USER MOD reduce.3.24.130724 H: found=0, std=0, add=713, rem=0, adj=32 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 70 THR OG1 : rot -158:sc= -3.12! USER MOD Set 1.2: A 71 LYS NZ :NH3+ -171:sc= 1.02 (180deg=0) USER MOD Set 2.1: A 17 MET CE :methyl -112:sc= -1.49 (180deg=-4.62!) USER MOD Set 2.2: A 50 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 10 ASN : amide:sc= -1.2 K(o=-0.25,f=-0.92) USER MOD Set 3.2: A 75 TYR OH : rot 67:sc= 0.944 USER MOD Single : A 1 MET CE :methyl 171:sc= -0.455 (180deg=-0.825) USER MOD Single : A 1 MET N :NH3+ -137:sc= 0.0434 (180deg=-0.474) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 168:sc= -1.79 (180deg=-2.19) USER MOD Single : A 13 MET CE :methyl 149:sc= -5.34! (180deg=-10.5!) USER MOD Single : A 14 SER OG : rot -128:sc= 0.0448 USER MOD Single : A 18 GLN :FLIP amide:sc= -1.54 F(o=-2.7!,f=-1.5) USER MOD Single : A 19 GLN :FLIP amide:sc= 0 F(o=-1.1!,f=0) USER MOD Single : A 24 CYS SG : rot 131:sc= -1.31 USER MOD Single : A 26 THR OG1 : rot 70:sc= 0.741 USER MOD Single : A 27 GLN : amide:sc= -0.0848 X(o=-0.085,f=-0.085) USER MOD Single : A 29 MET CE :methyl -144:sc= -0.175 (180deg=-1.18) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 TYR OH : rot 180:sc= -0.884 USER MOD Single : A 33 ASN : amide:sc= -0.919 K(o=-0.92,f=-3.4!) USER MOD Single : A 36 LYS NZ :NH3+ -163:sc= -0.0527 (180deg=-0.397) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ -167:sc= -0.0293 (180deg=-0.23) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 ASN : amide:sc= -0.131 K(o=-0.13,f=-2.1) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 HIS : no HE2:sc= -1.2 K(o=-1.2,f=-2.5) USER MOD Single : A 56 CYS SG : rot 180:sc= -1.65 USER MOD Single : A 61 ASN :FLIP amide:sc= -1.54! C(o=-5!,f=-1.5!) USER MOD Single : A 64 SER OG : rot 62:sc= 0.247 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 : no HE2:sc= 0.0179 K(o=0.018,f=-1.4) USER MOD Single : A 72 HIS : no HD1:sc= -1.98 K(o=-2,f=-3!) USER MOD Single : A 77 TYR OH : rot 180:sc= -0.76 USER MOD Single : A 80 GLN :FLIP amide:sc= -1.75! C(o=-2.3!,f=-1.8!) USER MOD Single : A 87 LYS NZ :NH3+ -162:sc= -1.93! (180deg=-2.76!) USER MOD Single : A 88 SER OG : rot 56:sc= 0.657 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 5.391 14.274 13.240 1.00 0.00 N ATOM 2 CA MET A 1 5.518 15.177 12.067 1.00 0.00 C ATOM 3 C MET A 1 5.348 14.409 10.760 1.00 0.00 C ATOM 4 O MET A 1 5.020 13.222 10.763 1.00 0.00 O ATOM 5 CB MET A 1 6.896 15.842 12.111 1.00 0.00 C ATOM 6 CG MET A 1 7.131 16.668 13.366 1.00 0.00 C ATOM 7 SD MET A 1 8.760 17.440 13.392 1.00 0.00 S ATOM 8 CE MET A 1 8.676 18.456 11.919 1.00 0.00 C ATOM 0 H1 MET A 1 4.812 14.734 13.971 1.00 0.00 H new ATOM 0 H2 MET A 1 4.936 13.386 12.947 1.00 0.00 H new ATOM 0 H3 MET A 1 6.335 14.069 13.624 1.00 0.00 H new ATOM 0 HA MET A 1 4.733 15.932 12.110 1.00 0.00 H new ATOM 0 HB2 MET A 1 7.665 15.072 12.043 1.00 0.00 H new ATOM 0 HB3 MET A 1 7.009 16.483 11.237 1.00 0.00 H new ATOM 0 HG2 MET A 1 6.366 17.441 13.437 1.00 0.00 H new ATOM 0 HG3 MET A 1 7.021 16.030 14.243 1.00 0.00 H new ATOM 0 HE1 MET A 1 9.543 19.116 11.882 1.00 0.00 H new ATOM 0 HE2 MET A 1 8.669 17.817 11.036 1.00 0.00 H new ATOM 0 HE3 MET A 1 7.765 19.054 11.941 1.00 0.00 H new ATOM 20 N SER A 2 5.573 15.093 9.642 1.00 0.00 N ATOM 21 CA SER A 2 5.442 14.475 8.328 1.00 0.00 C ATOM 22 C SER A 2 6.446 15.072 7.345 1.00 0.00 C ATOM 23 O SER A 2 6.069 15.770 6.403 1.00 0.00 O ATOM 24 CB SER A 2 4.019 14.650 7.797 1.00 0.00 C ATOM 25 OG SER A 2 3.874 14.055 6.519 1.00 0.00 O ATOM 0 H SER A 2 5.847 16.075 9.620 1.00 0.00 H new ATOM 0 HA SER A 2 5.652 13.410 8.431 1.00 0.00 H new ATOM 0 HB2 SER A 2 3.310 14.201 8.493 1.00 0.00 H new ATOM 0 HB3 SER A 2 3.778 15.711 7.737 1.00 0.00 H new ATOM 0 HG SER A 2 2.955 14.180 6.203 1.00 0.00 H new ATOM 31 N ASP A 3 7.726 14.795 7.572 1.00 0.00 N ATOM 32 CA ASP A 3 8.783 15.303 6.709 1.00 0.00 C ATOM 33 C ASP A 3 9.387 14.181 5.870 1.00 0.00 C ATOM 34 O ASP A 3 10.599 14.134 5.660 1.00 0.00 O ATOM 35 CB ASP A 3 9.874 15.975 7.546 1.00 0.00 C ATOM 36 CG ASP A 3 9.346 17.144 8.358 1.00 0.00 C ATOM 37 OD1 ASP A 3 8.134 17.430 8.270 1.00 0.00 O ATOM 38 OD2 ASP A 3 10.147 17.772 9.081 1.00 0.00 O ATOM 0 H ASP A 3 8.055 14.221 8.348 1.00 0.00 H new ATOM 0 HA ASP A 3 8.346 16.040 6.035 1.00 0.00 H new ATOM 0 HB2 ASP A 3 10.316 15.240 8.218 1.00 0.00 H new ATOM 0 HB3 ASP A 3 10.670 16.324 6.888 1.00 0.00 H new ATOM 43 N ARG A 4 8.535 13.281 5.392 1.00 0.00 N ATOM 44 CA ARG A 4 8.985 12.158 4.576 1.00 0.00 C ATOM 45 C ARG A 4 7.907 11.741 3.581 1.00 0.00 C ATOM 46 O ARG A 4 6.805 12.291 3.578 1.00 0.00 O ATOM 47 CB ARG A 4 9.358 10.972 5.465 1.00 0.00 C ATOM 48 CG ARG A 4 10.464 11.282 6.463 1.00 0.00 C ATOM 49 CD ARG A 4 10.795 10.070 7.319 1.00 0.00 C ATOM 50 NE ARG A 4 11.838 10.358 8.301 1.00 0.00 N ATOM 51 CZ ARG A 4 11.685 11.199 9.322 1.00 0.00 C ATOM 52 NH1 ARG A 4 10.519 11.801 9.528 1.00 0.00 N ATOM 53 NH2 ARG A 4 12.695 11.428 10.150 1.00 0.00 N ATOM 0 H ARG A 4 7.528 13.307 5.555 1.00 0.00 H new ATOM 0 HA ARG A 4 9.865 12.477 4.018 1.00 0.00 H new ATOM 0 HB2 ARG A 4 8.472 10.643 6.008 1.00 0.00 H new ATOM 0 HB3 ARG A 4 9.672 10.141 4.834 1.00 0.00 H new ATOM 0 HG2 ARG A 4 11.357 11.607 5.929 1.00 0.00 H new ATOM 0 HG3 ARG A 4 10.157 12.109 7.104 1.00 0.00 H new ATOM 0 HD2 ARG A 4 9.895 9.734 7.835 1.00 0.00 H new ATOM 0 HD3 ARG A 4 11.119 9.251 6.677 1.00 0.00 H new ATOM 0 HE ARG A 4 12.737 9.887 8.198 1.00 0.00 H new ATOM 0 HH11 ARG A 4 9.734 11.620 8.902 1.00 0.00 H new ATOM 0 HH12 ARG A 4 10.409 12.444 10.312 1.00 0.00 H new ATOM 0 HH21 ARG A 4 13.590 10.960 10.005 1.00 0.00 H new ATOM 0 HH22 ARG A 4 12.577 12.072 10.932 1.00 0.00 H new ATOM 67 N LYS A 5 8.231 10.764 2.741 1.00 0.00 N ATOM 68 CA LYS A 5 7.292 10.269 1.744 1.00 0.00 C ATOM 69 C LYS A 5 7.298 8.744 1.703 1.00 0.00 C ATOM 70 O LYS A 5 7.280 8.141 0.630 1.00 0.00 O ATOM 71 CB LYS A 5 7.629 10.836 0.363 1.00 0.00 C ATOM 72 CG LYS A 5 7.542 12.351 0.292 1.00 0.00 C ATOM 73 CD LYS A 5 7.854 12.863 -1.105 1.00 0.00 C ATOM 74 CE LYS A 5 7.751 14.377 -1.178 1.00 0.00 C ATOM 75 NZ LYS A 5 8.046 14.889 -2.545 1.00 0.00 N ATOM 0 H LYS A 5 9.139 10.299 2.732 1.00 0.00 H new ATOM 0 HA LYS A 5 6.293 10.602 2.025 1.00 0.00 H new ATOM 0 HB2 LYS A 5 8.636 10.525 0.087 1.00 0.00 H new ATOM 0 HB3 LYS A 5 6.950 10.406 -0.373 1.00 0.00 H new ATOM 0 HG2 LYS A 5 6.542 12.673 0.584 1.00 0.00 H new ATOM 0 HG3 LYS A 5 8.239 12.790 1.006 1.00 0.00 H new ATOM 0 HD2 LYS A 5 8.858 12.551 -1.392 1.00 0.00 H new ATOM 0 HD3 LYS A 5 7.164 12.415 -1.820 1.00 0.00 H new ATOM 0 HE2 LYS A 5 6.749 14.687 -0.883 1.00 0.00 H new ATOM 0 HE3 LYS A 5 8.445 14.823 -0.466 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 7.965 15.926 -2.552 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 9.012 14.615 -2.817 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 7.368 14.484 -3.221 1.00 0.00 H new ATOM 89 N ALA A 6 7.320 8.129 2.880 1.00 0.00 N ATOM 90 CA ALA A 6 7.326 6.675 2.986 1.00 0.00 C ATOM 91 C ALA A 6 7.261 6.236 4.444 1.00 0.00 C ATOM 92 O ALA A 6 8.284 5.928 5.058 1.00 0.00 O ATOM 93 CB ALA A 6 8.562 6.101 2.313 1.00 0.00 C ATOM 0 H ALA A 6 7.334 8.616 3.776 1.00 0.00 H new ATOM 0 HA ALA A 6 6.441 6.292 2.477 1.00 0.00 H new ATOM 0 HB1 ALA A 6 8.552 5.015 2.400 1.00 0.00 H new ATOM 0 HB2 ALA A 6 8.565 6.380 1.259 1.00 0.00 H new ATOM 0 HB3 ALA A 6 9.456 6.496 2.796 1.00 0.00 H new ATOM 99 N VAL A 7 6.052 6.216 4.997 1.00 0.00 N ATOM 100 CA VAL A 7 5.853 5.822 6.387 1.00 0.00 C ATOM 101 C VAL A 7 4.703 4.833 6.513 1.00 0.00 C ATOM 102 O VAL A 7 3.773 4.853 5.713 1.00 0.00 O ATOM 103 CB VAL A 7 5.535 7.041 7.271 1.00 0.00 C ATOM 104 CG1 VAL A 7 5.501 6.645 8.740 1.00 0.00 C ATOM 105 CG2 VAL A 7 6.539 8.156 7.029 1.00 0.00 C ATOM 0 H VAL A 7 5.196 6.468 4.504 1.00 0.00 H new ATOM 0 HA VAL A 7 6.782 5.358 6.720 1.00 0.00 H new ATOM 0 HB VAL A 7 4.547 7.414 7.000 1.00 0.00 H new ATOM 0 HG11 VAL A 7 5.275 7.521 9.348 1.00 0.00 H new ATOM 0 HG12 VAL A 7 4.733 5.887 8.895 1.00 0.00 H new ATOM 0 HG13 VAL A 7 6.471 6.242 9.031 1.00 0.00 H new ATOM 0 HG21 VAL A 7 6.296 9.008 7.664 1.00 0.00 H new ATOM 0 HG22 VAL A 7 7.542 7.801 7.267 1.00 0.00 H new ATOM 0 HG23 VAL A 7 6.500 8.460 5.983 1.00 0.00 H new ATOM 115 N ILE A 8 4.763 3.984 7.534 1.00 0.00 N ATOM 116 CA ILE A 8 3.713 3.002 7.773 1.00 0.00 C ATOM 117 C ILE A 8 3.012 3.281 9.099 1.00 0.00 C ATOM 118 O ILE A 8 3.624 3.190 10.163 1.00 0.00 O ATOM 119 CB ILE A 8 4.263 1.561 7.785 1.00 0.00 C ATOM 120 CG1 ILE A 8 4.958 1.244 6.457 1.00 0.00 C ATOM 121 CG2 ILE A 8 3.143 0.561 8.059 1.00 0.00 C ATOM 122 CD1 ILE A 8 5.419 -0.191 6.345 1.00 0.00 C ATOM 0 H ILE A 8 5.528 3.957 8.209 1.00 0.00 H new ATOM 0 HA ILE A 8 3.002 3.091 6.952 1.00 0.00 H new ATOM 0 HB ILE A 8 4.997 1.478 8.586 1.00 0.00 H new ATOM 0 HG12 ILE A 8 4.274 1.463 5.637 1.00 0.00 H new ATOM 0 HG13 ILE A 8 5.818 1.904 6.339 1.00 0.00 H new ATOM 0 HG21 ILE A 8 3.551 -0.450 8.063 1.00 0.00 H new ATOM 0 HG22 ILE A 8 2.693 0.775 9.028 1.00 0.00 H new ATOM 0 HG23 ILE A 8 2.384 0.643 7.281 1.00 0.00 H new ATOM 0 HD11 ILE A 8 5.902 -0.344 5.380 1.00 0.00 H new ATOM 0 HD12 ILE A 8 6.128 -0.409 7.144 1.00 0.00 H new ATOM 0 HD13 ILE A 8 4.560 -0.857 6.430 1.00 0.00 H new ATOM 134 N LYS A 9 1.732 3.628 9.028 1.00 0.00 N ATOM 135 CA LYS A 9 0.960 3.925 10.227 1.00 0.00 C ATOM 136 C LYS A 9 0.602 2.649 10.979 1.00 0.00 C ATOM 137 O LYS A 9 0.609 2.623 12.209 1.00 0.00 O ATOM 138 CB LYS A 9 -0.306 4.699 9.873 1.00 0.00 C ATOM 139 CG LYS A 9 -1.318 3.896 9.080 1.00 0.00 C ATOM 140 CD LYS A 9 -2.589 4.695 8.875 1.00 0.00 C ATOM 141 CE LYS A 9 -2.370 5.863 7.927 1.00 0.00 C ATOM 142 NZ LYS A 9 -1.935 5.409 6.578 1.00 0.00 N ATOM 0 H LYS A 9 1.209 3.710 8.156 1.00 0.00 H new ATOM 0 HA LYS A 9 1.579 4.543 10.877 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -0.775 5.048 10.793 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -0.030 5.584 9.300 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -0.895 3.620 8.114 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -1.546 2.968 9.605 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -3.368 4.044 8.478 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -2.944 5.067 9.836 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -3.293 6.436 7.837 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -1.619 6.533 8.344 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -1.992 6.203 5.909 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -0.954 5.067 6.626 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -2.555 4.639 6.254 1.00 0.00 H new ATOM 156 N ASN A 10 0.285 1.591 10.238 1.00 0.00 N ATOM 157 CA ASN A 10 -0.077 0.318 10.851 1.00 0.00 C ATOM 158 C ASN A 10 -0.009 -0.812 9.829 1.00 0.00 C ATOM 159 O ASN A 10 -0.715 -0.795 8.822 1.00 0.00 O ATOM 160 CB ASN A 10 -1.487 0.404 11.440 1.00 0.00 C ATOM 161 CG ASN A 10 -1.917 -0.842 12.208 1.00 0.00 C ATOM 162 OD1 ASN A 10 -3.084 -0.973 12.574 1.00 0.00 O ATOM 163 ND2 ASN A 10 -0.983 -1.750 12.481 1.00 0.00 N ATOM 0 H ASN A 10 0.272 1.590 9.218 1.00 0.00 H new ATOM 0 HA ASN A 10 0.634 0.105 11.649 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -1.539 1.265 12.107 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -2.197 0.583 10.632 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -1.225 -2.588 13.010 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -0.025 -1.608 12.161 1.00 0.00 H new ATOM 170 N ALA A 11 0.854 -1.790 10.090 1.00 0.00 N ATOM 171 CA ALA A 11 1.015 -2.920 9.185 1.00 0.00 C ATOM 172 C ALA A 11 1.274 -4.213 9.951 1.00 0.00 C ATOM 173 O ALA A 11 2.009 -4.225 10.938 1.00 0.00 O ATOM 174 CB ALA A 11 2.151 -2.645 8.217 1.00 0.00 C ATOM 0 H ALA A 11 1.449 -1.822 10.918 1.00 0.00 H new ATOM 0 HA ALA A 11 0.087 -3.045 8.627 1.00 0.00 H new ATOM 0 HB1 ALA A 11 2.267 -3.493 7.542 1.00 0.00 H new ATOM 0 HB2 ALA A 11 1.927 -1.749 7.638 1.00 0.00 H new ATOM 0 HB3 ALA A 11 3.076 -2.495 8.774 1.00 0.00 H new ATOM 180 N ASP A 12 0.667 -5.304 9.488 1.00 0.00 N ATOM 181 CA ASP A 12 0.837 -6.602 10.130 1.00 0.00 C ATOM 182 C ASP A 12 1.159 -7.696 9.112 1.00 0.00 C ATOM 183 O ASP A 12 1.192 -8.877 9.456 1.00 0.00 O ATOM 184 CB ASP A 12 -0.426 -6.978 10.911 1.00 0.00 C ATOM 185 CG ASP A 12 -0.727 -6.011 12.040 1.00 0.00 C ATOM 186 OD1 ASP A 12 0.056 -5.057 12.231 1.00 0.00 O ATOM 187 OD2 ASP A 12 -1.745 -6.211 12.735 1.00 0.00 O ATOM 0 H ASP A 12 0.055 -5.313 8.672 1.00 0.00 H new ATOM 0 HA ASP A 12 1.679 -6.520 10.817 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -1.275 -7.008 10.228 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -0.310 -7.982 11.319 1.00 0.00 H new ATOM 192 N MET A 13 1.392 -7.306 7.859 1.00 0.00 N ATOM 193 CA MET A 13 1.703 -8.273 6.809 1.00 0.00 C ATOM 194 C MET A 13 3.110 -8.853 6.982 1.00 0.00 C ATOM 195 O MET A 13 3.978 -8.676 6.127 1.00 0.00 O ATOM 196 CB MET A 13 1.560 -7.626 5.430 1.00 0.00 C ATOM 197 CG MET A 13 1.818 -8.576 4.276 1.00 0.00 C ATOM 198 SD MET A 13 0.609 -9.907 4.189 1.00 0.00 S ATOM 199 CE MET A 13 -0.889 -8.972 3.895 1.00 0.00 C ATOM 0 H MET A 13 1.371 -6.335 7.549 1.00 0.00 H new ATOM 0 HA MET A 13 0.991 -9.094 6.890 1.00 0.00 H new ATOM 0 HB2 MET A 13 0.554 -7.218 5.334 1.00 0.00 H new ATOM 0 HB3 MET A 13 2.253 -6.787 5.359 1.00 0.00 H new ATOM 0 HG2 MET A 13 1.805 -8.017 3.340 1.00 0.00 H new ATOM 0 HG3 MET A 13 2.816 -9.003 4.378 1.00 0.00 H new ATOM 0 HE1 MET A 13 -1.578 -9.568 3.297 1.00 0.00 H new ATOM 0 HE2 MET A 13 -1.356 -8.724 4.848 1.00 0.00 H new ATOM 0 HE3 MET A 13 -0.646 -8.054 3.361 1.00 0.00 H new ATOM 209 N SER A 14 3.321 -9.551 8.095 1.00 0.00 N ATOM 210 CA SER A 14 4.602 -10.180 8.408 1.00 0.00 C ATOM 211 C SER A 14 5.676 -9.141 8.693 1.00 0.00 C ATOM 212 O SER A 14 6.207 -9.073 9.799 1.00 0.00 O ATOM 213 CB SER A 14 5.048 -11.087 7.259 1.00 0.00 C ATOM 214 OG SER A 14 6.278 -11.724 7.562 1.00 0.00 O ATOM 0 H SER A 14 2.606 -9.697 8.808 1.00 0.00 H new ATOM 0 HA SER A 14 4.463 -10.782 9.306 1.00 0.00 H new ATOM 0 HB2 SER A 14 4.283 -11.839 7.067 1.00 0.00 H new ATOM 0 HB3 SER A 14 5.154 -10.499 6.347 1.00 0.00 H new ATOM 0 HG SER A 14 6.912 -11.577 6.829 1.00 0.00 H new ATOM 220 N GLU A 15 5.978 -8.343 7.674 1.00 0.00 N ATOM 221 CA GLU A 15 6.992 -7.279 7.752 1.00 0.00 C ATOM 222 C GLU A 15 7.630 -7.041 6.387 1.00 0.00 C ATOM 223 O GLU A 15 7.742 -5.901 5.927 1.00 0.00 O ATOM 224 CB GLU A 15 8.091 -7.611 8.774 1.00 0.00 C ATOM 225 CG GLU A 15 9.223 -6.594 8.808 1.00 0.00 C ATOM 226 CD GLU A 15 10.291 -6.944 9.826 1.00 0.00 C ATOM 227 OE1 GLU A 15 10.893 -8.032 9.704 1.00 0.00 O ATOM 228 OE2 GLU A 15 10.524 -6.132 10.746 1.00 0.00 O ATOM 0 H GLU A 15 5.527 -8.411 6.762 1.00 0.00 H new ATOM 0 HA GLU A 15 6.479 -6.375 8.079 1.00 0.00 H new ATOM 0 HB2 GLU A 15 7.644 -7.677 9.766 1.00 0.00 H new ATOM 0 HB3 GLU A 15 8.504 -8.593 8.544 1.00 0.00 H new ATOM 0 HG2 GLU A 15 9.677 -6.528 7.819 1.00 0.00 H new ATOM 0 HG3 GLU A 15 8.815 -5.610 9.038 1.00 0.00 H new ATOM 235 N ASP A 16 8.052 -8.123 5.744 1.00 0.00 N ATOM 236 CA ASP A 16 8.684 -8.027 4.435 1.00 0.00 C ATOM 237 C ASP A 16 7.809 -7.236 3.465 1.00 0.00 C ATOM 238 O ASP A 16 8.312 -6.636 2.517 1.00 0.00 O ATOM 239 CB ASP A 16 8.999 -9.419 3.879 1.00 0.00 C ATOM 240 CG ASP A 16 7.779 -10.309 3.787 1.00 0.00 C ATOM 241 OD1 ASP A 16 7.110 -10.510 4.822 1.00 0.00 O ATOM 242 OD2 ASP A 16 7.497 -10.813 2.680 1.00 0.00 O ATOM 0 H ASP A 16 7.968 -9.073 6.106 1.00 0.00 H new ATOM 0 HA ASP A 16 9.625 -7.490 4.552 1.00 0.00 H new ATOM 0 HB2 ASP A 16 9.443 -9.317 2.889 1.00 0.00 H new ATOM 0 HB3 ASP A 16 9.744 -9.898 4.514 1.00 0.00 H new ATOM 247 N MET A 17 6.500 -7.212 3.721 1.00 0.00 N ATOM 248 CA MET A 17 5.583 -6.456 2.873 1.00 0.00 C ATOM 249 C MET A 17 5.588 -4.988 3.269 1.00 0.00 C ATOM 250 O MET A 17 5.315 -4.121 2.446 1.00 0.00 O ATOM 251 CB MET A 17 4.162 -7.026 2.927 1.00 0.00 C ATOM 252 CG MET A 17 4.001 -8.330 2.157 1.00 0.00 C ATOM 253 SD MET A 17 4.847 -9.714 2.939 1.00 0.00 S ATOM 254 CE MET A 17 4.452 -11.039 1.799 1.00 0.00 C ATOM 0 H MET A 17 6.057 -7.701 4.499 1.00 0.00 H new ATOM 0 HA MET A 17 5.931 -6.545 1.844 1.00 0.00 H new ATOM 0 HB2 MET A 17 3.885 -7.191 3.968 1.00 0.00 H new ATOM 0 HB3 MET A 17 3.467 -6.288 2.526 1.00 0.00 H new ATOM 0 HG2 MET A 17 2.940 -8.564 2.066 1.00 0.00 H new ATOM 0 HG3 MET A 17 4.387 -8.199 1.146 1.00 0.00 H new ATOM 0 HE1 MET A 17 3.786 -11.752 2.286 1.00 0.00 H new ATOM 0 HE2 MET A 17 3.960 -10.627 0.918 1.00 0.00 H new ATOM 0 HE3 MET A 17 5.369 -11.546 1.499 1.00 0.00 H new ATOM 264 N GLN A 18 5.934 -4.704 4.518 1.00 0.00 N ATOM 265 CA GLN A 18 6.016 -3.327 4.965 1.00 0.00 C ATOM 266 C GLN A 18 7.146 -2.640 4.217 1.00 0.00 C ATOM 267 O GLN A 18 7.011 -1.506 3.756 1.00 0.00 O ATOM 268 CB GLN A 18 6.258 -3.276 6.472 1.00 0.00 C ATOM 269 CG GLN A 18 5.038 -3.671 7.280 1.00 0.00 C ATOM 270 CD GLN A 18 5.358 -3.908 8.738 1.00 0.00 C ATOM 271 OE1 GLN A 18 5.079 -5.116 9.205 1.00 0.00 O flip ATOM 272 NE2 GLN A 18 5.847 -3.021 9.435 1.00 0.00 N flip ATOM 0 H GLN A 18 6.159 -5.401 5.228 1.00 0.00 H new ATOM 0 HA GLN A 18 5.078 -2.812 4.758 1.00 0.00 H new ATOM 0 HB2 GLN A 18 7.085 -3.940 6.725 1.00 0.00 H new ATOM 0 HB3 GLN A 18 6.562 -2.267 6.752 1.00 0.00 H new ATOM 0 HG2 GLN A 18 4.285 -2.887 7.200 1.00 0.00 H new ATOM 0 HG3 GLN A 18 4.603 -4.576 6.856 1.00 0.00 H new ATOM 0 HE21 GLN A 18 6.045 -2.106 9.031 1.00 0.00 H new ATOM 0 HE22 GLN A 18 6.055 -3.201 10.417 1.00 0.00 H new ATOM 281 N GLN A 19 8.255 -3.357 4.081 1.00 0.00 N ATOM 282 CA GLN A 19 9.417 -2.846 3.373 1.00 0.00 C ATOM 283 C GLN A 19 9.194 -2.862 1.863 1.00 0.00 C ATOM 284 O GLN A 19 9.588 -1.932 1.158 1.00 0.00 O ATOM 285 CB GLN A 19 10.653 -3.670 3.732 1.00 0.00 C ATOM 286 CG GLN A 19 11.915 -3.208 3.025 1.00 0.00 C ATOM 287 CD GLN A 19 13.152 -4.025 3.383 1.00 0.00 C ATOM 288 OE1 GLN A 19 12.996 -5.022 4.251 1.00 0.00 O flip ATOM 289 NE2 GLN A 19 14.241 -3.758 2.878 1.00 0.00 N flip ATOM 0 H GLN A 19 8.372 -4.299 4.455 1.00 0.00 H new ATOM 0 HA GLN A 19 9.574 -1.812 3.680 1.00 0.00 H new ATOM 0 HB2 GLN A 19 10.811 -3.622 4.809 1.00 0.00 H new ATOM 0 HB3 GLN A 19 10.468 -4.715 3.483 1.00 0.00 H new ATOM 0 HG2 GLN A 19 11.757 -3.258 1.948 1.00 0.00 H new ATOM 0 HG3 GLN A 19 12.097 -2.162 3.272 1.00 0.00 H new ATOM 0 HE21 GLN A 19 14.321 -2.986 2.216 1.00 0.00 H new ATOM 0 HE22 GLN A 19 15.064 -4.309 3.121 1.00 0.00 H new ATOM 298 N ASP A 20 8.560 -3.921 1.370 1.00 0.00 N ATOM 299 CA ASP A 20 8.294 -4.046 -0.060 1.00 0.00 C ATOM 300 C ASP A 20 7.214 -3.065 -0.496 1.00 0.00 C ATOM 301 O ASP A 20 7.410 -2.280 -1.424 1.00 0.00 O ATOM 302 CB ASP A 20 7.869 -5.476 -0.403 1.00 0.00 C ATOM 303 CG ASP A 20 8.960 -6.490 -0.118 1.00 0.00 C ATOM 304 OD1 ASP A 20 10.047 -6.081 0.343 1.00 0.00 O ATOM 305 OD2 ASP A 20 8.729 -7.694 -0.356 1.00 0.00 O ATOM 0 H ASP A 20 8.223 -4.701 1.935 1.00 0.00 H new ATOM 0 HA ASP A 20 9.214 -3.812 -0.596 1.00 0.00 H new ATOM 0 HB2 ASP A 20 6.979 -5.734 0.170 1.00 0.00 H new ATOM 0 HB3 ASP A 20 7.596 -5.528 -1.457 1.00 0.00 H new ATOM 310 N ALA A 21 6.076 -3.116 0.182 1.00 0.00 N ATOM 311 CA ALA A 21 4.953 -2.237 -0.123 1.00 0.00 C ATOM 312 C ALA A 21 5.373 -0.773 -0.097 1.00 0.00 C ATOM 313 O ALA A 21 5.120 -0.030 -1.045 1.00 0.00 O ATOM 314 CB ALA A 21 3.815 -2.478 0.857 1.00 0.00 C ATOM 0 H ALA A 21 5.904 -3.762 0.953 1.00 0.00 H new ATOM 0 HA ALA A 21 4.608 -2.468 -1.131 1.00 0.00 H new ATOM 0 HB1 ALA A 21 2.983 -1.816 0.618 1.00 0.00 H new ATOM 0 HB2 ALA A 21 3.486 -3.515 0.785 1.00 0.00 H new ATOM 0 HB3 ALA A 21 4.160 -2.277 1.871 1.00 0.00 H new ATOM 320 N VAL A 22 6.019 -0.359 0.992 1.00 0.00 N ATOM 321 CA VAL A 22 6.468 1.023 1.124 1.00 0.00 C ATOM 322 C VAL A 22 7.373 1.420 -0.040 1.00 0.00 C ATOM 323 O VAL A 22 7.119 2.416 -0.719 1.00 0.00 O ATOM 324 CB VAL A 22 7.209 1.253 2.459 1.00 0.00 C ATOM 325 CG1 VAL A 22 7.807 2.652 2.519 1.00 0.00 C ATOM 326 CG2 VAL A 22 6.265 1.029 3.630 1.00 0.00 C ATOM 0 H VAL A 22 6.241 -0.956 1.789 1.00 0.00 H new ATOM 0 HA VAL A 22 5.577 1.650 1.110 1.00 0.00 H new ATOM 0 HB VAL A 22 8.026 0.534 2.523 1.00 0.00 H new ATOM 0 HG11 VAL A 22 8.323 2.787 3.470 1.00 0.00 H new ATOM 0 HG12 VAL A 22 8.515 2.780 1.700 1.00 0.00 H new ATOM 0 HG13 VAL A 22 7.012 3.392 2.430 1.00 0.00 H new ATOM 0 HG21 VAL A 22 6.800 1.194 4.565 1.00 0.00 H new ATOM 0 HG22 VAL A 22 5.429 1.725 3.562 1.00 0.00 H new ATOM 0 HG23 VAL A 22 5.888 0.006 3.603 1.00 0.00 H new ATOM 336 N ASP A 23 8.422 0.637 -0.276 1.00 0.00 N ATOM 337 CA ASP A 23 9.344 0.925 -1.368 1.00 0.00 C ATOM 338 C ASP A 23 8.670 0.714 -2.716 1.00 0.00 C ATOM 339 O ASP A 23 9.078 1.300 -3.717 1.00 0.00 O ATOM 340 CB ASP A 23 10.601 0.058 -1.263 1.00 0.00 C ATOM 341 CG ASP A 23 11.400 0.352 -0.008 1.00 0.00 C ATOM 342 OD1 ASP A 23 11.818 1.514 0.170 1.00 0.00 O ATOM 343 OD2 ASP A 23 11.612 -0.582 0.794 1.00 0.00 O ATOM 0 H ASP A 23 8.653 -0.194 0.269 1.00 0.00 H new ATOM 0 HA ASP A 23 9.639 1.971 -1.289 1.00 0.00 H new ATOM 0 HB2 ASP A 23 10.316 -0.994 -1.271 1.00 0.00 H new ATOM 0 HB3 ASP A 23 11.229 0.225 -2.138 1.00 0.00 H new ATOM 348 N CYS A 24 7.625 -0.103 -2.739 1.00 0.00 N ATOM 349 CA CYS A 24 6.897 -0.347 -3.973 1.00 0.00 C ATOM 350 C CYS A 24 6.084 0.890 -4.321 1.00 0.00 C ATOM 351 O CYS A 24 5.926 1.235 -5.491 1.00 0.00 O ATOM 352 CB CYS A 24 5.988 -1.569 -3.838 1.00 0.00 C ATOM 353 SG CYS A 24 5.199 -2.071 -5.384 1.00 0.00 S ATOM 0 H CYS A 24 7.267 -0.603 -1.925 1.00 0.00 H new ATOM 0 HA CYS A 24 7.607 -0.553 -4.774 1.00 0.00 H new ATOM 0 HB2 CYS A 24 6.573 -2.404 -3.453 1.00 0.00 H new ATOM 0 HB3 CYS A 24 5.215 -1.354 -3.100 1.00 0.00 H new ATOM 0 HG CYS A 24 5.365 -3.348 -5.561 1.00 0.00 H new ATOM 359 N ALA A 25 5.601 1.572 -3.287 1.00 0.00 N ATOM 360 CA ALA A 25 4.838 2.794 -3.471 1.00 0.00 C ATOM 361 C ALA A 25 5.784 3.957 -3.755 1.00 0.00 C ATOM 362 O ALA A 25 5.417 4.924 -4.422 1.00 0.00 O ATOM 363 CB ALA A 25 3.986 3.082 -2.241 1.00 0.00 C ATOM 0 H ALA A 25 5.727 1.296 -2.313 1.00 0.00 H new ATOM 0 HA ALA A 25 4.170 2.669 -4.323 1.00 0.00 H new ATOM 0 HB1 ALA A 25 3.421 4.001 -2.397 1.00 0.00 H new ATOM 0 HB2 ALA A 25 3.295 2.255 -2.075 1.00 0.00 H new ATOM 0 HB3 ALA A 25 4.631 3.196 -1.370 1.00 0.00 H new ATOM 369 N THR A 26 7.017 3.842 -3.256 1.00 0.00 N ATOM 370 CA THR A 26 8.024 4.870 -3.468 1.00 0.00 C ATOM 371 C THR A 26 8.584 4.765 -4.878 1.00 0.00 C ATOM 372 O THR A 26 8.651 5.752 -5.609 1.00 0.00 O ATOM 373 CB THR A 26 9.151 4.736 -2.442 1.00 0.00 C ATOM 374 OG1 THR A 26 8.645 4.853 -1.125 1.00 0.00 O ATOM 375 CG2 THR A 26 10.241 5.772 -2.609 1.00 0.00 C ATOM 0 H THR A 26 7.336 3.046 -2.704 1.00 0.00 H new ATOM 0 HA THR A 26 7.557 5.847 -3.343 1.00 0.00 H new ATOM 0 HB THR A 26 9.582 3.750 -2.614 1.00 0.00 H new ATOM 0 HG1 THR A 26 8.110 4.061 -0.908 1.00 0.00 H new ATOM 0 HG21 THR A 26 11.008 5.619 -1.850 1.00 0.00 H new ATOM 0 HG22 THR A 26 10.686 5.675 -3.599 1.00 0.00 H new ATOM 0 HG23 THR A 26 9.815 6.769 -2.499 1.00 0.00 H new ATOM 383 N GLN A 27 8.970 3.551 -5.263 1.00 0.00 N ATOM 384 CA GLN A 27 9.504 3.315 -6.597 1.00 0.00 C ATOM 385 C GLN A 27 8.404 3.460 -7.639 1.00 0.00 C ATOM 386 O GLN A 27 8.669 3.776 -8.798 1.00 0.00 O ATOM 387 CB GLN A 27 10.133 1.923 -6.684 1.00 0.00 C ATOM 388 CG GLN A 27 11.311 1.726 -5.745 1.00 0.00 C ATOM 389 CD GLN A 27 12.449 2.688 -6.027 1.00 0.00 C ATOM 390 OE1 GLN A 27 13.010 2.700 -7.123 1.00 0.00 O ATOM 391 NE2 GLN A 27 12.797 3.500 -5.035 1.00 0.00 N ATOM 0 H GLN A 27 8.923 2.721 -4.672 1.00 0.00 H new ATOM 0 HA GLN A 27 10.276 4.058 -6.796 1.00 0.00 H new ATOM 0 HB2 GLN A 27 9.372 1.175 -6.460 1.00 0.00 H new ATOM 0 HB3 GLN A 27 10.462 1.746 -7.708 1.00 0.00 H new ATOM 0 HG2 GLN A 27 10.976 1.857 -4.716 1.00 0.00 H new ATOM 0 HG3 GLN A 27 11.675 0.702 -5.834 1.00 0.00 H new ATOM 0 HE21 GLN A 27 12.304 3.456 -4.143 1.00 0.00 H new ATOM 0 HE22 GLN A 27 13.557 4.168 -5.165 1.00 0.00 H new ATOM 400 N ALA A 28 7.162 3.237 -7.214 1.00 0.00 N ATOM 401 CA ALA A 28 6.021 3.356 -8.110 1.00 0.00 C ATOM 402 C ALA A 28 5.741 4.819 -8.427 1.00 0.00 C ATOM 403 O ALA A 28 5.460 5.174 -9.571 1.00 0.00 O ATOM 404 CB ALA A 28 4.794 2.696 -7.500 1.00 0.00 C ATOM 0 H ALA A 28 6.924 2.974 -6.258 1.00 0.00 H new ATOM 0 HA ALA A 28 6.259 2.843 -9.042 1.00 0.00 H new ATOM 0 HB1 ALA A 28 3.950 2.794 -8.183 1.00 0.00 H new ATOM 0 HB2 ALA A 28 4.998 1.640 -7.325 1.00 0.00 H new ATOM 0 HB3 ALA A 28 4.553 3.180 -6.554 1.00 0.00 H new ATOM 410 N MET A 29 5.824 5.667 -7.405 1.00 0.00 N ATOM 411 CA MET A 29 5.582 7.094 -7.578 1.00 0.00 C ATOM 412 C MET A 29 6.727 7.747 -8.348 1.00 0.00 C ATOM 413 O MET A 29 6.521 8.710 -9.086 1.00 0.00 O ATOM 414 CB MET A 29 5.408 7.774 -6.218 1.00 0.00 C ATOM 415 CG MET A 29 5.143 9.267 -6.314 1.00 0.00 C ATOM 416 SD MET A 29 4.938 10.042 -4.697 1.00 0.00 S ATOM 417 CE MET A 29 3.532 9.134 -4.062 1.00 0.00 C ATOM 0 H MET A 29 6.056 5.390 -6.451 1.00 0.00 H new ATOM 0 HA MET A 29 4.664 7.216 -8.153 1.00 0.00 H new ATOM 0 HB2 MET A 29 4.582 7.300 -5.687 1.00 0.00 H new ATOM 0 HB3 MET A 29 6.306 7.610 -5.622 1.00 0.00 H new ATOM 0 HG2 MET A 29 5.969 9.746 -6.840 1.00 0.00 H new ATOM 0 HG3 MET A 29 4.246 9.435 -6.910 1.00 0.00 H new ATOM 0 HE1 MET A 29 2.903 9.802 -3.474 1.00 0.00 H new ATOM 0 HE2 MET A 29 2.955 8.729 -4.893 1.00 0.00 H new ATOM 0 HE3 MET A 29 3.881 8.317 -3.431 1.00 0.00 H new ATOM 427 N GLU A 30 7.931 7.211 -8.177 1.00 0.00 N ATOM 428 CA GLU A 30 9.103 7.736 -8.866 1.00 0.00 C ATOM 429 C GLU A 30 9.139 7.234 -10.302 1.00 0.00 C ATOM 430 O GLU A 30 9.354 8.005 -11.237 1.00 0.00 O ATOM 431 CB GLU A 30 10.384 7.328 -8.136 1.00 0.00 C ATOM 432 CG GLU A 30 10.501 7.915 -6.737 1.00 0.00 C ATOM 433 CD GLU A 30 11.765 7.476 -6.026 1.00 0.00 C ATOM 434 OE1 GLU A 30 12.866 7.763 -6.541 1.00 0.00 O ATOM 435 OE2 GLU A 30 11.655 6.847 -4.952 1.00 0.00 O ATOM 0 H GLU A 30 8.120 6.415 -7.568 1.00 0.00 H new ATOM 0 HA GLU A 30 9.038 8.824 -8.873 1.00 0.00 H new ATOM 0 HB2 GLU A 30 10.424 6.241 -8.069 1.00 0.00 H new ATOM 0 HB3 GLU A 30 11.245 7.643 -8.726 1.00 0.00 H new ATOM 0 HG2 GLU A 30 10.483 9.003 -6.801 1.00 0.00 H new ATOM 0 HG3 GLU A 30 9.634 7.616 -6.148 1.00 0.00 H new ATOM 442 N LYS A 31 8.919 5.935 -10.470 1.00 0.00 N ATOM 443 CA LYS A 31 8.915 5.325 -11.793 1.00 0.00 C ATOM 444 C LYS A 31 7.610 5.628 -12.527 1.00 0.00 C ATOM 445 O LYS A 31 7.550 5.557 -13.755 1.00 0.00 O ATOM 446 CB LYS A 31 9.115 3.813 -11.682 1.00 0.00 C ATOM 447 CG LYS A 31 9.159 3.106 -13.028 1.00 0.00 C ATOM 448 CD LYS A 31 9.367 1.609 -12.863 1.00 0.00 C ATOM 449 CE LYS A 31 9.433 0.906 -14.210 1.00 0.00 C ATOM 450 NZ LYS A 31 9.635 -0.561 -14.061 1.00 0.00 N ATOM 0 H LYS A 31 8.741 5.284 -9.705 1.00 0.00 H new ATOM 0 HA LYS A 31 9.740 5.750 -12.365 1.00 0.00 H new ATOM 0 HB2 LYS A 31 10.044 3.616 -11.146 1.00 0.00 H new ATOM 0 HB3 LYS A 31 8.307 3.391 -11.085 1.00 0.00 H new ATOM 0 HG2 LYS A 31 8.229 3.288 -13.567 1.00 0.00 H new ATOM 0 HG3 LYS A 31 9.965 3.522 -13.633 1.00 0.00 H new ATOM 0 HD2 LYS A 31 10.289 1.427 -12.310 1.00 0.00 H new ATOM 0 HD3 LYS A 31 8.553 1.190 -12.272 1.00 0.00 H new ATOM 0 HE2 LYS A 31 8.511 1.091 -14.762 1.00 0.00 H new ATOM 0 HE3 LYS A 31 10.248 1.327 -14.800 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 9.675 -1.003 -15.001 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 10.527 -0.739 -13.557 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 8.845 -0.967 -13.520 1.00 0.00 H new ATOM 464 N TYR A 32 6.567 5.965 -11.770 1.00 0.00 N ATOM 465 CA TYR A 32 5.268 6.280 -12.356 1.00 0.00 C ATOM 466 C TYR A 32 4.572 7.387 -11.570 1.00 0.00 C ATOM 467 O TYR A 32 4.763 7.516 -10.361 1.00 0.00 O ATOM 468 CB TYR A 32 4.385 5.030 -12.391 1.00 0.00 C ATOM 469 CG TYR A 32 4.941 3.915 -13.248 1.00 0.00 C ATOM 470 CD1 TYR A 32 5.178 4.104 -14.603 1.00 0.00 C ATOM 471 CD2 TYR A 32 5.227 2.671 -12.698 1.00 0.00 C ATOM 472 CE1 TYR A 32 5.682 3.085 -15.388 1.00 0.00 C ATOM 473 CE2 TYR A 32 5.733 1.647 -13.478 1.00 0.00 C ATOM 474 CZ TYR A 32 5.959 1.859 -14.820 1.00 0.00 C ATOM 475 OH TYR A 32 6.462 0.842 -15.599 1.00 0.00 O ATOM 0 H TYR A 32 6.597 6.026 -10.752 1.00 0.00 H new ATOM 0 HA TYR A 32 5.431 6.630 -13.375 1.00 0.00 H new ATOM 0 HB2 TYR A 32 4.252 4.662 -11.374 1.00 0.00 H new ATOM 0 HB3 TYR A 32 3.398 5.304 -12.763 1.00 0.00 H new ATOM 0 HD1 TYR A 32 4.965 5.063 -15.051 1.00 0.00 H new ATOM 0 HD2 TYR A 32 5.052 2.501 -11.646 1.00 0.00 H new ATOM 0 HE1 TYR A 32 5.858 3.248 -16.441 1.00 0.00 H new ATOM 0 HE2 TYR A 32 5.950 0.685 -13.037 1.00 0.00 H new ATOM 0 HH TYR A 32 6.603 0.045 -15.046 1.00 0.00 H new ATOM 485 N ASN A 33 3.766 8.183 -12.265 1.00 0.00 N ATOM 486 CA ASN A 33 3.041 9.280 -11.629 1.00 0.00 C ATOM 487 C ASN A 33 1.600 9.344 -12.125 1.00 0.00 C ATOM 488 O ASN A 33 1.077 10.421 -12.409 1.00 0.00 O ATOM 489 CB ASN A 33 3.748 10.609 -11.905 1.00 0.00 C ATOM 490 CG ASN A 33 5.172 10.627 -11.384 1.00 0.00 C ATOM 491 OD1 ASN A 33 6.002 9.812 -11.784 1.00 0.00 O ATOM 492 ND2 ASN A 33 5.460 11.560 -10.484 1.00 0.00 N ATOM 0 H ASN A 33 3.598 8.090 -13.267 1.00 0.00 H new ATOM 0 HA ASN A 33 3.025 9.098 -10.554 1.00 0.00 H new ATOM 0 HB2 ASN A 33 3.755 10.797 -12.979 1.00 0.00 H new ATOM 0 HB3 ASN A 33 3.185 11.420 -11.443 1.00 0.00 H new ATOM 0 HD21 ASN A 33 6.401 11.621 -10.096 1.00 0.00 H new ATOM 0 HD22 ASN A 33 4.740 12.216 -10.181 1.00 0.00 H new ATOM 499 N ILE A 34 0.963 8.181 -12.227 1.00 0.00 N ATOM 500 CA ILE A 34 -0.417 8.104 -12.690 1.00 0.00 C ATOM 501 C ILE A 34 -1.391 7.974 -11.521 1.00 0.00 C ATOM 502 O ILE A 34 -2.592 8.182 -11.684 1.00 0.00 O ATOM 503 CB ILE A 34 -0.620 6.911 -13.641 1.00 0.00 C ATOM 504 CG1 ILE A 34 0.423 6.945 -14.759 1.00 0.00 C ATOM 505 CG2 ILE A 34 -2.028 6.926 -14.220 1.00 0.00 C ATOM 506 CD1 ILE A 34 0.263 5.832 -15.772 1.00 0.00 C ATOM 0 H ILE A 34 1.381 7.280 -11.995 1.00 0.00 H new ATOM 0 HA ILE A 34 -0.620 9.032 -13.225 1.00 0.00 H new ATOM 0 HB ILE A 34 -0.493 5.987 -13.076 1.00 0.00 H new ATOM 0 HG12 ILE A 34 0.361 7.904 -15.273 1.00 0.00 H new ATOM 0 HG13 ILE A 34 1.418 6.883 -14.318 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -2.155 6.076 -14.890 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -2.755 6.861 -13.410 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -2.184 7.851 -14.774 1.00 0.00 H new ATOM 0 HD11 ILE A 34 1.037 5.920 -16.535 1.00 0.00 H new ATOM 0 HD12 ILE A 34 0.355 4.868 -15.271 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -0.718 5.905 -16.241 1.00 0.00 H new ATOM 518 N GLU A 35 -0.866 7.619 -10.347 1.00 0.00 N ATOM 519 CA GLU A 35 -1.681 7.448 -9.144 1.00 0.00 C ATOM 520 C GLU A 35 -2.428 6.118 -9.174 1.00 0.00 C ATOM 521 O GLU A 35 -2.312 5.311 -8.252 1.00 0.00 O ATOM 522 CB GLU A 35 -2.675 8.604 -8.979 1.00 0.00 C ATOM 523 CG GLU A 35 -2.016 9.974 -8.967 1.00 0.00 C ATOM 524 CD GLU A 35 -3.018 11.101 -8.802 1.00 0.00 C ATOM 525 OE1 GLU A 35 -3.912 11.231 -9.664 1.00 0.00 O ATOM 526 OE2 GLU A 35 -2.906 11.853 -7.811 1.00 0.00 O ATOM 0 H GLU A 35 0.129 7.443 -10.204 1.00 0.00 H new ATOM 0 HA GLU A 35 -1.005 7.449 -8.289 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -3.402 8.566 -9.791 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -3.228 8.467 -8.050 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -1.290 10.017 -8.155 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -1.464 10.116 -9.896 1.00 0.00 H new ATOM 533 N LYS A 36 -3.186 5.891 -10.242 1.00 0.00 N ATOM 534 CA LYS A 36 -3.942 4.654 -10.393 1.00 0.00 C ATOM 535 C LYS A 36 -3.011 3.510 -10.771 1.00 0.00 C ATOM 536 O LYS A 36 -3.019 2.455 -10.136 1.00 0.00 O ATOM 537 CB LYS A 36 -5.035 4.812 -11.454 1.00 0.00 C ATOM 538 CG LYS A 36 -6.156 5.763 -11.056 1.00 0.00 C ATOM 539 CD LYS A 36 -5.649 7.179 -10.827 1.00 0.00 C ATOM 540 CE LYS A 36 -6.793 8.143 -10.559 1.00 0.00 C ATOM 541 NZ LYS A 36 -7.750 8.200 -11.699 1.00 0.00 N ATOM 0 H LYS A 36 -3.293 6.548 -11.015 1.00 0.00 H new ATOM 0 HA LYS A 36 -4.417 4.426 -9.439 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -4.580 5.170 -12.378 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -5.463 3.833 -11.668 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -6.917 5.772 -11.836 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -6.635 5.398 -10.147 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -4.959 7.188 -9.983 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -5.088 7.512 -11.701 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -7.322 7.837 -9.656 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -6.392 9.139 -10.371 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -8.339 9.053 -11.615 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -7.222 8.231 -12.594 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -8.358 7.356 -11.684 1.00 0.00 H new ATOM 555 N ASP A 37 -2.196 3.731 -11.799 1.00 0.00 N ATOM 556 CA ASP A 37 -1.245 2.722 -12.245 1.00 0.00 C ATOM 557 C ASP A 37 -0.345 2.302 -11.088 1.00 0.00 C ATOM 558 O ASP A 37 0.143 1.173 -11.040 1.00 0.00 O ATOM 559 CB ASP A 37 -0.399 3.258 -13.402 1.00 0.00 C ATOM 560 CG ASP A 37 0.591 2.232 -13.919 1.00 0.00 C ATOM 561 OD1 ASP A 37 0.148 1.154 -14.369 1.00 0.00 O ATOM 562 OD2 ASP A 37 1.809 2.508 -13.876 1.00 0.00 O ATOM 0 H ASP A 37 -2.176 4.598 -12.336 1.00 0.00 H new ATOM 0 HA ASP A 37 -1.801 1.852 -12.595 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -1.055 3.567 -14.215 1.00 0.00 H new ATOM 0 HB3 ASP A 37 0.141 4.146 -13.073 1.00 0.00 H new ATOM 567 N ILE A 38 -0.144 3.224 -10.149 1.00 0.00 N ATOM 568 CA ILE A 38 0.680 2.958 -8.980 1.00 0.00 C ATOM 569 C ILE A 38 0.082 1.827 -8.155 1.00 0.00 C ATOM 570 O ILE A 38 0.725 0.803 -7.919 1.00 0.00 O ATOM 571 CB ILE A 38 0.812 4.212 -8.093 1.00 0.00 C ATOM 572 CG1 ILE A 38 1.324 5.396 -8.915 1.00 0.00 C ATOM 573 CG2 ILE A 38 1.738 3.939 -6.913 1.00 0.00 C ATOM 574 CD1 ILE A 38 2.672 5.148 -9.554 1.00 0.00 C ATOM 0 H ILE A 38 -0.543 4.162 -10.178 1.00 0.00 H new ATOM 0 HA ILE A 38 1.670 2.671 -9.335 1.00 0.00 H new ATOM 0 HB ILE A 38 -0.174 4.464 -7.703 1.00 0.00 H new ATOM 0 HG12 ILE A 38 0.598 5.628 -9.695 1.00 0.00 H new ATOM 0 HG13 ILE A 38 1.392 6.273 -8.271 1.00 0.00 H new ATOM 0 HG21 ILE A 38 1.819 4.836 -6.299 1.00 0.00 H new ATOM 0 HG22 ILE A 38 1.333 3.124 -6.314 1.00 0.00 H new ATOM 0 HG23 ILE A 38 2.726 3.662 -7.282 1.00 0.00 H new ATOM 0 HD11 ILE A 38 2.973 6.029 -10.121 1.00 0.00 H new ATOM 0 HD12 ILE A 38 3.411 4.946 -8.778 1.00 0.00 H new ATOM 0 HD13 ILE A 38 2.605 4.291 -10.224 1.00 0.00 H new ATOM 586 N ALA A 39 -1.162 2.017 -7.725 1.00 0.00 N ATOM 587 CA ALA A 39 -1.855 1.010 -6.933 1.00 0.00 C ATOM 588 C ALA A 39 -1.936 -0.313 -7.685 1.00 0.00 C ATOM 589 O ALA A 39 -2.054 -1.377 -7.078 1.00 0.00 O ATOM 590 CB ALA A 39 -3.248 1.495 -6.559 1.00 0.00 C ATOM 0 H ALA A 39 -1.709 2.858 -7.912 1.00 0.00 H new ATOM 0 HA ALA A 39 -1.285 0.846 -6.018 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -3.753 0.731 -5.967 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -3.169 2.412 -5.976 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -3.821 1.689 -7.466 1.00 0.00 H new ATOM 596 N ALA A 40 -1.866 -0.238 -9.010 1.00 0.00 N ATOM 597 CA ALA A 40 -1.926 -1.430 -9.845 1.00 0.00 C ATOM 598 C ALA A 40 -0.595 -2.162 -9.846 1.00 0.00 C ATOM 599 O ALA A 40 -0.556 -3.383 -9.758 1.00 0.00 O ATOM 600 CB ALA A 40 -2.334 -1.064 -11.264 1.00 0.00 C ATOM 0 H ALA A 40 -1.768 0.636 -9.527 1.00 0.00 H new ATOM 0 HA ALA A 40 -2.679 -2.099 -9.427 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -2.374 -1.966 -11.875 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -3.316 -0.591 -11.250 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -1.605 -0.372 -11.685 1.00 0.00 H new ATOM 606 N TYR A 41 0.491 -1.413 -9.941 1.00 0.00 N ATOM 607 CA TYR A 41 1.820 -2.012 -9.946 1.00 0.00 C ATOM 608 C TYR A 41 2.160 -2.593 -8.579 1.00 0.00 C ATOM 609 O TYR A 41 3.005 -3.482 -8.464 1.00 0.00 O ATOM 610 CB TYR A 41 2.872 -0.982 -10.360 1.00 0.00 C ATOM 611 CG TYR A 41 4.279 -1.533 -10.402 1.00 0.00 C ATOM 612 CD1 TYR A 41 4.607 -2.588 -11.244 1.00 0.00 C ATOM 613 CD2 TYR A 41 5.280 -0.998 -9.600 1.00 0.00 C ATOM 614 CE1 TYR A 41 5.893 -3.096 -11.283 1.00 0.00 C ATOM 615 CE2 TYR A 41 6.567 -1.499 -9.635 1.00 0.00 C ATOM 616 CZ TYR A 41 6.868 -2.547 -10.478 1.00 0.00 C ATOM 617 OH TYR A 41 8.149 -3.050 -10.516 1.00 0.00 O ATOM 0 H TYR A 41 0.482 -0.396 -10.015 1.00 0.00 H new ATOM 0 HA TYR A 41 1.821 -2.824 -10.673 1.00 0.00 H new ATOM 0 HB2 TYR A 41 2.616 -0.589 -11.344 1.00 0.00 H new ATOM 0 HB3 TYR A 41 2.840 -0.144 -9.664 1.00 0.00 H new ATOM 0 HD1 TYR A 41 3.846 -3.018 -11.878 1.00 0.00 H new ATOM 0 HD2 TYR A 41 5.048 -0.177 -8.938 1.00 0.00 H new ATOM 0 HE1 TYR A 41 6.132 -3.919 -11.941 1.00 0.00 H new ATOM 0 HE2 TYR A 41 7.333 -1.072 -9.005 1.00 0.00 H new ATOM 0 HH TYR A 41 8.715 -2.552 -9.890 1.00 0.00 H new ATOM 627 N ILE A 42 1.484 -2.104 -7.545 1.00 0.00 N ATOM 628 CA ILE A 42 1.706 -2.595 -6.195 1.00 0.00 C ATOM 629 C ILE A 42 0.923 -3.881 -5.989 1.00 0.00 C ATOM 630 O ILE A 42 1.470 -4.898 -5.557 1.00 0.00 O ATOM 631 CB ILE A 42 1.288 -1.553 -5.137 1.00 0.00 C ATOM 632 CG1 ILE A 42 2.112 -0.272 -5.299 1.00 0.00 C ATOM 633 CG2 ILE A 42 1.452 -2.117 -3.729 1.00 0.00 C ATOM 634 CD1 ILE A 42 1.659 0.856 -4.400 1.00 0.00 C ATOM 0 H ILE A 42 0.780 -1.370 -7.618 1.00 0.00 H new ATOM 0 HA ILE A 42 2.772 -2.785 -6.073 1.00 0.00 H new ATOM 0 HB ILE A 42 0.235 -1.313 -5.288 1.00 0.00 H new ATOM 0 HG12 ILE A 42 3.158 -0.494 -5.090 1.00 0.00 H new ATOM 0 HG13 ILE A 42 2.057 0.057 -6.337 1.00 0.00 H new ATOM 0 HG21 ILE A 42 1.152 -1.366 -2.999 1.00 0.00 H new ATOM 0 HG22 ILE A 42 0.827 -3.003 -3.617 1.00 0.00 H new ATOM 0 HG23 ILE A 42 2.495 -2.386 -3.564 1.00 0.00 H new ATOM 0 HD11 ILE A 42 2.287 1.731 -4.569 1.00 0.00 H new ATOM 0 HD12 ILE A 42 0.622 1.106 -4.624 1.00 0.00 H new ATOM 0 HD13 ILE A 42 1.741 0.546 -3.358 1.00 0.00 H new ATOM 646 N LYS A 43 -0.360 -3.835 -6.330 1.00 0.00 N ATOM 647 CA LYS A 43 -1.215 -5.000 -6.209 1.00 0.00 C ATOM 648 C LYS A 43 -0.758 -6.074 -7.185 1.00 0.00 C ATOM 649 O LYS A 43 -0.766 -7.260 -6.864 1.00 0.00 O ATOM 650 CB LYS A 43 -2.670 -4.635 -6.492 1.00 0.00 C ATOM 651 CG LYS A 43 -2.912 -4.198 -7.926 1.00 0.00 C ATOM 652 CD LYS A 43 -4.372 -3.858 -8.171 1.00 0.00 C ATOM 653 CE LYS A 43 -4.831 -2.725 -7.272 1.00 0.00 C ATOM 654 NZ LYS A 43 -6.256 -2.367 -7.510 1.00 0.00 N ATOM 0 H LYS A 43 -0.826 -3.003 -6.691 1.00 0.00 H new ATOM 0 HA LYS A 43 -1.144 -5.377 -5.189 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -3.303 -5.494 -6.270 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -2.974 -3.833 -5.819 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -2.293 -3.329 -8.151 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -2.604 -4.993 -8.605 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -4.512 -3.577 -9.215 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -4.988 -4.739 -7.993 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -4.699 -3.013 -6.229 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -4.204 -1.850 -7.443 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -6.529 -1.589 -6.876 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -6.378 -2.067 -8.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -6.858 -3.194 -7.322 1.00 0.00 H new ATOM 668 N LYS A 44 -0.351 -5.649 -8.382 1.00 0.00 N ATOM 669 CA LYS A 44 0.111 -6.597 -9.391 1.00 0.00 C ATOM 670 C LYS A 44 1.394 -7.284 -8.941 1.00 0.00 C ATOM 671 O LYS A 44 1.527 -8.503 -9.052 1.00 0.00 O ATOM 672 CB LYS A 44 0.327 -5.911 -10.743 1.00 0.00 C ATOM 673 CG LYS A 44 -0.879 -5.986 -11.671 1.00 0.00 C ATOM 674 CD LYS A 44 -2.157 -5.526 -10.987 1.00 0.00 C ATOM 675 CE LYS A 44 -3.356 -5.646 -11.915 1.00 0.00 C ATOM 676 NZ LYS A 44 -3.193 -4.823 -13.144 1.00 0.00 N ATOM 0 H LYS A 44 -0.332 -4.671 -8.671 1.00 0.00 H new ATOM 0 HA LYS A 44 -0.667 -7.351 -9.512 1.00 0.00 H new ATOM 0 HB2 LYS A 44 0.578 -4.864 -10.573 1.00 0.00 H new ATOM 0 HB3 LYS A 44 1.184 -6.367 -11.239 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -0.697 -5.369 -12.551 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -1.004 -7.011 -12.020 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -2.327 -6.123 -10.091 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -2.047 -4.491 -10.664 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -3.496 -6.690 -12.194 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -4.257 -5.334 -11.386 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -4.105 -4.754 -13.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -2.868 -3.870 -12.883 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -2.492 -5.268 -13.770 1.00 0.00 H new ATOM 690 N GLU A 45 2.340 -6.502 -8.429 1.00 0.00 N ATOM 691 CA GLU A 45 3.610 -7.047 -7.964 1.00 0.00 C ATOM 692 C GLU A 45 3.384 -8.141 -6.923 1.00 0.00 C ATOM 693 O GLU A 45 4.017 -9.196 -6.971 1.00 0.00 O ATOM 694 CB GLU A 45 4.485 -5.941 -7.371 1.00 0.00 C ATOM 695 CG GLU A 45 5.848 -6.430 -6.909 1.00 0.00 C ATOM 696 CD GLU A 45 6.684 -5.332 -6.283 1.00 0.00 C ATOM 697 OE1 GLU A 45 6.254 -4.776 -5.250 1.00 0.00 O ATOM 698 OE2 GLU A 45 7.767 -5.027 -6.823 1.00 0.00 O ATOM 0 H GLU A 45 2.251 -5.491 -8.326 1.00 0.00 H new ATOM 0 HA GLU A 45 4.121 -7.482 -8.823 1.00 0.00 H new ATOM 0 HB2 GLU A 45 4.622 -5.158 -8.117 1.00 0.00 H new ATOM 0 HB3 GLU A 45 3.964 -5.490 -6.527 1.00 0.00 H new ATOM 0 HG2 GLU A 45 5.714 -7.235 -6.187 1.00 0.00 H new ATOM 0 HG3 GLU A 45 6.386 -6.850 -7.759 1.00 0.00 H new ATOM 705 N PHE A 46 2.479 -7.881 -5.985 1.00 0.00 N ATOM 706 CA PHE A 46 2.172 -8.845 -4.933 1.00 0.00 C ATOM 707 C PHE A 46 1.337 -10.006 -5.468 1.00 0.00 C ATOM 708 O PHE A 46 1.458 -11.136 -4.994 1.00 0.00 O ATOM 709 CB PHE A 46 1.438 -8.161 -3.778 1.00 0.00 C ATOM 710 CG PHE A 46 2.321 -7.282 -2.935 1.00 0.00 C ATOM 711 CD1 PHE A 46 3.068 -6.265 -3.506 1.00 0.00 C ATOM 712 CD2 PHE A 46 2.401 -7.476 -1.565 1.00 0.00 C ATOM 713 CE1 PHE A 46 3.878 -5.457 -2.729 1.00 0.00 C ATOM 714 CE2 PHE A 46 3.208 -6.673 -0.782 1.00 0.00 C ATOM 715 CZ PHE A 46 3.947 -5.662 -1.364 1.00 0.00 C ATOM 0 H PHE A 46 1.946 -7.013 -5.931 1.00 0.00 H new ATOM 0 HA PHE A 46 3.117 -9.247 -4.567 1.00 0.00 H new ATOM 0 HB2 PHE A 46 0.623 -7.561 -4.182 1.00 0.00 H new ATOM 0 HB3 PHE A 46 0.988 -8.924 -3.143 1.00 0.00 H new ATOM 0 HD1 PHE A 46 3.017 -6.101 -4.572 1.00 0.00 H new ATOM 0 HD2 PHE A 46 1.825 -8.265 -1.104 1.00 0.00 H new ATOM 0 HE1 PHE A 46 4.455 -4.668 -3.188 1.00 0.00 H new ATOM 0 HE2 PHE A 46 3.261 -6.836 0.284 1.00 0.00 H new ATOM 0 HZ PHE A 46 4.578 -5.033 -0.754 1.00 0.00 H new ATOM 725 N ASP A 47 0.488 -9.727 -6.453 1.00 0.00 N ATOM 726 CA ASP A 47 -0.362 -10.760 -7.039 1.00 0.00 C ATOM 727 C ASP A 47 0.441 -11.693 -7.942 1.00 0.00 C ATOM 728 O ASP A 47 0.074 -12.852 -8.133 1.00 0.00 O ATOM 729 CB ASP A 47 -1.507 -10.126 -7.833 1.00 0.00 C ATOM 730 CG ASP A 47 -2.462 -9.341 -6.953 1.00 0.00 C ATOM 731 OD1 ASP A 47 -2.228 -9.280 -5.729 1.00 0.00 O ATOM 732 OD2 ASP A 47 -3.443 -8.787 -7.492 1.00 0.00 O ATOM 0 H ASP A 47 0.370 -8.800 -6.861 1.00 0.00 H new ATOM 0 HA ASP A 47 -0.777 -11.349 -6.221 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -1.094 -9.465 -8.595 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -2.059 -10.908 -8.355 1.00 0.00 H new ATOM 737 N LYS A 48 1.536 -11.184 -8.498 1.00 0.00 N ATOM 738 CA LYS A 48 2.382 -11.978 -9.381 1.00 0.00 C ATOM 739 C LYS A 48 3.455 -12.735 -8.598 1.00 0.00 C ATOM 740 O LYS A 48 4.072 -13.663 -9.121 1.00 0.00 O ATOM 741 CB LYS A 48 3.042 -11.083 -10.432 1.00 0.00 C ATOM 742 CG LYS A 48 2.052 -10.424 -11.379 1.00 0.00 C ATOM 743 CD LYS A 48 2.755 -9.520 -12.379 1.00 0.00 C ATOM 744 CE LYS A 48 3.742 -10.295 -13.236 1.00 0.00 C ATOM 745 NZ LYS A 48 4.427 -9.418 -14.226 1.00 0.00 N ATOM 0 H LYS A 48 1.858 -10.227 -8.353 1.00 0.00 H new ATOM 0 HA LYS A 48 1.745 -12.709 -9.878 1.00 0.00 H new ATOM 0 HB2 LYS A 48 3.619 -10.309 -9.927 1.00 0.00 H new ATOM 0 HB3 LYS A 48 3.747 -11.678 -11.013 1.00 0.00 H new ATOM 0 HG2 LYS A 48 1.491 -11.191 -11.912 1.00 0.00 H new ATOM 0 HG3 LYS A 48 1.330 -9.842 -10.806 1.00 0.00 H new ATOM 0 HD2 LYS A 48 2.015 -9.040 -13.019 1.00 0.00 H new ATOM 0 HD3 LYS A 48 3.279 -8.726 -11.847 1.00 0.00 H new ATOM 0 HE2 LYS A 48 4.486 -10.768 -12.595 1.00 0.00 H new ATOM 0 HE3 LYS A 48 3.218 -11.094 -13.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 5.092 -9.985 -14.791 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 3.720 -8.986 -14.854 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 4.948 -8.670 -13.725 1.00 0.00 H new ATOM 759 N LYS A 49 3.677 -12.337 -7.349 1.00 0.00 N ATOM 760 CA LYS A 49 4.683 -12.986 -6.512 1.00 0.00 C ATOM 761 C LYS A 49 4.036 -13.754 -5.361 1.00 0.00 C ATOM 762 O LYS A 49 4.603 -14.724 -4.860 1.00 0.00 O ATOM 763 CB LYS A 49 5.663 -11.950 -5.961 1.00 0.00 C ATOM 764 CG LYS A 49 6.433 -11.207 -7.042 1.00 0.00 C ATOM 765 CD LYS A 49 7.410 -10.209 -6.444 1.00 0.00 C ATOM 766 CE LYS A 49 8.190 -9.478 -7.526 1.00 0.00 C ATOM 767 NZ LYS A 49 9.156 -8.502 -6.951 1.00 0.00 N ATOM 0 H LYS A 49 3.177 -11.572 -6.895 1.00 0.00 H new ATOM 0 HA LYS A 49 5.225 -13.698 -7.134 1.00 0.00 H new ATOM 0 HB2 LYS A 49 5.114 -11.228 -5.356 1.00 0.00 H new ATOM 0 HB3 LYS A 49 6.371 -12.448 -5.299 1.00 0.00 H new ATOM 0 HG2 LYS A 49 6.975 -11.922 -7.661 1.00 0.00 H new ATOM 0 HG3 LYS A 49 5.733 -10.686 -7.696 1.00 0.00 H new ATOM 0 HD2 LYS A 49 6.867 -9.487 -5.834 1.00 0.00 H new ATOM 0 HD3 LYS A 49 8.103 -10.728 -5.782 1.00 0.00 H new ATOM 0 HE2 LYS A 49 8.727 -10.202 -8.138 1.00 0.00 H new ATOM 0 HE3 LYS A 49 7.495 -8.956 -8.185 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 9.667 -8.025 -7.721 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 8.642 -7.796 -6.387 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 9.835 -9.003 -6.343 1.00 0.00 H new ATOM 781 N TYR A 50 2.852 -13.314 -4.945 1.00 0.00 N ATOM 782 CA TYR A 50 2.142 -13.968 -3.848 1.00 0.00 C ATOM 783 C TYR A 50 0.800 -14.539 -4.309 1.00 0.00 C ATOM 784 O TYR A 50 0.051 -15.098 -3.508 1.00 0.00 O ATOM 785 CB TYR A 50 1.919 -12.980 -2.701 1.00 0.00 C ATOM 786 CG TYR A 50 3.197 -12.367 -2.173 1.00 0.00 C ATOM 787 CD1 TYR A 50 4.203 -13.162 -1.638 1.00 0.00 C ATOM 788 CD2 TYR A 50 3.396 -10.993 -2.211 1.00 0.00 C ATOM 789 CE1 TYR A 50 5.371 -12.605 -1.156 1.00 0.00 C ATOM 790 CE2 TYR A 50 4.563 -10.427 -1.731 1.00 0.00 C ATOM 791 CZ TYR A 50 5.546 -11.237 -1.204 1.00 0.00 C ATOM 792 OH TYR A 50 6.709 -10.679 -0.725 1.00 0.00 O ATOM 0 H TYR A 50 2.366 -12.513 -5.347 1.00 0.00 H new ATOM 0 HA TYR A 50 2.760 -14.796 -3.500 1.00 0.00 H new ATOM 0 HB2 TYR A 50 1.258 -12.183 -3.042 1.00 0.00 H new ATOM 0 HB3 TYR A 50 1.408 -13.492 -1.886 1.00 0.00 H new ATOM 0 HD1 TYR A 50 4.069 -14.233 -1.598 1.00 0.00 H new ATOM 0 HD2 TYR A 50 2.627 -10.356 -2.622 1.00 0.00 H new ATOM 0 HE1 TYR A 50 6.144 -13.237 -0.744 1.00 0.00 H new ATOM 0 HE2 TYR A 50 4.703 -9.357 -1.769 1.00 0.00 H new ATOM 0 HH TYR A 50 6.674 -9.706 -0.833 1.00 0.00 H new ATOM 802 N ASN A 51 0.501 -14.401 -5.599 1.00 0.00 N ATOM 803 CA ASN A 51 -0.751 -14.909 -6.149 1.00 0.00 C ATOM 804 C ASN A 51 -1.952 -14.226 -5.498 1.00 0.00 C ATOM 805 O ASN A 51 -1.872 -13.766 -4.359 1.00 0.00 O ATOM 806 CB ASN A 51 -0.843 -16.424 -5.950 1.00 0.00 C ATOM 807 CG ASN A 51 0.291 -17.166 -6.628 1.00 0.00 C ATOM 808 OD1 ASN A 51 1.463 -16.946 -6.322 1.00 0.00 O ATOM 809 ND2 ASN A 51 -0.053 -18.052 -7.556 1.00 0.00 N ATOM 0 H ASN A 51 1.107 -13.943 -6.280 1.00 0.00 H new ATOM 0 HA ASN A 51 -0.764 -14.687 -7.216 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -0.834 -16.649 -4.883 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -1.794 -16.782 -6.343 1.00 0.00 H new ATOM 0 HD21 ASN A 51 0.667 -18.582 -8.047 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -1.037 -18.202 -7.778 1.00 0.00 H new ATOM 816 N PRO A 52 -3.087 -14.152 -6.215 1.00 0.00 N ATOM 817 CA PRO A 52 -4.308 -13.522 -5.701 1.00 0.00 C ATOM 818 C PRO A 52 -4.751 -14.126 -4.369 1.00 0.00 C ATOM 819 O PRO A 52 -4.202 -15.142 -3.938 1.00 0.00 O ATOM 820 CB PRO A 52 -5.347 -13.807 -6.790 1.00 0.00 C ATOM 821 CG PRO A 52 -4.552 -14.036 -8.028 1.00 0.00 C ATOM 822 CD PRO A 52 -3.268 -14.675 -7.581 1.00 0.00 C ATOM 0 HA PRO A 52 -4.165 -12.460 -5.502 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -5.951 -14.680 -6.541 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -6.033 -12.969 -6.911 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -5.089 -14.682 -8.723 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -4.361 -13.098 -8.548 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -3.336 -15.763 -7.590 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -2.436 -14.402 -8.230 1.00 0.00 H new ATOM 830 N THR A 53 -5.743 -13.514 -3.706 1.00 0.00 N ATOM 831 CA THR A 53 -6.409 -12.305 -4.201 1.00 0.00 C ATOM 832 C THR A 53 -6.192 -11.149 -3.234 1.00 0.00 C ATOM 833 O THR A 53 -6.575 -11.226 -2.066 1.00 0.00 O ATOM 834 CB THR A 53 -7.907 -12.563 -4.378 1.00 0.00 C ATOM 835 OG1 THR A 53 -8.128 -13.624 -5.291 1.00 0.00 O ATOM 836 CG2 THR A 53 -8.668 -11.357 -4.884 1.00 0.00 C ATOM 0 H THR A 53 -6.105 -13.845 -2.812 1.00 0.00 H new ATOM 0 HA THR A 53 -5.978 -12.041 -5.167 1.00 0.00 H new ATOM 0 HB THR A 53 -8.276 -12.813 -3.383 1.00 0.00 H new ATOM 0 HG1 THR A 53 -9.091 -13.775 -5.390 1.00 0.00 H new ATOM 0 HG21 THR A 53 -9.723 -11.610 -4.987 1.00 0.00 H new ATOM 0 HG22 THR A 53 -8.559 -10.535 -4.177 1.00 0.00 H new ATOM 0 HG23 THR A 53 -8.271 -11.057 -5.854 1.00 0.00 H new ATOM 844 N TRP A 54 -5.568 -10.080 -3.719 1.00 0.00 N ATOM 845 CA TRP A 54 -5.293 -8.919 -2.882 1.00 0.00 C ATOM 846 C TRP A 54 -6.174 -7.732 -3.261 1.00 0.00 C ATOM 847 O TRP A 54 -7.087 -7.850 -4.079 1.00 0.00 O ATOM 848 CB TRP A 54 -3.819 -8.511 -3.001 1.00 0.00 C ATOM 849 CG TRP A 54 -2.851 -9.618 -2.715 1.00 0.00 C ATOM 850 CD1 TRP A 54 -2.648 -10.748 -3.456 1.00 0.00 C ATOM 851 CD2 TRP A 54 -1.956 -9.702 -1.601 1.00 0.00 C ATOM 852 NE1 TRP A 54 -1.675 -11.524 -2.872 1.00 0.00 N ATOM 853 CE2 TRP A 54 -1.237 -10.904 -1.730 1.00 0.00 C ATOM 854 CE3 TRP A 54 -1.695 -8.874 -0.506 1.00 0.00 C ATOM 855 CZ2 TRP A 54 -0.274 -11.299 -0.805 1.00 0.00 C ATOM 856 CZ3 TRP A 54 -0.741 -9.266 0.413 1.00 0.00 C ATOM 857 CH2 TRP A 54 -0.039 -10.469 0.259 1.00 0.00 C ATOM 0 H TRP A 54 -5.245 -9.994 -4.683 1.00 0.00 H new ATOM 0 HA TRP A 54 -5.516 -9.202 -1.853 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -3.638 -8.136 -4.008 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -3.625 -7.687 -2.314 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -3.174 -10.995 -4.366 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -1.334 -12.416 -3.230 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -2.230 -7.944 -0.380 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 0.268 -12.226 -0.922 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -0.533 -8.635 1.264 1.00 0.00 H new ATOM 0 HH2 TRP A 54 0.702 -10.747 0.994 1.00 0.00 H new ATOM 868 N HIS A 55 -5.877 -6.586 -2.655 1.00 0.00 N ATOM 869 CA HIS A 55 -6.613 -5.354 -2.906 1.00 0.00 C ATOM 870 C HIS A 55 -5.913 -4.183 -2.225 1.00 0.00 C ATOM 871 O HIS A 55 -5.810 -4.141 -1.001 1.00 0.00 O ATOM 872 CB HIS A 55 -8.051 -5.478 -2.396 1.00 0.00 C ATOM 873 CG HIS A 55 -8.880 -4.256 -2.641 1.00 0.00 C ATOM 874 ND1 HIS A 55 -10.200 -4.152 -2.252 1.00 0.00 N ATOM 875 CD2 HIS A 55 -8.574 -3.080 -3.239 1.00 0.00 C ATOM 876 CE1 HIS A 55 -10.669 -2.968 -2.601 1.00 0.00 C ATOM 877 NE2 HIS A 55 -9.702 -2.298 -3.201 1.00 0.00 N ATOM 0 H HIS A 55 -5.121 -6.487 -1.978 1.00 0.00 H new ATOM 0 HA HIS A 55 -6.641 -5.175 -3.981 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -8.526 -6.332 -2.878 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -8.032 -5.686 -1.326 1.00 0.00 H new ATOM 0 HD1 HIS A 55 -10.731 -4.877 -1.770 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -7.620 -2.808 -3.666 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -11.672 -2.609 -2.426 1.00 0.00 H new ATOM 886 N CYS A 56 -5.417 -3.242 -3.020 1.00 0.00 N ATOM 887 CA CYS A 56 -4.713 -2.085 -2.477 1.00 0.00 C ATOM 888 C CYS A 56 -5.603 -0.846 -2.472 1.00 0.00 C ATOM 889 O CYS A 56 -6.423 -0.652 -3.369 1.00 0.00 O ATOM 890 CB CYS A 56 -3.444 -1.813 -3.287 1.00 0.00 C ATOM 891 SG CYS A 56 -2.471 -0.410 -2.690 1.00 0.00 S ATOM 0 H CYS A 56 -5.488 -3.256 -4.037 1.00 0.00 H new ATOM 0 HA CYS A 56 -4.442 -2.311 -1.446 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -2.819 -2.706 -3.274 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -3.721 -1.633 -4.326 1.00 0.00 H new ATOM 0 HG CYS A 56 -1.418 -0.262 -3.438 1.00 0.00 H new ATOM 897 N ILE A 57 -5.425 -0.004 -1.457 1.00 0.00 N ATOM 898 CA ILE A 57 -6.201 1.223 -1.334 1.00 0.00 C ATOM 899 C ILE A 57 -5.315 2.439 -1.543 1.00 0.00 C ATOM 900 O ILE A 57 -4.156 2.449 -1.133 1.00 0.00 O ATOM 901 CB ILE A 57 -6.875 1.339 0.047 1.00 0.00 C ATOM 902 CG1 ILE A 57 -7.667 0.078 0.363 1.00 0.00 C ATOM 903 CG2 ILE A 57 -7.783 2.557 0.112 1.00 0.00 C ATOM 904 CD1 ILE A 57 -8.614 -0.342 -0.742 1.00 0.00 C ATOM 0 H ILE A 57 -4.749 -0.151 -0.708 1.00 0.00 H new ATOM 0 HA ILE A 57 -6.974 1.185 -2.102 1.00 0.00 H new ATOM 0 HB ILE A 57 -6.089 1.458 0.793 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -6.971 -0.737 0.561 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -8.239 0.239 1.277 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -8.245 2.614 1.097 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -7.196 3.458 -0.066 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -8.559 2.473 -0.649 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -9.142 -1.247 -0.444 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -9.335 0.455 -0.926 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -8.047 -0.536 -1.653 1.00 0.00 H new ATOM 916 N VAL A 58 -5.864 3.456 -2.187 1.00 0.00 N ATOM 917 CA VAL A 58 -5.123 4.675 -2.459 1.00 0.00 C ATOM 918 C VAL A 58 -5.907 5.917 -2.031 1.00 0.00 C ATOM 919 O VAL A 58 -6.195 6.796 -2.845 1.00 0.00 O ATOM 920 CB VAL A 58 -4.777 4.765 -3.955 1.00 0.00 C ATOM 921 CG1 VAL A 58 -6.024 5.004 -4.796 1.00 0.00 C ATOM 922 CG2 VAL A 58 -3.727 5.837 -4.202 1.00 0.00 C ATOM 0 H VAL A 58 -6.824 3.460 -2.532 1.00 0.00 H new ATOM 0 HA VAL A 58 -4.203 4.639 -1.876 1.00 0.00 H new ATOM 0 HB VAL A 58 -4.356 3.808 -4.262 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -5.747 5.063 -5.849 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -6.724 4.181 -4.650 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -6.494 5.939 -4.492 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -3.498 5.883 -5.267 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -4.108 6.803 -3.871 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -2.821 5.594 -3.646 1.00 0.00 H new ATOM 932 N GLY A 59 -6.247 5.987 -0.748 1.00 0.00 N ATOM 933 CA GLY A 59 -6.992 7.127 -0.246 1.00 0.00 C ATOM 934 C GLY A 59 -6.654 7.464 1.191 1.00 0.00 C ATOM 935 O GLY A 59 -5.562 7.950 1.481 1.00 0.00 O ATOM 0 H GLY A 59 -6.021 5.278 -0.050 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -6.788 7.994 -0.875 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -8.059 6.920 -0.324 1.00 0.00 H new ATOM 939 N ARG A 60 -7.599 7.213 2.092 1.00 0.00 N ATOM 940 CA ARG A 60 -7.398 7.502 3.507 1.00 0.00 C ATOM 941 C ARG A 60 -7.598 6.257 4.362 1.00 0.00 C ATOM 942 O ARG A 60 -6.663 5.771 4.998 1.00 0.00 O ATOM 943 CB ARG A 60 -8.354 8.605 3.962 1.00 0.00 C ATOM 944 CG ARG A 60 -8.149 9.925 3.234 1.00 0.00 C ATOM 945 CD ARG A 60 -6.745 10.467 3.450 1.00 0.00 C ATOM 946 NE ARG A 60 -6.535 11.735 2.756 1.00 0.00 N ATOM 947 CZ ARG A 60 -5.392 12.416 2.789 1.00 0.00 C ATOM 948 NH1 ARG A 60 -4.355 11.954 3.476 1.00 0.00 N ATOM 949 NH2 ARG A 60 -5.283 13.563 2.132 1.00 0.00 N ATOM 0 H ARG A 60 -8.509 6.811 1.868 1.00 0.00 H new ATOM 0 HA ARG A 60 -6.370 7.840 3.635 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -9.380 8.271 3.810 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -8.227 8.766 5.032 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -8.326 9.785 2.168 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -8.880 10.653 3.586 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -6.570 10.604 4.517 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -6.016 9.736 3.099 1.00 0.00 H new ATOM 0 HE ARG A 60 -7.309 12.121 2.215 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -4.431 11.072 3.983 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -3.482 12.481 3.497 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -6.076 13.924 1.601 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -4.407 14.084 2.158 1.00 0.00 H new ATOM 963 N ASN A 61 -8.825 5.752 4.382 1.00 0.00 N ATOM 964 CA ASN A 61 -9.146 4.570 5.174 1.00 0.00 C ATOM 965 C ASN A 61 -10.352 3.829 4.610 1.00 0.00 C ATOM 966 O ASN A 61 -11.022 3.091 5.334 1.00 0.00 O ATOM 967 CB ASN A 61 -9.450 4.979 6.621 1.00 0.00 C ATOM 968 CG ASN A 61 -10.832 5.618 6.807 1.00 0.00 C ATOM 969 OD1 ASN A 61 -11.551 5.887 5.709 1.00 0.00 O flip ATOM 970 ND2 ASN A 61 -11.246 5.883 7.936 1.00 0.00 N flip ATOM 0 H ASN A 61 -9.612 6.140 3.861 1.00 0.00 H new ATOM 0 HA ASN A 61 -8.282 3.907 5.140 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -9.378 4.099 7.260 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -8.687 5.681 6.958 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -10.675 5.666 8.753 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -12.160 6.320 8.055 1.00 0.00 H new ATOM 977 N PHE A 62 -10.663 4.052 3.339 1.00 0.00 N ATOM 978 CA PHE A 62 -11.829 3.421 2.745 1.00 0.00 C ATOM 979 C PHE A 62 -11.570 1.944 2.428 1.00 0.00 C ATOM 980 O PHE A 62 -12.308 1.329 1.661 1.00 0.00 O ATOM 981 CB PHE A 62 -12.265 4.177 1.481 1.00 0.00 C ATOM 982 CG PHE A 62 -11.353 3.999 0.297 1.00 0.00 C ATOM 983 CD1 PHE A 62 -11.403 2.842 -0.469 1.00 0.00 C ATOM 984 CD2 PHE A 62 -10.444 4.986 -0.051 1.00 0.00 C ATOM 985 CE1 PHE A 62 -10.567 2.676 -1.556 1.00 0.00 C ATOM 986 CE2 PHE A 62 -9.607 4.825 -1.139 1.00 0.00 C ATOM 987 CZ PHE A 62 -9.669 3.668 -1.892 1.00 0.00 C ATOM 0 H PHE A 62 -10.132 4.655 2.711 1.00 0.00 H new ATOM 0 HA PHE A 62 -12.637 3.465 3.475 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -13.266 3.848 1.204 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -12.332 5.240 1.714 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -12.104 2.062 -0.212 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -10.389 5.892 0.535 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -10.616 1.770 -2.142 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -8.905 5.603 -1.400 1.00 0.00 H new ATOM 0 HZ PHE A 62 -9.015 3.540 -2.742 1.00 0.00 H new ATOM 997 N GLY A 63 -10.524 1.378 3.030 1.00 0.00 N ATOM 998 CA GLY A 63 -10.193 -0.013 2.799 1.00 0.00 C ATOM 999 C GLY A 63 -10.917 -0.957 3.735 1.00 0.00 C ATOM 1000 O GLY A 63 -10.416 -2.040 4.041 1.00 0.00 O ATOM 0 H GLY A 63 -9.900 1.863 3.675 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -10.438 -0.273 1.769 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -9.118 -0.149 2.915 1.00 0.00 H new ATOM 1004 N SER A 64 -12.101 -0.557 4.184 1.00 0.00 N ATOM 1005 CA SER A 64 -12.901 -1.384 5.081 1.00 0.00 C ATOM 1006 C SER A 64 -13.476 -2.577 4.321 1.00 0.00 C ATOM 1007 O SER A 64 -14.691 -2.772 4.262 1.00 0.00 O ATOM 1008 CB SER A 64 -14.033 -0.560 5.700 1.00 0.00 C ATOM 1009 OG SER A 64 -14.889 -0.036 4.699 1.00 0.00 O ATOM 0 H SER A 64 -12.529 0.336 3.941 1.00 0.00 H new ATOM 0 HA SER A 64 -12.259 -1.750 5.882 1.00 0.00 H new ATOM 0 HB2 SER A 64 -14.608 -1.183 6.385 1.00 0.00 H new ATOM 0 HB3 SER A 64 -13.613 0.256 6.288 1.00 0.00 H new ATOM 0 HG SER A 64 -15.302 -0.773 4.203 1.00 0.00 H new ATOM 1015 N TYR A 65 -12.583 -3.364 3.733 1.00 0.00 N ATOM 1016 CA TYR A 65 -12.967 -4.536 2.959 1.00 0.00 C ATOM 1017 C TYR A 65 -11.921 -5.638 3.110 1.00 0.00 C ATOM 1018 O TYR A 65 -11.780 -6.510 2.257 1.00 0.00 O ATOM 1019 CB TYR A 65 -13.146 -4.124 1.486 1.00 0.00 C ATOM 1020 CG TYR A 65 -13.380 -5.263 0.517 1.00 0.00 C ATOM 1021 CD1 TYR A 65 -14.660 -5.745 0.280 1.00 0.00 C ATOM 1022 CD2 TYR A 65 -12.321 -5.854 -0.167 1.00 0.00 C ATOM 1023 CE1 TYR A 65 -14.880 -6.780 -0.609 1.00 0.00 C ATOM 1024 CE2 TYR A 65 -12.532 -6.887 -1.055 1.00 0.00 C ATOM 1025 CZ TYR A 65 -13.813 -7.348 -1.274 1.00 0.00 C ATOM 1026 OH TYR A 65 -14.029 -8.379 -2.159 1.00 0.00 O ATOM 0 H TYR A 65 -11.576 -3.208 3.779 1.00 0.00 H new ATOM 0 HA TYR A 65 -13.912 -4.934 3.329 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -13.987 -3.434 1.419 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -12.258 -3.576 1.169 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -15.498 -5.304 0.799 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -11.316 -5.497 0.001 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -15.882 -7.142 -0.782 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -11.698 -7.333 -1.577 1.00 0.00 H new ATOM 0 HH TYR A 65 -13.174 -8.665 -2.543 1.00 0.00 H new ATOM 1036 N VAL A 66 -11.189 -5.590 4.217 1.00 0.00 N ATOM 1037 CA VAL A 66 -10.149 -6.573 4.494 1.00 0.00 C ATOM 1038 C VAL A 66 -10.711 -7.813 5.175 1.00 0.00 C ATOM 1039 O VAL A 66 -10.515 -8.934 4.706 1.00 0.00 O ATOM 1040 CB VAL A 66 -9.036 -5.975 5.378 1.00 0.00 C ATOM 1041 CG1 VAL A 66 -7.907 -6.976 5.580 1.00 0.00 C ATOM 1042 CG2 VAL A 66 -8.512 -4.679 4.774 1.00 0.00 C ATOM 0 H VAL A 66 -11.297 -4.878 4.939 1.00 0.00 H new ATOM 0 HA VAL A 66 -9.730 -6.860 3.530 1.00 0.00 H new ATOM 0 HB VAL A 66 -9.461 -5.748 6.356 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -7.134 -6.531 6.207 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -8.297 -7.871 6.065 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -7.481 -7.244 4.613 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -7.727 -4.272 5.412 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -8.107 -4.878 3.782 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -9.326 -3.959 4.696 1.00 0.00 H new ATOM 1052 N THR A 67 -11.398 -7.609 6.290 1.00 0.00 N ATOM 1053 CA THR A 67 -11.978 -8.716 7.045 1.00 0.00 C ATOM 1054 C THR A 67 -12.798 -9.625 6.140 1.00 0.00 C ATOM 1055 O THR A 67 -12.844 -10.838 6.347 1.00 0.00 O ATOM 1056 CB THR A 67 -12.840 -8.192 8.194 1.00 0.00 C ATOM 1057 OG1 THR A 67 -12.068 -7.390 9.073 1.00 0.00 O ATOM 1058 CG2 THR A 67 -13.477 -9.290 9.017 1.00 0.00 C ATOM 0 H THR A 67 -11.569 -6.688 6.694 1.00 0.00 H new ATOM 0 HA THR A 67 -11.159 -9.301 7.463 1.00 0.00 H new ATOM 0 HB THR A 67 -13.632 -7.612 7.719 1.00 0.00 H new ATOM 0 HG1 THR A 67 -12.636 -7.062 9.801 1.00 0.00 H new ATOM 0 HG21 THR A 67 -14.074 -8.847 9.814 1.00 0.00 H new ATOM 0 HG22 THR A 67 -14.118 -9.898 8.379 1.00 0.00 H new ATOM 0 HG23 THR A 67 -12.699 -9.917 9.452 1.00 0.00 H new ATOM 1066 N HIS A 68 -13.424 -9.044 5.123 1.00 0.00 N ATOM 1067 CA HIS A 68 -14.212 -9.828 4.181 1.00 0.00 C ATOM 1068 C HIS A 68 -13.354 -10.949 3.599 1.00 0.00 C ATOM 1069 O HIS A 68 -13.864 -11.975 3.150 1.00 0.00 O ATOM 1070 CB HIS A 68 -14.757 -8.942 3.060 1.00 0.00 C ATOM 1071 CG HIS A 68 -15.674 -7.862 3.545 1.00 0.00 C ATOM 1072 ND1 HIS A 68 -16.317 -6.984 2.699 1.00 0.00 N ATOM 1073 CD2 HIS A 68 -16.054 -7.520 4.800 1.00 0.00 C ATOM 1074 CE1 HIS A 68 -17.051 -6.148 3.411 1.00 0.00 C ATOM 1075 NE2 HIS A 68 -16.910 -6.452 4.688 1.00 0.00 N ATOM 0 H HIS A 68 -13.402 -8.042 4.931 1.00 0.00 H new ATOM 0 HA HIS A 68 -15.059 -10.263 4.712 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -13.921 -8.487 2.529 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -15.290 -9.565 2.342 1.00 0.00 H new ATOM 0 HD1 HIS A 68 -16.238 -6.980 1.682 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -15.742 -7.998 5.717 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -17.663 -5.351 3.016 1.00 0.00 H new ATOM 1084 N GLU A 69 -12.038 -10.742 3.632 1.00 0.00 N ATOM 1085 CA GLU A 69 -11.087 -11.723 3.135 1.00 0.00 C ATOM 1086 C GLU A 69 -10.611 -12.619 4.273 1.00 0.00 C ATOM 1087 O GLU A 69 -11.045 -13.765 4.401 1.00 0.00 O ATOM 1088 CB GLU A 69 -9.892 -11.023 2.480 1.00 0.00 C ATOM 1089 CG GLU A 69 -10.173 -10.459 1.093 1.00 0.00 C ATOM 1090 CD GLU A 69 -11.207 -9.352 1.091 1.00 0.00 C ATOM 1091 OE1 GLU A 69 -12.376 -9.627 1.434 1.00 0.00 O ATOM 1092 OE2 GLU A 69 -10.850 -8.209 0.739 1.00 0.00 O ATOM 0 H GLU A 69 -11.608 -9.894 4.002 1.00 0.00 H new ATOM 0 HA GLU A 69 -11.584 -12.340 2.386 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -9.562 -10.211 3.129 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -9.066 -11.731 2.410 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -9.244 -10.079 0.669 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -10.514 -11.265 0.443 1.00 0.00 H new ATOM 1099 N THR A 70 -9.722 -12.084 5.103 1.00 0.00 N ATOM 1100 CA THR A 70 -9.189 -12.823 6.240 1.00 0.00 C ATOM 1101 C THR A 70 -8.522 -11.872 7.245 1.00 0.00 C ATOM 1102 O THR A 70 -9.214 -11.118 7.929 1.00 0.00 O ATOM 1103 CB THR A 70 -8.233 -13.917 5.752 1.00 0.00 C ATOM 1104 OG1 THR A 70 -7.523 -14.488 6.832 1.00 0.00 O ATOM 1105 CG2 THR A 70 -7.225 -13.435 4.732 1.00 0.00 C ATOM 0 H THR A 70 -9.355 -11.137 5.008 1.00 0.00 H new ATOM 0 HA THR A 70 -10.009 -13.312 6.766 1.00 0.00 H new ATOM 0 HB THR A 70 -8.874 -14.656 5.271 1.00 0.00 H new ATOM 0 HG1 THR A 70 -6.703 -14.908 6.499 1.00 0.00 H new ATOM 0 HG21 THR A 70 -6.584 -14.264 4.434 1.00 0.00 H new ATOM 0 HG22 THR A 70 -7.749 -13.049 3.857 1.00 0.00 H new ATOM 0 HG23 THR A 70 -6.616 -12.644 5.169 1.00 0.00 H new ATOM 1113 N LYS A 71 -7.192 -11.886 7.332 1.00 0.00 N ATOM 1114 CA LYS A 71 -6.486 -10.999 8.254 1.00 0.00 C ATOM 1115 C LYS A 71 -5.079 -10.702 7.752 1.00 0.00 C ATOM 1116 O LYS A 71 -4.152 -10.507 8.540 1.00 0.00 O ATOM 1117 CB LYS A 71 -6.426 -11.595 9.666 1.00 0.00 C ATOM 1118 CG LYS A 71 -5.461 -12.765 9.825 1.00 0.00 C ATOM 1119 CD LYS A 71 -5.940 -14.007 9.096 1.00 0.00 C ATOM 1120 CE LYS A 71 -7.297 -14.465 9.607 1.00 0.00 C ATOM 1121 NZ LYS A 71 -7.712 -15.763 9.003 1.00 0.00 N ATOM 0 H LYS A 71 -6.588 -12.495 6.781 1.00 0.00 H new ATOM 0 HA LYS A 71 -7.046 -10.065 8.301 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -6.141 -10.809 10.365 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -7.426 -11.925 9.949 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -4.480 -12.479 9.445 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -5.339 -12.992 10.884 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -6.003 -13.801 8.027 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -5.212 -14.809 9.224 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -7.261 -14.565 10.692 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -8.045 -13.705 9.382 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -8.700 -15.964 9.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -7.625 -15.708 7.968 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -7.101 -16.524 9.362 1.00 0.00 H new ATOM 1135 N HIS A 72 -4.927 -10.664 6.434 1.00 0.00 N ATOM 1136 CA HIS A 72 -3.636 -10.386 5.819 1.00 0.00 C ATOM 1137 C HIS A 72 -3.640 -9.005 5.173 1.00 0.00 C ATOM 1138 O HIS A 72 -3.671 -8.875 3.949 1.00 0.00 O ATOM 1139 CB HIS A 72 -3.296 -11.458 4.782 1.00 0.00 C ATOM 1140 CG HIS A 72 -3.187 -12.835 5.362 1.00 0.00 C ATOM 1141 ND1 HIS A 72 -2.870 -13.947 4.610 1.00 0.00 N ATOM 1142 CD2 HIS A 72 -3.354 -13.279 6.631 1.00 0.00 C ATOM 1143 CE1 HIS A 72 -2.848 -15.013 5.391 1.00 0.00 C ATOM 1144 NE2 HIS A 72 -3.139 -14.634 6.621 1.00 0.00 N ATOM 0 H HIS A 72 -5.684 -10.823 5.769 1.00 0.00 H new ATOM 0 HA HIS A 72 -2.873 -10.402 6.597 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -4.062 -11.458 4.006 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -2.354 -11.200 4.299 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -3.609 -12.678 7.491 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -2.629 -16.023 5.076 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -3.195 -15.249 7.433 1.00 0.00 H new ATOM 1153 N PHE A 73 -3.622 -7.978 6.013 1.00 0.00 N ATOM 1154 CA PHE A 73 -3.635 -6.594 5.545 1.00 0.00 C ATOM 1155 C PHE A 73 -2.263 -5.940 5.708 1.00 0.00 C ATOM 1156 O PHE A 73 -1.290 -6.596 6.071 1.00 0.00 O ATOM 1157 CB PHE A 73 -4.654 -5.785 6.344 1.00 0.00 C ATOM 1158 CG PHE A 73 -4.203 -5.541 7.755 1.00 0.00 C ATOM 1159 CD1 PHE A 73 -4.340 -6.517 8.727 1.00 0.00 C ATOM 1160 CD2 PHE A 73 -3.599 -4.345 8.091 1.00 0.00 C ATOM 1161 CE1 PHE A 73 -3.888 -6.297 10.015 1.00 0.00 C ATOM 1162 CE2 PHE A 73 -3.148 -4.116 9.373 1.00 0.00 C ATOM 1163 CZ PHE A 73 -3.291 -5.094 10.338 1.00 0.00 C ATOM 0 H PHE A 73 -3.598 -8.076 7.028 1.00 0.00 H new ATOM 0 HA PHE A 73 -3.901 -6.606 4.488 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -4.826 -4.829 5.849 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -5.607 -6.314 6.355 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -4.804 -7.459 8.477 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -3.479 -3.579 7.339 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -4.001 -7.064 10.767 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -2.684 -3.173 9.623 1.00 0.00 H new ATOM 0 HZ PHE A 73 -2.937 -4.918 11.343 1.00 0.00 H new ATOM 1173 N ILE A 74 -2.215 -4.629 5.461 1.00 0.00 N ATOM 1174 CA ILE A 74 -0.990 -3.841 5.592 1.00 0.00 C ATOM 1175 C ILE A 74 -1.147 -2.471 4.934 1.00 0.00 C ATOM 1176 O ILE A 74 -1.147 -2.364 3.709 1.00 0.00 O ATOM 1177 CB ILE A 74 0.229 -4.557 4.972 1.00 0.00 C ATOM 1178 CG1 ILE A 74 1.452 -3.636 4.981 1.00 0.00 C ATOM 1179 CG2 ILE A 74 -0.085 -5.022 3.558 1.00 0.00 C ATOM 1180 CD1 ILE A 74 2.682 -4.253 4.350 1.00 0.00 C ATOM 0 H ILE A 74 -3.025 -4.085 5.165 1.00 0.00 H new ATOM 0 HA ILE A 74 -0.815 -3.718 6.661 1.00 0.00 H new ATOM 0 HB ILE A 74 0.457 -5.435 5.576 1.00 0.00 H new ATOM 0 HG12 ILE A 74 1.206 -2.715 4.452 1.00 0.00 H new ATOM 0 HG13 ILE A 74 1.681 -3.361 6.011 1.00 0.00 H new ATOM 0 HG21 ILE A 74 0.787 -5.524 3.138 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -0.927 -5.714 3.581 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -0.340 -4.161 2.940 1.00 0.00 H new ATOM 0 HD11 ILE A 74 3.508 -3.543 4.393 1.00 0.00 H new ATOM 0 HD12 ILE A 74 2.954 -5.159 4.892 1.00 0.00 H new ATOM 0 HD13 ILE A 74 2.471 -4.502 3.310 1.00 0.00 H new ATOM 1192 N TYR A 75 -1.253 -1.420 5.748 1.00 0.00 N ATOM 1193 CA TYR A 75 -1.382 -0.063 5.216 1.00 0.00 C ATOM 1194 C TYR A 75 -0.230 0.826 5.662 1.00 0.00 C ATOM 1195 O TYR A 75 0.504 0.498 6.596 1.00 0.00 O ATOM 1196 CB TYR A 75 -2.718 0.596 5.589 1.00 0.00 C ATOM 1197 CG TYR A 75 -3.234 0.321 6.981 1.00 0.00 C ATOM 1198 CD1 TYR A 75 -3.612 -0.955 7.372 1.00 0.00 C ATOM 1199 CD2 TYR A 75 -3.381 1.358 7.893 1.00 0.00 C ATOM 1200 CE1 TYR A 75 -4.120 -1.189 8.636 1.00 0.00 C ATOM 1201 CE2 TYR A 75 -3.882 1.131 9.158 1.00 0.00 C ATOM 1202 CZ TYR A 75 -4.251 -0.144 9.524 1.00 0.00 C ATOM 1203 OH TYR A 75 -4.756 -0.376 10.783 1.00 0.00 O ATOM 0 H TYR A 75 -1.252 -1.480 6.766 1.00 0.00 H new ATOM 0 HA TYR A 75 -1.352 -0.167 4.131 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -2.613 1.674 5.470 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -3.472 0.269 4.874 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -3.508 -1.777 6.679 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -3.098 2.360 7.607 1.00 0.00 H new ATOM 0 HE1 TYR A 75 -4.413 -2.187 8.926 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -3.984 1.948 9.857 1.00 0.00 H new ATOM 0 HH TYR A 75 -4.130 -0.935 11.289 1.00 0.00 H new ATOM 1213 N PHE A 76 -0.077 1.951 4.972 1.00 0.00 N ATOM 1214 CA PHE A 76 0.988 2.898 5.270 1.00 0.00 C ATOM 1215 C PHE A 76 0.607 4.303 4.809 1.00 0.00 C ATOM 1216 O PHE A 76 -0.307 4.471 4.002 1.00 0.00 O ATOM 1217 CB PHE A 76 2.284 2.442 4.597 1.00 0.00 C ATOM 1218 CG PHE A 76 2.198 2.361 3.096 1.00 0.00 C ATOM 1219 CD1 PHE A 76 2.054 3.506 2.330 1.00 0.00 C ATOM 1220 CD2 PHE A 76 2.262 1.134 2.455 1.00 0.00 C ATOM 1221 CE1 PHE A 76 1.976 3.429 0.952 1.00 0.00 C ATOM 1222 CE2 PHE A 76 2.185 1.050 1.079 1.00 0.00 C ATOM 1223 CZ PHE A 76 2.042 2.198 0.326 1.00 0.00 C ATOM 0 H PHE A 76 -0.681 2.229 4.199 1.00 0.00 H new ATOM 0 HA PHE A 76 1.141 2.930 6.349 1.00 0.00 H new ATOM 0 HB2 PHE A 76 3.084 3.131 4.868 1.00 0.00 H new ATOM 0 HB3 PHE A 76 2.560 1.463 4.988 1.00 0.00 H new ATOM 0 HD1 PHE A 76 2.002 4.470 2.815 1.00 0.00 H new ATOM 0 HD2 PHE A 76 2.373 0.232 3.039 1.00 0.00 H new ATOM 0 HE1 PHE A 76 1.864 4.329 0.365 1.00 0.00 H new ATOM 0 HE2 PHE A 76 2.237 0.087 0.592 1.00 0.00 H new ATOM 0 HZ PHE A 76 1.982 2.135 -0.750 1.00 0.00 H new ATOM 1233 N TYR A 77 1.306 5.310 5.327 1.00 0.00 N ATOM 1234 CA TYR A 77 1.029 6.695 4.962 1.00 0.00 C ATOM 1235 C TYR A 77 2.247 7.345 4.315 1.00 0.00 C ATOM 1236 O TYR A 77 3.364 7.229 4.817 1.00 0.00 O ATOM 1237 CB TYR A 77 0.611 7.495 6.196 1.00 0.00 C ATOM 1238 CG TYR A 77 0.264 8.937 5.897 1.00 0.00 C ATOM 1239 CD1 TYR A 77 -0.766 9.255 5.022 1.00 0.00 C ATOM 1240 CD2 TYR A 77 0.965 9.977 6.493 1.00 0.00 C ATOM 1241 CE1 TYR A 77 -1.086 10.571 4.746 1.00 0.00 C ATOM 1242 CE2 TYR A 77 0.651 11.296 6.222 1.00 0.00 C ATOM 1243 CZ TYR A 77 -0.375 11.587 5.348 1.00 0.00 C ATOM 1244 OH TYR A 77 -0.692 12.898 5.078 1.00 0.00 O ATOM 0 H TYR A 77 2.065 5.193 5.998 1.00 0.00 H new ATOM 0 HA TYR A 77 0.213 6.695 4.240 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -0.250 7.011 6.657 1.00 0.00 H new ATOM 0 HB3 TYR A 77 1.420 7.469 6.926 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -1.326 8.462 4.550 1.00 0.00 H new ATOM 0 HD2 TYR A 77 1.768 9.752 7.179 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -1.889 10.802 4.062 1.00 0.00 H new ATOM 0 HE2 TYR A 77 1.206 12.094 6.692 1.00 0.00 H new ATOM 0 HH TYR A 77 -0.096 13.489 5.584 1.00 0.00 H new ATOM 1254 N LEU A 78 2.022 8.034 3.203 1.00 0.00 N ATOM 1255 CA LEU A 78 3.100 8.709 2.491 1.00 0.00 C ATOM 1256 C LEU A 78 2.642 10.066 1.966 1.00 0.00 C ATOM 1257 O LEU A 78 1.508 10.219 1.513 1.00 0.00 O ATOM 1258 CB LEU A 78 3.616 7.832 1.343 1.00 0.00 C ATOM 1259 CG LEU A 78 2.558 7.359 0.340 1.00 0.00 C ATOM 1260 CD1 LEU A 78 2.039 8.521 -0.493 1.00 0.00 C ATOM 1261 CD2 LEU A 78 3.130 6.270 -0.556 1.00 0.00 C ATOM 0 H LEU A 78 1.102 8.140 2.775 1.00 0.00 H new ATOM 0 HA LEU A 78 3.917 8.878 3.193 1.00 0.00 H new ATOM 0 HB2 LEU A 78 4.381 8.388 0.801 1.00 0.00 H new ATOM 0 HB3 LEU A 78 4.102 6.955 1.771 1.00 0.00 H new ATOM 0 HG LEU A 78 1.718 6.945 0.898 1.00 0.00 H new ATOM 0 HD11 LEU A 78 1.290 8.158 -1.197 1.00 0.00 H new ATOM 0 HD12 LEU A 78 1.590 9.267 0.163 1.00 0.00 H new ATOM 0 HD13 LEU A 78 2.865 8.972 -1.043 1.00 0.00 H new ATOM 0 HD21 LEU A 78 2.368 5.943 -1.263 1.00 0.00 H new ATOM 0 HD22 LEU A 78 3.988 6.662 -1.102 1.00 0.00 H new ATOM 0 HD23 LEU A 78 3.444 5.424 0.055 1.00 0.00 H new ATOM 1273 N GLY A 79 3.529 11.052 2.043 1.00 0.00 N ATOM 1274 CA GLY A 79 3.201 12.389 1.578 1.00 0.00 C ATOM 1275 C GLY A 79 1.879 12.890 2.127 1.00 0.00 C ATOM 1276 O GLY A 79 1.813 13.392 3.249 1.00 0.00 O ATOM 0 H GLY A 79 4.471 10.950 2.420 1.00 0.00 H new ATOM 0 HA2 GLY A 79 3.995 13.076 1.870 1.00 0.00 H new ATOM 0 HA3 GLY A 79 3.162 12.391 0.489 1.00 0.00 H new ATOM 1280 N GLN A 80 0.822 12.751 1.332 1.00 0.00 N ATOM 1281 CA GLN A 80 -0.506 13.188 1.743 1.00 0.00 C ATOM 1282 C GLN A 80 -1.573 12.203 1.274 1.00 0.00 C ATOM 1283 O GLN A 80 -2.716 12.583 1.022 1.00 0.00 O ATOM 1284 CB GLN A 80 -0.806 14.586 1.193 1.00 0.00 C ATOM 1285 CG GLN A 80 -0.772 14.674 -0.326 1.00 0.00 C ATOM 1286 CD GLN A 80 0.610 14.420 -0.898 1.00 0.00 C ATOM 1287 OE1 GLN A 80 0.722 13.407 -1.748 1.00 0.00 O flip ATOM 1288 NE2 GLN A 80 1.565 15.129 -0.580 1.00 0.00 N flip ATOM 0 H GLN A 80 0.861 12.339 0.400 1.00 0.00 H new ATOM 0 HA GLN A 80 -0.525 13.226 2.832 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -1.790 14.900 1.543 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -0.082 15.290 1.604 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -1.472 13.950 -0.743 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -1.113 15.662 -0.636 1.00 0.00 H new ATOM 0 HE21 GLN A 80 1.433 15.898 0.077 1.00 0.00 H new ATOM 0 HE22 GLN A 80 2.488 14.948 -0.974 1.00 0.00 H new ATOM 1297 N VAL A 81 -1.190 10.935 1.163 1.00 0.00 N ATOM 1298 CA VAL A 81 -2.113 9.892 0.727 1.00 0.00 C ATOM 1299 C VAL A 81 -1.892 8.605 1.518 1.00 0.00 C ATOM 1300 O VAL A 81 -0.757 8.159 1.693 1.00 0.00 O ATOM 1301 CB VAL A 81 -1.954 9.591 -0.778 1.00 0.00 C ATOM 1302 CG1 VAL A 81 -2.960 8.540 -1.226 1.00 0.00 C ATOM 1303 CG2 VAL A 81 -2.101 10.865 -1.596 1.00 0.00 C ATOM 0 H VAL A 81 -0.247 10.605 1.369 1.00 0.00 H new ATOM 0 HA VAL A 81 -3.122 10.263 0.909 1.00 0.00 H new ATOM 0 HB VAL A 81 -0.953 9.193 -0.945 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -2.831 8.343 -2.290 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -2.799 7.620 -0.664 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -3.971 8.904 -1.045 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -1.986 10.633 -2.655 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -3.087 11.296 -1.424 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -1.335 11.580 -1.296 1.00 0.00 H new ATOM 1313 N ALA A 82 -2.982 8.013 1.991 1.00 0.00 N ATOM 1314 CA ALA A 82 -2.905 6.778 2.762 1.00 0.00 C ATOM 1315 C ALA A 82 -3.231 5.568 1.891 1.00 0.00 C ATOM 1316 O ALA A 82 -4.256 5.539 1.209 1.00 0.00 O ATOM 1317 CB ALA A 82 -3.848 6.839 3.954 1.00 0.00 C ATOM 0 H ALA A 82 -3.929 8.368 1.855 1.00 0.00 H new ATOM 0 HA ALA A 82 -1.883 6.669 3.126 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -3.779 5.910 4.520 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -3.571 7.676 4.595 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -4.871 6.975 3.602 1.00 0.00 H new ATOM 1323 N ILE A 83 -2.351 4.571 1.919 1.00 0.00 N ATOM 1324 CA ILE A 83 -2.548 3.360 1.131 1.00 0.00 C ATOM 1325 C ILE A 83 -2.732 2.145 2.036 1.00 0.00 C ATOM 1326 O ILE A 83 -2.040 1.998 3.043 1.00 0.00 O ATOM 1327 CB ILE A 83 -1.363 3.121 0.168 1.00 0.00 C ATOM 1328 CG1 ILE A 83 -1.211 4.312 -0.779 1.00 0.00 C ATOM 1329 CG2 ILE A 83 -1.555 1.831 -0.624 1.00 0.00 C ATOM 1330 CD1 ILE A 83 -0.049 4.176 -1.740 1.00 0.00 C ATOM 0 H ILE A 83 -1.497 4.578 2.477 1.00 0.00 H new ATOM 0 HA ILE A 83 -3.453 3.499 0.540 1.00 0.00 H new ATOM 0 HB ILE A 83 -0.453 3.020 0.759 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -2.132 4.432 -1.350 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -1.081 5.220 -0.190 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -0.708 1.686 -1.294 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -1.622 0.988 0.064 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -2.473 1.896 -1.208 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -0.002 5.056 -2.381 1.00 0.00 H new ATOM 0 HD12 ILE A 83 0.880 4.087 -1.177 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -0.188 3.287 -2.355 1.00 0.00 H new ATOM 1342 N LEU A 84 -3.676 1.278 1.675 1.00 0.00 N ATOM 1343 CA LEU A 84 -3.955 0.080 2.461 1.00 0.00 C ATOM 1344 C LEU A 84 -3.982 -1.154 1.567 1.00 0.00 C ATOM 1345 O LEU A 84 -4.822 -1.271 0.677 1.00 0.00 O ATOM 1346 CB LEU A 84 -5.291 0.239 3.200 1.00 0.00 C ATOM 1347 CG LEU A 84 -5.650 -0.881 4.185 1.00 0.00 C ATOM 1348 CD1 LEU A 84 -6.869 -0.492 5.006 1.00 0.00 C ATOM 1349 CD2 LEU A 84 -5.908 -2.186 3.450 1.00 0.00 C ATOM 0 H LEU A 84 -4.259 1.383 0.845 1.00 0.00 H new ATOM 0 HA LEU A 84 -3.160 -0.051 3.195 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -5.273 1.183 3.745 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -6.087 0.314 2.459 1.00 0.00 H new ATOM 0 HG LEU A 84 -4.804 -1.027 4.857 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -7.112 -1.296 5.700 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -6.655 0.418 5.566 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -7.715 -0.319 4.341 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -6.161 -2.965 4.169 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -6.736 -2.054 2.753 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -5.013 -2.477 2.900 1.00 0.00 H new ATOM 1361 N LEU A 85 -3.059 -2.073 1.816 1.00 0.00 N ATOM 1362 CA LEU A 85 -2.974 -3.301 1.040 1.00 0.00 C ATOM 1363 C LEU A 85 -3.400 -4.496 1.882 1.00 0.00 C ATOM 1364 O LEU A 85 -3.145 -4.544 3.084 1.00 0.00 O ATOM 1365 CB LEU A 85 -1.550 -3.507 0.518 1.00 0.00 C ATOM 1366 CG LEU A 85 -1.325 -4.802 -0.267 1.00 0.00 C ATOM 1367 CD1 LEU A 85 -2.210 -4.843 -1.505 1.00 0.00 C ATOM 1368 CD2 LEU A 85 0.142 -4.940 -0.651 1.00 0.00 C ATOM 0 H LEU A 85 -2.357 -1.990 2.551 1.00 0.00 H new ATOM 0 HA LEU A 85 -3.650 -3.215 0.189 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -1.289 -2.663 -0.121 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -0.864 -3.490 1.365 1.00 0.00 H new ATOM 0 HG LEU A 85 -1.596 -5.643 0.371 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -2.034 -5.772 -2.048 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -3.257 -4.791 -1.206 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -1.974 -3.996 -2.149 1.00 0.00 H new ATOM 0 HD21 LEU A 85 0.287 -5.865 -1.209 1.00 0.00 H new ATOM 0 HD22 LEU A 85 0.437 -4.093 -1.271 1.00 0.00 H new ATOM 0 HD23 LEU A 85 0.754 -4.960 0.251 1.00 0.00 H new ATOM 1380 N PHE A 86 -4.061 -5.455 1.248 1.00 0.00 N ATOM 1381 CA PHE A 86 -4.529 -6.646 1.943 1.00 0.00 C ATOM 1382 C PHE A 86 -4.919 -7.734 0.953 1.00 0.00 C ATOM 1383 O PHE A 86 -4.819 -7.547 -0.259 1.00 0.00 O ATOM 1384 CB PHE A 86 -5.723 -6.301 2.830 1.00 0.00 C ATOM 1385 CG PHE A 86 -6.847 -5.646 2.083 1.00 0.00 C ATOM 1386 CD1 PHE A 86 -6.700 -4.373 1.556 1.00 0.00 C ATOM 1387 CD2 PHE A 86 -8.049 -6.305 1.903 1.00 0.00 C ATOM 1388 CE1 PHE A 86 -7.732 -3.770 0.865 1.00 0.00 C ATOM 1389 CE2 PHE A 86 -9.085 -5.708 1.213 1.00 0.00 C ATOM 1390 CZ PHE A 86 -8.927 -4.439 0.693 1.00 0.00 C ATOM 0 H PHE A 86 -4.285 -5.431 0.253 1.00 0.00 H new ATOM 0 HA PHE A 86 -3.715 -7.020 2.564 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -6.092 -7.212 3.302 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -5.393 -5.639 3.630 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -5.767 -3.846 1.687 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -8.179 -7.298 2.307 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -7.605 -2.777 0.460 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -10.019 -6.234 1.080 1.00 0.00 H new ATOM 0 HZ PHE A 86 -9.737 -3.971 0.153 1.00 0.00 H new ATOM 1400 N LYS A 87 -5.359 -8.874 1.474 1.00 0.00 N ATOM 1401 CA LYS A 87 -5.755 -9.987 0.621 1.00 0.00 C ATOM 1402 C LYS A 87 -6.474 -11.074 1.409 1.00 0.00 C ATOM 1403 O LYS A 87 -6.690 -10.949 2.613 1.00 0.00 O ATOM 1404 CB LYS A 87 -4.521 -10.563 -0.069 1.00 0.00 C ATOM 1405 CG LYS A 87 -3.457 -11.069 0.896 1.00 0.00 C ATOM 1406 CD LYS A 87 -3.728 -12.493 1.361 1.00 0.00 C ATOM 1407 CE LYS A 87 -3.218 -13.521 0.360 1.00 0.00 C ATOM 1408 NZ LYS A 87 -3.927 -13.439 -0.947 1.00 0.00 N ATOM 0 H LYS A 87 -5.450 -9.051 2.474 1.00 0.00 H new ATOM 0 HA LYS A 87 -6.453 -9.611 -0.127 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -4.829 -11.383 -0.718 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -4.083 -9.797 -0.709 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -2.481 -11.027 0.412 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -3.412 -10.409 1.762 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -3.250 -12.657 2.327 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -4.799 -12.630 1.509 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -2.150 -13.371 0.201 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -3.341 -14.521 0.775 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -3.778 -14.320 -1.479 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -4.945 -13.302 -0.782 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -3.554 -12.637 -1.495 1.00 0.00 H new ATOM 1422 N SER A 88 -6.833 -12.147 0.711 1.00 0.00 N ATOM 1423 CA SER A 88 -7.523 -13.275 1.333 1.00 0.00 C ATOM 1424 C SER A 88 -6.631 -14.514 1.376 1.00 0.00 C ATOM 1425 O SER A 88 -6.804 -15.441 0.583 1.00 0.00 O ATOM 1426 CB SER A 88 -8.809 -13.598 0.571 1.00 0.00 C ATOM 1427 OG SER A 88 -8.533 -13.921 -0.781 1.00 0.00 O ATOM 0 H SER A 88 -6.658 -12.260 -0.287 1.00 0.00 H new ATOM 0 HA SER A 88 -7.769 -12.989 2.356 1.00 0.00 H new ATOM 0 HB2 SER A 88 -9.320 -14.433 1.051 1.00 0.00 H new ATOM 0 HB3 SER A 88 -9.485 -12.744 0.614 1.00 0.00 H new ATOM 0 HG SER A 88 -7.893 -14.662 -0.816 1.00 0.00 H new ATOM 1433 N GLY A 89 -5.681 -14.531 2.305 1.00 0.00 N ATOM 1434 CA GLY A 89 -4.786 -15.668 2.428 1.00 0.00 C ATOM 1435 C GLY A 89 -5.424 -16.832 3.158 1.00 0.00 C ATOM 1436 O GLY A 89 -5.586 -16.741 4.393 1.00 0.00 O ATOM 1437 OXT GLY A 89 -5.763 -17.834 2.496 1.00 0.00 O ATOM 0 H GLY A 89 -5.515 -13.779 2.974 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -4.477 -15.992 1.434 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -3.884 -15.361 2.958 1.00 0.00 H new TER 1441 GLY A 89