 C ATOM 1222 CE2 PHE A 76 1.882 1.299 0.749 1.00 0.00 C ATOM 1223 CZ PHE A 76 0.918 0.311 0.798 1.00 0.00 C ATOM 0 H PHE A 76 -0.648 2.232 4.858 1.00 0.00 H new ATOM 0 HA PHE A 76 1.756 3.097 6.186 1.00 0.00 H new ATOM 0 HB2 PHE A 76 3.201 2.738 4.174 1.00 0.00 H new ATOM 0 HB3 PHE A 76 2.788 1.276 5.048 1.00 0.00 H new ATOM 0 HD1 PHE A 76 0.502 0.133 4.135 1.00 0.00 H new ATOM 0 HD2 PHE A 76 3.103 2.637 1.875 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -0.331 -0.879 2.058 1.00 0.00 H new ATOM 0 HE2 PHE A 76 2.270 1.629 -0.203 1.00 0.00 H new ATOM 0 HZ PHE A 76 0.552 -0.134 -0.116 1.00 0.00 H new ATOM 1233 N TYR A 77 1.218 5.257 5.182 1.00 0.00 N ATOM 1234 CA TYR A 77 0.917 6.578 4.640 1.00 0.00 C ATOM 1235 C TYR A 77 2.048 7.069 3.742 1.00 0.00 C ATOM 1236 O TYR A 77 3.225 6.925 4.073 1.00 0.00 O ATOM 1237 CB TYR A 77 0.686 7.566 5.783 1.00 0.00 C ATOM 1238 CG TYR A 77 0.370 8.973 5.331 1.00 0.00 C ATOM 1239 CD1 TYR A 77 -0.745 9.238 4.544 1.00 0.00 C ATOM 1240 CD2 TYR A 77 1.182 10.038 5.698 1.00 0.00 C ATOM 1241 CE1 TYR A 77 -1.039 10.525 4.136 1.00 0.00 C ATOM 1242 CE2 TYR A 77 0.895 11.327 5.294 1.00 0.00 C ATOM 1243 CZ TYR A 77 -0.217 11.566 4.514 1.00 0.00 C ATOM 1244 OH TYR A 77 -0.507 12.848 4.113 1.00 0.00 O ATOM 0 H TYR A 77 1.637 5.273 6.112 1.00 0.00 H new ATOM 0 HA TYR A 77 0.012 6.506 4.037 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -0.134 7.203 6.402 1.00 0.00 H new ATOM 0 HB3 TYR A 77 1.575 7.590 6.413 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -1.391 8.425 4.247 1.00 0.00 H new ATOM 0 HD2 TYR A 77 2.053 9.855 6.310 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -1.908 10.715 3.524 1.00 0.00 H new ATOM 0 HE2 TYR A 77 1.538 12.144 5.587 1.00 0.00 H new ATOM 0 HH TYR A 77 0.302 13.269 3.753 1.00 0.00 H new ATOM 1254 N LEU A 78 1.684 7.646 2.602 1.00 0.00 N ATOM 1255 CA LEU A 78 2.667 8.156 1.654 1.00 0.00 C ATOM 1256 C LEU A 78 2.250 9.522 1.119 1.00 0.00 C ATOM 1257 O LEU A 78 1.161 9.679 0.569 1.00 0.00 O ATOM 1258 CB LEU A 78 2.839 7.176 0.492 1.00 0.00 C ATOM 1259 CG LEU A 78 3.298 5.773 0.892 1.00 0.00 C ATOM 1260 CD1 LEU A 78 3.383 4.875 -0.331 1.00 0.00 C ATOM 1261 CD2 LEU A 78 4.643 5.834 1.602 1.00 0.00 C ATOM 0 H LEU A 78 0.714 7.772 2.312 1.00 0.00 H new ATOM 0 HA LEU A 78 3.617 8.264 2.177 1.00 0.00 H new ATOM 0 HB2 LEU A 78 1.890 7.094 -0.038 1.00 0.00 H new ATOM 0 HB3 LEU A 78 3.561 7.592 -0.210 1.00 0.00 H new ATOM 0 HG LEU A 78 2.565 5.353 1.580 1.00 0.00 H new ATOM 0 HD11 LEU A 78 3.711 3.880 -0.030 1.00 0.00 H new ATOM 0 HD12 LEU A 78 2.402 4.807 -0.801 1.00 0.00 H new ATOM 0 HD13 LEU A 78 4.097 5.293 -1.040 1.00 0.00 H new ATOM 0 HD21 LEU A 78 4.954 4.827 1.879 1.00 0.00 H new ATOM 0 HD22 LEU A 78 5.386 6.273 0.936 1.00 0.00 H new ATOM 0 HD23 LEU A 78 4.553 6.446 2.499 1.00 0.00 H new ATOM 1273 N GLY A 79 3.126 10.511 1.285 1.00 0.00 N ATOM 1274 CA GLY A 79 2.828 11.852 0.813 1.00 0.00 C ATOM 1275 C GLY A 79 1.510 12.377 1.348 1.00 0.00 C ATOM 1276 O GLY A 79 1.404 12.722 2.525 1.00 0.00 O ATOM 0 H GLY A 79 4.035 10.407 1.737 1.00 0.00 H new ATOM 0 HA2 GLY A 79 3.631 12.525 1.111 1.00 0.00 H new ATOM 0 HA3 GLY A 79 2.800 11.852 -0.277 1.00 0.00 H new ATOM 1280 N GLN A 80 0.503 12.434 0.482 1.00 0.00 N ATOM 1281 CA GLN A 80 -0.817 12.915 0.876 1.00 0.00 C ATOM 1282 C GLN A 80 -1.903 11.893 0.545 1.00 0.00 C ATOM 1283 O GLN A 80 -3.034 12.255 0.221 1.00 0.00 O ATOM 1284 CB GLN A 80 -1.116 14.265 0.214 1.00 0.00 C ATOM 1285 CG GLN A 80 -0.679 14.358 -1.240 1.00 0.00 C ATOM 1286 CD GLN A 80 -1.374 13.349 -2.130 1.00 0.00 C ATOM 1287 OE1 GLN A 80 -2.601 13.327 -2.225 1.00 0.00 O ATOM 1288 NE2 GLN A 80 -0.588 12.508 -2.794 1.00 0.00 N ATOM 0 H GLN A 80 0.575 12.154 -0.496 1.00 0.00 H new ATOM 0 HA GLN A 80 -0.815 13.054 1.957 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -2.188 14.456 0.272 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -0.620 15.053 0.782 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -0.881 15.363 -1.611 1.00 0.00 H new ATOM 0 HG3 GLN A 80 0.399 14.207 -1.301 1.00 0.00 H new ATOM 0 HE21 GLN A 80 0.425 12.562 -2.685 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -0.997 11.808 -3.413 1.00 0.00 H new ATOM 1297 N VAL A 81 -1.548 10.613 0.645 1.00 0.00 N ATOM 1298 CA VAL A 81 -2.481 9.525 0.376 1.00 0.00 C ATOM 1299 C VAL A 81 -2.056 8.259 1.113 1.00 0.00 C ATOM 1300 O VAL A 81 -0.930 7.786 0.962 1.00 0.00 O ATOM 1301 CB VAL A 81 -2.573 9.218 -1.133 1.00 0.00 C ATOM 1302 CG1 VAL A 81 -3.460 8.005 -1.388 1.00 0.00 C ATOM 1303 CG2 VAL A 81 -3.092 10.427 -1.892 1.00 0.00 C ATOM 0 H VAL A 81 -0.613 10.305 0.913 1.00 0.00 H new ATOM 0 HA VAL A 81 -3.460 9.848 0.730 1.00 0.00 H new ATOM 0 HB VAL A 81 -1.571 8.987 -1.494 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -3.509 7.809 -2.459 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -3.043 7.136 -0.879 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -4.463 8.201 -1.009 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -3.150 10.192 -2.955 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -4.084 10.690 -1.524 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -2.415 11.268 -1.743 1.00 0.00 H new ATOM 1313 N ALA A 82 -2.968 7.712 1.911 1.00 0.00 N ATOM 1314 CA ALA A 82 -2.688 6.499 2.667 1.00 0.00 C ATOM 1315 C ALA A 82 -3.030 5.259 1.851 1.00 0.00 C ATOM 1316 O ALA A 82 -4.113 5.167 1.270 1.00 0.00 O ATOM 1317 CB ALA A 82 -3.465 6.503 3.976 1.00 0.00 C ATOM 0 H ALA A 82 -3.905 8.090 2.050 1.00 0.00 H new ATOM 0 HA ALA A 82 -1.622 6.474 2.891 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -3.247 5.591 4.531 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -3.172 7.369 4.570 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -4.533 6.552 3.765 1.00 0.00 H new ATOM 1323 N ILE A 83 -2.105 4.306 1.808 1.00 0.00 N ATOM 1324 CA ILE A 83 -2.319 3.072 1.063 1.00 0.00 C ATOM 1325 C ILE A 83 -2.488 1.896 2.015 1.00 0.00 C ATOM 1326 O ILE A 83 -1.788 1.795 3.026 1.00 0.00 O ATOM 1327 CB ILE A 83 -1.156 2.797 0.082 1.00 0.00 C ATOM 1328 CG1 ILE A 83 -0.994 3.972 -0.880 1.00 0.00 C ATOM 1329 CG2 ILE A 83 -1.390 1.508 -0.697 1.00 0.00 C ATOM 1330 CD1 ILE A 83 0.152 3.803 -1.853 1.00 0.00 C ATOM 0 H ILE A 83 -1.202 4.365 2.279 1.00 0.00 H new ATOM 0 HA ILE A 83 -3.233 3.192 0.481 1.00 0.00 H new ATOM 0 HB ILE A 83 -0.240 2.681 0.662 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -1.920 4.102 -1.441 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -0.839 4.884 -0.304 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -0.557 1.339 -1.379 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -1.465 0.672 -0.002 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -2.315 1.590 -1.267 1.00 0.00 H new ATOM 0 HD11 ILE A 83 0.207 4.675 -2.505 1.00 0.00 H new ATOM 0 HD12 ILE A 83 1.086 3.703 -1.301 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -0.011 2.909 -2.455 1.00 0.00 H new ATOM 1342 N LEU A 84 -3.435 1.013 1.700 1.00 0.00 N ATOM 1343 CA LEU A 84 -3.701 -0.145 2.553 1.00 0.00 C ATOM 1344 C LEU A 84 -3.873 -1.422 1.741 1.00 0.00 C ATOM 1345 O LEU A 84 -4.829 -1.561 0.980 1.00 0.00 O ATOM 1346 CB LEU A 84 -4.949 0.106 3.404 1.00 0.00 C ATOM 1347 CG LEU A 84 -5.373 -1.050 4.317 1.00 0.00 C ATOM 1348 CD1 LEU A 84 -5.952 -2.200 3.509 1.00 0.00 C ATOM 1349 CD2 LEU A 84 -4.193 -1.531 5.150 1.00 0.00 C ATOM 0 H LEU A 84 -4.025 1.075 0.870 1.00 0.00 H new ATOM 0 HA LEU A 84 -2.836 -0.281 3.203 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -4.774 0.987 4.021 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -5.779 0.342 2.738 1.00 0.00 H new ATOM 0 HG LEU A 84 -6.149 -0.682 4.988 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -6.244 -3.006 4.182 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -6.826 -1.853 2.957 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -5.202 -2.566 2.808 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -4.512 -2.352 5.792 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -3.397 -1.875 4.489 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -3.824 -0.711 5.766 1.00 0.00 H new ATOM 1361 N LEU A 85 -2.958 -2.366 1.939 1.00 0.00 N ATOM 1362 CA LEU A 85 -3.017 -3.655 1.253 1.00 0.00 C ATOM 1363 C LEU A 85 -3.674 -4.689 2.162 1.00 0.00 C ATOM 1364 O LEU A 85 -3.389 -4.731 3.359 1.00 0.00 O ATOM 1365 CB LEU A 85 -1.606 -4.105 0.857 1.00 0.00 C ATOM 1366 CG LEU A 85 -1.504 -5.495 0.228 1.00 0.00 C ATOM 1367 CD1 LEU A 85 -2.337 -5.576 -1.041 1.00 0.00 C ATOM 1368 CD2 LEU A 85 -0.050 -5.829 -0.067 1.00 0.00 C ATOM 0 H LEU A 85 -2.164 -2.263 2.571 1.00 0.00 H new ATOM 0 HA LEU A 85 -3.613 -3.555 0.346 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -1.197 -3.378 0.155 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -0.975 -4.081 1.745 1.00 0.00 H new ATOM 0 HG LEU A 85 -1.896 -6.225 0.936 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -2.249 -6.574 -1.471 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -3.382 -5.374 -0.804 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -1.979 -4.839 -1.759 1.00 0.00 H new ATOM 0 HD21 LEU A 85 0.012 -6.821 -0.515 1.00 0.00 H new ATOM 0 HD22 LEU A 85 0.359 -5.093 -0.758 1.00 0.00 H new ATOM 0 HD23 LEU A 85 0.522 -5.813 0.861 1.00 0.00 H new ATOM 1380 N PHE A 86 -4.568 -5.510 1.610 1.00 0.00 N ATOM 1381 CA PHE A 86 -5.253 -6.510 2.421 1.00 0.00 C ATOM 1382 C PHE A 86 -5.450 -7.813 1.659 1.00 0.00 C ATOM 1383 O PHE A 86 -6.046 -7.831 0.586 1.00 0.00 O ATOM 1384 CB PHE A 86 -6.604 -5.963 2.900 1.00 0.00 C ATOM 1385 CG PHE A 86 -7.568 -5.630 1.793 1.00 0.00 C ATOM 1386 CD1 PHE A 86 -8.259 -6.632 1.130 1.00 0.00 C ATOM 1387 CD2 PHE A 86 -7.781 -4.314 1.414 1.00 0.00 C ATOM 1388 CE1 PHE A 86 -9.142 -6.328 0.111 1.00 0.00 C ATOM 1389 CE2 PHE A 86 -8.663 -4.004 0.397 1.00 0.00 C ATOM 1390 CZ PHE A 86 -9.344 -5.012 -0.256 1.00 0.00 C ATOM 0 H PHE A 86 -4.829 -5.502 0.624 1.00 0.00 H new ATOM 0 HA PHE A 86 -4.625 -6.726 3.286 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -7.066 -6.698 3.559 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -6.429 -5.066 3.495 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -8.106 -7.663 1.413 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -7.251 -3.521 1.920 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -9.673 -7.119 -0.398 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -8.820 -2.974 0.113 1.00 0.00 H new ATOM 0 HZ PHE A 86 -10.033 -4.772 -1.052 1.00 0.00 H new ATOM 1400 N LYS A 87 -4.950 -8.906 2.228 1.00 0.00 N ATOM 1401 CA LYS A 87 -5.082 -10.216 1.603 1.00 0.00 C ATOM 1402 C LYS A 87 -6.426 -10.826 1.980 1.00 0.00 C ATOM 1403 O LYS A 87 -6.489 -11.798 2.731 1.00 0.00 O ATOM 1404 CB LYS A 87 -3.943 -11.140 2.038 1.00 0.00 C ATOM 1405 CG LYS A 87 -3.734 -12.341 1.123 1.00 0.00 C ATOM 1406 CD LYS A 87 -4.972 -13.223 1.035 1.00 0.00 C ATOM 1407 CE LYS A 87 -4.707 -14.470 0.210 1.00 0.00 C ATOM 1408 NZ LYS A 87 -3.615 -15.299 0.792 1.00 0.00 N ATOM 0 H LYS A 87 -4.451 -8.910 3.118 1.00 0.00 H new ATOM 0 HA LYS A 87 -5.029 -10.097 0.521 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -3.018 -10.564 2.081 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -4.144 -11.497 3.048 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -3.467 -11.993 0.125 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -2.895 -12.932 1.489 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -5.289 -13.509 2.038 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -5.792 -12.659 0.591 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -5.619 -15.064 0.146 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -4.442 -14.183 -0.807 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -3.653 -16.256 0.388 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -2.695 -14.866 0.572 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -3.733 -15.354 1.824 1.00 0.00 H new ATOM 1422 N SER A 88 -7.499 -10.245 1.459 1.00 0.00 N ATOM 1423 CA SER A 88 -8.840 -10.732 1.752 1.00 0.00 C ATOM 1424 C SER A 88 -9.140 -12.000 0.955 1.00 0.00 C ATOM 1425 O SER A 88 -10.036 -12.019 0.112 1.00 0.00 O ATOM 1426 CB SER A 88 -9.878 -9.655 1.439 1.00 0.00 C ATOM 1427 OG SER A 88 -11.189 -10.113 1.718 1.00 0.00 O ATOM 0 H SER A 88 -7.467 -9.439 0.834 1.00 0.00 H new ATOM 0 HA SER A 88 -8.892 -10.971 2.814 1.00 0.00 H new ATOM 0 HB2 SER A 88 -9.669 -8.762 2.028 1.00 0.00 H new ATOM 0 HB3 SER A 88 -9.805 -9.369 0.390 1.00 0.00 H new ATOM 0 HG SER A 88 -11.382 -10.904 1.172 1.00 0.00 H new ATOM 1433 N GLY A 89 -8.383 -13.057 1.230 1.00 0.00 N ATOM 1434 CA GLY A 89 -8.583 -14.314 0.531 1.00 0.00 C ATOM 1435 C GLY A 89 -8.591 -15.506 1.469 1.00 0.00 C ATOM 1436 O GLY A 89 -8.030 -15.392 2.579 1.00 0.00 O ATOM 1437 OXT GLY A 89 -9.161 -16.552 1.094 1.00 0.00 O ATOM 0 H GLY A 89 -7.635 -13.066 1.924 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -9.527 -14.277 -0.013 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -7.794 -14.444 -0.209 1.00 0.00 H new TER 1441 GLY A 89