USER MOD reduce.3.24.130724 H: found=0, std=0, add=779, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 777 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 38 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 42 LYS NZ :NH3+ -119:sc= -0.802 (180deg=-1.41!) USER MOD Single : A 0 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET CE :methyl -125:sc= 0 (180deg=-0.191) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 160:sc= -0.0177 (180deg=-0.317) USER MOD Single : A -1 HIS : no HE2:sc= -2.68! C(o=-2.7!,f=-3.3!) USER MOD Single : A -2 SER OG : rot 180:sc= 0 USER MOD Single : A -3 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot -22:sc= 0.68 USER MOD Single : A 12 SER OG : rot 180:sc= -0.231 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ -160:sc= -0.0662 (180deg=-0.503) USER MOD Single : A 18 SER OG : rot 180:sc= -0.665 USER MOD Single : A 23 ASN :FLIP amide:sc= -0.585 F(o=-1.2,f=-0.59) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= -1.8! K(o=-1.8!,f=-2.5) USER MOD Single : A 29 GLN : amide:sc= -0.168 K(o=-0.17,f=-2.5!) USER MOD Single : A 32 TYR OH : rot -172:sc= -0.998 USER MOD Single : A 39 LYS NZ :NH3+ -175:sc= -2.03 (180deg=-2.07) USER MOD Single : A 40 GLN : amide:sc= -0.181 X(o=-0.18,f=-0.26) USER MOD Single : A 43 GLN : amide:sc= -0.0139 K(o=-0.014,f=-1.4!) USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 110:sc= 0.176 USER MOD Single : A 55 TYR OH : rot -89:sc= 0.364 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 161:sc= -0.032 (180deg=-0.432) USER MOD Single : A 60 GLN : amide:sc= -1.34 K(o=-1.3,f=-1.9!) USER MOD Single : A 64 ASN : amide:sc= -1.31! C(o=-1.3!,f=-2.1!) USER MOD Single : A 65 THR OG1 : rot -130:sc= -0.396 USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 ASN :FLIP amide:sc= -6.26! C(o=-8.1!,f=-6.3!) USER MOD Single : A 71 LYS NZ :NH3+ 154:sc= -0.792 (180deg=-1.77) USER MOD Single : A 75 CYS SG : rot -93:sc= -4! USER MOD Single : A 78 LYS NZ :NH3+ -164:sc= -0.0554 (180deg=-0.455) USER MOD Single : A 81 HIS : no HE2:sc= 0.216 K(o=0.22,f=-1.2) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 LYS NZ :NH3+ -114:sc= -0.174 (180deg=-1) USER MOD Single : A 86 TYR OH : rot -132:sc= 0.00139 USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -3 77.752 9.109 21.809 1.00 0.00 N ATOM 2 CA GLY A -3 76.670 10.063 21.435 1.00 0.00 C ATOM 3 C GLY A -3 75.330 9.538 21.938 1.00 0.00 C ATOM 4 O GLY A -3 74.682 8.726 21.276 1.00 0.00 O ATOM 0 H1 GLY A -3 78.666 9.468 21.465 1.00 0.00 H new ATOM 0 H2 GLY A -3 77.786 9.011 22.844 1.00 0.00 H new ATOM 0 H3 GLY A -3 77.561 8.181 21.379 1.00 0.00 H new ATOM 0 HA2 GLY A -3 76.872 11.044 21.864 1.00 0.00 H new ATOM 0 HA3 GLY A -3 76.640 10.189 20.353 1.00 0.00 H new ATOM 10 N SER A -2 74.918 10.008 23.110 1.00 0.00 N ATOM 11 CA SER A -2 73.651 9.579 23.692 1.00 0.00 C ATOM 12 C SER A -2 72.480 10.105 22.870 1.00 0.00 C ATOM 13 O SER A -2 72.565 11.178 22.270 1.00 0.00 O ATOM 14 CB SER A -2 73.537 10.089 25.129 1.00 0.00 C ATOM 15 OG SER A -2 74.566 9.503 25.917 1.00 0.00 O ATOM 0 H SER A -2 75.438 10.681 23.673 1.00 0.00 H new ATOM 0 HA SER A -2 73.622 8.489 23.690 1.00 0.00 H new ATOM 0 HB2 SER A -2 73.621 11.176 25.150 1.00 0.00 H new ATOM 0 HB3 SER A -2 72.560 9.837 25.540 1.00 0.00 H new ATOM 0 HG SER A -2 74.498 9.829 26.839 1.00 0.00 H new ATOM 21 N HIS A -1 71.390 9.342 22.845 1.00 0.00 N ATOM 22 CA HIS A -1 70.203 9.737 22.093 1.00 0.00 C ATOM 23 C HIS A -1 68.961 9.663 22.975 1.00 0.00 C ATOM 24 O HIS A -1 68.844 8.786 23.830 1.00 0.00 O ATOM 25 CB HIS A -1 70.025 8.822 20.880 1.00 0.00 C ATOM 26 CG HIS A -1 71.171 9.022 19.927 1.00 0.00 C ATOM 27 ND1 HIS A -1 72.389 8.381 20.089 1.00 0.00 N ATOM 28 CD2 HIS A -1 71.299 9.791 18.798 1.00 0.00 C ATOM 29 CE1 HIS A -1 73.190 8.772 19.081 1.00 0.00 C ATOM 30 NE2 HIS A -1 72.574 9.632 18.265 1.00 0.00 N ATOM 0 H HIS A -1 71.304 8.451 23.334 1.00 0.00 H new ATOM 0 HA HIS A -1 70.335 10.765 21.756 1.00 0.00 H new ATOM 0 HB2 HIS A -1 69.982 7.781 21.200 1.00 0.00 H new ATOM 0 HB3 HIS A -1 69.081 9.042 20.381 1.00 0.00 H new ATOM 0 HD1 HIS A -1 72.634 7.731 20.836 1.00 0.00 H new ATOM 0 HD2 HIS A -1 70.527 10.424 18.386 1.00 0.00 H new ATOM 0 HE1 HIS A -1 74.206 8.432 18.948 1.00 0.00 H new ATOM 38 N MET A 0 68.034 10.592 22.758 1.00 0.00 N ATOM 39 CA MET A 0 66.802 10.625 23.536 1.00 0.00 C ATOM 40 C MET A 0 66.016 9.331 23.346 1.00 0.00 C ATOM 41 O MET A 0 65.414 8.817 24.288 1.00 0.00 O ATOM 42 CB MET A 0 65.943 11.815 23.103 1.00 0.00 C ATOM 43 CG MET A 0 64.561 11.711 23.752 1.00 0.00 C ATOM 44 SD MET A 0 63.830 13.362 23.880 1.00 0.00 S ATOM 45 CE MET A 0 62.117 12.833 24.116 1.00 0.00 C ATOM 0 H MET A 0 68.112 11.327 22.055 1.00 0.00 H new ATOM 0 HA MET A 0 67.061 10.729 24.590 1.00 0.00 H new ATOM 0 HB2 MET A 0 66.424 12.749 23.394 1.00 0.00 H new ATOM 0 HB3 MET A 0 65.846 11.831 22.017 1.00 0.00 H new ATOM 0 HG2 MET A 0 63.917 11.061 23.159 1.00 0.00 H new ATOM 0 HG3 MET A 0 64.645 11.261 24.741 1.00 0.00 H new ATOM 0 HE1 MET A 0 61.477 13.709 24.220 1.00 0.00 H new ATOM 0 HE2 MET A 0 61.795 12.248 23.254 1.00 0.00 H new ATOM 0 HE3 MET A 0 62.045 12.223 25.016 1.00 0.00 H new ATOM 55 N MET A 1 66.028 8.812 22.122 1.00 0.00 N ATOM 56 CA MET A 1 65.313 7.578 21.822 1.00 0.00 C ATOM 57 C MET A 1 66.187 6.365 22.128 1.00 0.00 C ATOM 58 O MET A 1 67.391 6.375 21.867 1.00 0.00 O ATOM 59 CB MET A 1 64.905 7.555 20.348 1.00 0.00 C ATOM 60 CG MET A 1 63.976 8.740 20.057 1.00 0.00 C ATOM 61 SD MET A 1 63.492 8.730 18.311 1.00 0.00 S ATOM 62 CE MET A 1 62.226 7.439 18.411 1.00 0.00 C ATOM 0 H MET A 1 66.520 9.223 21.329 1.00 0.00 H new ATOM 0 HA MET A 1 64.421 7.537 22.446 1.00 0.00 H new ATOM 0 HB2 MET A 1 65.790 7.608 19.714 1.00 0.00 H new ATOM 0 HB3 MET A 1 64.401 6.618 20.114 1.00 0.00 H new ATOM 0 HG2 MET A 1 63.090 8.683 20.689 1.00 0.00 H new ATOM 0 HG3 MET A 1 64.480 9.676 20.298 1.00 0.00 H new ATOM 0 HE1 MET A 1 62.454 6.650 17.695 1.00 0.00 H new ATOM 0 HE2 MET A 1 62.210 7.022 19.418 1.00 0.00 H new ATOM 0 HE3 MET A 1 61.251 7.867 18.181 1.00 0.00 H new ATOM 72 N ALA A 2 65.576 5.324 22.683 1.00 0.00 N ATOM 73 CA ALA A 2 66.310 4.110 23.021 1.00 0.00 C ATOM 74 C ALA A 2 66.845 3.443 21.759 1.00 0.00 C ATOM 75 O ALA A 2 66.180 3.433 20.723 1.00 0.00 O ATOM 76 CB ALA A 2 65.394 3.138 23.767 1.00 0.00 C ATOM 0 H ALA A 2 64.581 5.296 22.907 1.00 0.00 H new ATOM 0 HA ALA A 2 67.150 4.379 23.661 1.00 0.00 H new ATOM 0 HB1 ALA A 2 65.949 2.234 24.016 1.00 0.00 H new ATOM 0 HB2 ALA A 2 65.034 3.607 24.683 1.00 0.00 H new ATOM 0 HB3 ALA A 2 64.545 2.880 23.134 1.00 0.00 H new ATOM 82 N THR A 3 68.049 2.888 21.851 1.00 0.00 N ATOM 83 CA THR A 3 68.659 2.222 20.706 1.00 0.00 C ATOM 84 C THR A 3 67.934 0.917 20.396 1.00 0.00 C ATOM 85 O THR A 3 67.771 0.063 21.267 1.00 0.00 O ATOM 86 CB THR A 3 70.135 1.933 20.996 1.00 0.00 C ATOM 87 OG1 THR A 3 70.818 3.157 21.232 1.00 0.00 O ATOM 88 CG2 THR A 3 70.764 1.215 19.802 1.00 0.00 C ATOM 0 H THR A 3 68.617 2.886 22.698 1.00 0.00 H new ATOM 0 HA THR A 3 68.581 2.881 19.841 1.00 0.00 H new ATOM 0 HB THR A 3 70.214 1.297 21.878 1.00 0.00 H new ATOM 0 HG1 THR A 3 71.762 2.974 21.419 1.00 0.00 H new ATOM 0 HG21 THR A 3 71.814 1.011 20.012 1.00 0.00 H new ATOM 0 HG22 THR A 3 70.240 0.276 19.625 1.00 0.00 H new ATOM 0 HG23 THR A 3 70.687 1.846 18.916 1.00 0.00 H new ATOM 96 N SER A 4 67.502 0.772 19.147 1.00 0.00 N ATOM 97 CA SER A 4 66.794 -0.433 18.728 1.00 0.00 C ATOM 98 C SER A 4 67.225 -0.847 17.325 1.00 0.00 C ATOM 99 O SER A 4 66.530 -1.607 16.650 1.00 0.00 O ATOM 100 CB SER A 4 65.285 -0.190 18.753 1.00 0.00 C ATOM 101 OG SER A 4 64.973 0.921 17.927 1.00 0.00 O ATOM 0 H SER A 4 67.628 1.468 18.412 1.00 0.00 H new ATOM 0 HA SER A 4 67.041 -1.236 19.422 1.00 0.00 H new ATOM 0 HB2 SER A 4 64.757 -1.077 18.403 1.00 0.00 H new ATOM 0 HB3 SER A 4 64.952 -0.003 19.774 1.00 0.00 H new ATOM 0 HG SER A 4 64.006 1.077 17.940 1.00 0.00 H new ATOM 107 N ASP A 5 68.374 -0.340 16.889 1.00 0.00 N ATOM 108 CA ASP A 5 68.883 -0.662 15.562 1.00 0.00 C ATOM 109 C ASP A 5 69.095 -2.166 15.426 1.00 0.00 C ATOM 110 O ASP A 5 69.660 -2.805 16.313 1.00 0.00 O ATOM 111 CB ASP A 5 70.207 0.066 15.317 1.00 0.00 C ATOM 112 CG ASP A 5 70.678 -0.174 13.885 1.00 0.00 C ATOM 113 OD1 ASP A 5 70.033 -0.942 13.191 1.00 0.00 O ATOM 114 OD2 ASP A 5 71.678 0.412 13.506 1.00 0.00 O ATOM 0 H ASP A 5 68.965 0.290 17.431 1.00 0.00 H new ATOM 0 HA ASP A 5 68.151 -0.338 14.822 1.00 0.00 H new ATOM 0 HB2 ASP A 5 70.082 1.134 15.493 1.00 0.00 H new ATOM 0 HB3 ASP A 5 70.961 -0.287 16.021 1.00 0.00 H new ATOM 119 N VAL A 6 68.634 -2.726 14.313 1.00 0.00 N ATOM 120 CA VAL A 6 68.775 -4.158 14.074 1.00 0.00 C ATOM 121 C VAL A 6 70.126 -4.459 13.440 1.00 0.00 C ATOM 122 O VAL A 6 70.468 -3.905 12.393 1.00 0.00 O ATOM 123 CB VAL A 6 67.664 -4.645 13.146 1.00 0.00 C ATOM 124 CG1 VAL A 6 67.822 -6.147 12.901 1.00 0.00 C ATOM 125 CG2 VAL A 6 66.299 -4.367 13.783 1.00 0.00 C ATOM 0 H VAL A 6 68.163 -2.215 13.567 1.00 0.00 H new ATOM 0 HA VAL A 6 68.705 -4.675 15.031 1.00 0.00 H new ATOM 0 HB VAL A 6 67.731 -4.115 12.196 1.00 0.00 H new ATOM 0 HG11 VAL A 6 67.028 -6.493 12.239 1.00 0.00 H new ATOM 0 HG12 VAL A 6 68.790 -6.340 12.439 1.00 0.00 H new ATOM 0 HG13 VAL A 6 67.760 -6.679 13.850 1.00 0.00 H new ATOM 0 HG21 VAL A 6 65.509 -4.716 13.118 1.00 0.00 H new ATOM 0 HG22 VAL A 6 66.229 -4.891 14.736 1.00 0.00 H new ATOM 0 HG23 VAL A 6 66.186 -3.296 13.949 1.00 0.00 H new ATOM 135 N LYS A 7 70.890 -5.339 14.077 1.00 0.00 N ATOM 136 CA LYS A 7 72.204 -5.698 13.563 1.00 0.00 C ATOM 137 C LYS A 7 72.106 -6.873 12.583 1.00 0.00 C ATOM 138 O LYS A 7 71.195 -7.695 12.691 1.00 0.00 O ATOM 139 CB LYS A 7 73.134 -6.067 14.723 1.00 0.00 C ATOM 140 CG LYS A 7 72.383 -6.934 15.737 1.00 0.00 C ATOM 141 CD LYS A 7 73.369 -7.562 16.732 1.00 0.00 C ATOM 142 CE LYS A 7 74.013 -6.475 17.601 1.00 0.00 C ATOM 143 NZ LYS A 7 74.777 -7.115 18.707 1.00 0.00 N ATOM 0 H LYS A 7 70.625 -5.812 14.941 1.00 0.00 H new ATOM 0 HA LYS A 7 72.610 -4.838 13.030 1.00 0.00 H new ATOM 0 HB2 LYS A 7 74.004 -6.604 14.346 1.00 0.00 H new ATOM 0 HB3 LYS A 7 73.503 -5.163 15.207 1.00 0.00 H new ATOM 0 HG2 LYS A 7 71.651 -6.329 16.272 1.00 0.00 H new ATOM 0 HG3 LYS A 7 71.831 -7.717 15.218 1.00 0.00 H new ATOM 0 HD2 LYS A 7 72.849 -8.282 17.364 1.00 0.00 H new ATOM 0 HD3 LYS A 7 74.141 -8.111 16.192 1.00 0.00 H new ATOM 0 HE2 LYS A 7 74.676 -5.856 16.997 1.00 0.00 H new ATOM 0 HE3 LYS A 7 73.245 -5.817 18.008 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 75.215 -6.379 19.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 74.132 -7.688 19.288 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 75.519 -7.726 18.309 1.00 0.00 H new ATOM 157 N PRO A 8 73.025 -6.990 11.645 1.00 0.00 N ATOM 158 CA PRO A 8 73.023 -8.110 10.662 1.00 0.00 C ATOM 159 C PRO A 8 72.794 -9.465 11.325 1.00 0.00 C ATOM 160 O PRO A 8 72.956 -9.613 12.535 1.00 0.00 O ATOM 161 CB PRO A 8 74.418 -8.058 10.047 1.00 0.00 C ATOM 162 CG PRO A 8 74.863 -6.645 10.181 1.00 0.00 C ATOM 163 CD PRO A 8 74.149 -6.063 11.398 1.00 0.00 C ATOM 0 HA PRO A 8 72.218 -8.002 9.935 1.00 0.00 H new ATOM 0 HB2 PRO A 8 75.099 -8.734 10.564 1.00 0.00 H new ATOM 0 HB3 PRO A 8 74.397 -8.365 9.001 1.00 0.00 H new ATOM 0 HG2 PRO A 8 75.944 -6.592 10.307 1.00 0.00 H new ATOM 0 HG3 PRO A 8 74.619 -6.077 9.283 1.00 0.00 H new ATOM 0 HD2 PRO A 8 74.814 -6.007 12.260 1.00 0.00 H new ATOM 0 HD3 PRO A 8 73.794 -5.051 11.204 1.00 0.00 H new ATOM 171 N LYS A 9 72.424 -10.448 10.511 1.00 0.00 N ATOM 172 CA LYS A 9 72.185 -11.793 11.010 1.00 0.00 C ATOM 173 C LYS A 9 73.454 -12.632 10.905 1.00 0.00 C ATOM 174 O LYS A 9 73.700 -13.507 11.735 1.00 0.00 O ATOM 175 CB LYS A 9 71.065 -12.463 10.210 1.00 0.00 C ATOM 176 CG LYS A 9 70.474 -13.618 11.021 1.00 0.00 C ATOM 177 CD LYS A 9 69.322 -13.102 11.888 1.00 0.00 C ATOM 178 CE LYS A 9 68.892 -14.195 12.869 1.00 0.00 C ATOM 179 NZ LYS A 9 69.927 -14.343 13.930 1.00 0.00 N ATOM 0 H LYS A 9 72.284 -10.337 9.507 1.00 0.00 H new ATOM 0 HA LYS A 9 71.888 -11.722 12.056 1.00 0.00 H new ATOM 0 HB2 LYS A 9 70.288 -11.736 9.974 1.00 0.00 H new ATOM 0 HB3 LYS A 9 71.454 -12.833 9.261 1.00 0.00 H new ATOM 0 HG2 LYS A 9 70.116 -14.400 10.351 1.00 0.00 H new ATOM 0 HG3 LYS A 9 71.244 -14.065 11.650 1.00 0.00 H new ATOM 0 HD2 LYS A 9 69.634 -12.211 12.433 1.00 0.00 H new ATOM 0 HD3 LYS A 9 68.481 -12.812 11.259 1.00 0.00 H new ATOM 0 HE2 LYS A 9 67.931 -13.940 13.316 1.00 0.00 H new ATOM 0 HE3 LYS A 9 68.758 -15.140 12.342 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 69.510 -14.813 14.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 70.716 -14.915 13.568 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 70.278 -13.404 14.206 1.00 0.00 H new ATOM 193 N SER A 10 74.257 -12.367 9.876 1.00 0.00 N ATOM 194 CA SER A 10 75.494 -13.113 9.678 1.00 0.00 C ATOM 195 C SER A 10 76.420 -12.388 8.706 1.00 0.00 C ATOM 196 O SER A 10 76.029 -11.406 8.075 1.00 0.00 O ATOM 197 CB SER A 10 75.183 -14.510 9.142 1.00 0.00 C ATOM 198 OG SER A 10 74.413 -15.219 10.102 1.00 0.00 O ATOM 0 H SER A 10 74.075 -11.649 9.175 1.00 0.00 H new ATOM 0 HA SER A 10 75.997 -13.195 10.641 1.00 0.00 H new ATOM 0 HB2 SER A 10 74.637 -14.438 8.202 1.00 0.00 H new ATOM 0 HB3 SER A 10 76.109 -15.046 8.933 1.00 0.00 H new ATOM 0 HG SER A 10 74.545 -14.820 10.987 1.00 0.00 H new ATOM 204 N ILE A 11 77.649 -12.887 8.592 1.00 0.00 N ATOM 205 CA ILE A 11 78.630 -12.292 7.686 1.00 0.00 C ATOM 206 C ILE A 11 79.260 -13.348 6.783 1.00 0.00 C ATOM 207 O ILE A 11 79.635 -14.430 7.240 1.00 0.00 O ATOM 208 CB ILE A 11 79.714 -11.556 8.477 1.00 0.00 C ATOM 209 CG1 ILE A 11 79.076 -10.426 9.297 1.00 0.00 C ATOM 210 CG2 ILE A 11 80.740 -10.967 7.508 1.00 0.00 C ATOM 211 CD1 ILE A 11 78.796 -10.918 10.716 1.00 0.00 C ATOM 0 H ILE A 11 77.988 -13.696 9.112 1.00 0.00 H new ATOM 0 HA ILE A 11 78.107 -11.574 7.054 1.00 0.00 H new ATOM 0 HB ILE A 11 80.209 -12.256 9.150 1.00 0.00 H new ATOM 0 HG12 ILE A 11 79.741 -9.563 9.325 1.00 0.00 H new ATOM 0 HG13 ILE A 11 78.149 -10.099 8.825 1.00 0.00 H new ATOM 0 HG21 ILE A 11 81.512 -10.443 8.070 1.00 0.00 H new ATOM 0 HG22 ILE A 11 81.195 -11.770 6.928 1.00 0.00 H new ATOM 0 HG23 ILE A 11 80.245 -10.268 6.834 1.00 0.00 H new ATOM 0 HD11 ILE A 11 78.343 -10.115 11.297 1.00 0.00 H new ATOM 0 HD12 ILE A 11 78.114 -11.768 10.679 1.00 0.00 H new ATOM 0 HD13 ILE A 11 79.731 -11.223 11.186 1.00 0.00 H new ATOM 223 N SER A 12 79.360 -13.023 5.494 1.00 0.00 N ATOM 224 CA SER A 12 79.933 -13.938 4.512 1.00 0.00 C ATOM 225 C SER A 12 81.127 -13.294 3.811 1.00 0.00 C ATOM 226 O SER A 12 81.468 -12.141 4.079 1.00 0.00 O ATOM 227 CB SER A 12 78.877 -14.323 3.474 1.00 0.00 C ATOM 228 OG SER A 12 79.416 -15.310 2.603 1.00 0.00 O ATOM 0 H SER A 12 79.051 -12.131 5.107 1.00 0.00 H new ATOM 0 HA SER A 12 80.271 -14.833 5.034 1.00 0.00 H new ATOM 0 HB2 SER A 12 77.985 -14.706 3.970 1.00 0.00 H new ATOM 0 HB3 SER A 12 78.573 -13.445 2.904 1.00 0.00 H new ATOM 0 HG SER A 12 78.743 -15.561 1.937 1.00 0.00 H new ATOM 234 N ARG A 13 81.753 -14.049 2.913 1.00 0.00 N ATOM 235 CA ARG A 13 82.904 -13.543 2.172 1.00 0.00 C ATOM 236 C ARG A 13 82.586 -13.421 0.690 1.00 0.00 C ATOM 237 O ARG A 13 82.033 -14.338 0.084 1.00 0.00 O ATOM 238 CB ARG A 13 84.104 -14.462 2.366 1.00 0.00 C ATOM 239 CG ARG A 13 84.505 -14.458 3.843 1.00 0.00 C ATOM 240 CD ARG A 13 85.885 -15.083 3.989 1.00 0.00 C ATOM 241 NE ARG A 13 86.257 -15.155 5.397 1.00 0.00 N ATOM 242 CZ ARG A 13 86.731 -14.089 6.035 1.00 0.00 C ATOM 243 NH1 ARG A 13 86.852 -12.952 5.404 1.00 0.00 N ATOM 244 NH2 ARG A 13 87.068 -14.178 7.292 1.00 0.00 N ATOM 0 H ARG A 13 81.486 -15.006 2.682 1.00 0.00 H new ATOM 0 HA ARG A 13 83.144 -12.552 2.559 1.00 0.00 H new ATOM 0 HB2 ARG A 13 83.858 -15.474 2.046 1.00 0.00 H new ATOM 0 HB3 ARG A 13 84.938 -14.127 1.749 1.00 0.00 H new ATOM 0 HG2 ARG A 13 84.512 -13.438 4.227 1.00 0.00 H new ATOM 0 HG3 ARG A 13 83.776 -15.015 4.431 1.00 0.00 H new ATOM 0 HD2 ARG A 13 85.888 -16.082 3.553 1.00 0.00 H new ATOM 0 HD3 ARG A 13 86.620 -14.493 3.441 1.00 0.00 H new ATOM 0 HE ARG A 13 86.152 -16.036 5.900 1.00 0.00 H new ATOM 0 HH11 ARG A 13 86.583 -12.882 4.423 1.00 0.00 H new ATOM 0 HH12 ARG A 13 87.215 -12.134 5.893 1.00 0.00 H new ATOM 0 HH21 ARG A 13 86.968 -15.065 7.785 1.00 0.00 H new ATOM 0 HH22 ARG A 13 87.432 -13.360 7.782 1.00 0.00 H new ATOM 258 N ALA A 14 82.938 -12.274 0.107 1.00 0.00 N ATOM 259 CA ALA A 14 82.676 -12.047 -1.309 1.00 0.00 C ATOM 260 C ALA A 14 83.441 -13.054 -2.156 1.00 0.00 C ATOM 261 O ALA A 14 84.559 -13.441 -1.814 1.00 0.00 O ATOM 262 CB ALA A 14 83.087 -10.623 -1.691 1.00 0.00 C ATOM 0 H ALA A 14 83.398 -11.501 0.587 1.00 0.00 H new ATOM 0 HA ALA A 14 81.609 -12.174 -1.494 1.00 0.00 H new ATOM 0 HB1 ALA A 14 82.889 -10.459 -2.750 1.00 0.00 H new ATOM 0 HB2 ALA A 14 82.515 -9.908 -1.100 1.00 0.00 H new ATOM 0 HB3 ALA A 14 84.151 -10.486 -1.495 1.00 0.00 H new ATOM 268 N LYS A 15 82.835 -13.481 -3.259 1.00 0.00 N ATOM 269 CA LYS A 15 83.472 -14.450 -4.145 1.00 0.00 C ATOM 270 C LYS A 15 84.169 -13.755 -5.310 1.00 0.00 C ATOM 271 O LYS A 15 85.270 -14.137 -5.705 1.00 0.00 O ATOM 272 CB LYS A 15 82.416 -15.414 -4.690 1.00 0.00 C ATOM 273 CG LYS A 15 81.944 -16.359 -3.580 1.00 0.00 C ATOM 274 CD LYS A 15 82.872 -17.575 -3.496 1.00 0.00 C ATOM 275 CE LYS A 15 82.333 -18.557 -2.459 1.00 0.00 C ATOM 276 NZ LYS A 15 83.201 -19.767 -2.424 1.00 0.00 N ATOM 0 H LYS A 15 81.910 -13.174 -3.560 1.00 0.00 H new ATOM 0 HA LYS A 15 84.220 -14.997 -3.572 1.00 0.00 H new ATOM 0 HB2 LYS A 15 81.569 -14.853 -5.085 1.00 0.00 H new ATOM 0 HB3 LYS A 15 82.831 -15.990 -5.517 1.00 0.00 H new ATOM 0 HG2 LYS A 15 81.932 -15.834 -2.625 1.00 0.00 H new ATOM 0 HG3 LYS A 15 80.923 -16.684 -3.778 1.00 0.00 H new ATOM 0 HD2 LYS A 15 82.942 -18.060 -4.470 1.00 0.00 H new ATOM 0 HD3 LYS A 15 83.879 -17.259 -3.224 1.00 0.00 H new ATOM 0 HE2 LYS A 15 82.307 -18.087 -1.476 1.00 0.00 H new ATOM 0 HE3 LYS A 15 81.309 -18.838 -2.706 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 82.835 -20.437 -1.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 83.204 -20.219 -3.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 84.171 -19.491 -2.169 1.00 0.00 H new ATOM 290 N LYS A 16 83.519 -12.736 -5.861 1.00 0.00 N ATOM 291 CA LYS A 16 84.085 -12.002 -6.986 1.00 0.00 C ATOM 292 C LYS A 16 83.688 -10.531 -6.927 1.00 0.00 C ATOM 293 O LYS A 16 82.607 -10.184 -6.450 1.00 0.00 O ATOM 294 CB LYS A 16 83.602 -12.613 -8.306 1.00 0.00 C ATOM 295 CG LYS A 16 84.247 -11.878 -9.489 1.00 0.00 C ATOM 296 CD LYS A 16 83.781 -12.509 -10.802 1.00 0.00 C ATOM 297 CE LYS A 16 84.441 -11.788 -11.981 1.00 0.00 C ATOM 298 NZ LYS A 16 84.001 -10.364 -12.006 1.00 0.00 N ATOM 0 H LYS A 16 82.607 -12.402 -5.550 1.00 0.00 H new ATOM 0 HA LYS A 16 85.171 -12.072 -6.929 1.00 0.00 H new ATOM 0 HB2 LYS A 16 83.858 -13.672 -8.342 1.00 0.00 H new ATOM 0 HB3 LYS A 16 82.516 -12.545 -8.373 1.00 0.00 H new ATOM 0 HG2 LYS A 16 83.977 -10.822 -9.465 1.00 0.00 H new ATOM 0 HG3 LYS A 16 85.333 -11.931 -9.414 1.00 0.00 H new ATOM 0 HD2 LYS A 16 84.039 -13.568 -10.820 1.00 0.00 H new ATOM 0 HD3 LYS A 16 82.696 -12.443 -10.884 1.00 0.00 H new ATOM 0 HE2 LYS A 16 85.526 -11.842 -11.892 1.00 0.00 H new ATOM 0 HE3 LYS A 16 84.173 -12.279 -12.917 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 84.158 -9.969 -12.955 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 82.989 -10.309 -11.771 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 84.548 -9.819 -11.309 1.00 0.00 H new ATOM 312 N TRP A 17 84.568 -9.675 -7.428 1.00 0.00 N ATOM 313 CA TRP A 17 84.307 -8.241 -7.444 1.00 0.00 C ATOM 314 C TRP A 17 82.978 -7.937 -8.112 1.00 0.00 C ATOM 315 O TRP A 17 82.655 -8.490 -9.164 1.00 0.00 O ATOM 316 CB TRP A 17 85.417 -7.520 -8.203 1.00 0.00 C ATOM 317 CG TRP A 17 85.012 -6.103 -8.426 1.00 0.00 C ATOM 318 CD1 TRP A 17 85.181 -5.096 -7.547 1.00 0.00 C ATOM 319 CD2 TRP A 17 84.349 -5.531 -9.588 1.00 0.00 C ATOM 320 NE1 TRP A 17 84.679 -3.930 -8.101 1.00 0.00 N ATOM 321 CE2 TRP A 17 84.150 -4.149 -9.360 1.00 0.00 C ATOM 322 CE3 TRP A 17 83.912 -6.074 -10.808 1.00 0.00 C ATOM 323 CZ2 TRP A 17 83.533 -3.335 -10.317 1.00 0.00 C ATOM 324 CZ3 TRP A 17 83.292 -5.259 -11.769 1.00 0.00 C ATOM 325 CH2 TRP A 17 83.103 -3.892 -11.523 1.00 0.00 C ATOM 0 H TRP A 17 85.466 -9.947 -7.828 1.00 0.00 H new ATOM 0 HA TRP A 17 84.272 -7.894 -6.411 1.00 0.00 H new ATOM 0 HB2 TRP A 17 86.348 -7.561 -7.637 1.00 0.00 H new ATOM 0 HB3 TRP A 17 85.602 -8.013 -9.157 1.00 0.00 H new ATOM 0 HD1 TRP A 17 85.634 -5.184 -6.570 1.00 0.00 H new ATOM 0 HE1 TRP A 17 84.697 -3.022 -7.637 1.00 0.00 H new ATOM 0 HE3 TRP A 17 84.054 -7.126 -11.008 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 83.390 -2.282 -10.124 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 82.959 -5.688 -12.703 1.00 0.00 H new ATOM 0 HH2 TRP A 17 82.625 -3.270 -12.266 1.00 0.00 H new ATOM 336 N SER A 18 82.219 -7.039 -7.497 1.00 0.00 N ATOM 337 CA SER A 18 80.933 -6.651 -8.048 1.00 0.00 C ATOM 338 C SER A 18 80.486 -5.329 -7.442 1.00 0.00 C ATOM 339 O SER A 18 81.031 -4.878 -6.435 1.00 0.00 O ATOM 340 CB SER A 18 79.884 -7.726 -7.767 1.00 0.00 C ATOM 341 OG SER A 18 79.179 -7.399 -6.578 1.00 0.00 O ATOM 0 H SER A 18 82.470 -6.572 -6.626 1.00 0.00 H new ATOM 0 HA SER A 18 81.039 -6.537 -9.127 1.00 0.00 H new ATOM 0 HB2 SER A 18 79.191 -7.801 -8.605 1.00 0.00 H new ATOM 0 HB3 SER A 18 80.364 -8.699 -7.662 1.00 0.00 H new ATOM 0 HG SER A 18 78.505 -8.087 -6.398 1.00 0.00 H new ATOM 347 N GLU A 19 79.515 -4.703 -8.083 1.00 0.00 N ATOM 348 CA GLU A 19 79.030 -3.412 -7.624 1.00 0.00 C ATOM 349 C GLU A 19 78.695 -3.483 -6.141 1.00 0.00 C ATOM 350 O GLU A 19 78.914 -2.522 -5.402 1.00 0.00 O ATOM 351 CB GLU A 19 77.773 -3.013 -8.403 1.00 0.00 C ATOM 352 CG GLU A 19 78.111 -2.824 -9.887 1.00 0.00 C ATOM 353 CD GLU A 19 77.970 -4.148 -10.631 1.00 0.00 C ATOM 354 OE1 GLU A 19 77.861 -5.170 -9.974 1.00 0.00 O ATOM 355 OE2 GLU A 19 77.974 -4.121 -11.850 1.00 0.00 O ATOM 0 H GLU A 19 79.050 -5.063 -8.916 1.00 0.00 H new ATOM 0 HA GLU A 19 79.810 -2.668 -7.789 1.00 0.00 H new ATOM 0 HB2 GLU A 19 77.007 -3.781 -8.291 1.00 0.00 H new ATOM 0 HB3 GLU A 19 77.361 -2.090 -7.995 1.00 0.00 H new ATOM 0 HG2 GLU A 19 77.448 -2.079 -10.327 1.00 0.00 H new ATOM 0 HG3 GLU A 19 79.128 -2.446 -9.991 1.00 0.00 H new ATOM 362 N GLU A 20 78.180 -4.627 -5.710 1.00 0.00 N ATOM 363 CA GLU A 20 77.833 -4.815 -4.307 1.00 0.00 C ATOM 364 C GLU A 20 79.091 -4.844 -3.440 1.00 0.00 C ATOM 365 O GLU A 20 79.120 -4.275 -2.354 1.00 0.00 O ATOM 366 CB GLU A 20 77.072 -6.128 -4.133 1.00 0.00 C ATOM 367 CG GLU A 20 75.744 -6.051 -4.886 1.00 0.00 C ATOM 368 CD GLU A 20 74.821 -5.041 -4.215 1.00 0.00 C ATOM 369 OE1 GLU A 20 75.079 -4.699 -3.073 1.00 0.00 O ATOM 370 OE2 GLU A 20 73.867 -4.625 -4.853 1.00 0.00 O ATOM 0 H GLU A 20 77.994 -5.433 -6.306 1.00 0.00 H new ATOM 0 HA GLU A 20 77.206 -3.980 -3.994 1.00 0.00 H new ATOM 0 HB2 GLU A 20 77.668 -6.959 -4.510 1.00 0.00 H new ATOM 0 HB3 GLU A 20 76.892 -6.319 -3.075 1.00 0.00 H new ATOM 0 HG2 GLU A 20 75.920 -5.762 -5.922 1.00 0.00 H new ATOM 0 HG3 GLU A 20 75.270 -7.032 -4.905 1.00 0.00 H new ATOM 377 N ILE A 21 80.129 -5.519 -3.927 1.00 0.00 N ATOM 378 CA ILE A 21 81.375 -5.619 -3.170 1.00 0.00 C ATOM 379 C ILE A 21 82.087 -4.277 -3.159 1.00 0.00 C ATOM 380 O ILE A 21 82.382 -3.739 -2.097 1.00 0.00 O ATOM 381 CB ILE A 21 82.290 -6.692 -3.781 1.00 0.00 C ATOM 382 CG1 ILE A 21 81.452 -7.919 -4.152 1.00 0.00 C ATOM 383 CG2 ILE A 21 83.371 -7.099 -2.770 1.00 0.00 C ATOM 384 CD1 ILE A 21 80.569 -8.327 -2.971 1.00 0.00 C ATOM 0 H ILE A 21 80.135 -5.998 -4.828 1.00 0.00 H new ATOM 0 HA ILE A 21 81.137 -5.905 -2.146 1.00 0.00 H new ATOM 0 HB ILE A 21 82.770 -6.289 -4.673 1.00 0.00 H new ATOM 0 HG12 ILE A 21 80.832 -7.697 -5.020 1.00 0.00 H new ATOM 0 HG13 ILE A 21 82.106 -8.745 -4.430 1.00 0.00 H new ATOM 0 HG21 ILE A 21 84.015 -7.860 -3.212 1.00 0.00 H new ATOM 0 HG22 ILE A 21 83.969 -6.227 -2.506 1.00 0.00 H new ATOM 0 HG23 ILE A 21 82.898 -7.500 -1.873 1.00 0.00 H new ATOM 0 HD11 ILE A 21 79.977 -9.200 -3.244 1.00 0.00 H new ATOM 0 HD12 ILE A 21 81.197 -8.568 -2.113 1.00 0.00 H new ATOM 0 HD13 ILE A 21 79.903 -7.503 -2.713 1.00 0.00 H new ATOM 396 N GLU A 22 82.396 -3.758 -4.341 1.00 0.00 N ATOM 397 CA GLU A 22 83.111 -2.498 -4.435 1.00 0.00 C ATOM 398 C GLU A 22 82.523 -1.500 -3.455 1.00 0.00 C ATOM 399 O GLU A 22 83.253 -0.863 -2.699 1.00 0.00 O ATOM 400 CB GLU A 22 82.975 -1.948 -5.854 1.00 0.00 C ATOM 401 CG GLU A 22 83.815 -0.678 -6.009 1.00 0.00 C ATOM 402 CD GLU A 22 83.687 -0.152 -7.435 1.00 0.00 C ATOM 403 OE1 GLU A 22 82.979 -0.774 -8.213 1.00 0.00 O ATOM 404 OE2 GLU A 22 84.296 0.861 -7.728 1.00 0.00 O ATOM 0 H GLU A 22 82.164 -4.187 -5.237 1.00 0.00 H new ATOM 0 HA GLU A 22 84.163 -2.661 -4.198 1.00 0.00 H new ATOM 0 HB2 GLU A 22 83.299 -2.698 -6.576 1.00 0.00 H new ATOM 0 HB3 GLU A 22 81.929 -1.730 -6.069 1.00 0.00 H new ATOM 0 HG2 GLU A 22 83.482 0.080 -5.300 1.00 0.00 H new ATOM 0 HG3 GLU A 22 84.860 -0.890 -5.781 1.00 0.00 H new ATOM 411 N ASN A 23 81.204 -1.377 -3.462 1.00 0.00 N ATOM 412 CA ASN A 23 80.540 -0.457 -2.551 1.00 0.00 C ATOM 413 C ASN A 23 80.808 -0.846 -1.098 1.00 0.00 C ATOM 414 O ASN A 23 81.157 0.002 -0.277 1.00 0.00 O ATOM 415 CB ASN A 23 79.040 -0.472 -2.796 1.00 0.00 C ATOM 416 CG ASN A 23 78.349 0.352 -1.716 1.00 0.00 C ATOM 417 OD1 ASN A 23 78.100 -0.200 -0.562 1.00 0.00 O flip ATOM 418 ND2 ASN A 23 78.057 1.536 -1.914 1.00 0.00 N flip ATOM 0 H ASN A 23 80.579 -1.895 -4.080 1.00 0.00 H new ATOM 0 HA ASN A 23 80.936 0.542 -2.733 1.00 0.00 H new ATOM 0 HB2 ASN A 23 78.816 -0.063 -3.781 1.00 0.00 H new ATOM 0 HB3 ASN A 23 78.667 -1.496 -2.783 1.00 0.00 H new ATOM 0 HD21 ASN A 23 78.253 1.965 -2.818 1.00 0.00 H new ATOM 0 HD22 ASN A 23 77.620 2.084 -1.173 1.00 0.00 H new ATOM 425 N LEU A 24 80.624 -2.124 -0.781 1.00 0.00 N ATOM 426 CA LEU A 24 80.836 -2.590 0.582 1.00 0.00 C ATOM 427 C LEU A 24 82.257 -2.312 1.023 1.00 0.00 C ATOM 428 O LEU A 24 82.477 -1.913 2.157 1.00 0.00 O ATOM 429 CB LEU A 24 80.547 -4.087 0.676 1.00 0.00 C ATOM 430 CG LEU A 24 79.035 -4.317 0.615 1.00 0.00 C ATOM 431 CD1 LEU A 24 78.764 -5.791 0.324 1.00 0.00 C ATOM 432 CD2 LEU A 24 78.389 -3.956 1.962 1.00 0.00 C ATOM 0 H LEU A 24 80.333 -2.846 -1.440 1.00 0.00 H new ATOM 0 HA LEU A 24 80.154 -2.052 1.241 1.00 0.00 H new ATOM 0 HB2 LEU A 24 81.040 -4.616 -0.140 1.00 0.00 H new ATOM 0 HB3 LEU A 24 80.950 -4.489 1.606 1.00 0.00 H new ATOM 0 HG LEU A 24 78.613 -3.689 -0.170 1.00 0.00 H new ATOM 0 HD11 LEU A 24 77.688 -5.961 0.279 1.00 0.00 H new ATOM 0 HD12 LEU A 24 79.214 -6.062 -0.631 1.00 0.00 H new ATOM 0 HD13 LEU A 24 79.196 -6.403 1.116 1.00 0.00 H new ATOM 0 HD21 LEU A 24 77.313 -4.124 1.906 1.00 0.00 H new ATOM 0 HD22 LEU A 24 78.813 -4.581 2.748 1.00 0.00 H new ATOM 0 HD23 LEU A 24 78.581 -2.907 2.188 1.00 0.00 H new ATOM 444 N TYR A 25 83.217 -2.493 0.127 1.00 0.00 N ATOM 445 CA TYR A 25 84.604 -2.225 0.465 1.00 0.00 C ATOM 446 C TYR A 25 84.764 -0.777 0.908 1.00 0.00 C ATOM 447 O TYR A 25 85.363 -0.502 1.945 1.00 0.00 O ATOM 448 CB TYR A 25 85.477 -2.469 -0.763 1.00 0.00 C ATOM 449 CG TYR A 25 86.850 -1.871 -0.553 1.00 0.00 C ATOM 450 CD1 TYR A 25 87.064 -0.521 -0.846 1.00 0.00 C ATOM 451 CD2 TYR A 25 87.903 -2.653 -0.061 1.00 0.00 C ATOM 452 CE1 TYR A 25 88.328 0.048 -0.651 1.00 0.00 C ATOM 453 CE2 TYR A 25 89.166 -2.084 0.132 1.00 0.00 C ATOM 454 CZ TYR A 25 89.378 -0.734 -0.163 1.00 0.00 C ATOM 455 OH TYR A 25 90.625 -0.174 0.021 1.00 0.00 O ATOM 0 H TYR A 25 83.063 -2.820 -0.827 1.00 0.00 H new ATOM 0 HA TYR A 25 84.907 -2.885 1.278 1.00 0.00 H new ATOM 0 HB2 TYR A 25 85.563 -3.539 -0.951 1.00 0.00 H new ATOM 0 HB3 TYR A 25 85.011 -2.028 -1.644 1.00 0.00 H new ATOM 0 HD1 TYR A 25 86.253 0.084 -1.223 1.00 0.00 H new ATOM 0 HD2 TYR A 25 87.740 -3.695 0.169 1.00 0.00 H new ATOM 0 HE1 TYR A 25 88.492 1.091 -0.878 1.00 0.00 H new ATOM 0 HE2 TYR A 25 89.978 -2.688 0.509 1.00 0.00 H new ATOM 0 HH TYR A 25 91.241 -0.853 0.367 1.00 0.00 H new ATOM 465 N ARG A 26 84.234 0.147 0.111 1.00 0.00 N ATOM 466 CA ARG A 26 84.350 1.561 0.441 1.00 0.00 C ATOM 467 C ARG A 26 83.649 1.852 1.763 1.00 0.00 C ATOM 468 O ARG A 26 84.195 2.540 2.625 1.00 0.00 O ATOM 469 CB ARG A 26 83.714 2.397 -0.668 1.00 0.00 C ATOM 470 CG ARG A 26 84.475 2.165 -1.976 1.00 0.00 C ATOM 471 CD ARG A 26 83.871 3.037 -3.079 1.00 0.00 C ATOM 472 NE ARG A 26 84.423 2.663 -4.376 1.00 0.00 N ATOM 473 CZ ARG A 26 84.171 3.385 -5.462 1.00 0.00 C ATOM 474 NH1 ARG A 26 83.449 4.468 -5.373 1.00 0.00 N ATOM 475 NH2 ARG A 26 84.649 3.011 -6.618 1.00 0.00 N ATOM 0 H ARG A 26 83.729 -0.054 -0.752 1.00 0.00 H new ATOM 0 HA ARG A 26 85.405 1.818 0.535 1.00 0.00 H new ATOM 0 HB2 ARG A 26 82.666 2.123 -0.790 1.00 0.00 H new ATOM 0 HB3 ARG A 26 83.738 3.454 -0.402 1.00 0.00 H new ATOM 0 HG2 ARG A 26 85.530 2.406 -1.843 1.00 0.00 H new ATOM 0 HG3 ARG A 26 84.422 1.114 -2.259 1.00 0.00 H new ATOM 0 HD2 ARG A 26 82.787 2.923 -3.090 1.00 0.00 H new ATOM 0 HD3 ARG A 26 84.079 4.088 -2.877 1.00 0.00 H new ATOM 0 HE ARG A 26 85.012 1.834 -4.450 1.00 0.00 H new ATOM 0 HH11 ARG A 26 83.078 4.761 -4.469 1.00 0.00 H new ATOM 0 HH12 ARG A 26 83.256 5.022 -6.207 1.00 0.00 H new ATOM 0 HH21 ARG A 26 85.215 2.165 -6.686 1.00 0.00 H new ATOM 0 HH22 ARG A 26 84.456 3.565 -7.453 1.00 0.00 H new ATOM 489 N PHE A 27 82.437 1.322 1.925 1.00 0.00 N ATOM 490 CA PHE A 27 81.682 1.540 3.154 1.00 0.00 C ATOM 491 C PHE A 27 82.409 0.942 4.356 1.00 0.00 C ATOM 492 O PHE A 27 82.584 1.602 5.381 1.00 0.00 O ATOM 493 CB PHE A 27 80.300 0.903 3.007 1.00 0.00 C ATOM 494 CG PHE A 27 79.299 1.958 2.619 1.00 0.00 C ATOM 495 CD1 PHE A 27 79.438 2.661 1.414 1.00 0.00 C ATOM 496 CD2 PHE A 27 78.238 2.244 3.473 1.00 0.00 C ATOM 497 CE1 PHE A 27 78.508 3.652 1.075 1.00 0.00 C ATOM 498 CE2 PHE A 27 77.320 3.228 3.134 1.00 0.00 C ATOM 499 CZ PHE A 27 77.452 3.939 1.940 1.00 0.00 C ATOM 0 H PHE A 27 81.963 0.746 1.229 1.00 0.00 H new ATOM 0 HA PHE A 27 81.582 2.612 3.323 1.00 0.00 H new ATOM 0 HB2 PHE A 27 80.328 0.118 2.251 1.00 0.00 H new ATOM 0 HB3 PHE A 27 80.003 0.432 3.944 1.00 0.00 H new ATOM 0 HD1 PHE A 27 80.260 2.439 0.749 1.00 0.00 H new ATOM 0 HD2 PHE A 27 78.129 1.700 4.400 1.00 0.00 H new ATOM 0 HE1 PHE A 27 78.608 4.193 0.146 1.00 0.00 H new ATOM 0 HE2 PHE A 27 76.497 3.445 3.799 1.00 0.00 H new ATOM 0 HZ PHE A 27 76.739 4.709 1.687 1.00 0.00 H new ATOM 509 N GLN A 28 82.807 -0.318 4.229 1.00 0.00 N ATOM 510 CA GLN A 28 83.487 -1.006 5.315 1.00 0.00 C ATOM 511 C GLN A 28 84.731 -0.231 5.717 1.00 0.00 C ATOM 512 O GLN A 28 85.018 -0.086 6.904 1.00 0.00 O ATOM 513 CB GLN A 28 83.884 -2.416 4.870 1.00 0.00 C ATOM 514 CG GLN A 28 82.646 -3.315 4.792 1.00 0.00 C ATOM 515 CD GLN A 28 83.018 -4.643 4.144 1.00 0.00 C ATOM 516 OE1 GLN A 28 84.181 -5.047 4.171 1.00 0.00 O ATOM 517 NE2 GLN A 28 82.092 -5.352 3.560 1.00 0.00 N ATOM 0 H GLN A 28 82.671 -0.880 3.389 1.00 0.00 H new ATOM 0 HA GLN A 28 82.813 -1.074 6.169 1.00 0.00 H new ATOM 0 HB2 GLN A 28 84.373 -2.374 3.897 1.00 0.00 H new ATOM 0 HB3 GLN A 28 84.604 -2.837 5.571 1.00 0.00 H new ATOM 0 HG2 GLN A 28 82.245 -3.486 5.791 1.00 0.00 H new ATOM 0 HG3 GLN A 28 81.863 -2.824 4.214 1.00 0.00 H new ATOM 0 HE21 GLN A 28 81.129 -5.015 3.539 1.00 0.00 H new ATOM 0 HE22 GLN A 28 82.331 -6.243 3.125 1.00 0.00 H new ATOM 526 N GLN A 29 85.443 0.298 4.732 1.00 0.00 N ATOM 527 CA GLN A 29 86.633 1.089 5.018 1.00 0.00 C ATOM 528 C GLN A 29 86.259 2.330 5.819 1.00 0.00 C ATOM 529 O GLN A 29 86.964 2.712 6.752 1.00 0.00 O ATOM 530 CB GLN A 29 87.309 1.501 3.713 1.00 0.00 C ATOM 531 CG GLN A 29 87.990 0.285 3.084 1.00 0.00 C ATOM 532 CD GLN A 29 89.290 -0.014 3.822 1.00 0.00 C ATOM 533 OE1 GLN A 29 89.769 0.815 4.596 1.00 0.00 O ATOM 534 NE2 GLN A 29 89.896 -1.150 3.625 1.00 0.00 N ATOM 0 H GLN A 29 85.223 0.197 3.741 1.00 0.00 H new ATOM 0 HA GLN A 29 87.324 0.484 5.605 1.00 0.00 H new ATOM 0 HB2 GLN A 29 86.572 1.915 3.025 1.00 0.00 H new ATOM 0 HB3 GLN A 29 88.043 2.284 3.903 1.00 0.00 H new ATOM 0 HG2 GLN A 29 87.327 -0.579 3.130 1.00 0.00 H new ATOM 0 HG3 GLN A 29 88.194 0.475 2.030 1.00 0.00 H new ATOM 0 HE21 GLN A 29 89.498 -1.836 2.983 1.00 0.00 H new ATOM 0 HE22 GLN A 29 90.769 -1.354 4.112 1.00 0.00 H new ATOM 543 N ALA A 30 85.144 2.952 5.455 1.00 0.00 N ATOM 544 CA ALA A 30 84.687 4.143 6.154 1.00 0.00 C ATOM 545 C ALA A 30 84.141 3.782 7.536 1.00 0.00 C ATOM 546 O ALA A 30 84.047 4.636 8.417 1.00 0.00 O ATOM 547 CB ALA A 30 83.620 4.857 5.321 1.00 0.00 C ATOM 0 H ALA A 30 84.545 2.653 4.686 1.00 0.00 H new ATOM 0 HA ALA A 30 85.533 4.816 6.292 1.00 0.00 H new ATOM 0 HB1 ALA A 30 83.282 5.748 5.850 1.00 0.00 H new ATOM 0 HB2 ALA A 30 84.042 5.145 4.358 1.00 0.00 H new ATOM 0 HB3 ALA A 30 82.775 4.187 5.161 1.00 0.00 H new ATOM 553 N GLY A 31 83.781 2.514 7.721 1.00 0.00 N ATOM 554 CA GLY A 31 83.248 2.059 9.001 1.00 0.00 C ATOM 555 C GLY A 31 81.749 1.809 8.916 1.00 0.00 C ATOM 556 O GLY A 31 81.091 1.578 9.930 1.00 0.00 O ATOM 0 H GLY A 31 83.848 1.789 7.007 1.00 0.00 H new ATOM 0 HA2 GLY A 31 83.755 1.143 9.304 1.00 0.00 H new ATOM 0 HA3 GLY A 31 83.452 2.805 9.769 1.00 0.00 H new ATOM 560 N TYR A 32 81.213 1.859 7.703 1.00 0.00 N ATOM 561 CA TYR A 32 79.788 1.637 7.496 1.00 0.00 C ATOM 562 C TYR A 32 79.544 0.300 6.811 1.00 0.00 C ATOM 563 O TYR A 32 80.384 -0.193 6.057 1.00 0.00 O ATOM 564 CB TYR A 32 79.209 2.769 6.643 1.00 0.00 C ATOM 565 CG TYR A 32 79.473 4.133 7.275 1.00 0.00 C ATOM 566 CD1 TYR A 32 79.423 4.327 8.671 1.00 0.00 C ATOM 567 CD2 TYR A 32 79.775 5.217 6.441 1.00 0.00 C ATOM 568 CE1 TYR A 32 79.676 5.587 9.211 1.00 0.00 C ATOM 569 CE2 TYR A 32 80.028 6.477 6.991 1.00 0.00 C ATOM 570 CZ TYR A 32 79.980 6.661 8.376 1.00 0.00 C ATOM 571 OH TYR A 32 80.235 7.902 8.920 1.00 0.00 O ATOM 0 H TYR A 32 81.741 2.050 6.851 1.00 0.00 H new ATOM 0 HA TYR A 32 79.294 1.622 8.468 1.00 0.00 H new ATOM 0 HB2 TYR A 32 79.649 2.737 5.646 1.00 0.00 H new ATOM 0 HB3 TYR A 32 78.135 2.624 6.523 1.00 0.00 H new ATOM 0 HD1 TYR A 32 79.188 3.498 9.323 1.00 0.00 H new ATOM 0 HD2 TYR A 32 79.812 5.079 5.371 1.00 0.00 H new ATOM 0 HE1 TYR A 32 79.636 5.732 10.281 1.00 0.00 H new ATOM 0 HE2 TYR A 32 80.261 7.310 6.345 1.00 0.00 H new ATOM 0 HH TYR A 32 80.304 8.566 8.202 1.00 0.00 H new ATOM 581 N ARG A 33 78.391 -0.289 7.119 1.00 0.00 N ATOM 582 CA ARG A 33 78.028 -1.581 6.556 1.00 0.00 C ATOM 583 C ARG A 33 77.306 -1.407 5.222 1.00 0.00 C ATOM 584 O ARG A 33 77.504 -2.186 4.290 1.00 0.00 O ATOM 585 CB ARG A 33 77.129 -2.351 7.531 1.00 0.00 C ATOM 586 CG ARG A 33 76.583 -1.399 8.605 1.00 0.00 C ATOM 587 CD ARG A 33 77.702 -0.962 9.567 1.00 0.00 C ATOM 588 NE ARG A 33 78.983 -1.524 9.153 1.00 0.00 N ATOM 589 CZ ARG A 33 80.038 -1.507 9.956 1.00 0.00 C ATOM 590 NH1 ARG A 33 79.947 -0.983 11.145 1.00 0.00 N ATOM 591 NH2 ARG A 33 81.165 -2.020 9.550 1.00 0.00 N ATOM 0 H ARG A 33 77.697 0.108 7.752 1.00 0.00 H new ATOM 0 HA ARG A 33 78.944 -2.147 6.387 1.00 0.00 H new ATOM 0 HB2 ARG A 33 76.304 -2.814 6.990 1.00 0.00 H new ATOM 0 HB3 ARG A 33 77.694 -3.157 8.000 1.00 0.00 H new ATOM 0 HG2 ARG A 33 76.142 -0.522 8.130 1.00 0.00 H new ATOM 0 HG3 ARG A 33 75.788 -1.892 9.164 1.00 0.00 H new ATOM 0 HD2 ARG A 33 77.766 0.126 9.589 1.00 0.00 H new ATOM 0 HD3 ARG A 33 77.466 -1.288 10.580 1.00 0.00 H new ATOM 0 HE ARG A 33 79.069 -1.939 8.225 1.00 0.00 H new ATOM 0 HH11 ARG A 33 79.063 -0.584 11.460 1.00 0.00 H new ATOM 0 HH12 ARG A 33 80.760 -0.971 11.761 1.00 0.00 H new ATOM 0 HH21 ARG A 33 81.232 -2.432 8.619 1.00 0.00 H new ATOM 0 HH22 ARG A 33 81.980 -2.010 10.163 1.00 0.00 H new ATOM 605 N ASP A 34 76.467 -0.380 5.143 1.00 0.00 N ATOM 606 CA ASP A 34 75.712 -0.105 3.925 1.00 0.00 C ATOM 607 C ASP A 34 75.124 1.302 3.954 1.00 0.00 C ATOM 608 O ASP A 34 75.232 2.007 4.965 1.00 0.00 O ATOM 609 CB ASP A 34 74.594 -1.134 3.776 1.00 0.00 C ATOM 610 CG ASP A 34 73.694 -1.100 5.006 1.00 0.00 C ATOM 611 OD1 ASP A 34 74.007 -0.360 5.923 1.00 0.00 O ATOM 612 OD2 ASP A 34 72.706 -1.818 5.016 1.00 0.00 O ATOM 0 H ASP A 34 76.292 0.275 5.906 1.00 0.00 H new ATOM 0 HA ASP A 34 76.388 -0.173 3.073 1.00 0.00 H new ATOM 0 HB2 ASP A 34 74.010 -0.923 2.880 1.00 0.00 H new ATOM 0 HB3 ASP A 34 75.018 -2.130 3.652 1.00 0.00 H new ATOM 617 N GLU A 35 74.514 1.704 2.834 1.00 0.00 N ATOM 618 CA GLU A 35 73.934 3.038 2.709 1.00 0.00 C ATOM 619 C GLU A 35 73.115 3.402 3.934 1.00 0.00 C ATOM 620 O GLU A 35 73.061 4.567 4.329 1.00 0.00 O ATOM 621 CB GLU A 35 73.028 3.095 1.485 1.00 0.00 C ATOM 622 CG GLU A 35 73.824 2.694 0.244 1.00 0.00 C ATOM 623 CD GLU A 35 73.608 1.214 -0.053 1.00 0.00 C ATOM 624 OE1 GLU A 35 73.288 0.485 0.872 1.00 0.00 O ATOM 625 OE2 GLU A 35 73.758 0.832 -1.200 1.00 0.00 O ATOM 0 H GLU A 35 74.411 1.122 2.003 1.00 0.00 H new ATOM 0 HA GLU A 35 74.755 3.748 2.609 1.00 0.00 H new ATOM 0 HB2 GLU A 35 72.178 2.426 1.617 1.00 0.00 H new ATOM 0 HB3 GLU A 35 72.626 4.101 1.363 1.00 0.00 H new ATOM 0 HG2 GLU A 35 73.511 3.295 -0.610 1.00 0.00 H new ATOM 0 HG3 GLU A 35 74.884 2.892 0.401 1.00 0.00 H new ATOM 632 N ILE A 36 72.451 2.418 4.506 1.00 0.00 N ATOM 633 CA ILE A 36 71.601 2.663 5.660 1.00 0.00 C ATOM 634 C ILE A 36 72.371 3.416 6.747 1.00 0.00 C ATOM 635 O ILE A 36 71.899 4.425 7.275 1.00 0.00 O ATOM 636 CB ILE A 36 71.130 1.321 6.228 1.00 0.00 C ATOM 637 CG1 ILE A 36 70.466 0.487 5.116 1.00 0.00 C ATOM 638 CG2 ILE A 36 70.132 1.554 7.363 1.00 0.00 C ATOM 639 CD1 ILE A 36 69.334 1.273 4.446 1.00 0.00 C ATOM 0 H ILE A 36 72.481 1.447 4.196 1.00 0.00 H new ATOM 0 HA ILE A 36 70.749 3.266 5.346 1.00 0.00 H new ATOM 0 HB ILE A 36 71.992 0.780 6.617 1.00 0.00 H new ATOM 0 HG12 ILE A 36 71.211 0.208 4.371 1.00 0.00 H new ATOM 0 HG13 ILE A 36 70.073 -0.439 5.536 1.00 0.00 H new ATOM 0 HG21 ILE A 36 69.803 0.594 7.761 1.00 0.00 H new ATOM 0 HG22 ILE A 36 70.610 2.130 8.155 1.00 0.00 H new ATOM 0 HG23 ILE A 36 69.271 2.104 6.983 1.00 0.00 H new ATOM 0 HD11 ILE A 36 68.881 0.663 3.664 1.00 0.00 H new ATOM 0 HD12 ILE A 36 68.579 1.529 5.190 1.00 0.00 H new ATOM 0 HD13 ILE A 36 69.736 2.186 4.007 1.00 0.00 H new ATOM 651 N GLU A 37 73.556 2.919 7.080 1.00 0.00 N ATOM 652 CA GLU A 37 74.377 3.545 8.113 1.00 0.00 C ATOM 653 C GLU A 37 74.878 4.908 7.649 1.00 0.00 C ATOM 654 O GLU A 37 74.885 5.872 8.416 1.00 0.00 O ATOM 655 CB GLU A 37 75.573 2.650 8.452 1.00 0.00 C ATOM 656 CG GLU A 37 75.917 2.791 9.935 1.00 0.00 C ATOM 657 CD GLU A 37 76.304 4.228 10.243 1.00 0.00 C ATOM 658 OE1 GLU A 37 76.941 4.836 9.401 1.00 0.00 O ATOM 659 OE2 GLU A 37 75.956 4.700 11.312 1.00 0.00 O ATOM 0 H GLU A 37 73.969 2.090 6.654 1.00 0.00 H new ATOM 0 HA GLU A 37 73.761 3.679 9.002 1.00 0.00 H new ATOM 0 HB2 GLU A 37 75.339 1.611 8.220 1.00 0.00 H new ATOM 0 HB3 GLU A 37 76.432 2.928 7.841 1.00 0.00 H new ATOM 0 HG2 GLU A 37 75.063 2.497 10.545 1.00 0.00 H new ATOM 0 HG3 GLU A 37 76.738 2.121 10.192 1.00 0.00 H new ATOM 666 N TYR A 38 75.291 4.986 6.388 1.00 0.00 N ATOM 667 CA TYR A 38 75.783 6.248 5.836 1.00 0.00 C ATOM 668 C TYR A 38 74.727 7.327 5.906 1.00 0.00 C ATOM 669 O TYR A 38 75.015 8.452 6.313 1.00 0.00 O ATOM 670 CB TYR A 38 76.205 6.071 4.389 1.00 0.00 C ATOM 671 CG TYR A 38 76.437 7.415 3.751 1.00 0.00 C ATOM 672 CD1 TYR A 38 77.546 8.179 4.120 1.00 0.00 C ATOM 673 CD2 TYR A 38 75.550 7.890 2.776 1.00 0.00 C ATOM 674 CE1 TYR A 38 77.771 9.423 3.515 1.00 0.00 C ATOM 675 CE2 TYR A 38 75.773 9.131 2.174 1.00 0.00 C ATOM 676 CZ TYR A 38 76.883 9.898 2.543 1.00 0.00 C ATOM 677 OH TYR A 38 77.105 11.120 1.943 1.00 0.00 O ATOM 0 H TYR A 38 75.296 4.203 5.735 1.00 0.00 H new ATOM 0 HA TYR A 38 76.641 6.549 6.437 1.00 0.00 H new ATOM 0 HB2 TYR A 38 77.115 5.473 4.338 1.00 0.00 H new ATOM 0 HB3 TYR A 38 75.435 5.527 3.841 1.00 0.00 H new ATOM 0 HD1 TYR A 38 78.230 7.812 4.871 1.00 0.00 H new ATOM 0 HD2 TYR A 38 74.694 7.297 2.490 1.00 0.00 H new ATOM 0 HE1 TYR A 38 78.629 10.015 3.799 1.00 0.00 H new ATOM 0 HE2 TYR A 38 75.088 9.498 1.424 1.00 0.00 H new ATOM 0 HH TYR A 38 76.395 11.298 1.291 1.00 0.00 H new ATOM 687 N LYS A 39 73.507 7.003 5.489 1.00 0.00 N ATOM 688 CA LYS A 39 72.442 7.985 5.504 1.00 0.00 C ATOM 689 C LYS A 39 72.196 8.501 6.909 1.00 0.00 C ATOM 690 O LYS A 39 71.987 9.696 7.105 1.00 0.00 O ATOM 691 CB LYS A 39 71.153 7.364 4.963 1.00 0.00 C ATOM 692 CG LYS A 39 71.264 7.174 3.452 1.00 0.00 C ATOM 693 CD LYS A 39 69.977 6.540 2.927 1.00 0.00 C ATOM 694 CE LYS A 39 69.961 6.598 1.399 1.00 0.00 C ATOM 695 NZ LYS A 39 71.119 5.840 0.855 1.00 0.00 N ATOM 0 H LYS A 39 73.239 6.082 5.143 1.00 0.00 H new ATOM 0 HA LYS A 39 72.745 8.820 4.873 1.00 0.00 H new ATOM 0 HB2 LYS A 39 70.970 6.405 5.447 1.00 0.00 H new ATOM 0 HB3 LYS A 39 70.304 8.006 5.196 1.00 0.00 H new ATOM 0 HG2 LYS A 39 71.435 8.134 2.965 1.00 0.00 H new ATOM 0 HG3 LYS A 39 72.118 6.540 3.215 1.00 0.00 H new ATOM 0 HD2 LYS A 39 69.907 5.505 3.262 1.00 0.00 H new ATOM 0 HD3 LYS A 39 69.111 7.065 3.330 1.00 0.00 H new ATOM 0 HE2 LYS A 39 69.029 6.179 1.020 1.00 0.00 H new ATOM 0 HE3 LYS A 39 70.003 7.635 1.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 71.153 5.952 -0.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 71.999 6.205 1.272 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 71.016 4.832 1.090 1.00 0.00 H new ATOM 709 N GLN A 40 72.208 7.603 7.885 1.00 0.00 N ATOM 710 CA GLN A 40 71.968 8.011 9.263 1.00 0.00 C ATOM 711 C GLN A 40 73.037 8.994 9.728 1.00 0.00 C ATOM 712 O GLN A 40 72.730 9.998 10.370 1.00 0.00 O ATOM 713 CB GLN A 40 71.977 6.781 10.174 1.00 0.00 C ATOM 714 CG GLN A 40 70.742 5.918 9.898 1.00 0.00 C ATOM 715 CD GLN A 40 69.477 6.655 10.324 1.00 0.00 C ATOM 716 OE1 GLN A 40 69.371 7.098 11.468 1.00 0.00 O ATOM 717 NE2 GLN A 40 68.507 6.819 9.467 1.00 0.00 N ATOM 0 H GLN A 40 72.378 6.606 7.753 1.00 0.00 H new ATOM 0 HA GLN A 40 70.996 8.501 9.314 1.00 0.00 H new ATOM 0 HB2 GLN A 40 72.883 6.199 10.005 1.00 0.00 H new ATOM 0 HB3 GLN A 40 71.988 7.092 11.219 1.00 0.00 H new ATOM 0 HG2 GLN A 40 70.690 5.675 8.837 1.00 0.00 H new ATOM 0 HG3 GLN A 40 70.821 4.974 10.438 1.00 0.00 H new ATOM 0 HE21 GLN A 40 68.596 6.452 8.520 1.00 0.00 H new ATOM 0 HE22 GLN A 40 67.660 7.315 9.744 1.00 0.00 H new ATOM 726 N VAL A 41 74.288 8.713 9.389 1.00 0.00 N ATOM 727 CA VAL A 41 75.389 9.585 9.787 1.00 0.00 C ATOM 728 C VAL A 41 75.232 10.976 9.193 1.00 0.00 C ATOM 729 O VAL A 41 75.427 11.979 9.879 1.00 0.00 O ATOM 730 CB VAL A 41 76.712 8.988 9.322 1.00 0.00 C ATOM 731 CG1 VAL A 41 77.836 10.001 9.545 1.00 0.00 C ATOM 732 CG2 VAL A 41 76.999 7.720 10.115 1.00 0.00 C ATOM 0 H VAL A 41 74.566 7.897 8.845 1.00 0.00 H new ATOM 0 HA VAL A 41 75.377 9.668 10.874 1.00 0.00 H new ATOM 0 HB VAL A 41 76.652 8.746 8.261 1.00 0.00 H new ATOM 0 HG11 VAL A 41 78.782 9.574 9.212 1.00 0.00 H new ATOM 0 HG12 VAL A 41 77.627 10.907 8.976 1.00 0.00 H new ATOM 0 HG13 VAL A 41 77.901 10.245 10.605 1.00 0.00 H new ATOM 0 HG21 VAL A 41 77.945 7.291 9.785 1.00 0.00 H new ATOM 0 HG22 VAL A 41 77.061 7.961 11.176 1.00 0.00 H new ATOM 0 HG23 VAL A 41 76.197 7.000 9.952 1.00 0.00 H new ATOM 742 N LYS A 42 74.889 11.029 7.915 1.00 0.00 N ATOM 743 CA LYS A 42 74.723 12.306 7.238 1.00 0.00 C ATOM 744 C LYS A 42 73.264 12.741 7.265 1.00 0.00 C ATOM 745 O LYS A 42 72.911 13.783 6.717 1.00 0.00 O ATOM 746 CB LYS A 42 75.200 12.192 5.791 1.00 0.00 C ATOM 747 CG LYS A 42 76.649 11.697 5.743 1.00 0.00 C ATOM 748 CD LYS A 42 77.582 12.710 6.410 1.00 0.00 C ATOM 749 CE LYS A 42 79.013 12.453 5.943 1.00 0.00 C ATOM 750 NZ LYS A 42 79.088 12.634 4.467 1.00 0.00 N ATOM 0 H LYS A 42 74.721 10.210 7.330 1.00 0.00 H new ATOM 0 HA LYS A 42 75.320 13.054 7.759 1.00 0.00 H new ATOM 0 HB2 LYS A 42 74.556 11.505 5.242 1.00 0.00 H new ATOM 0 HB3 LYS A 42 75.124 13.162 5.299 1.00 0.00 H new ATOM 0 HG2 LYS A 42 76.728 10.734 6.247 1.00 0.00 H new ATOM 0 HG3 LYS A 42 76.952 11.541 4.708 1.00 0.00 H new ATOM 0 HD2 LYS A 42 77.279 13.725 6.154 1.00 0.00 H new ATOM 0 HD3 LYS A 42 77.519 12.622 7.495 1.00 0.00 H new ATOM 0 HE2 LYS A 42 79.699 13.139 6.440 1.00 0.00 H new ATOM 0 HE3 LYS A 42 79.320 11.443 6.213 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 79.384 11.741 4.022 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 78.153 12.909 4.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 79.780 13.378 4.243 1.00 0.00 H new ATOM 764 N GLN A 43 72.418 11.946 7.916 1.00 0.00 N ATOM 765 CA GLN A 43 71.005 12.279 8.012 1.00 0.00 C ATOM 766 C GLN A 43 70.456 12.713 6.654 1.00 0.00 C ATOM 767 O GLN A 43 69.830 13.766 6.538 1.00 0.00 O ATOM 768 CB GLN A 43 70.807 13.403 9.029 1.00 0.00 C ATOM 769 CG GLN A 43 71.129 12.879 10.430 1.00 0.00 C ATOM 770 CD GLN A 43 71.139 14.031 11.428 1.00 0.00 C ATOM 771 OE1 GLN A 43 71.456 15.163 11.066 1.00 0.00 O ATOM 772 NE2 GLN A 43 70.807 13.807 12.669 1.00 0.00 N ATOM 0 H GLN A 43 72.685 11.077 8.379 1.00 0.00 H new ATOM 0 HA GLN A 43 70.463 11.391 8.337 1.00 0.00 H new ATOM 0 HB2 GLN A 43 71.453 14.247 8.786 1.00 0.00 H new ATOM 0 HB3 GLN A 43 69.780 13.767 8.991 1.00 0.00 H new ATOM 0 HG2 GLN A 43 70.390 12.135 10.728 1.00 0.00 H new ATOM 0 HG3 GLN A 43 72.099 12.381 10.427 1.00 0.00 H new ATOM 0 HE21 GLN A 43 70.545 12.867 12.965 1.00 0.00 H new ATOM 0 HE22 GLN A 43 70.810 14.572 13.344 1.00 0.00 H new ATOM 781 N VAL A 44 70.698 11.898 5.631 1.00 0.00 N ATOM 782 CA VAL A 44 70.227 12.205 4.281 1.00 0.00 C ATOM 783 C VAL A 44 69.515 11.001 3.679 1.00 0.00 C ATOM 784 O VAL A 44 69.365 9.971 4.331 1.00 0.00 O ATOM 785 CB VAL A 44 71.396 12.600 3.382 1.00 0.00 C ATOM 786 CG1 VAL A 44 72.092 13.834 3.954 1.00 0.00 C ATOM 787 CG2 VAL A 44 72.389 11.442 3.310 1.00 0.00 C ATOM 0 H VAL A 44 71.216 11.023 5.709 1.00 0.00 H new ATOM 0 HA VAL A 44 69.529 13.040 4.350 1.00 0.00 H new ATOM 0 HB VAL A 44 71.025 12.828 2.383 1.00 0.00 H new ATOM 0 HG11 VAL A 44 72.926 14.113 3.310 1.00 0.00 H new ATOM 0 HG12 VAL A 44 71.383 14.660 4.007 1.00 0.00 H new ATOM 0 HG13 VAL A 44 72.465 13.611 4.954 1.00 0.00 H new ATOM 0 HG21 VAL A 44 73.226 11.720 2.669 1.00 0.00 H new ATOM 0 HG22 VAL A 44 72.758 11.216 4.311 1.00 0.00 H new ATOM 0 HG23 VAL A 44 71.893 10.563 2.899 1.00 0.00 H new ATOM 797 N ALA A 45 69.072 11.145 2.435 1.00 0.00 N ATOM 798 CA ALA A 45 68.367 10.064 1.753 1.00 0.00 C ATOM 799 C ALA A 45 68.915 9.862 0.343 1.00 0.00 C ATOM 800 O ALA A 45 68.244 9.291 -0.517 1.00 0.00 O ATOM 801 CB ALA A 45 66.880 10.390 1.680 1.00 0.00 C ATOM 0 H ALA A 45 69.187 11.993 1.881 1.00 0.00 H new ATOM 0 HA ALA A 45 68.517 9.144 2.318 1.00 0.00 H new ATOM 0 HB1 ALA A 45 66.355 9.582 1.171 1.00 0.00 H new ATOM 0 HB2 ALA A 45 66.482 10.502 2.689 1.00 0.00 H new ATOM 0 HB3 ALA A 45 66.738 11.319 1.129 1.00 0.00 H new ATOM 807 N MET A 46 70.134 10.335 0.112 1.00 0.00 N ATOM 808 CA MET A 46 70.763 10.202 -1.198 1.00 0.00 C ATOM 809 C MET A 46 72.282 10.216 -1.070 1.00 0.00 C ATOM 810 O MET A 46 72.841 11.007 -0.311 1.00 0.00 O ATOM 811 CB MET A 46 70.308 11.341 -2.110 1.00 0.00 C ATOM 812 CG MET A 46 69.382 10.790 -3.195 1.00 0.00 C ATOM 813 SD MET A 46 70.344 9.758 -4.331 1.00 0.00 S ATOM 814 CE MET A 46 68.959 9.168 -5.334 1.00 0.00 C ATOM 0 H MET A 46 70.705 10.812 0.810 1.00 0.00 H new ATOM 0 HA MET A 46 70.461 9.249 -1.632 1.00 0.00 H new ATOM 0 HB2 MET A 46 69.789 12.102 -1.527 1.00 0.00 H new ATOM 0 HB3 MET A 46 71.173 11.823 -2.566 1.00 0.00 H new ATOM 0 HG2 MET A 46 68.581 10.205 -2.743 1.00 0.00 H new ATOM 0 HG3 MET A 46 68.911 11.609 -3.739 1.00 0.00 H new ATOM 0 HE1 MET A 46 69.331 8.502 -6.112 1.00 0.00 H new ATOM 0 HE2 MET A 46 68.255 8.628 -4.701 1.00 0.00 H new ATOM 0 HE3 MET A 46 68.455 10.018 -5.794 1.00 0.00 H new ATOM 824 N VAL A 47 72.944 9.332 -1.815 1.00 0.00 N ATOM 825 CA VAL A 47 74.399 9.249 -1.776 1.00 0.00 C ATOM 826 C VAL A 47 74.983 9.736 -3.095 1.00 0.00 C ATOM 827 O VAL A 47 74.493 9.379 -4.165 1.00 0.00 O ATOM 828 CB VAL A 47 74.835 7.801 -1.539 1.00 0.00 C ATOM 829 CG1 VAL A 47 76.338 7.749 -1.252 1.00 0.00 C ATOM 830 CG2 VAL A 47 74.058 7.226 -0.354 1.00 0.00 C ATOM 0 H VAL A 47 72.498 8.668 -2.448 1.00 0.00 H new ATOM 0 HA VAL A 47 74.762 9.876 -0.962 1.00 0.00 H new ATOM 0 HB VAL A 47 74.627 7.209 -2.430 1.00 0.00 H new ATOM 0 HG11 VAL A 47 76.641 6.715 -1.084 1.00 0.00 H new ATOM 0 HG12 VAL A 47 76.885 8.154 -2.103 1.00 0.00 H new ATOM 0 HG13 VAL A 47 76.559 8.341 -0.364 1.00 0.00 H new ATOM 0 HG21 VAL A 47 74.366 6.195 -0.183 1.00 0.00 H new ATOM 0 HG22 VAL A 47 74.263 7.819 0.537 1.00 0.00 H new ATOM 0 HG23 VAL A 47 72.990 7.254 -0.571 1.00 0.00 H new ATOM 840 N ASP A 48 76.019 10.564 -3.018 1.00 0.00 N ATOM 841 CA ASP A 48 76.651 11.094 -4.220 1.00 0.00 C ATOM 842 C ASP A 48 77.407 9.988 -4.952 1.00 0.00 C ATOM 843 O ASP A 48 78.266 9.326 -4.371 1.00 0.00 O ATOM 844 CB ASP A 48 77.626 12.206 -3.836 1.00 0.00 C ATOM 845 CG ASP A 48 76.858 13.433 -3.360 1.00 0.00 C ATOM 846 OD1 ASP A 48 75.662 13.484 -3.591 1.00 0.00 O ATOM 847 OD2 ASP A 48 77.476 14.303 -2.768 1.00 0.00 O ATOM 0 H ASP A 48 76.436 10.881 -2.143 1.00 0.00 H new ATOM 0 HA ASP A 48 75.879 11.492 -4.878 1.00 0.00 H new ATOM 0 HB2 ASP A 48 78.295 11.858 -3.049 1.00 0.00 H new ATOM 0 HB3 ASP A 48 78.249 12.466 -4.692 1.00 0.00 H new ATOM 852 N ARG A 49 77.084 9.795 -6.230 1.00 0.00 N ATOM 853 CA ARG A 49 77.745 8.764 -7.028 1.00 0.00 C ATOM 854 C ARG A 49 77.965 9.256 -8.452 1.00 0.00 C ATOM 855 O ARG A 49 77.382 10.257 -8.864 1.00 0.00 O ATOM 856 CB ARG A 49 76.897 7.489 -7.048 1.00 0.00 C ATOM 857 CG ARG A 49 76.475 7.137 -5.619 1.00 0.00 C ATOM 858 CD ARG A 49 76.000 5.687 -5.547 1.00 0.00 C ATOM 859 NE ARG A 49 77.138 4.787 -5.400 1.00 0.00 N ATOM 860 CZ ARG A 49 76.961 3.483 -5.223 1.00 0.00 C ATOM 861 NH1 ARG A 49 75.753 2.990 -5.193 1.00 0.00 N ATOM 862 NH2 ARG A 49 77.991 2.694 -5.087 1.00 0.00 N ATOM 0 H ARG A 49 76.376 10.333 -6.731 1.00 0.00 H new ATOM 0 HA ARG A 49 78.712 8.544 -6.576 1.00 0.00 H new ATOM 0 HB2 ARG A 49 76.016 7.634 -7.674 1.00 0.00 H new ATOM 0 HB3 ARG A 49 77.466 6.668 -7.484 1.00 0.00 H new ATOM 0 HG2 ARG A 49 77.313 7.286 -4.938 1.00 0.00 H new ATOM 0 HG3 ARG A 49 75.677 7.805 -5.294 1.00 0.00 H new ATOM 0 HD2 ARG A 49 75.318 5.562 -4.706 1.00 0.00 H new ATOM 0 HD3 ARG A 49 75.443 5.435 -6.449 1.00 0.00 H new ATOM 0 HE ARG A 49 78.085 5.165 -5.434 1.00 0.00 H new ATOM 0 HH11 ARG A 49 74.948 3.606 -5.305 1.00 0.00 H new ATOM 0 HH12 ARG A 49 75.614 1.989 -5.057 1.00 0.00 H new ATOM 0 HH21 ARG A 49 78.935 3.078 -5.116 1.00 0.00 H new ATOM 0 HH22 ARG A 49 77.852 1.693 -4.951 1.00 0.00 H new ATOM 876 N TRP A 50 78.818 8.560 -9.204 1.00 0.00 N ATOM 877 CA TRP A 50 79.094 8.974 -10.578 1.00 0.00 C ATOM 878 C TRP A 50 78.178 8.247 -11.569 1.00 0.00 C ATOM 879 O TRP A 50 77.905 7.070 -11.398 1.00 0.00 O ATOM 880 CB TRP A 50 80.545 8.679 -10.942 1.00 0.00 C ATOM 881 CG TRP A 50 81.438 9.473 -10.053 1.00 0.00 C ATOM 882 CD1 TRP A 50 81.801 9.124 -8.798 1.00 0.00 C ATOM 883 CD2 TRP A 50 82.087 10.742 -10.332 1.00 0.00 C ATOM 884 NE1 TRP A 50 82.634 10.104 -8.289 1.00 0.00 N ATOM 885 CE2 TRP A 50 82.842 11.121 -9.201 1.00 0.00 C ATOM 886 CE3 TRP A 50 82.092 11.593 -11.450 1.00 0.00 C ATOM 887 CZ2 TRP A 50 83.580 12.303 -9.178 1.00 0.00 C ATOM 888 CZ3 TRP A 50 82.832 12.784 -11.431 1.00 0.00 C ATOM 889 CH2 TRP A 50 83.575 13.139 -10.298 1.00 0.00 C ATOM 0 H TRP A 50 79.319 7.727 -8.894 1.00 0.00 H new ATOM 0 HA TRP A 50 78.908 10.046 -10.640 1.00 0.00 H new ATOM 0 HB2 TRP A 50 80.752 7.615 -10.831 1.00 0.00 H new ATOM 0 HB3 TRP A 50 80.731 8.932 -11.986 1.00 0.00 H new ATOM 0 HD1 TRP A 50 81.492 8.229 -8.279 1.00 0.00 H new ATOM 0 HE1 TRP A 50 83.044 10.079 -7.355 1.00 0.00 H new ATOM 0 HE3 TRP A 50 81.523 11.328 -12.329 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 84.151 12.571 -8.302 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 82.829 13.432 -12.295 1.00 0.00 H new ATOM 0 HH2 TRP A 50 84.143 14.057 -10.290 1.00 0.00 H new ATOM 900 N PRO A 51 77.709 8.904 -12.601 1.00 0.00 N ATOM 901 CA PRO A 51 76.807 8.267 -13.611 1.00 0.00 C ATOM 902 C PRO A 51 77.502 7.171 -14.416 1.00 0.00 C ATOM 903 O PRO A 51 76.855 6.258 -14.927 1.00 0.00 O ATOM 904 CB PRO A 51 76.413 9.427 -14.525 1.00 0.00 C ATOM 905 CG PRO A 51 77.509 10.424 -14.372 1.00 0.00 C ATOM 906 CD PRO A 51 77.985 10.308 -12.939 1.00 0.00 C ATOM 0 HA PRO A 51 75.960 7.773 -13.135 1.00 0.00 H new ATOM 0 HB2 PRO A 51 76.318 9.100 -15.560 1.00 0.00 H new ATOM 0 HB3 PRO A 51 75.451 9.850 -14.235 1.00 0.00 H new ATOM 0 HG2 PRO A 51 78.321 10.221 -15.070 1.00 0.00 H new ATOM 0 HG3 PRO A 51 77.152 11.432 -14.584 1.00 0.00 H new ATOM 0 HD2 PRO A 51 79.046 10.542 -12.848 1.00 0.00 H new ATOM 0 HD3 PRO A 51 77.450 10.992 -12.281 1.00 0.00 H new ATOM 914 N GLU A 52 78.815 7.293 -14.550 1.00 0.00 N ATOM 915 CA GLU A 52 79.569 6.327 -15.337 1.00 0.00 C ATOM 916 C GLU A 52 79.278 4.916 -14.844 1.00 0.00 C ATOM 917 O GLU A 52 78.954 4.033 -15.637 1.00 0.00 O ATOM 918 CB GLU A 52 81.066 6.601 -15.198 1.00 0.00 C ATOM 919 CG GLU A 52 81.397 7.963 -15.806 1.00 0.00 C ATOM 920 CD GLU A 52 81.188 7.928 -17.315 1.00 0.00 C ATOM 921 OE1 GLU A 52 81.184 6.839 -17.868 1.00 0.00 O ATOM 922 OE2 GLU A 52 81.033 8.988 -17.896 1.00 0.00 O ATOM 0 H GLU A 52 79.373 8.038 -14.132 1.00 0.00 H new ATOM 0 HA GLU A 52 79.273 6.419 -16.382 1.00 0.00 H new ATOM 0 HB2 GLU A 52 81.353 6.581 -14.147 1.00 0.00 H new ATOM 0 HB3 GLU A 52 81.637 5.819 -15.699 1.00 0.00 H new ATOM 0 HG2 GLU A 52 80.765 8.732 -15.361 1.00 0.00 H new ATOM 0 HG3 GLU A 52 82.430 8.229 -15.580 1.00 0.00 H new ATOM 929 N THR A 53 79.395 4.711 -13.537 1.00 0.00 N ATOM 930 CA THR A 53 79.138 3.398 -12.959 1.00 0.00 C ATOM 931 C THR A 53 78.134 3.480 -11.813 1.00 0.00 C ATOM 932 O THR A 53 77.443 2.506 -11.517 1.00 0.00 O ATOM 933 CB THR A 53 80.436 2.793 -12.433 1.00 0.00 C ATOM 934 OG1 THR A 53 81.000 3.668 -11.464 1.00 0.00 O ATOM 935 CG2 THR A 53 81.431 2.589 -13.579 1.00 0.00 C ATOM 0 H THR A 53 79.663 5.429 -12.864 1.00 0.00 H new ATOM 0 HA THR A 53 78.722 2.769 -13.747 1.00 0.00 H new ATOM 0 HB THR A 53 80.221 1.825 -11.980 1.00 0.00 H new ATOM 0 HG1 THR A 53 80.932 3.260 -10.576 1.00 0.00 H new ATOM 0 HG21 THR A 53 82.352 2.157 -13.188 1.00 0.00 H new ATOM 0 HG22 THR A 53 81.000 1.916 -14.320 1.00 0.00 H new ATOM 0 HG23 THR A 53 81.650 3.549 -14.046 1.00 0.00 H new ATOM 943 N GLY A 54 78.063 4.628 -11.150 1.00 0.00 N ATOM 944 CA GLY A 54 77.142 4.767 -10.024 1.00 0.00 C ATOM 945 C GLY A 54 77.832 4.436 -8.709 1.00 0.00 C ATOM 946 O GLY A 54 77.165 4.164 -7.719 1.00 0.00 O ATOM 0 H GLY A 54 78.616 5.458 -11.363 1.00 0.00 H new ATOM 0 HA2 GLY A 54 76.756 5.786 -9.989 1.00 0.00 H new ATOM 0 HA3 GLY A 54 76.287 4.107 -10.166 1.00 0.00 H new ATOM 950 N TYR A 55 79.165 4.462 -8.697 1.00 0.00 N ATOM 951 CA TYR A 55 79.899 4.154 -7.466 1.00 0.00 C ATOM 952 C TYR A 55 79.992 5.370 -6.566 1.00 0.00 C ATOM 953 O TYR A 55 79.779 6.503 -7.004 1.00 0.00 O ATOM 954 CB TYR A 55 81.305 3.623 -7.772 1.00 0.00 C ATOM 955 CG TYR A 55 81.240 2.334 -8.573 1.00 0.00 C ATOM 956 CD1 TYR A 55 80.332 1.315 -8.248 1.00 0.00 C ATOM 957 CD2 TYR A 55 82.102 2.162 -9.658 1.00 0.00 C ATOM 958 CE1 TYR A 55 80.289 0.150 -9.004 1.00 0.00 C ATOM 959 CE2 TYR A 55 82.058 0.986 -10.418 1.00 0.00 C ATOM 960 CZ TYR A 55 81.145 -0.019 -10.093 1.00 0.00 C ATOM 961 OH TYR A 55 81.089 -1.178 -10.841 1.00 0.00 O ATOM 0 H TYR A 55 79.748 4.687 -9.503 1.00 0.00 H new ATOM 0 HA TYR A 55 79.341 3.376 -6.945 1.00 0.00 H new ATOM 0 HB2 TYR A 55 81.867 4.373 -8.329 1.00 0.00 H new ATOM 0 HB3 TYR A 55 81.842 3.449 -6.840 1.00 0.00 H new ATOM 0 HD1 TYR A 55 79.664 1.436 -7.408 1.00 0.00 H new ATOM 0 HD2 TYR A 55 82.807 2.940 -9.913 1.00 0.00 H new ATOM 0 HE1 TYR A 55 79.588 -0.630 -8.747 1.00 0.00 H new ATOM 0 HE2 TYR A 55 82.729 0.857 -11.254 1.00 0.00 H new ATOM 0 HH TYR A 55 81.699 -1.844 -10.459 1.00 0.00 H new ATOM 971 N VAL A 56 80.286 5.108 -5.290 1.00 0.00 N ATOM 972 CA VAL A 56 80.380 6.163 -4.295 1.00 0.00 C ATOM 973 C VAL A 56 81.503 7.132 -4.649 1.00 0.00 C ATOM 974 O VAL A 56 82.662 6.737 -4.780 1.00 0.00 O ATOM 975 CB VAL A 56 80.659 5.552 -2.923 1.00 0.00 C ATOM 976 CG1 VAL A 56 80.645 6.647 -1.861 1.00 0.00 C ATOM 977 CG2 VAL A 56 79.585 4.512 -2.587 1.00 0.00 C ATOM 0 H VAL A 56 80.462 4.171 -4.928 1.00 0.00 H new ATOM 0 HA VAL A 56 79.435 6.706 -4.274 1.00 0.00 H new ATOM 0 HB VAL A 56 81.637 5.071 -2.942 1.00 0.00 H new ATOM 0 HG11 VAL A 56 80.844 6.208 -0.883 1.00 0.00 H new ATOM 0 HG12 VAL A 56 81.413 7.386 -2.090 1.00 0.00 H new ATOM 0 HG13 VAL A 56 79.668 7.130 -1.849 1.00 0.00 H new ATOM 0 HG21 VAL A 56 79.790 4.080 -1.607 1.00 0.00 H new ATOM 0 HG22 VAL A 56 78.606 4.991 -2.575 1.00 0.00 H new ATOM 0 HG23 VAL A 56 79.594 3.724 -3.340 1.00 0.00 H new ATOM 987 N LYS A 57 81.148 8.405 -4.790 1.00 0.00 N ATOM 988 CA LYS A 57 82.127 9.434 -5.115 1.00 0.00 C ATOM 989 C LYS A 57 82.974 9.771 -3.895 1.00 0.00 C ATOM 990 O LYS A 57 84.203 9.802 -3.962 1.00 0.00 O ATOM 991 CB LYS A 57 81.405 10.688 -5.614 1.00 0.00 C ATOM 992 CG LYS A 57 82.397 11.853 -5.717 1.00 0.00 C ATOM 993 CD LYS A 57 81.731 13.032 -6.414 1.00 0.00 C ATOM 994 CE LYS A 57 82.615 14.273 -6.258 1.00 0.00 C ATOM 995 NZ LYS A 57 82.033 15.405 -7.032 1.00 0.00 N ATOM 0 H LYS A 57 80.193 8.747 -4.685 1.00 0.00 H new ATOM 0 HA LYS A 57 82.786 9.059 -5.898 1.00 0.00 H new ATOM 0 HB2 LYS A 57 80.954 10.496 -6.587 1.00 0.00 H new ATOM 0 HB3 LYS A 57 80.595 10.948 -4.933 1.00 0.00 H new ATOM 0 HG2 LYS A 57 82.732 12.148 -4.722 1.00 0.00 H new ATOM 0 HG3 LYS A 57 83.282 11.542 -6.272 1.00 0.00 H new ATOM 0 HD2 LYS A 57 81.581 12.808 -7.470 1.00 0.00 H new ATOM 0 HD3 LYS A 57 80.746 13.216 -5.984 1.00 0.00 H new ATOM 0 HE2 LYS A 57 82.696 14.543 -5.205 1.00 0.00 H new ATOM 0 HE3 LYS A 57 83.624 14.059 -6.611 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 82.636 16.246 -6.924 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 81.978 15.146 -8.038 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 81.079 15.615 -6.676 1.00 0.00 H new ATOM 1009 N LYS A 58 82.303 10.029 -2.781 1.00 0.00 N ATOM 1010 CA LYS A 58 82.996 10.368 -1.547 1.00 0.00 C ATOM 1011 C LYS A 58 82.280 9.749 -0.356 1.00 0.00 C ATOM 1012 O LYS A 58 81.052 9.646 -0.348 1.00 0.00 O ATOM 1013 CB LYS A 58 83.056 11.892 -1.390 1.00 0.00 C ATOM 1014 CG LYS A 58 81.639 12.463 -1.285 1.00 0.00 C ATOM 1015 CD LYS A 58 81.709 13.992 -1.238 1.00 0.00 C ATOM 1016 CE LYS A 58 80.297 14.572 -1.129 1.00 0.00 C ATOM 1017 NZ LYS A 58 79.698 14.176 0.176 1.00 0.00 N ATOM 0 H LYS A 58 81.286 10.010 -2.707 1.00 0.00 H new ATOM 0 HA LYS A 58 84.011 9.972 -1.589 1.00 0.00 H new ATOM 0 HB2 LYS A 58 83.629 12.152 -0.500 1.00 0.00 H new ATOM 0 HB3 LYS A 58 83.573 12.334 -2.242 1.00 0.00 H new ATOM 0 HG2 LYS A 58 81.041 12.141 -2.138 1.00 0.00 H new ATOM 0 HG3 LYS A 58 81.147 12.083 -0.390 1.00 0.00 H new ATOM 0 HD2 LYS A 58 82.310 14.312 -0.387 1.00 0.00 H new ATOM 0 HD3 LYS A 58 82.199 14.371 -2.135 1.00 0.00 H new ATOM 0 HE2 LYS A 58 80.331 15.658 -1.211 1.00 0.00 H new ATOM 0 HE3 LYS A 58 79.679 14.209 -1.950 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 78.902 14.807 0.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 79.357 13.195 0.118 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 80.417 14.249 0.924 1.00 0.00 H new ATOM 1031 N LEU A 59 83.047 9.327 0.646 1.00 0.00 N ATOM 1032 CA LEU A 59 82.454 8.709 1.820 1.00 0.00 C ATOM 1033 C LEU A 59 83.253 9.073 3.066 1.00 0.00 C ATOM 1034 O LEU A 59 84.476 8.904 3.109 1.00 0.00 O ATOM 1035 CB LEU A 59 82.412 7.178 1.631 1.00 0.00 C ATOM 1036 CG LEU A 59 81.247 6.599 2.355 1.00 0.00 C ATOM 1037 CD1 LEU A 59 79.926 7.082 1.753 1.00 0.00 C ATOM 1038 CD2 LEU A 59 81.305 5.072 2.286 1.00 0.00 C ATOM 0 H LEU A 59 84.064 9.401 0.666 1.00 0.00 H new ATOM 0 HA LEU A 59 81.436 9.078 1.947 1.00 0.00 H new ATOM 0 HB2 LEU A 59 82.345 6.938 0.570 1.00 0.00 H new ATOM 0 HB3 LEU A 59 83.336 6.734 2.001 1.00 0.00 H new ATOM 0 HG LEU A 59 81.295 6.929 3.393 1.00 0.00 H new ATOM 0 HD11 LEU A 59 79.094 6.643 2.302 1.00 0.00 H new ATOM 0 HD12 LEU A 59 79.872 8.169 1.820 1.00 0.00 H new ATOM 0 HD13 LEU A 59 79.871 6.779 0.707 1.00 0.00 H new ATOM 0 HD21 LEU A 59 80.451 4.651 2.817 1.00 0.00 H new ATOM 0 HD22 LEU A 59 81.277 4.754 1.244 1.00 0.00 H new ATOM 0 HD23 LEU A 59 82.228 4.722 2.748 1.00 0.00 H new ATOM 1050 N GLN A 60 82.557 9.588 4.074 1.00 0.00 N ATOM 1051 CA GLN A 60 83.207 9.987 5.313 1.00 0.00 C ATOM 1052 C GLN A 60 83.370 8.801 6.257 1.00 0.00 C ATOM 1053 O GLN A 60 82.438 8.029 6.478 1.00 0.00 O ATOM 1054 CB GLN A 60 82.393 11.072 6.016 1.00 0.00 C ATOM 1055 CG GLN A 60 83.237 11.711 7.122 1.00 0.00 C ATOM 1056 CD GLN A 60 82.323 12.359 8.156 1.00 0.00 C ATOM 1057 OE1 GLN A 60 81.294 11.788 8.517 1.00 0.00 O ATOM 1058 NE2 GLN A 60 82.643 13.514 8.666 1.00 0.00 N ATOM 0 H GLN A 60 81.548 9.738 4.056 1.00 0.00 H new ATOM 0 HA GLN A 60 84.193 10.373 5.056 1.00 0.00 H new ATOM 0 HB2 GLN A 60 82.082 11.831 5.298 1.00 0.00 H new ATOM 0 HB3 GLN A 60 81.485 10.643 6.439 1.00 0.00 H new ATOM 0 HG2 GLN A 60 83.862 10.956 7.598 1.00 0.00 H new ATOM 0 HG3 GLN A 60 83.907 12.458 6.696 1.00 0.00 H new ATOM 0 HE21 GLN A 60 83.496 13.985 8.365 1.00 0.00 H new ATOM 0 HE22 GLN A 60 82.040 13.947 9.366 1.00 0.00 H new ATOM 1067 N ARG A 61 84.566 8.665 6.808 1.00 0.00 N ATOM 1068 CA ARG A 61 84.840 7.568 7.722 1.00 0.00 C ATOM 1069 C ARG A 61 84.221 7.829 9.096 1.00 0.00 C ATOM 1070 O ARG A 61 83.700 8.909 9.372 1.00 0.00 O ATOM 1071 CB ARG A 61 86.346 7.358 7.878 1.00 0.00 C ATOM 1072 CG ARG A 61 86.991 7.248 6.496 1.00 0.00 C ATOM 1073 CD ARG A 61 88.146 6.244 6.541 1.00 0.00 C ATOM 1074 NE ARG A 61 89.206 6.723 7.420 1.00 0.00 N ATOM 1075 CZ ARG A 61 90.309 6.009 7.620 1.00 0.00 C ATOM 1076 NH1 ARG A 61 90.463 4.863 7.013 1.00 0.00 N ATOM 1077 NH2 ARG A 61 91.239 6.454 8.418 1.00 0.00 N ATOM 0 H ARG A 61 85.353 9.292 6.641 1.00 0.00 H new ATOM 0 HA ARG A 61 84.393 6.669 7.298 1.00 0.00 H new ATOM 0 HB2 ARG A 61 86.785 8.189 8.431 1.00 0.00 H new ATOM 0 HB3 ARG A 61 86.540 6.454 8.455 1.00 0.00 H new ATOM 0 HG2 ARG A 61 86.250 6.931 5.763 1.00 0.00 H new ATOM 0 HG3 ARG A 61 87.357 8.224 6.177 1.00 0.00 H new ATOM 0 HD2 ARG A 61 87.783 5.278 6.893 1.00 0.00 H new ATOM 0 HD3 ARG A 61 88.541 6.090 5.537 1.00 0.00 H new ATOM 0 HE ARG A 61 89.099 7.622 7.890 1.00 0.00 H new ATOM 0 HH11 ARG A 61 89.737 4.516 6.386 1.00 0.00 H new ATOM 0 HH12 ARG A 61 91.309 4.315 7.166 1.00 0.00 H new ATOM 0 HH21 ARG A 61 91.120 7.351 8.889 1.00 0.00 H new ATOM 0 HH22 ARG A 61 92.085 5.905 8.571 1.00 0.00 H new ATOM 1091 N ARG A 62 84.302 6.824 9.955 1.00 0.00 N ATOM 1092 CA ARG A 62 83.768 6.945 11.309 1.00 0.00 C ATOM 1093 C ARG A 62 84.629 7.897 12.127 1.00 0.00 C ATOM 1094 O ARG A 62 84.274 8.269 13.247 1.00 0.00 O ATOM 1095 CB ARG A 62 83.709 5.574 11.991 1.00 0.00 C ATOM 1096 CG ARG A 62 82.405 4.862 11.618 1.00 0.00 C ATOM 1097 CD ARG A 62 81.297 5.281 12.593 1.00 0.00 C ATOM 1098 NE ARG A 62 81.644 4.876 13.950 1.00 0.00 N ATOM 1099 CZ ARG A 62 81.395 3.645 14.384 1.00 0.00 C ATOM 1100 NH1 ARG A 62 80.819 2.780 13.596 1.00 0.00 N ATOM 1101 NH2 ARG A 62 81.724 3.303 15.601 1.00 0.00 N ATOM 0 H ARG A 62 84.728 5.922 9.744 1.00 0.00 H new ATOM 0 HA ARG A 62 82.756 7.344 11.246 1.00 0.00 H new ATOM 0 HB2 ARG A 62 84.563 4.970 11.687 1.00 0.00 H new ATOM 0 HB3 ARG A 62 83.772 5.693 13.073 1.00 0.00 H new ATOM 0 HG2 ARG A 62 82.120 5.114 10.597 1.00 0.00 H new ATOM 0 HG3 ARG A 62 82.545 3.782 11.653 1.00 0.00 H new ATOM 0 HD2 ARG A 62 81.156 6.361 12.552 1.00 0.00 H new ATOM 0 HD3 ARG A 62 80.352 4.824 12.299 1.00 0.00 H new ATOM 0 HE ARG A 62 82.085 5.549 14.577 1.00 0.00 H new ATOM 0 HH11 ARG A 62 80.560 3.048 12.647 1.00 0.00 H new ATOM 0 HH12 ARG A 62 80.628 1.835 13.929 1.00 0.00 H new ATOM 0 HH21 ARG A 62 82.172 3.981 16.218 1.00 0.00 H new ATOM 0 HH22 ARG A 62 81.533 2.358 15.935 1.00 0.00 H new ATOM 1115 N ASP A 63 85.765 8.290 11.560 1.00 0.00 N ATOM 1116 CA ASP A 63 86.676 9.200 12.238 1.00 0.00 C ATOM 1117 C ASP A 63 86.436 10.639 11.800 1.00 0.00 C ATOM 1118 O ASP A 63 87.175 11.539 12.191 1.00 0.00 O ATOM 1119 CB ASP A 63 88.121 8.810 11.945 1.00 0.00 C ATOM 1120 CG ASP A 63 88.448 7.483 12.623 1.00 0.00 C ATOM 1121 OD1 ASP A 63 87.712 7.101 13.519 1.00 0.00 O ATOM 1122 OD2 ASP A 63 89.427 6.866 12.234 1.00 0.00 O ATOM 0 H ASP A 63 86.075 7.992 10.635 1.00 0.00 H new ATOM 0 HA ASP A 63 86.490 9.128 13.310 1.00 0.00 H new ATOM 0 HB2 ASP A 63 88.273 8.726 10.869 1.00 0.00 H new ATOM 0 HB3 ASP A 63 88.796 9.587 12.303 1.00 0.00 H new ATOM 1127 N ASN A 64 85.398 10.851 10.991 1.00 0.00 N ATOM 1128 CA ASN A 64 85.062 12.188 10.506 1.00 0.00 C ATOM 1129 C ASN A 64 86.056 12.649 9.446 1.00 0.00 C ATOM 1130 O ASN A 64 86.397 13.830 9.380 1.00 0.00 O ATOM 1131 CB ASN A 64 85.049 13.185 11.662 1.00 0.00 C ATOM 1132 CG ASN A 64 84.481 12.526 12.911 1.00 0.00 C ATOM 1133 OD1 ASN A 64 83.621 11.649 12.818 1.00 0.00 O ATOM 1134 ND2 ASN A 64 84.901 12.913 14.080 1.00 0.00 N ATOM 0 H ASN A 64 84.776 10.114 10.658 1.00 0.00 H new ATOM 0 HA ASN A 64 84.069 12.142 10.058 1.00 0.00 H new ATOM 0 HB2 ASN A 64 86.060 13.542 11.857 1.00 0.00 H new ATOM 0 HB3 ASN A 64 84.450 14.056 11.396 1.00 0.00 H new ATOM 0 HD21 ASN A 64 84.518 12.490 14.925 1.00 0.00 H new ATOM 0 HD22 ASN A 64 85.613 13.640 14.151 1.00 0.00 H new ATOM 1141 N THR A 65 86.502 11.711 8.614 1.00 0.00 N ATOM 1142 CA THR A 65 87.446 12.034 7.550 1.00 0.00 C ATOM 1143 C THR A 65 86.832 11.744 6.187 1.00 0.00 C ATOM 1144 O THR A 65 86.366 10.634 5.931 1.00 0.00 O ATOM 1145 CB THR A 65 88.722 11.205 7.720 1.00 0.00 C ATOM 1146 OG1 THR A 65 88.379 9.838 7.897 1.00 0.00 O ATOM 1147 CG2 THR A 65 89.497 11.706 8.939 1.00 0.00 C ATOM 0 H THR A 65 86.227 10.730 8.656 1.00 0.00 H new ATOM 0 HA THR A 65 87.688 13.095 7.611 1.00 0.00 H new ATOM 0 HB THR A 65 89.345 11.307 6.831 1.00 0.00 H new ATOM 0 HG1 THR A 65 88.847 9.482 8.681 1.00 0.00 H new ATOM 0 HG21 THR A 65 90.405 11.116 9.060 1.00 0.00 H new ATOM 0 HG22 THR A 65 89.761 12.754 8.797 1.00 0.00 H new ATOM 0 HG23 THR A 65 88.878 11.606 9.830 1.00 0.00 H new ATOM 1155 N PHE A 66 86.836 12.746 5.313 1.00 0.00 N ATOM 1156 CA PHE A 66 86.276 12.580 3.979 1.00 0.00 C ATOM 1157 C PHE A 66 87.244 11.827 3.090 1.00 0.00 C ATOM 1158 O PHE A 66 88.358 12.292 2.845 1.00 0.00 O ATOM 1159 CB PHE A 66 85.980 13.947 3.357 1.00 0.00 C ATOM 1160 CG PHE A 66 84.689 14.486 3.923 1.00 0.00 C ATOM 1161 CD1 PHE A 66 83.469 13.991 3.453 1.00 0.00 C ATOM 1162 CD2 PHE A 66 84.712 15.474 4.912 1.00 0.00 C ATOM 1163 CE1 PHE A 66 82.267 14.484 3.970 1.00 0.00 C ATOM 1164 CE2 PHE A 66 83.508 15.969 5.432 1.00 0.00 C ATOM 1165 CZ PHE A 66 82.286 15.474 4.960 1.00 0.00 C ATOM 0 H PHE A 66 87.217 13.673 5.503 1.00 0.00 H new ATOM 0 HA PHE A 66 85.350 12.011 4.065 1.00 0.00 H new ATOM 0 HB2 PHE A 66 86.797 14.638 3.564 1.00 0.00 H new ATOM 0 HB3 PHE A 66 85.905 13.857 2.273 1.00 0.00 H new ATOM 0 HD1 PHE A 66 83.455 13.227 2.690 1.00 0.00 H new ATOM 0 HD2 PHE A 66 85.655 15.855 5.275 1.00 0.00 H new ATOM 0 HE1 PHE A 66 81.325 14.102 3.606 1.00 0.00 H new ATOM 0 HE2 PHE A 66 83.523 16.732 6.196 1.00 0.00 H new ATOM 0 HZ PHE A 66 81.358 15.856 5.360 1.00 0.00 H new ATOM 1175 N PHE A 67 86.806 10.674 2.589 1.00 0.00 N ATOM 1176 CA PHE A 67 87.649 9.877 1.708 1.00 0.00 C ATOM 1177 C PHE A 67 87.100 9.858 0.293 1.00 0.00 C ATOM 1178 O PHE A 67 85.958 9.449 0.045 1.00 0.00 O ATOM 1179 CB PHE A 67 87.796 8.428 2.213 1.00 0.00 C ATOM 1180 CG PHE A 67 89.052 8.230 3.066 1.00 0.00 C ATOM 1181 CD1 PHE A 67 89.742 9.309 3.677 1.00 0.00 C ATOM 1182 CD2 PHE A 67 89.488 6.921 3.312 1.00 0.00 C ATOM 1183 CE1 PHE A 67 90.857 9.063 4.477 1.00 0.00 C ATOM 1184 CE2 PHE A 67 90.611 6.689 4.118 1.00 0.00 C ATOM 1185 CZ PHE A 67 91.295 7.765 4.692 1.00 0.00 C ATOM 0 H PHE A 67 85.885 10.277 2.776 1.00 0.00 H new ATOM 0 HA PHE A 67 88.632 10.348 1.708 1.00 0.00 H new ATOM 0 HB2 PHE A 67 86.917 8.160 2.799 1.00 0.00 H new ATOM 0 HB3 PHE A 67 87.830 7.751 1.360 1.00 0.00 H new ATOM 0 HD1 PHE A 67 89.403 10.323 3.522 1.00 0.00 H new ATOM 0 HD2 PHE A 67 88.956 6.087 2.878 1.00 0.00 H new ATOM 0 HE1 PHE A 67 91.383 9.889 4.932 1.00 0.00 H new ATOM 0 HE2 PHE A 67 90.948 5.679 4.296 1.00 0.00 H new ATOM 0 HZ PHE A 67 92.166 7.585 5.304 1.00 0.00 H new ATOM 1195 N TYR A 68 87.952 10.296 -0.633 1.00 0.00 N ATOM 1196 CA TYR A 68 87.600 10.328 -2.037 1.00 0.00 C ATOM 1197 C TYR A 68 87.869 8.961 -2.641 1.00 0.00 C ATOM 1198 O TYR A 68 88.942 8.394 -2.439 1.00 0.00 O ATOM 1199 CB TYR A 68 88.432 11.391 -2.759 1.00 0.00 C ATOM 1200 CG TYR A 68 88.138 12.751 -2.164 1.00 0.00 C ATOM 1201 CD1 TYR A 68 86.870 13.322 -2.320 1.00 0.00 C ATOM 1202 CD2 TYR A 68 89.131 13.437 -1.453 1.00 0.00 C ATOM 1203 CE1 TYR A 68 86.594 14.578 -1.768 1.00 0.00 C ATOM 1204 CE2 TYR A 68 88.856 14.695 -0.900 1.00 0.00 C ATOM 1205 CZ TYR A 68 87.585 15.265 -1.058 1.00 0.00 C ATOM 1206 OH TYR A 68 87.313 16.503 -0.514 1.00 0.00 O ATOM 0 H TYR A 68 88.892 10.633 -0.427 1.00 0.00 H new ATOM 0 HA TYR A 68 86.545 10.578 -2.147 1.00 0.00 H new ATOM 0 HB2 TYR A 68 89.494 11.163 -2.665 1.00 0.00 H new ATOM 0 HB3 TYR A 68 88.199 11.390 -3.824 1.00 0.00 H new ATOM 0 HD1 TYR A 68 86.104 12.793 -2.867 1.00 0.00 H new ATOM 0 HD2 TYR A 68 90.109 12.996 -1.331 1.00 0.00 H new ATOM 0 HE1 TYR A 68 85.615 15.018 -1.890 1.00 0.00 H new ATOM 0 HE2 TYR A 68 89.622 15.225 -0.353 1.00 0.00 H new ATOM 0 HH TYR A 68 88.110 16.840 -0.053 1.00 0.00 H new ATOM 1216 N TYR A 69 86.889 8.432 -3.360 1.00 0.00 N ATOM 1217 CA TYR A 69 87.021 7.119 -3.972 1.00 0.00 C ATOM 1218 C TYR A 69 87.085 7.247 -5.489 1.00 0.00 C ATOM 1219 O TYR A 69 86.603 8.225 -6.063 1.00 0.00 O ATOM 1220 CB TYR A 69 85.832 6.241 -3.565 1.00 0.00 C ATOM 1221 CG TYR A 69 85.851 6.040 -2.065 1.00 0.00 C ATOM 1222 CD1 TYR A 69 85.178 6.941 -1.231 1.00 0.00 C ATOM 1223 CD2 TYR A 69 86.549 4.962 -1.507 1.00 0.00 C ATOM 1224 CE1 TYR A 69 85.199 6.763 0.156 1.00 0.00 C ATOM 1225 CE2 TYR A 69 86.567 4.782 -0.119 1.00 0.00 C ATOM 1226 CZ TYR A 69 85.890 5.681 0.712 1.00 0.00 C ATOM 1227 OH TYR A 69 85.903 5.497 2.080 1.00 0.00 O ATOM 0 H TYR A 69 85.995 8.892 -3.533 1.00 0.00 H new ATOM 0 HA TYR A 69 87.945 6.655 -3.625 1.00 0.00 H new ATOM 0 HB2 TYR A 69 84.897 6.711 -3.869 1.00 0.00 H new ATOM 0 HB3 TYR A 69 85.885 5.278 -4.073 1.00 0.00 H new ATOM 0 HD1 TYR A 69 84.642 7.775 -1.659 1.00 0.00 H new ATOM 0 HD2 TYR A 69 87.074 4.269 -2.148 1.00 0.00 H new ATOM 0 HE1 TYR A 69 84.682 7.461 0.798 1.00 0.00 H new ATOM 0 HE2 TYR A 69 87.104 3.949 0.310 1.00 0.00 H new ATOM 0 HH TYR A 69 86.427 4.698 2.298 1.00 0.00 H new ATOM 1237 N ASN A 70 87.691 6.256 -6.129 1.00 0.00 N ATOM 1238 CA ASN A 70 87.824 6.259 -7.577 1.00 0.00 C ATOM 1239 C ASN A 70 86.653 5.547 -8.245 1.00 0.00 C ATOM 1240 O ASN A 70 86.438 4.353 -8.037 1.00 0.00 O ATOM 1241 CB ASN A 70 89.128 5.573 -7.975 1.00 0.00 C ATOM 1242 CG ASN A 70 89.155 5.348 -9.479 1.00 0.00 C ATOM 1243 OD1 ASN A 70 89.075 4.128 -9.944 1.00 0.00 O flip ATOM 1244 ND2 ASN A 70 89.240 6.305 -10.249 1.00 0.00 N flip ATOM 0 H ASN A 70 88.097 5.442 -5.668 1.00 0.00 H new ATOM 0 HA ASN A 70 87.830 7.296 -7.912 1.00 0.00 H new ATOM 0 HB2 ASN A 70 89.978 6.186 -7.675 1.00 0.00 H new ATOM 0 HB3 ASN A 70 89.222 4.620 -7.454 1.00 0.00 H new ATOM 0 HD21 ASN A 70 89.302 7.253 -9.879 1.00 0.00 H new ATOM 0 HD22 ASN A 70 89.248 6.149 -11.257 1.00 0.00 H new ATOM 1251 N LYS A 71 85.905 6.290 -9.054 1.00 0.00 N ATOM 1252 CA LYS A 71 84.765 5.719 -9.762 1.00 0.00 C ATOM 1253 C LYS A 71 85.221 4.677 -10.783 1.00 0.00 C ATOM 1254 O LYS A 71 84.448 3.823 -11.209 1.00 0.00 O ATOM 1255 CB LYS A 71 83.981 6.824 -10.469 1.00 0.00 C ATOM 1256 CG LYS A 71 84.897 7.575 -11.438 1.00 0.00 C ATOM 1257 CD LYS A 71 84.207 7.710 -12.794 1.00 0.00 C ATOM 1258 CE LYS A 71 84.976 8.709 -13.654 1.00 0.00 C ATOM 1259 NZ LYS A 71 86.439 8.515 -13.449 1.00 0.00 N ATOM 0 H LYS A 71 86.066 7.281 -9.235 1.00 0.00 H new ATOM 0 HA LYS A 71 84.122 5.228 -9.031 1.00 0.00 H new ATOM 0 HB2 LYS A 71 83.138 6.394 -11.011 1.00 0.00 H new ATOM 0 HB3 LYS A 71 83.569 7.516 -9.735 1.00 0.00 H new ATOM 0 HG2 LYS A 71 85.134 8.561 -11.040 1.00 0.00 H new ATOM 0 HG3 LYS A 71 85.841 7.041 -11.550 1.00 0.00 H new ATOM 0 HD2 LYS A 71 84.165 6.741 -13.292 1.00 0.00 H new ATOM 0 HD3 LYS A 71 83.178 8.044 -12.660 1.00 0.00 H new ATOM 0 HE2 LYS A 71 84.723 8.571 -14.705 1.00 0.00 H new ATOM 0 HE3 LYS A 71 84.692 9.728 -13.389 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 86.954 8.838 -14.293 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 86.750 9.065 -12.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 86.636 7.507 -13.288 1.00 0.00 H new ATOM 1273 N GLU A 72 86.482 4.751 -11.177 1.00 0.00 N ATOM 1274 CA GLU A 72 87.017 3.802 -12.145 1.00 0.00 C ATOM 1275 C GLU A 72 87.437 2.529 -11.431 1.00 0.00 C ATOM 1276 O GLU A 72 88.614 2.198 -11.423 1.00 0.00 O ATOM 1277 CB GLU A 72 88.228 4.414 -12.872 1.00 0.00 C ATOM 1278 CG GLU A 72 87.767 5.094 -14.157 1.00 0.00 C ATOM 1279 CD GLU A 72 87.376 4.038 -15.183 1.00 0.00 C ATOM 1280 OE1 GLU A 72 87.597 2.868 -14.915 1.00 0.00 O ATOM 1281 OE2 GLU A 72 86.863 4.412 -16.226 1.00 0.00 O ATOM 0 H GLU A 72 87.149 5.449 -10.847 1.00 0.00 H new ATOM 0 HA GLU A 72 86.245 3.569 -12.879 1.00 0.00 H new ATOM 0 HB2 GLU A 72 88.725 5.137 -12.225 1.00 0.00 H new ATOM 0 HB3 GLU A 72 88.957 3.637 -13.102 1.00 0.00 H new ATOM 0 HG2 GLU A 72 86.919 5.747 -13.951 1.00 0.00 H new ATOM 0 HG3 GLU A 72 88.564 5.723 -14.553 1.00 0.00 H new ATOM 1288 N ARG A 73 86.456 1.825 -10.847 1.00 0.00 N ATOM 1289 CA ARG A 73 86.706 0.578 -10.126 1.00 0.00 C ATOM 1290 C ARG A 73 88.053 0.606 -9.394 1.00 0.00 C ATOM 1291 O ARG A 73 89.109 0.804 -9.985 1.00 0.00 O ATOM 1292 CB ARG A 73 86.637 -0.598 -11.100 1.00 0.00 C ATOM 1293 CG ARG A 73 86.288 -1.903 -10.363 1.00 0.00 C ATOM 1294 CD ARG A 73 87.495 -2.440 -9.594 1.00 0.00 C ATOM 1295 NE ARG A 73 87.809 -3.792 -10.023 1.00 0.00 N ATOM 1296 CZ ARG A 73 88.615 -4.007 -11.060 1.00 0.00 C ATOM 1297 NH1 ARG A 73 89.107 -2.993 -11.726 1.00 0.00 N ATOM 1298 NH2 ARG A 73 88.911 -5.226 -11.420 1.00 0.00 N ATOM 0 H ARG A 73 85.475 2.105 -10.863 1.00 0.00 H new ATOM 0 HA ARG A 73 85.934 0.459 -9.365 1.00 0.00 H new ATOM 0 HB2 ARG A 73 85.888 -0.397 -11.866 1.00 0.00 H new ATOM 0 HB3 ARG A 73 87.594 -0.709 -11.611 1.00 0.00 H new ATOM 0 HG2 ARG A 73 85.463 -1.725 -9.673 1.00 0.00 H new ATOM 0 HG3 ARG A 73 85.948 -2.650 -11.081 1.00 0.00 H new ATOM 0 HD2 ARG A 73 88.356 -1.791 -9.757 1.00 0.00 H new ATOM 0 HD3 ARG A 73 87.286 -2.431 -8.524 1.00 0.00 H new ATOM 0 HE ARG A 73 87.407 -4.586 -9.524 1.00 0.00 H new ATOM 0 HH11 ARG A 73 88.873 -2.039 -11.450 1.00 0.00 H new ATOM 0 HH12 ARG A 73 89.725 -3.156 -12.521 1.00 0.00 H new ATOM 0 HH21 ARG A 73 88.524 -6.018 -10.906 1.00 0.00 H new ATOM 0 HH22 ARG A 73 89.529 -5.387 -12.215 1.00 0.00 H new ATOM 1312 N GLU A 74 88.003 0.362 -8.093 1.00 0.00 N ATOM 1313 CA GLU A 74 89.223 0.352 -7.290 1.00 0.00 C ATOM 1314 C GLU A 74 89.420 -0.977 -6.572 1.00 0.00 C ATOM 1315 O GLU A 74 90.541 -1.326 -6.195 1.00 0.00 O ATOM 1316 CB GLU A 74 89.162 1.491 -6.278 1.00 0.00 C ATOM 1317 CG GLU A 74 90.509 1.614 -5.573 1.00 0.00 C ATOM 1318 CD GLU A 74 90.493 2.816 -4.640 1.00 0.00 C ATOM 1319 OE1 GLU A 74 89.479 3.496 -4.602 1.00 0.00 O ATOM 1320 OE2 GLU A 74 91.491 3.042 -3.979 1.00 0.00 O ATOM 0 H GLU A 74 87.146 0.171 -7.574 1.00 0.00 H new ATOM 0 HA GLU A 74 90.074 0.487 -7.958 1.00 0.00 H new ATOM 0 HB2 GLU A 74 88.915 2.426 -6.781 1.00 0.00 H new ATOM 0 HB3 GLU A 74 88.373 1.303 -5.549 1.00 0.00 H new ATOM 0 HG2 GLU A 74 90.719 0.706 -5.008 1.00 0.00 H new ATOM 0 HG3 GLU A 74 91.306 1.723 -6.308 1.00 0.00 H new ATOM 1327 N CYS A 75 88.337 -1.711 -6.374 1.00 0.00 N ATOM 1328 CA CYS A 75 88.415 -2.996 -5.686 1.00 0.00 C ATOM 1329 C CYS A 75 88.841 -4.112 -6.635 1.00 0.00 C ATOM 1330 O CYS A 75 88.309 -4.253 -7.730 1.00 0.00 O ATOM 1331 CB CYS A 75 87.053 -3.322 -5.089 1.00 0.00 C ATOM 1332 SG CYS A 75 86.774 -2.284 -3.634 1.00 0.00 S ATOM 0 H CYS A 75 87.400 -1.445 -6.676 1.00 0.00 H new ATOM 0 HA CYS A 75 89.166 -2.923 -4.899 1.00 0.00 H new ATOM 0 HB2 CYS A 75 86.269 -3.152 -5.827 1.00 0.00 H new ATOM 0 HB3 CYS A 75 87.007 -4.375 -4.813 1.00 0.00 H new ATOM 0 HG CYS A 75 87.159 -2.920 -2.567 1.00 0.00 H new ATOM 1338 N GLU A 76 89.800 -4.911 -6.194 1.00 0.00 N ATOM 1339 CA GLU A 76 90.296 -6.019 -7.003 1.00 0.00 C ATOM 1340 C GLU A 76 89.989 -7.348 -6.328 1.00 0.00 C ATOM 1341 O GLU A 76 89.572 -7.380 -5.173 1.00 0.00 O ATOM 1342 CB GLU A 76 91.808 -5.872 -7.213 1.00 0.00 C ATOM 1343 CG GLU A 76 92.091 -4.738 -8.206 1.00 0.00 C ATOM 1344 CD GLU A 76 91.772 -3.390 -7.568 1.00 0.00 C ATOM 1345 OE1 GLU A 76 91.869 -3.291 -6.356 1.00 0.00 O ATOM 1346 OE2 GLU A 76 91.431 -2.477 -8.303 1.00 0.00 O ATOM 0 H GLU A 76 90.251 -4.816 -5.284 1.00 0.00 H new ATOM 0 HA GLU A 76 89.796 -5.999 -7.972 1.00 0.00 H new ATOM 0 HB2 GLU A 76 92.297 -5.664 -6.261 1.00 0.00 H new ATOM 0 HB3 GLU A 76 92.224 -6.807 -7.588 1.00 0.00 H new ATOM 0 HG2 GLU A 76 93.137 -4.765 -8.513 1.00 0.00 H new ATOM 0 HG3 GLU A 76 91.491 -4.874 -9.106 1.00 0.00 H new ATOM 1353 N ASP A 77 90.176 -8.439 -7.065 1.00 0.00 N ATOM 1354 CA ASP A 77 89.895 -9.769 -6.531 1.00 0.00 C ATOM 1355 C ASP A 77 90.557 -9.931 -5.167 1.00 0.00 C ATOM 1356 O ASP A 77 90.020 -10.586 -4.267 1.00 0.00 O ATOM 1357 CB ASP A 77 90.430 -10.834 -7.494 1.00 0.00 C ATOM 1358 CG ASP A 77 89.530 -10.933 -8.722 1.00 0.00 C ATOM 1359 OD1 ASP A 77 88.455 -10.359 -8.694 1.00 0.00 O ATOM 1360 OD2 ASP A 77 89.933 -11.582 -9.675 1.00 0.00 O ATOM 0 H ASP A 77 90.518 -8.430 -8.026 1.00 0.00 H new ATOM 0 HA ASP A 77 88.817 -9.890 -6.421 1.00 0.00 H new ATOM 0 HB2 ASP A 77 91.446 -10.582 -7.798 1.00 0.00 H new ATOM 0 HB3 ASP A 77 90.478 -11.799 -6.990 1.00 0.00 H new ATOM 1365 N LYS A 78 91.715 -9.320 -5.014 1.00 0.00 N ATOM 1366 CA LYS A 78 92.433 -9.387 -3.754 1.00 0.00 C ATOM 1367 C LYS A 78 91.564 -8.811 -2.634 1.00 0.00 C ATOM 1368 O LYS A 78 91.623 -9.265 -1.483 1.00 0.00 O ATOM 1369 CB LYS A 78 93.736 -8.592 -3.840 1.00 0.00 C ATOM 1370 CG LYS A 78 94.535 -8.789 -2.550 1.00 0.00 C ATOM 1371 CD LYS A 78 95.853 -8.020 -2.643 1.00 0.00 C ATOM 1372 CE LYS A 78 96.683 -8.283 -1.386 1.00 0.00 C ATOM 1373 NZ LYS A 78 95.946 -7.788 -0.189 1.00 0.00 N ATOM 0 H LYS A 78 92.178 -8.774 -5.741 1.00 0.00 H new ATOM 0 HA LYS A 78 92.666 -10.430 -3.541 1.00 0.00 H new ATOM 0 HB2 LYS A 78 94.321 -8.923 -4.698 1.00 0.00 H new ATOM 0 HB3 LYS A 78 93.521 -7.534 -3.990 1.00 0.00 H new ATOM 0 HG2 LYS A 78 93.957 -8.439 -1.695 1.00 0.00 H new ATOM 0 HG3 LYS A 78 94.731 -9.849 -2.390 1.00 0.00 H new ATOM 0 HD2 LYS A 78 96.406 -8.330 -3.529 1.00 0.00 H new ATOM 0 HD3 LYS A 78 95.658 -6.953 -2.747 1.00 0.00 H new ATOM 0 HE2 LYS A 78 96.884 -9.350 -1.287 1.00 0.00 H new ATOM 0 HE3 LYS A 78 97.648 -7.783 -1.464 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 96.601 -7.714 0.616 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 95.541 -6.852 -0.393 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 95.181 -8.452 0.047 1.00 0.00 H new ATOM 1387 N GLU A 79 90.743 -7.819 -2.969 1.00 0.00 N ATOM 1388 CA GLU A 79 89.874 -7.207 -1.978 1.00 0.00 C ATOM 1389 C GLU A 79 88.632 -8.059 -1.766 1.00 0.00 C ATOM 1390 O GLU A 79 88.053 -8.058 -0.684 1.00 0.00 O ATOM 1391 CB GLU A 79 89.461 -5.807 -2.438 1.00 0.00 C ATOM 1392 CG GLU A 79 90.710 -4.942 -2.613 1.00 0.00 C ATOM 1393 CD GLU A 79 91.371 -4.695 -1.261 1.00 0.00 C ATOM 1394 OE1 GLU A 79 90.697 -4.854 -0.257 1.00 0.00 O ATOM 1395 OE2 GLU A 79 92.539 -4.348 -1.251 1.00 0.00 O ATOM 0 H GLU A 79 90.664 -7.428 -3.908 1.00 0.00 H new ATOM 0 HA GLU A 79 90.419 -7.133 -1.037 1.00 0.00 H new ATOM 0 HB2 GLU A 79 88.913 -5.868 -3.378 1.00 0.00 H new ATOM 0 HB3 GLU A 79 88.791 -5.355 -1.707 1.00 0.00 H new ATOM 0 HG2 GLU A 79 91.412 -5.435 -3.285 1.00 0.00 H new ATOM 0 HG3 GLU A 79 90.442 -3.992 -3.074 1.00 0.00 H new ATOM 1402 N VAL A 80 88.220 -8.790 -2.798 1.00 0.00 N ATOM 1403 CA VAL A 80 87.040 -9.632 -2.674 1.00 0.00 C ATOM 1404 C VAL A 80 87.232 -10.606 -1.522 1.00 0.00 C ATOM 1405 O VAL A 80 86.368 -10.733 -0.653 1.00 0.00 O ATOM 1406 CB VAL A 80 86.830 -10.407 -3.985 1.00 0.00 C ATOM 1407 CG1 VAL A 80 85.772 -11.501 -3.818 1.00 0.00 C ATOM 1408 CG2 VAL A 80 86.358 -9.439 -5.065 1.00 0.00 C ATOM 0 H VAL A 80 88.676 -8.816 -3.710 1.00 0.00 H new ATOM 0 HA VAL A 80 86.165 -9.013 -2.477 1.00 0.00 H new ATOM 0 HB VAL A 80 87.776 -10.872 -4.263 1.00 0.00 H new ATOM 0 HG11 VAL A 80 85.645 -12.032 -4.762 1.00 0.00 H new ATOM 0 HG12 VAL A 80 86.092 -12.202 -3.047 1.00 0.00 H new ATOM 0 HG13 VAL A 80 84.824 -11.049 -3.526 1.00 0.00 H new ATOM 0 HG21 VAL A 80 86.207 -9.981 -5.998 1.00 0.00 H new ATOM 0 HG22 VAL A 80 85.419 -8.979 -4.756 1.00 0.00 H new ATOM 0 HG23 VAL A 80 87.110 -8.664 -5.213 1.00 0.00 H new ATOM 1418 N HIS A 81 88.357 -11.297 -1.522 1.00 0.00 N ATOM 1419 CA HIS A 81 88.628 -12.259 -0.461 1.00 0.00 C ATOM 1420 C HIS A 81 88.753 -11.553 0.883 1.00 0.00 C ATOM 1421 O HIS A 81 88.259 -12.037 1.899 1.00 0.00 O ATOM 1422 CB HIS A 81 89.918 -13.017 -0.767 1.00 0.00 C ATOM 1423 CG HIS A 81 89.677 -13.971 -1.904 1.00 0.00 C ATOM 1424 ND1 HIS A 81 89.602 -13.544 -3.222 1.00 0.00 N ATOM 1425 CD2 HIS A 81 89.499 -15.331 -1.939 1.00 0.00 C ATOM 1426 CE1 HIS A 81 89.386 -14.630 -3.986 1.00 0.00 C ATOM 1427 NE2 HIS A 81 89.316 -15.746 -3.255 1.00 0.00 N ATOM 0 H HIS A 81 89.088 -11.216 -2.229 1.00 0.00 H new ATOM 0 HA HIS A 81 87.797 -12.962 -0.409 1.00 0.00 H new ATOM 0 HB2 HIS A 81 90.712 -12.317 -1.027 1.00 0.00 H new ATOM 0 HB3 HIS A 81 90.251 -13.562 0.116 1.00 0.00 H new ATOM 0 HD1 HIS A 81 89.694 -12.583 -3.551 1.00 0.00 H new ATOM 0 HD2 HIS A 81 89.501 -15.981 -1.076 1.00 0.00 H new ATOM 0 HE1 HIS A 81 89.282 -14.603 -5.061 1.00 0.00 H new ATOM 1435 N LYS A 82 89.424 -10.405 0.886 1.00 0.00 N ATOM 1436 CA LYS A 82 89.608 -9.643 2.118 1.00 0.00 C ATOM 1437 C LYS A 82 88.305 -8.965 2.539 1.00 0.00 C ATOM 1438 O LYS A 82 88.083 -8.692 3.718 1.00 0.00 O ATOM 1439 CB LYS A 82 90.688 -8.584 1.905 1.00 0.00 C ATOM 1440 CG LYS A 82 91.999 -9.266 1.495 1.00 0.00 C ATOM 1441 CD LYS A 82 92.981 -9.259 2.665 1.00 0.00 C ATOM 1442 CE LYS A 82 93.600 -7.865 2.795 1.00 0.00 C ATOM 1443 NZ LYS A 82 93.810 -7.546 4.234 1.00 0.00 N ATOM 0 H LYS A 82 89.846 -9.985 0.058 1.00 0.00 H new ATOM 0 HA LYS A 82 89.911 -10.330 2.908 1.00 0.00 H new ATOM 0 HB2 LYS A 82 90.375 -7.880 1.134 1.00 0.00 H new ATOM 0 HB3 LYS A 82 90.835 -8.010 2.820 1.00 0.00 H new ATOM 0 HG2 LYS A 82 91.802 -10.291 1.181 1.00 0.00 H new ATOM 0 HG3 LYS A 82 92.435 -8.749 0.640 1.00 0.00 H new ATOM 0 HD2 LYS A 82 92.468 -9.529 3.588 1.00 0.00 H new ATOM 0 HD3 LYS A 82 93.761 -10.003 2.505 1.00 0.00 H new ATOM 0 HE2 LYS A 82 94.549 -7.826 2.261 1.00 0.00 H new ATOM 0 HE3 LYS A 82 92.947 -7.122 2.339 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 94.231 -6.599 4.322 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 92.897 -7.567 4.731 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 94.450 -8.249 4.656 1.00 0.00 H new ATOM 1457 N VAL A 83 87.453 -8.687 1.558 1.00 0.00 N ATOM 1458 CA VAL A 83 86.176 -8.028 1.817 1.00 0.00 C ATOM 1459 C VAL A 83 85.107 -9.018 2.269 1.00 0.00 C ATOM 1460 O VAL A 83 84.832 -10.021 1.602 1.00 0.00 O ATOM 1461 CB VAL A 83 85.695 -7.308 0.557 1.00 0.00 C ATOM 1462 CG1 VAL A 83 84.262 -6.806 0.767 1.00 0.00 C ATOM 1463 CG2 VAL A 83 86.597 -6.108 0.279 1.00 0.00 C ATOM 0 H VAL A 83 87.623 -8.907 0.577 1.00 0.00 H new ATOM 0 HA VAL A 83 86.337 -7.310 2.621 1.00 0.00 H new ATOM 0 HB VAL A 83 85.727 -8.001 -0.284 1.00 0.00 H new ATOM 0 HG11 VAL A 83 83.921 -6.293 -0.132 1.00 0.00 H new ATOM 0 HG12 VAL A 83 83.607 -7.652 0.973 1.00 0.00 H new ATOM 0 HG13 VAL A 83 84.238 -6.115 1.610 1.00 0.00 H new ATOM 0 HG21 VAL A 83 86.254 -5.595 -0.619 1.00 0.00 H new ATOM 0 HG22 VAL A 83 86.561 -5.422 1.125 1.00 0.00 H new ATOM 0 HG23 VAL A 83 87.622 -6.449 0.133 1.00 0.00 H new ATOM 1473 N LYS A 84 84.491 -8.709 3.403 1.00 0.00 N ATOM 1474 CA LYS A 84 83.436 -9.549 3.941 1.00 0.00 C ATOM 1475 C LYS A 84 82.086 -8.883 3.714 1.00 0.00 C ATOM 1476 O LYS A 84 81.891 -7.723 4.079 1.00 0.00 O ATOM 1477 CB LYS A 84 83.673 -9.789 5.434 1.00 0.00 C ATOM 1478 CG LYS A 84 83.283 -8.537 6.221 1.00 0.00 C ATOM 1479 CD LYS A 84 83.936 -8.579 7.604 1.00 0.00 C ATOM 1480 CE LYS A 84 85.322 -7.930 7.541 1.00 0.00 C ATOM 1481 NZ LYS A 84 85.175 -6.482 7.220 1.00 0.00 N ATOM 0 H LYS A 84 84.705 -7.885 3.964 1.00 0.00 H new ATOM 0 HA LYS A 84 83.442 -10.512 3.430 1.00 0.00 H new ATOM 0 HB2 LYS A 84 83.086 -10.642 5.774 1.00 0.00 H new ATOM 0 HB3 LYS A 84 84.721 -10.032 5.612 1.00 0.00 H new ATOM 0 HG2 LYS A 84 83.601 -7.643 5.684 1.00 0.00 H new ATOM 0 HG3 LYS A 84 82.199 -8.480 6.321 1.00 0.00 H new ATOM 0 HD2 LYS A 84 83.311 -8.055 8.328 1.00 0.00 H new ATOM 0 HD3 LYS A 84 84.022 -9.611 7.945 1.00 0.00 H new ATOM 0 HE2 LYS A 84 85.837 -8.052 8.494 1.00 0.00 H new ATOM 0 HE3 LYS A 84 85.932 -8.422 6.783 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 85.586 -6.291 6.284 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 84.166 -6.228 7.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 85.670 -5.915 7.938 1.00 0.00 H new ATOM 1495 N VAL A 85 81.162 -9.611 3.092 1.00 0.00 N ATOM 1496 CA VAL A 85 79.846 -9.057 2.802 1.00 0.00 C ATOM 1497 C VAL A 85 78.863 -9.452 3.897 1.00 0.00 C ATOM 1498 O VAL A 85 78.642 -10.638 4.147 1.00 0.00 O ATOM 1499 CB VAL A 85 79.350 -9.590 1.456 1.00 0.00 C ATOM 1500 CG1 VAL A 85 78.121 -8.803 0.990 1.00 0.00 C ATOM 1501 CG2 VAL A 85 80.468 -9.473 0.424 1.00 0.00 C ATOM 0 H VAL A 85 81.299 -10.573 2.783 1.00 0.00 H new ATOM 0 HA VAL A 85 79.919 -7.970 2.760 1.00 0.00 H new ATOM 0 HB VAL A 85 79.066 -10.636 1.568 1.00 0.00 H new ATOM 0 HG11 VAL A 85 77.780 -9.194 0.031 1.00 0.00 H new ATOM 0 HG12 VAL A 85 77.324 -8.903 1.727 1.00 0.00 H new ATOM 0 HG13 VAL A 85 78.383 -7.751 0.880 1.00 0.00 H new ATOM 0 HG21 VAL A 85 80.118 -9.852 -0.536 1.00 0.00 H new ATOM 0 HG22 VAL A 85 80.757 -8.427 0.318 1.00 0.00 H new ATOM 0 HG23 VAL A 85 81.329 -10.056 0.752 1.00 0.00 H new ATOM 1511 N TYR A 86 78.279 -8.459 4.554 1.00 0.00 N ATOM 1512 CA TYR A 86 77.332 -8.734 5.624 1.00 0.00 C ATOM 1513 C TYR A 86 75.968 -9.096 5.047 1.00 0.00 C ATOM 1514 O TYR A 86 75.579 -8.585 3.997 1.00 0.00 O ATOM 1515 CB TYR A 86 77.198 -7.513 6.533 1.00 0.00 C ATOM 1516 CG TYR A 86 76.227 -6.543 5.918 1.00 0.00 C ATOM 1517 CD1 TYR A 86 76.628 -5.720 4.866 1.00 0.00 C ATOM 1518 CD2 TYR A 86 74.918 -6.480 6.396 1.00 0.00 C ATOM 1519 CE1 TYR A 86 75.716 -4.829 4.289 1.00 0.00 C ATOM 1520 CE2 TYR A 86 74.004 -5.590 5.821 1.00 0.00 C ATOM 1521 CZ TYR A 86 74.403 -4.763 4.767 1.00 0.00 C ATOM 1522 OH TYR A 86 73.504 -3.885 4.197 1.00 0.00 O ATOM 0 H TYR A 86 78.441 -7.469 4.368 1.00 0.00 H new ATOM 0 HA TYR A 86 77.704 -9.577 6.207 1.00 0.00 H new ATOM 0 HB2 TYR A 86 76.851 -7.816 7.521 1.00 0.00 H new ATOM 0 HB3 TYR A 86 78.169 -7.037 6.669 1.00 0.00 H new ATOM 0 HD1 TYR A 86 77.642 -5.770 4.497 1.00 0.00 H new ATOM 0 HD2 TYR A 86 74.610 -7.119 7.211 1.00 0.00 H new ATOM 0 HE1 TYR A 86 76.026 -4.192 3.474 1.00 0.00 H new ATOM 0 HE2 TYR A 86 72.991 -5.542 6.191 1.00 0.00 H new ATOM 0 HH TYR A 86 73.044 -3.384 4.903 1.00 0.00 H new ATOM 1532 N VAL A 87 75.245 -9.975 5.742 1.00 0.00 N ATOM 1533 CA VAL A 87 73.922 -10.394 5.292 1.00 0.00 C ATOM 1534 C VAL A 87 72.887 -10.170 6.390 1.00 0.00 C ATOM 1535 O VAL A 87 73.099 -10.534 7.548 1.00 0.00 O ATOM 1536 CB VAL A 87 73.942 -11.874 4.898 1.00 0.00 C ATOM 1537 CG1 VAL A 87 74.634 -12.037 3.544 1.00 0.00 C ATOM 1538 CG2 VAL A 87 74.715 -12.672 5.951 1.00 0.00 C ATOM 0 H VAL A 87 75.553 -10.407 6.613 1.00 0.00 H new ATOM 0 HA VAL A 87 73.650 -9.794 4.423 1.00 0.00 H new ATOM 0 HB VAL A 87 72.918 -12.241 4.833 1.00 0.00 H new ATOM 0 HG11 VAL A 87 74.647 -13.091 3.266 1.00 0.00 H new ATOM 0 HG12 VAL A 87 74.092 -11.469 2.788 1.00 0.00 H new ATOM 0 HG13 VAL A 87 75.657 -11.667 3.611 1.00 0.00 H new ATOM 0 HG21 VAL A 87 74.729 -13.725 5.671 1.00 0.00 H new ATOM 0 HG22 VAL A 87 75.737 -12.299 6.012 1.00 0.00 H new ATOM 0 HG23 VAL A 87 74.229 -12.561 6.921 1.00 0.00 H new ATOM 1548 N TYR A 88 71.766 -9.566 6.015 1.00 0.00 N ATOM 1549 CA TYR A 88 70.700 -9.291 6.970 1.00 0.00 C ATOM 1550 C TYR A 88 70.115 -10.594 7.508 1.00 0.00 C ATOM 1551 O TYR A 88 70.722 -11.628 7.284 1.00 0.00 O ATOM 1552 CB TYR A 88 69.598 -8.468 6.301 1.00 0.00 C ATOM 1553 CG TYR A 88 69.050 -9.230 5.120 1.00 0.00 C ATOM 1554 CD1 TYR A 88 67.973 -10.107 5.291 1.00 0.00 C ATOM 1555 CD2 TYR A 88 69.619 -9.060 3.852 1.00 0.00 C ATOM 1556 CE1 TYR A 88 67.465 -10.814 4.195 1.00 0.00 C ATOM 1557 CE2 TYR A 88 69.112 -9.767 2.756 1.00 0.00 C ATOM 1558 CZ TYR A 88 68.034 -10.645 2.928 1.00 0.00 C ATOM 1559 OH TYR A 88 67.534 -11.343 1.848 1.00 0.00 O ATOM 1560 OXT TYR A 88 69.070 -10.537 8.136 1.00 0.00 O ATOM 0 H TYR A 88 71.572 -9.259 5.062 1.00 0.00 H new ATOM 0 HA TYR A 88 71.118 -8.724 7.802 1.00 0.00 H new ATOM 0 HB2 TYR A 88 68.801 -8.259 7.015 1.00 0.00 H new ATOM 0 HB3 TYR A 88 69.994 -7.506 5.975 1.00 0.00 H new ATOM 0 HD1 TYR A 88 67.534 -10.238 6.269 1.00 0.00 H new ATOM 0 HD2 TYR A 88 70.450 -8.383 3.720 1.00 0.00 H new ATOM 0 HE1 TYR A 88 66.633 -11.490 4.327 1.00 0.00 H new ATOM 0 HE2 TYR A 88 69.551 -9.636 1.778 1.00 0.00 H new ATOM 0 HH TYR A 88 68.042 -11.109 1.043 1.00 0.00 H new TER 1570 TYR A 88