USER MOD reduce.3.24.130724 H: found=0, std=0, add=779, rem=0, adj=29 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 29 GLN : amide:sc= -3.1 K(o=-4.9,f=-11!) USER MOD Set 1.2: A 69 TYR OH : rot 89:sc= -1.8! USER MOD Set 2.1: A 9 LYS NZ :NH3+ -155:sc= -0.108 (180deg=-0.533) USER MOD Set 2.2: A 10 SER OG : rot -26:sc= 0.55 USER MOD Set 3.1: A 0 MET CE :methyl 159:sc= -0.411 (180deg=-0.432) USER MOD Set 3.2: A -3 GLY N :NH3+ -144:sc= 0 (180deg=0) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 8:sc= 0.104 USER MOD Single : A 4 SER OG : rot 180:sc= 0.541 USER MOD Single : A 7 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.24) USER MOD Single : A -1 HIS : no HD1:sc= -0.188 X(o=-0.19,f=0) USER MOD Single : A -2 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 154:sc=-0.00411 (180deg=-0.182) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot -24:sc= 0.357 USER MOD Single : A 23 ASN : amide:sc= -3.07! K(o=-3.1!,f=-1.7) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= -0.385 K(o=-0.39,f=-2.1) USER MOD Single : A 32 TYR OH : rot 180:sc= -2.6! USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ -151:sc= 0.254 (180deg=0.0416) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 LYS NZ :NH3+ -147:sc= 0.0564 (180deg=0) USER MOD Single : A 43 GLN : amide:sc= -2.19! K(o=-2.2!,f=-1.2) USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot -140:sc= -0.482 USER MOD Single : A 55 TYR OH : rot -127:sc= 0.461 USER MOD Single : A 57 LYS NZ :NH3+ -157:sc= -0.0622 (180deg=-0.445) USER MOD Single : A 58 LYS NZ :NH3+ 159:sc= -0.0876 (180deg=-0.625) USER MOD Single : A 60 GLN : amide:sc= -1.63 K(o=-1.6,f=-3.2!) USER MOD Single : A 64 ASN : amide:sc= 0 K(o=0,f=-0.95) USER MOD Single : A 65 THR OG1 : rot -140:sc= -0.158 USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 ASN : amide:sc= -5.81! K(o=-5.8!,f=-1.8) USER MOD Single : A 71 LYS NZ :NH3+ 150:sc= -1.06 (180deg=-2.71!) USER MOD Single : A 75 CYS SG : rot 170:sc= -3.4 USER MOD Single : A 78 LYS NZ :NH3+ -162:sc= -0.0156 (180deg=-0.227) USER MOD Single : A 81 HIS : no HD1:sc= -0.123 X(o=-0.12,f=0) USER MOD Single : A 82 LYS NZ :NH3+ -100:sc= -0.588 (180deg=-1.89!) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 TYR OH : rot -147:sc= -1.75 USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -3 54.751 -3.650 19.665 1.00 0.00 N ATOM 2 CA GLY A -3 54.038 -2.360 19.891 1.00 0.00 C ATOM 3 C GLY A -3 53.836 -1.649 18.558 1.00 0.00 C ATOM 4 O GLY A -3 54.473 -0.632 18.283 1.00 0.00 O ATOM 0 H1 GLY A -3 54.388 -4.367 20.325 1.00 0.00 H new ATOM 0 H2 GLY A -3 54.593 -3.967 18.687 1.00 0.00 H new ATOM 0 H3 GLY A -3 55.770 -3.516 19.825 1.00 0.00 H new ATOM 0 HA2 GLY A -3 53.075 -2.543 20.367 1.00 0.00 H new ATOM 0 HA3 GLY A -3 54.613 -1.729 20.568 1.00 0.00 H new ATOM 10 N SER A -2 52.949 -2.193 17.731 1.00 0.00 N ATOM 11 CA SER A -2 52.672 -1.601 16.427 1.00 0.00 C ATOM 12 C SER A -2 53.967 -1.157 15.756 1.00 0.00 C ATOM 13 O SER A -2 54.950 -1.897 15.730 1.00 0.00 O ATOM 14 CB SER A -2 51.739 -0.401 16.585 1.00 0.00 C ATOM 15 OG SER A -2 50.597 -0.789 17.337 1.00 0.00 O ATOM 0 H SER A -2 52.413 -3.036 17.938 1.00 0.00 H new ATOM 0 HA SER A -2 52.191 -2.353 15.802 1.00 0.00 H new ATOM 0 HB2 SER A -2 52.259 0.415 17.087 1.00 0.00 H new ATOM 0 HB3 SER A -2 51.435 -0.031 15.606 1.00 0.00 H new ATOM 0 HG SER A -2 49.998 -0.021 17.441 1.00 0.00 H new ATOM 21 N HIS A -1 53.959 0.056 15.209 1.00 0.00 N ATOM 22 CA HIS A -1 55.138 0.587 14.538 1.00 0.00 C ATOM 23 C HIS A -1 56.143 1.109 15.559 1.00 0.00 C ATOM 24 O HIS A -1 55.761 1.557 16.641 1.00 0.00 O ATOM 25 CB HIS A -1 54.736 1.721 13.592 1.00 0.00 C ATOM 26 CG HIS A -1 53.882 1.167 12.484 1.00 0.00 C ATOM 27 ND1 HIS A -1 53.274 1.983 11.543 1.00 0.00 N ATOM 28 CD2 HIS A -1 53.516 -0.116 12.159 1.00 0.00 C ATOM 29 CE1 HIS A -1 52.583 1.189 10.705 1.00 0.00 C ATOM 30 NE2 HIS A -1 52.697 -0.099 11.035 1.00 0.00 N ATOM 0 H HIS A -1 53.155 0.684 15.218 1.00 0.00 H new ATOM 0 HA HIS A -1 55.600 -0.217 13.965 1.00 0.00 H new ATOM 0 HB2 HIS A -1 54.189 2.489 14.139 1.00 0.00 H new ATOM 0 HB3 HIS A -1 55.625 2.197 13.178 1.00 0.00 H new ATOM 0 HD2 HIS A -1 53.818 -1.004 12.695 1.00 0.00 H new ATOM 0 HE1 HIS A -1 52.006 1.550 9.867 1.00 0.00 H new ATOM 0 HE2 HIS A -1 52.274 -0.899 10.564 1.00 0.00 H new ATOM 38 N MET A 0 57.425 1.044 15.210 1.00 0.00 N ATOM 39 CA MET A 0 58.480 1.512 16.104 1.00 0.00 C ATOM 40 C MET A 0 59.379 2.519 15.392 1.00 0.00 C ATOM 41 O MET A 0 59.126 3.723 15.428 1.00 0.00 O ATOM 42 CB MET A 0 59.315 0.326 16.589 1.00 0.00 C ATOM 43 CG MET A 0 58.407 -0.689 17.283 1.00 0.00 C ATOM 44 SD MET A 0 57.721 -1.825 16.051 1.00 0.00 S ATOM 45 CE MET A 0 57.112 -3.075 17.209 1.00 0.00 C ATOM 0 H MET A 0 57.757 0.674 14.319 1.00 0.00 H new ATOM 0 HA MET A 0 58.017 2.002 16.960 1.00 0.00 H new ATOM 0 HB2 MET A 0 59.824 -0.142 15.747 1.00 0.00 H new ATOM 0 HB3 MET A 0 60.087 0.669 17.277 1.00 0.00 H new ATOM 0 HG2 MET A 0 58.971 -1.245 18.032 1.00 0.00 H new ATOM 0 HG3 MET A 0 57.602 -0.174 17.807 1.00 0.00 H new ATOM 0 HE1 MET A 0 56.341 -3.674 16.725 1.00 0.00 H new ATOM 0 HE2 MET A 0 57.936 -3.721 17.513 1.00 0.00 H new ATOM 0 HE3 MET A 0 56.692 -2.584 18.087 1.00 0.00 H new ATOM 55 N MET A 1 60.429 2.018 14.748 1.00 0.00 N ATOM 56 CA MET A 1 61.364 2.876 14.032 1.00 0.00 C ATOM 57 C MET A 1 61.647 2.320 12.640 1.00 0.00 C ATOM 58 O MET A 1 61.486 1.127 12.390 1.00 0.00 O ATOM 59 CB MET A 1 62.668 3.001 14.816 1.00 0.00 C ATOM 60 CG MET A 1 62.412 3.754 16.121 1.00 0.00 C ATOM 61 SD MET A 1 63.945 3.830 17.082 1.00 0.00 S ATOM 62 CE MET A 1 63.297 4.803 18.464 1.00 0.00 C ATOM 0 H MET A 1 60.652 1.024 14.708 1.00 0.00 H new ATOM 0 HA MET A 1 60.913 3.863 13.927 1.00 0.00 H new ATOM 0 HB2 MET A 1 63.072 2.011 15.029 1.00 0.00 H new ATOM 0 HB3 MET A 1 63.413 3.528 14.220 1.00 0.00 H new ATOM 0 HG2 MET A 1 62.053 4.761 15.908 1.00 0.00 H new ATOM 0 HG3 MET A 1 61.634 3.253 16.696 1.00 0.00 H new ATOM 0 HE1 MET A 1 64.090 4.973 19.193 1.00 0.00 H new ATOM 0 HE2 MET A 1 62.932 5.762 18.095 1.00 0.00 H new ATOM 0 HE3 MET A 1 62.478 4.262 18.938 1.00 0.00 H new ATOM 72 N ALA A 2 62.066 3.195 11.732 1.00 0.00 N ATOM 73 CA ALA A 2 62.358 2.774 10.367 1.00 0.00 C ATOM 74 C ALA A 2 63.417 1.676 10.360 1.00 0.00 C ATOM 75 O ALA A 2 64.490 1.828 10.945 1.00 0.00 O ATOM 76 CB ALA A 2 62.859 3.970 9.554 1.00 0.00 C ATOM 0 H ALA A 2 62.210 4.188 11.913 1.00 0.00 H new ATOM 0 HA ALA A 2 61.443 2.384 9.921 1.00 0.00 H new ATOM 0 HB1 ALA A 2 63.076 3.652 8.534 1.00 0.00 H new ATOM 0 HB2 ALA A 2 62.093 4.745 9.537 1.00 0.00 H new ATOM 0 HB3 ALA A 2 63.766 4.367 10.011 1.00 0.00 H new ATOM 82 N THR A 3 63.108 0.571 9.686 1.00 0.00 N ATOM 83 CA THR A 3 64.041 -0.548 9.604 1.00 0.00 C ATOM 84 C THR A 3 64.569 -0.914 10.986 1.00 0.00 C ATOM 85 O THR A 3 65.501 -1.708 11.110 1.00 0.00 O ATOM 86 CB THR A 3 65.212 -0.181 8.690 1.00 0.00 C ATOM 87 OG1 THR A 3 65.969 0.863 9.289 1.00 0.00 O ATOM 88 CG2 THR A 3 64.679 0.284 7.335 1.00 0.00 C ATOM 0 H THR A 3 62.227 0.427 9.193 1.00 0.00 H new ATOM 0 HA THR A 3 63.511 -1.408 9.194 1.00 0.00 H new ATOM 0 HB THR A 3 65.848 -1.054 8.546 1.00 0.00 H new ATOM 0 HG1 THR A 3 65.641 1.025 10.198 1.00 0.00 H new ATOM 0 HG21 THR A 3 65.515 0.545 6.685 1.00 0.00 H new ATOM 0 HG22 THR A 3 64.100 -0.518 6.877 1.00 0.00 H new ATOM 0 HG23 THR A 3 64.042 1.157 7.475 1.00 0.00 H new ATOM 96 N SER A 4 63.968 -0.331 12.023 1.00 0.00 N ATOM 97 CA SER A 4 64.387 -0.598 13.392 1.00 0.00 C ATOM 98 C SER A 4 65.904 -0.714 13.473 1.00 0.00 C ATOM 99 O SER A 4 66.621 -0.214 12.606 1.00 0.00 O ATOM 100 CB SER A 4 63.743 -1.889 13.892 1.00 0.00 C ATOM 101 OG SER A 4 64.024 -2.046 15.276 1.00 0.00 O ATOM 0 H SER A 4 63.193 0.326 11.938 1.00 0.00 H new ATOM 0 HA SER A 4 64.065 0.232 14.021 1.00 0.00 H new ATOM 0 HB2 SER A 4 62.666 -1.859 13.729 1.00 0.00 H new ATOM 0 HB3 SER A 4 64.127 -2.742 13.332 1.00 0.00 H new ATOM 0 HG SER A 4 63.611 -2.873 15.602 1.00 0.00 H new ATOM 107 N ASP A 5 66.385 -1.387 14.513 1.00 0.00 N ATOM 108 CA ASP A 5 67.821 -1.571 14.689 1.00 0.00 C ATOM 109 C ASP A 5 68.126 -3.008 15.095 1.00 0.00 C ATOM 110 O ASP A 5 68.013 -3.367 16.267 1.00 0.00 O ATOM 111 CB ASP A 5 68.343 -0.618 15.764 1.00 0.00 C ATOM 112 CG ASP A 5 69.849 -0.789 15.925 1.00 0.00 C ATOM 113 OD1 ASP A 5 70.568 -0.436 15.005 1.00 0.00 O ATOM 114 OD2 ASP A 5 70.263 -1.272 16.967 1.00 0.00 O ATOM 0 H ASP A 5 65.808 -1.810 15.240 1.00 0.00 H new ATOM 0 HA ASP A 5 68.315 -1.355 13.742 1.00 0.00 H new ATOM 0 HB2 ASP A 5 68.113 0.412 15.492 1.00 0.00 H new ATOM 0 HB3 ASP A 5 67.843 -0.817 16.712 1.00 0.00 H new ATOM 119 N VAL A 6 68.516 -3.822 14.117 1.00 0.00 N ATOM 120 CA VAL A 6 68.840 -5.222 14.375 1.00 0.00 C ATOM 121 C VAL A 6 70.294 -5.513 14.029 1.00 0.00 C ATOM 122 O VAL A 6 70.763 -5.177 12.941 1.00 0.00 O ATOM 123 CB VAL A 6 67.929 -6.134 13.554 1.00 0.00 C ATOM 124 CG1 VAL A 6 68.324 -7.593 13.787 1.00 0.00 C ATOM 125 CG2 VAL A 6 66.476 -5.926 13.991 1.00 0.00 C ATOM 0 H VAL A 6 68.615 -3.537 13.142 1.00 0.00 H new ATOM 0 HA VAL A 6 68.686 -5.415 15.437 1.00 0.00 H new ATOM 0 HB VAL A 6 68.031 -5.894 12.496 1.00 0.00 H new ATOM 0 HG11 VAL A 6 67.674 -8.244 13.202 1.00 0.00 H new ATOM 0 HG12 VAL A 6 69.359 -7.743 13.481 1.00 0.00 H new ATOM 0 HG13 VAL A 6 68.220 -7.834 14.845 1.00 0.00 H new ATOM 0 HG21 VAL A 6 65.824 -6.575 13.407 1.00 0.00 H new ATOM 0 HG22 VAL A 6 66.376 -6.168 15.049 1.00 0.00 H new ATOM 0 HG23 VAL A 6 66.192 -4.886 13.828 1.00 0.00 H new ATOM 135 N LYS A 7 71.001 -6.142 14.959 1.00 0.00 N ATOM 136 CA LYS A 7 72.396 -6.472 14.739 1.00 0.00 C ATOM 137 C LYS A 7 72.539 -7.456 13.584 1.00 0.00 C ATOM 138 O LYS A 7 71.615 -8.211 13.282 1.00 0.00 O ATOM 139 CB LYS A 7 73.003 -7.082 16.012 1.00 0.00 C ATOM 140 CG LYS A 7 73.261 -5.975 17.037 1.00 0.00 C ATOM 141 CD LYS A 7 74.614 -5.301 16.756 1.00 0.00 C ATOM 142 CE LYS A 7 74.949 -4.340 17.894 1.00 0.00 C ATOM 143 NZ LYS A 7 73.960 -3.227 17.909 1.00 0.00 N ATOM 0 H LYS A 7 70.632 -6.430 15.865 1.00 0.00 H new ATOM 0 HA LYS A 7 72.928 -5.554 14.489 1.00 0.00 H new ATOM 0 HB2 LYS A 7 72.326 -7.828 16.429 1.00 0.00 H new ATOM 0 HB3 LYS A 7 73.934 -7.595 15.773 1.00 0.00 H new ATOM 0 HG2 LYS A 7 72.461 -5.235 16.994 1.00 0.00 H new ATOM 0 HG3 LYS A 7 73.256 -6.392 18.044 1.00 0.00 H new ATOM 0 HD2 LYS A 7 75.395 -6.055 16.660 1.00 0.00 H new ATOM 0 HD3 LYS A 7 74.574 -4.761 15.810 1.00 0.00 H new ATOM 0 HE2 LYS A 7 74.933 -4.868 18.847 1.00 0.00 H new ATOM 0 HE3 LYS A 7 75.956 -3.944 17.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 74.304 -2.465 18.528 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 73.836 -2.860 16.944 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 73.048 -3.578 18.266 1.00 0.00 H new ATOM 157 N PRO A 8 73.676 -7.457 12.933 1.00 0.00 N ATOM 158 CA PRO A 8 73.938 -8.362 11.777 1.00 0.00 C ATOM 159 C PRO A 8 73.707 -9.828 12.127 1.00 0.00 C ATOM 160 O PRO A 8 73.846 -10.232 13.280 1.00 0.00 O ATOM 161 CB PRO A 8 75.415 -8.107 11.440 1.00 0.00 C ATOM 162 CG PRO A 8 75.984 -7.365 12.598 1.00 0.00 C ATOM 163 CD PRO A 8 74.835 -6.598 13.216 1.00 0.00 C ATOM 0 HA PRO A 8 73.265 -8.162 10.943 1.00 0.00 H new ATOM 0 HB2 PRO A 8 75.945 -9.046 11.281 1.00 0.00 H new ATOM 0 HB3 PRO A 8 75.510 -7.527 10.522 1.00 0.00 H new ATOM 0 HG2 PRO A 8 76.427 -8.051 13.320 1.00 0.00 H new ATOM 0 HG3 PRO A 8 76.775 -6.688 12.275 1.00 0.00 H new ATOM 0 HD2 PRO A 8 74.977 -6.451 14.287 1.00 0.00 H new ATOM 0 HD3 PRO A 8 74.723 -5.609 12.771 1.00 0.00 H new ATOM 171 N LYS A 9 73.357 -10.618 11.118 1.00 0.00 N ATOM 172 CA LYS A 9 73.111 -12.042 11.319 1.00 0.00 C ATOM 173 C LYS A 9 74.385 -12.851 11.150 1.00 0.00 C ATOM 174 O LYS A 9 74.663 -13.764 11.930 1.00 0.00 O ATOM 175 CB LYS A 9 72.049 -12.536 10.334 1.00 0.00 C ATOM 176 CG LYS A 9 72.047 -14.066 10.308 1.00 0.00 C ATOM 177 CD LYS A 9 70.773 -14.560 9.630 1.00 0.00 C ATOM 178 CE LYS A 9 70.891 -16.062 9.356 1.00 0.00 C ATOM 179 NZ LYS A 9 71.902 -16.291 8.286 1.00 0.00 N ATOM 0 H LYS A 9 73.238 -10.299 10.157 1.00 0.00 H new ATOM 0 HA LYS A 9 72.753 -12.180 12.339 1.00 0.00 H new ATOM 0 HB2 LYS A 9 71.066 -12.166 10.627 1.00 0.00 H new ATOM 0 HB3 LYS A 9 72.253 -12.145 9.337 1.00 0.00 H new ATOM 0 HG2 LYS A 9 72.923 -14.433 9.772 1.00 0.00 H new ATOM 0 HG3 LYS A 9 72.107 -14.458 11.323 1.00 0.00 H new ATOM 0 HD2 LYS A 9 69.910 -14.362 10.265 1.00 0.00 H new ATOM 0 HD3 LYS A 9 70.612 -14.021 8.697 1.00 0.00 H new ATOM 0 HE2 LYS A 9 71.182 -16.587 10.266 1.00 0.00 H new ATOM 0 HE3 LYS A 9 69.925 -16.464 9.051 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 71.701 -17.191 7.805 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 71.860 -15.513 7.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 72.852 -16.329 8.708 1.00 0.00 H new ATOM 193 N SER A 10 75.157 -12.515 10.122 1.00 0.00 N ATOM 194 CA SER A 10 76.403 -13.227 9.855 1.00 0.00 C ATOM 195 C SER A 10 77.286 -12.432 8.898 1.00 0.00 C ATOM 196 O SER A 10 76.864 -11.416 8.346 1.00 0.00 O ATOM 197 CB SER A 10 76.094 -14.594 9.239 1.00 0.00 C ATOM 198 OG SER A 10 75.275 -15.340 10.131 1.00 0.00 O ATOM 0 H SER A 10 74.946 -11.763 9.466 1.00 0.00 H new ATOM 0 HA SER A 10 76.934 -13.356 10.798 1.00 0.00 H new ATOM 0 HB2 SER A 10 75.587 -14.468 8.282 1.00 0.00 H new ATOM 0 HB3 SER A 10 77.020 -15.134 9.041 1.00 0.00 H new ATOM 0 HG SER A 10 75.431 -15.037 11.050 1.00 0.00 H new ATOM 204 N ILE A 11 78.510 -12.901 8.703 1.00 0.00 N ATOM 205 CA ILE A 11 79.439 -12.235 7.796 1.00 0.00 C ATOM 206 C ILE A 11 80.108 -13.252 6.883 1.00 0.00 C ATOM 207 O ILE A 11 80.733 -14.199 7.357 1.00 0.00 O ATOM 208 CB ILE A 11 80.492 -11.470 8.588 1.00 0.00 C ATOM 209 CG1 ILE A 11 79.802 -10.474 9.523 1.00 0.00 C ATOM 210 CG2 ILE A 11 81.407 -10.711 7.624 1.00 0.00 C ATOM 211 CD1 ILE A 11 79.737 -11.062 10.934 1.00 0.00 C ATOM 0 H ILE A 11 78.883 -13.735 9.157 1.00 0.00 H new ATOM 0 HA ILE A 11 78.879 -11.529 7.182 1.00 0.00 H new ATOM 0 HB ILE A 11 81.085 -12.172 9.175 1.00 0.00 H new ATOM 0 HG12 ILE A 11 80.349 -9.531 9.535 1.00 0.00 H new ATOM 0 HG13 ILE A 11 78.797 -10.255 9.162 1.00 0.00 H new ATOM 0 HG21 ILE A 11 82.160 -10.164 8.192 1.00 0.00 H new ATOM 0 HG22 ILE A 11 81.899 -11.418 6.956 1.00 0.00 H new ATOM 0 HG23 ILE A 11 80.815 -10.009 7.037 1.00 0.00 H new ATOM 0 HD11 ILE A 11 79.246 -10.354 11.601 1.00 0.00 H new ATOM 0 HD12 ILE A 11 79.172 -11.994 10.914 1.00 0.00 H new ATOM 0 HD13 ILE A 11 80.747 -11.258 11.293 1.00 0.00 H new ATOM 223 N SER A 12 79.976 -13.058 5.573 1.00 0.00 N ATOM 224 CA SER A 12 80.577 -13.974 4.612 1.00 0.00 C ATOM 225 C SER A 12 81.265 -13.213 3.491 1.00 0.00 C ATOM 226 O SER A 12 80.734 -12.239 2.986 1.00 0.00 O ATOM 227 CB SER A 12 79.489 -14.875 4.015 1.00 0.00 C ATOM 228 OG SER A 12 78.884 -15.628 5.059 1.00 0.00 O ATOM 0 H SER A 12 79.462 -12.281 5.157 1.00 0.00 H new ATOM 0 HA SER A 12 81.321 -14.577 5.132 1.00 0.00 H new ATOM 0 HB2 SER A 12 78.739 -14.271 3.504 1.00 0.00 H new ATOM 0 HB3 SER A 12 79.921 -15.544 3.271 1.00 0.00 H new ATOM 0 HG SER A 12 78.186 -16.205 4.684 1.00 0.00 H new ATOM 234 N ARG A 13 82.451 -13.658 3.106 1.00 0.00 N ATOM 235 CA ARG A 13 83.200 -12.985 2.055 1.00 0.00 C ATOM 236 C ARG A 13 82.539 -13.237 0.704 1.00 0.00 C ATOM 237 O ARG A 13 81.846 -14.234 0.505 1.00 0.00 O ATOM 238 CB ARG A 13 84.639 -13.513 2.023 1.00 0.00 C ATOM 239 CG ARG A 13 85.313 -13.260 3.373 1.00 0.00 C ATOM 240 CD ARG A 13 85.399 -14.569 4.161 1.00 0.00 C ATOM 241 NE ARG A 13 85.719 -14.297 5.557 1.00 0.00 N ATOM 242 CZ ARG A 13 86.952 -13.968 5.930 1.00 0.00 C ATOM 243 NH1 ARG A 13 87.901 -13.881 5.039 1.00 0.00 N ATOM 244 NH2 ARG A 13 87.212 -13.730 7.186 1.00 0.00 N ATOM 0 H ARG A 13 82.914 -14.476 3.502 1.00 0.00 H new ATOM 0 HA ARG A 13 83.210 -11.914 2.258 1.00 0.00 H new ATOM 0 HB2 ARG A 13 84.640 -14.580 1.800 1.00 0.00 H new ATOM 0 HB3 ARG A 13 85.199 -13.021 1.228 1.00 0.00 H new ATOM 0 HG2 ARG A 13 86.311 -12.850 3.221 1.00 0.00 H new ATOM 0 HG3 ARG A 13 84.748 -12.520 3.939 1.00 0.00 H new ATOM 0 HD2 ARG A 13 84.452 -15.104 4.095 1.00 0.00 H new ATOM 0 HD3 ARG A 13 86.161 -15.215 3.725 1.00 0.00 H new ATOM 0 HE ARG A 13 84.983 -14.360 6.261 1.00 0.00 H new ATOM 0 HH11 ARG A 13 87.697 -14.065 4.057 1.00 0.00 H new ATOM 0 HH12 ARG A 13 88.847 -13.629 5.325 1.00 0.00 H new ATOM 0 HH21 ARG A 13 86.469 -13.796 7.882 1.00 0.00 H new ATOM 0 HH22 ARG A 13 88.158 -13.478 7.472 1.00 0.00 H new ATOM 258 N ALA A 14 82.742 -12.304 -0.213 1.00 0.00 N ATOM 259 CA ALA A 14 82.164 -12.395 -1.551 1.00 0.00 C ATOM 260 C ALA A 14 82.948 -13.357 -2.423 1.00 0.00 C ATOM 261 O ALA A 14 84.101 -13.664 -2.125 1.00 0.00 O ATOM 262 CB ALA A 14 82.117 -11.029 -2.210 1.00 0.00 C ATOM 0 H ALA A 14 83.306 -11.469 -0.056 1.00 0.00 H new ATOM 0 HA ALA A 14 81.147 -12.773 -1.444 1.00 0.00 H new ATOM 0 HB1 ALA A 14 81.683 -11.120 -3.206 1.00 0.00 H new ATOM 0 HB2 ALA A 14 81.507 -10.356 -1.608 1.00 0.00 H new ATOM 0 HB3 ALA A 14 83.128 -10.629 -2.290 1.00 0.00 H new ATOM 268 N LYS A 15 82.320 -13.850 -3.493 1.00 0.00 N ATOM 269 CA LYS A 15 82.981 -14.778 -4.396 1.00 0.00 C ATOM 270 C LYS A 15 83.699 -14.019 -5.507 1.00 0.00 C ATOM 271 O LYS A 15 84.816 -14.367 -5.882 1.00 0.00 O ATOM 272 CB LYS A 15 81.957 -15.721 -5.010 1.00 0.00 C ATOM 273 CG LYS A 15 82.656 -17.005 -5.465 1.00 0.00 C ATOM 274 CD LYS A 15 82.639 -18.025 -4.325 1.00 0.00 C ATOM 275 CE LYS A 15 81.209 -18.528 -4.096 1.00 0.00 C ATOM 276 NZ LYS A 15 80.754 -18.121 -2.738 1.00 0.00 N ATOM 0 H LYS A 15 81.360 -13.620 -3.749 1.00 0.00 H new ATOM 0 HA LYS A 15 83.712 -15.353 -3.827 1.00 0.00 H new ATOM 0 HB2 LYS A 15 81.180 -15.955 -4.282 1.00 0.00 H new ATOM 0 HB3 LYS A 15 81.466 -15.241 -5.857 1.00 0.00 H new ATOM 0 HG2 LYS A 15 82.154 -17.414 -6.341 1.00 0.00 H new ATOM 0 HG3 LYS A 15 83.683 -16.788 -5.758 1.00 0.00 H new ATOM 0 HD2 LYS A 15 83.294 -18.862 -4.565 1.00 0.00 H new ATOM 0 HD3 LYS A 15 83.024 -17.570 -3.413 1.00 0.00 H new ATOM 0 HE2 LYS A 15 80.541 -18.117 -4.854 1.00 0.00 H new ATOM 0 HE3 LYS A 15 81.173 -19.613 -4.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 79.716 -18.050 -2.726 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 81.061 -18.830 -2.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 81.167 -17.198 -2.496 1.00 0.00 H new ATOM 290 N LYS A 16 83.045 -12.974 -6.023 1.00 0.00 N ATOM 291 CA LYS A 16 83.629 -12.162 -7.087 1.00 0.00 C ATOM 292 C LYS A 16 83.477 -10.673 -6.788 1.00 0.00 C ATOM 293 O LYS A 16 83.019 -10.289 -5.717 1.00 0.00 O ATOM 294 CB LYS A 16 83.000 -12.509 -8.428 1.00 0.00 C ATOM 295 CG LYS A 16 84.084 -12.601 -9.509 1.00 0.00 C ATOM 296 CD LYS A 16 84.744 -13.984 -9.455 1.00 0.00 C ATOM 297 CE LYS A 16 85.962 -14.001 -10.378 1.00 0.00 C ATOM 298 NZ LYS A 16 86.563 -15.364 -10.380 1.00 0.00 N ATOM 0 H LYS A 16 82.118 -12.674 -5.722 1.00 0.00 H new ATOM 0 HA LYS A 16 84.695 -12.385 -7.137 1.00 0.00 H new ATOM 0 HB2 LYS A 16 82.467 -13.457 -8.354 1.00 0.00 H new ATOM 0 HB3 LYS A 16 82.266 -11.751 -8.701 1.00 0.00 H new ATOM 0 HG2 LYS A 16 83.646 -12.433 -10.493 1.00 0.00 H new ATOM 0 HG3 LYS A 16 84.832 -11.823 -9.356 1.00 0.00 H new ATOM 0 HD2 LYS A 16 85.045 -14.216 -8.433 1.00 0.00 H new ATOM 0 HD3 LYS A 16 84.032 -14.751 -9.760 1.00 0.00 H new ATOM 0 HE2 LYS A 16 85.669 -13.719 -11.389 1.00 0.00 H new ATOM 0 HE3 LYS A 16 86.696 -13.268 -10.043 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 87.392 -15.377 -11.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 86.856 -15.616 -9.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 85.861 -16.052 -10.719 1.00 0.00 H new ATOM 312 N TRP A 17 83.857 -9.846 -7.751 1.00 0.00 N ATOM 313 CA TRP A 17 83.762 -8.399 -7.592 1.00 0.00 C ATOM 314 C TRP A 17 82.494 -7.838 -8.210 1.00 0.00 C ATOM 315 O TRP A 17 82.194 -8.088 -9.377 1.00 0.00 O ATOM 316 CB TRP A 17 84.986 -7.732 -8.216 1.00 0.00 C ATOM 317 CG TRP A 17 84.739 -6.264 -8.341 1.00 0.00 C ATOM 318 CD1 TRP A 17 84.785 -5.376 -7.324 1.00 0.00 C ATOM 319 CD2 TRP A 17 84.431 -5.497 -9.542 1.00 0.00 C ATOM 320 NE1 TRP A 17 84.507 -4.115 -7.818 1.00 0.00 N ATOM 321 CE2 TRP A 17 84.286 -4.138 -9.182 1.00 0.00 C ATOM 322 CE3 TRP A 17 84.260 -5.845 -10.895 1.00 0.00 C ATOM 323 CZ2 TRP A 17 83.984 -3.160 -10.128 1.00 0.00 C ATOM 324 CZ3 TRP A 17 83.956 -4.862 -11.850 1.00 0.00 C ATOM 325 CH2 TRP A 17 83.818 -3.521 -11.467 1.00 0.00 C ATOM 0 H TRP A 17 84.233 -10.149 -8.649 1.00 0.00 H new ATOM 0 HA TRP A 17 83.726 -8.185 -6.524 1.00 0.00 H new ATOM 0 HB2 TRP A 17 85.867 -7.913 -7.600 1.00 0.00 H new ATOM 0 HB3 TRP A 17 85.189 -8.163 -9.196 1.00 0.00 H new ATOM 0 HD1 TRP A 17 85.003 -5.613 -6.293 1.00 0.00 H new ATOM 0 HE1 TRP A 17 84.470 -3.271 -7.246 1.00 0.00 H new ATOM 0 HE3 TRP A 17 84.363 -6.876 -11.201 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 83.879 -2.128 -9.827 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 83.828 -5.141 -12.886 1.00 0.00 H new ATOM 0 HH2 TRP A 17 83.584 -2.769 -12.205 1.00 0.00 H new ATOM 336 N SER A 18 81.751 -7.064 -7.421 1.00 0.00 N ATOM 337 CA SER A 18 80.521 -6.456 -7.912 1.00 0.00 C ATOM 338 C SER A 18 80.194 -5.192 -7.118 1.00 0.00 C ATOM 339 O SER A 18 80.632 -5.033 -5.980 1.00 0.00 O ATOM 340 CB SER A 18 79.364 -7.448 -7.801 1.00 0.00 C ATOM 341 OG SER A 18 79.714 -8.650 -8.476 1.00 0.00 O ATOM 0 H SER A 18 81.977 -6.846 -6.451 1.00 0.00 H new ATOM 0 HA SER A 18 80.664 -6.187 -8.958 1.00 0.00 H new ATOM 0 HB2 SER A 18 79.146 -7.655 -6.753 1.00 0.00 H new ATOM 0 HB3 SER A 18 78.460 -7.022 -8.237 1.00 0.00 H new ATOM 0 HG SER A 18 80.396 -8.458 -9.153 1.00 0.00 H new ATOM 347 N GLU A 19 79.424 -4.301 -7.731 1.00 0.00 N ATOM 348 CA GLU A 19 79.047 -3.058 -7.072 1.00 0.00 C ATOM 349 C GLU A 19 78.613 -3.330 -5.641 1.00 0.00 C ATOM 350 O GLU A 19 78.773 -2.484 -4.769 1.00 0.00 O ATOM 351 CB GLU A 19 77.900 -2.388 -7.835 1.00 0.00 C ATOM 352 CG GLU A 19 77.582 -1.031 -7.202 1.00 0.00 C ATOM 353 CD GLU A 19 76.483 -0.331 -7.994 1.00 0.00 C ATOM 354 OE1 GLU A 19 76.020 -0.907 -8.966 1.00 0.00 O ATOM 355 OE2 GLU A 19 76.121 0.772 -7.619 1.00 0.00 O ATOM 0 H GLU A 19 79.052 -4.414 -8.674 1.00 0.00 H new ATOM 0 HA GLU A 19 79.912 -2.395 -7.062 1.00 0.00 H new ATOM 0 HB2 GLU A 19 78.175 -2.256 -8.882 1.00 0.00 H new ATOM 0 HB3 GLU A 19 77.016 -3.025 -7.815 1.00 0.00 H new ATOM 0 HG2 GLU A 19 77.266 -1.168 -6.168 1.00 0.00 H new ATOM 0 HG3 GLU A 19 78.478 -0.411 -7.182 1.00 0.00 H new ATOM 362 N GLU A 20 78.079 -4.517 -5.399 1.00 0.00 N ATOM 363 CA GLU A 20 77.647 -4.880 -4.054 1.00 0.00 C ATOM 364 C GLU A 20 78.842 -5.065 -3.126 1.00 0.00 C ATOM 365 O GLU A 20 78.840 -4.583 -1.992 1.00 0.00 O ATOM 366 CB GLU A 20 76.834 -6.178 -4.114 1.00 0.00 C ATOM 367 CG GLU A 20 75.471 -5.903 -4.757 1.00 0.00 C ATOM 368 CD GLU A 20 75.636 -5.684 -6.256 1.00 0.00 C ATOM 369 OE1 GLU A 20 76.695 -6.002 -6.770 1.00 0.00 O ATOM 370 OE2 GLU A 20 74.699 -5.198 -6.868 1.00 0.00 O ATOM 0 H GLU A 20 77.935 -5.239 -6.105 1.00 0.00 H new ATOM 0 HA GLU A 20 77.030 -4.073 -3.659 1.00 0.00 H new ATOM 0 HB2 GLU A 20 77.373 -6.930 -4.689 1.00 0.00 H new ATOM 0 HB3 GLU A 20 76.699 -6.581 -3.110 1.00 0.00 H new ATOM 0 HG2 GLU A 20 74.798 -6.741 -4.576 1.00 0.00 H new ATOM 0 HG3 GLU A 20 75.015 -5.024 -4.301 1.00 0.00 H new ATOM 377 N ILE A 21 79.861 -5.765 -3.609 1.00 0.00 N ATOM 378 CA ILE A 21 81.043 -6.011 -2.790 1.00 0.00 C ATOM 379 C ILE A 21 81.854 -4.740 -2.642 1.00 0.00 C ATOM 380 O ILE A 21 82.071 -4.267 -1.530 1.00 0.00 O ATOM 381 CB ILE A 21 81.905 -7.107 -3.445 1.00 0.00 C ATOM 382 CG1 ILE A 21 80.994 -8.190 -4.036 1.00 0.00 C ATOM 383 CG2 ILE A 21 82.838 -7.736 -2.405 1.00 0.00 C ATOM 384 CD1 ILE A 21 79.902 -8.566 -3.032 1.00 0.00 C ATOM 0 H ILE A 21 79.895 -6.166 -4.546 1.00 0.00 H new ATOM 0 HA ILE A 21 80.726 -6.341 -1.801 1.00 0.00 H new ATOM 0 HB ILE A 21 82.506 -6.660 -4.237 1.00 0.00 H new ATOM 0 HG12 ILE A 21 80.541 -7.830 -4.960 1.00 0.00 H new ATOM 0 HG13 ILE A 21 81.583 -9.071 -4.292 1.00 0.00 H new ATOM 0 HG21 ILE A 21 83.443 -8.509 -2.879 1.00 0.00 H new ATOM 0 HG22 ILE A 21 83.491 -6.968 -1.990 1.00 0.00 H new ATOM 0 HG23 ILE A 21 82.245 -8.179 -1.605 1.00 0.00 H new ATOM 0 HD11 ILE A 21 79.261 -9.336 -3.462 1.00 0.00 H new ATOM 0 HD12 ILE A 21 80.362 -8.945 -2.119 1.00 0.00 H new ATOM 0 HD13 ILE A 21 79.304 -7.685 -2.798 1.00 0.00 H new ATOM 396 N GLU A 22 82.324 -4.210 -3.759 1.00 0.00 N ATOM 397 CA GLU A 22 83.138 -3.015 -3.730 1.00 0.00 C ATOM 398 C GLU A 22 82.507 -1.966 -2.828 1.00 0.00 C ATOM 399 O GLU A 22 83.190 -1.359 -2.008 1.00 0.00 O ATOM 400 CB GLU A 22 83.269 -2.446 -5.141 1.00 0.00 C ATOM 401 CG GLU A 22 84.614 -1.743 -5.311 1.00 0.00 C ATOM 402 CD GLU A 22 85.759 -2.746 -5.148 1.00 0.00 C ATOM 403 OE1 GLU A 22 86.072 -3.406 -6.115 1.00 0.00 O ATOM 404 OE2 GLU A 22 86.274 -2.866 -4.052 1.00 0.00 O ATOM 0 H GLU A 22 82.155 -4.589 -4.691 1.00 0.00 H new ATOM 0 HA GLU A 22 84.123 -3.276 -3.343 1.00 0.00 H new ATOM 0 HB2 GLU A 22 83.176 -3.248 -5.873 1.00 0.00 H new ATOM 0 HB3 GLU A 22 82.458 -1.744 -5.333 1.00 0.00 H new ATOM 0 HG2 GLU A 22 84.667 -1.276 -6.295 1.00 0.00 H new ATOM 0 HG3 GLU A 22 84.712 -0.946 -4.574 1.00 0.00 H new ATOM 411 N ASN A 23 81.207 -1.757 -2.985 1.00 0.00 N ATOM 412 CA ASN A 23 80.512 -0.769 -2.176 1.00 0.00 C ATOM 413 C ASN A 23 80.691 -1.069 -0.694 1.00 0.00 C ATOM 414 O ASN A 23 81.056 -0.185 0.078 1.00 0.00 O ATOM 415 CB ASN A 23 79.019 -0.814 -2.501 1.00 0.00 C ATOM 416 CG ASN A 23 78.263 0.176 -1.638 1.00 0.00 C ATOM 417 OD1 ASN A 23 77.865 1.242 -2.109 1.00 0.00 O ATOM 418 ND2 ASN A 23 78.030 -0.131 -0.396 1.00 0.00 N ATOM 0 H ASN A 23 80.620 -2.252 -3.656 1.00 0.00 H new ATOM 0 HA ASN A 23 80.926 0.215 -2.398 1.00 0.00 H new ATOM 0 HB2 ASN A 23 78.862 -0.583 -3.555 1.00 0.00 H new ATOM 0 HB3 ASN A 23 78.634 -1.820 -2.335 1.00 0.00 H new ATOM 0 HD21 ASN A 23 77.512 0.514 0.200 1.00 0.00 H new ATOM 0 HD22 ASN A 23 78.365 -1.017 -0.018 1.00 0.00 H new ATOM 425 N LEU A 24 80.438 -2.317 -0.293 1.00 0.00 N ATOM 426 CA LEU A 24 80.576 -2.683 1.105 1.00 0.00 C ATOM 427 C LEU A 24 81.967 -2.355 1.594 1.00 0.00 C ATOM 428 O LEU A 24 82.121 -1.849 2.688 1.00 0.00 O ATOM 429 CB LEU A 24 80.306 -4.176 1.272 1.00 0.00 C ATOM 430 CG LEU A 24 78.812 -4.444 1.104 1.00 0.00 C ATOM 431 CD1 LEU A 24 78.577 -5.950 1.003 1.00 0.00 C ATOM 432 CD2 LEU A 24 78.043 -3.896 2.312 1.00 0.00 C ATOM 0 H LEU A 24 80.142 -3.074 -0.909 1.00 0.00 H new ATOM 0 HA LEU A 24 79.854 -2.117 1.694 1.00 0.00 H new ATOM 0 HB2 LEU A 24 80.874 -4.744 0.535 1.00 0.00 H new ATOM 0 HB3 LEU A 24 80.638 -4.509 2.255 1.00 0.00 H new ATOM 0 HG LEU A 24 78.460 -3.951 0.198 1.00 0.00 H new ATOM 0 HD11 LEU A 24 77.511 -6.145 0.883 1.00 0.00 H new ATOM 0 HD12 LEU A 24 79.117 -6.346 0.143 1.00 0.00 H new ATOM 0 HD13 LEU A 24 78.935 -6.436 1.911 1.00 0.00 H new ATOM 0 HD21 LEU A 24 76.978 -4.091 2.184 1.00 0.00 H new ATOM 0 HD22 LEU A 24 78.395 -4.385 3.220 1.00 0.00 H new ATOM 0 HD23 LEU A 24 78.208 -2.821 2.391 1.00 0.00 H new ATOM 444 N TYR A 25 82.968 -2.598 0.770 1.00 0.00 N ATOM 445 CA TYR A 25 84.347 -2.276 1.132 1.00 0.00 C ATOM 446 C TYR A 25 84.506 -0.768 1.320 1.00 0.00 C ATOM 447 O TYR A 25 85.101 -0.313 2.297 1.00 0.00 O ATOM 448 CB TYR A 25 85.298 -2.754 0.042 1.00 0.00 C ATOM 449 CG TYR A 25 86.715 -2.381 0.402 1.00 0.00 C ATOM 450 CD1 TYR A 25 87.414 -3.123 1.364 1.00 0.00 C ATOM 451 CD2 TYR A 25 87.333 -1.296 -0.226 1.00 0.00 C ATOM 452 CE1 TYR A 25 88.727 -2.777 1.697 1.00 0.00 C ATOM 453 CE2 TYR A 25 88.648 -0.948 0.106 1.00 0.00 C ATOM 454 CZ TYR A 25 89.345 -1.689 1.068 1.00 0.00 C ATOM 455 OH TYR A 25 90.641 -1.347 1.397 1.00 0.00 O ATOM 0 H TYR A 25 82.859 -3.016 -0.154 1.00 0.00 H new ATOM 0 HA TYR A 25 84.587 -2.781 2.068 1.00 0.00 H new ATOM 0 HB2 TYR A 25 85.216 -3.834 -0.078 1.00 0.00 H new ATOM 0 HB3 TYR A 25 85.026 -2.306 -0.914 1.00 0.00 H new ATOM 0 HD1 TYR A 25 86.938 -3.963 1.848 1.00 0.00 H new ATOM 0 HD2 TYR A 25 86.795 -0.725 -0.969 1.00 0.00 H new ATOM 0 HE1 TYR A 25 89.265 -3.349 2.439 1.00 0.00 H new ATOM 0 HE2 TYR A 25 89.124 -0.109 -0.379 1.00 0.00 H new ATOM 0 HH TYR A 25 90.919 -0.570 0.868 1.00 0.00 H new ATOM 465 N ARG A 26 83.982 0.001 0.360 1.00 0.00 N ATOM 466 CA ARG A 26 84.086 1.452 0.425 1.00 0.00 C ATOM 467 C ARG A 26 83.399 1.976 1.679 1.00 0.00 C ATOM 468 O ARG A 26 83.953 2.799 2.386 1.00 0.00 O ATOM 469 CB ARG A 26 83.424 2.079 -0.804 1.00 0.00 C ATOM 470 CG ARG A 26 84.262 1.783 -2.046 1.00 0.00 C ATOM 471 CD ARG A 26 83.674 2.525 -3.248 1.00 0.00 C ATOM 472 NE ARG A 26 84.472 2.259 -4.440 1.00 0.00 N ATOM 473 CZ ARG A 26 84.452 3.091 -5.478 1.00 0.00 C ATOM 474 NH1 ARG A 26 83.717 4.166 -5.436 1.00 0.00 N ATOM 475 NH2 ARG A 26 85.171 2.831 -6.536 1.00 0.00 N ATOM 0 H ARG A 26 83.489 -0.356 -0.458 1.00 0.00 H new ATOM 0 HA ARG A 26 85.142 1.720 0.452 1.00 0.00 H new ATOM 0 HB2 ARG A 26 82.417 1.681 -0.929 1.00 0.00 H new ATOM 0 HB3 ARG A 26 83.327 3.156 -0.667 1.00 0.00 H new ATOM 0 HG2 ARG A 26 85.294 2.093 -1.883 1.00 0.00 H new ATOM 0 HG3 ARG A 26 84.278 0.710 -2.240 1.00 0.00 H new ATOM 0 HD2 ARG A 26 82.644 2.209 -3.412 1.00 0.00 H new ATOM 0 HD3 ARG A 26 83.650 3.596 -3.048 1.00 0.00 H new ATOM 0 HE ARG A 26 85.054 1.422 -4.478 1.00 0.00 H new ATOM 0 HH11 ARG A 26 83.157 4.369 -4.608 1.00 0.00 H new ATOM 0 HH12 ARG A 26 83.701 4.804 -6.231 1.00 0.00 H new ATOM 0 HH21 ARG A 26 85.748 1.990 -6.567 1.00 0.00 H new ATOM 0 HH22 ARG A 26 85.156 3.469 -7.332 1.00 0.00 H new ATOM 489 N PHE A 27 82.192 1.501 1.947 1.00 0.00 N ATOM 490 CA PHE A 27 81.464 1.937 3.136 1.00 0.00 C ATOM 491 C PHE A 27 82.119 1.389 4.404 1.00 0.00 C ATOM 492 O PHE A 27 82.327 2.116 5.372 1.00 0.00 O ATOM 493 CB PHE A 27 80.016 1.457 3.058 1.00 0.00 C ATOM 494 CG PHE A 27 79.203 2.447 2.262 1.00 0.00 C ATOM 495 CD1 PHE A 27 78.573 3.508 2.909 1.00 0.00 C ATOM 496 CD2 PHE A 27 79.075 2.306 0.880 1.00 0.00 C ATOM 497 CE1 PHE A 27 77.818 4.423 2.169 1.00 0.00 C ATOM 498 CE2 PHE A 27 78.314 3.226 0.148 1.00 0.00 C ATOM 499 CZ PHE A 27 77.689 4.282 0.793 1.00 0.00 C ATOM 0 H PHE A 27 81.698 0.822 1.368 1.00 0.00 H new ATOM 0 HA PHE A 27 81.488 3.026 3.176 1.00 0.00 H new ATOM 0 HB2 PHE A 27 79.972 0.474 2.590 1.00 0.00 H new ATOM 0 HB3 PHE A 27 79.602 1.352 4.061 1.00 0.00 H new ATOM 0 HD1 PHE A 27 78.668 3.623 3.979 1.00 0.00 H new ATOM 0 HD2 PHE A 27 79.563 1.486 0.374 1.00 0.00 H new ATOM 0 HE1 PHE A 27 77.331 5.246 2.671 1.00 0.00 H new ATOM 0 HE2 PHE A 27 78.214 3.113 -0.921 1.00 0.00 H new ATOM 0 HZ PHE A 27 77.104 4.992 0.228 1.00 0.00 H new ATOM 509 N GLN A 28 82.440 0.101 4.386 1.00 0.00 N ATOM 510 CA GLN A 28 83.070 -0.536 5.536 1.00 0.00 C ATOM 511 C GLN A 28 84.290 0.243 5.982 1.00 0.00 C ATOM 512 O GLN A 28 84.421 0.576 7.157 1.00 0.00 O ATOM 513 CB GLN A 28 83.486 -1.970 5.187 1.00 0.00 C ATOM 514 CG GLN A 28 82.285 -2.911 5.322 1.00 0.00 C ATOM 515 CD GLN A 28 82.600 -4.259 4.687 1.00 0.00 C ATOM 516 OE1 GLN A 28 83.768 -4.627 4.548 1.00 0.00 O ATOM 517 NE2 GLN A 28 81.623 -5.022 4.296 1.00 0.00 N ATOM 0 H GLN A 28 82.276 -0.520 3.593 1.00 0.00 H new ATOM 0 HA GLN A 28 82.344 -0.554 6.349 1.00 0.00 H new ATOM 0 HB2 GLN A 28 83.875 -2.007 4.169 1.00 0.00 H new ATOM 0 HB3 GLN A 28 84.290 -2.295 5.848 1.00 0.00 H new ATOM 0 HG2 GLN A 28 82.036 -3.046 6.375 1.00 0.00 H new ATOM 0 HG3 GLN A 28 81.412 -2.470 4.842 1.00 0.00 H new ATOM 0 HE21 GLN A 28 80.658 -4.714 4.413 1.00 0.00 H new ATOM 0 HE22 GLN A 28 81.822 -5.928 3.873 1.00 0.00 H new ATOM 526 N GLN A 29 85.172 0.547 5.042 1.00 0.00 N ATOM 527 CA GLN A 29 86.379 1.299 5.361 1.00 0.00 C ATOM 528 C GLN A 29 86.016 2.617 6.046 1.00 0.00 C ATOM 529 O GLN A 29 86.854 3.253 6.688 1.00 0.00 O ATOM 530 CB GLN A 29 87.180 1.566 4.081 1.00 0.00 C ATOM 531 CG GLN A 29 86.637 2.802 3.361 1.00 0.00 C ATOM 532 CD GLN A 29 87.511 4.008 3.674 1.00 0.00 C ATOM 533 OE1 GLN A 29 87.312 4.669 4.695 1.00 0.00 O ATOM 534 NE2 GLN A 29 88.467 4.332 2.857 1.00 0.00 N ATOM 0 H GLN A 29 85.078 0.288 4.060 1.00 0.00 H new ATOM 0 HA GLN A 29 86.992 0.712 6.045 1.00 0.00 H new ATOM 0 HB2 GLN A 29 88.232 1.713 4.326 1.00 0.00 H new ATOM 0 HB3 GLN A 29 87.124 0.700 3.422 1.00 0.00 H new ATOM 0 HG2 GLN A 29 86.615 2.627 2.285 1.00 0.00 H new ATOM 0 HG3 GLN A 29 85.611 2.994 3.674 1.00 0.00 H new ATOM 0 HE21 GLN A 29 88.626 3.780 2.014 1.00 0.00 H new ATOM 0 HE22 GLN A 29 89.059 5.138 3.058 1.00 0.00 H new ATOM 543 N ALA A 30 84.756 3.027 5.888 1.00 0.00 N ATOM 544 CA ALA A 30 84.287 4.265 6.491 1.00 0.00 C ATOM 545 C ALA A 30 83.742 3.988 7.888 1.00 0.00 C ATOM 546 O ALA A 30 83.595 4.901 8.698 1.00 0.00 O ATOM 547 CB ALA A 30 83.195 4.898 5.626 1.00 0.00 C ATOM 0 H ALA A 30 84.051 2.521 5.351 1.00 0.00 H new ATOM 0 HA ALA A 30 85.125 4.958 6.562 1.00 0.00 H new ATOM 0 HB1 ALA A 30 82.854 5.823 6.090 1.00 0.00 H new ATOM 0 HB2 ALA A 30 83.595 5.115 4.636 1.00 0.00 H new ATOM 0 HB3 ALA A 30 82.357 4.207 5.535 1.00 0.00 H new ATOM 553 N GLY A 31 83.440 2.718 8.156 1.00 0.00 N ATOM 554 CA GLY A 31 82.906 2.323 9.453 1.00 0.00 C ATOM 555 C GLY A 31 81.419 1.995 9.373 1.00 0.00 C ATOM 556 O GLY A 31 80.791 1.690 10.388 1.00 0.00 O ATOM 0 H GLY A 31 83.556 1.951 7.494 1.00 0.00 H new ATOM 0 HA2 GLY A 31 83.451 1.454 9.822 1.00 0.00 H new ATOM 0 HA3 GLY A 31 83.063 3.127 10.172 1.00 0.00 H new ATOM 560 N TYR A 32 80.867 2.052 8.165 1.00 0.00 N ATOM 561 CA TYR A 32 79.463 1.753 7.962 1.00 0.00 C ATOM 562 C TYR A 32 79.286 0.395 7.306 1.00 0.00 C ATOM 563 O TYR A 32 80.103 -0.024 6.492 1.00 0.00 O ATOM 564 CB TYR A 32 78.825 2.827 7.081 1.00 0.00 C ATOM 565 CG TYR A 32 78.935 4.181 7.750 1.00 0.00 C ATOM 566 CD1 TYR A 32 78.492 4.362 9.070 1.00 0.00 C ATOM 567 CD2 TYR A 32 79.489 5.259 7.053 1.00 0.00 C ATOM 568 CE1 TYR A 32 78.608 5.602 9.684 1.00 0.00 C ATOM 569 CE2 TYR A 32 79.599 6.506 7.676 1.00 0.00 C ATOM 570 CZ TYR A 32 79.163 6.678 8.991 1.00 0.00 C ATOM 571 OH TYR A 32 79.273 7.910 9.602 1.00 0.00 O ATOM 0 H TYR A 32 81.374 2.303 7.316 1.00 0.00 H new ATOM 0 HA TYR A 32 78.975 1.737 8.937 1.00 0.00 H new ATOM 0 HB2 TYR A 32 79.318 2.852 6.109 1.00 0.00 H new ATOM 0 HB3 TYR A 32 77.777 2.586 6.901 1.00 0.00 H new ATOM 0 HD1 TYR A 32 78.059 3.533 9.610 1.00 0.00 H new ATOM 0 HD2 TYR A 32 79.831 5.129 6.037 1.00 0.00 H new ATOM 0 HE1 TYR A 32 78.268 5.734 10.700 1.00 0.00 H new ATOM 0 HE2 TYR A 32 80.023 7.340 7.137 1.00 0.00 H new ATOM 0 HH TYR A 32 79.682 8.548 8.981 1.00 0.00 H new ATOM 581 N ARG A 33 78.208 -0.287 7.669 1.00 0.00 N ATOM 582 CA ARG A 33 77.924 -1.603 7.106 1.00 0.00 C ATOM 583 C ARG A 33 77.268 -1.462 5.735 1.00 0.00 C ATOM 584 O ARG A 33 77.503 -2.273 4.839 1.00 0.00 O ATOM 585 CB ARG A 33 77.005 -2.392 8.037 1.00 0.00 C ATOM 586 CG ARG A 33 76.032 -1.434 8.730 1.00 0.00 C ATOM 587 CD ARG A 33 76.610 -1.015 10.084 1.00 0.00 C ATOM 588 NE ARG A 33 76.520 -2.119 11.033 1.00 0.00 N ATOM 589 CZ ARG A 33 75.422 -2.315 11.757 1.00 0.00 C ATOM 590 NH1 ARG A 33 74.401 -1.512 11.623 1.00 0.00 N ATOM 591 NH2 ARG A 33 75.363 -3.309 12.599 1.00 0.00 N ATOM 0 H ARG A 33 77.520 0.044 8.345 1.00 0.00 H new ATOM 0 HA ARG A 33 78.866 -2.141 6.997 1.00 0.00 H new ATOM 0 HB2 ARG A 33 76.452 -3.141 7.470 1.00 0.00 H new ATOM 0 HB3 ARG A 33 77.596 -2.927 8.780 1.00 0.00 H new ATOM 0 HG2 ARG A 33 75.863 -0.556 8.107 1.00 0.00 H new ATOM 0 HG3 ARG A 33 75.065 -1.917 8.869 1.00 0.00 H new ATOM 0 HD2 ARG A 33 77.650 -0.712 9.965 1.00 0.00 H new ATOM 0 HD3 ARG A 33 76.068 -0.151 10.468 1.00 0.00 H new ATOM 0 HE ARG A 33 77.313 -2.751 11.143 1.00 0.00 H new ATOM 0 HH11 ARG A 33 74.446 -0.735 10.963 1.00 0.00 H new ATOM 0 HH12 ARG A 33 73.558 -1.662 12.178 1.00 0.00 H new ATOM 0 HH21 ARG A 33 76.160 -3.937 12.703 1.00 0.00 H new ATOM 0 HH22 ARG A 33 74.520 -3.458 13.154 1.00 0.00 H new ATOM 605 N ASP A 34 76.446 -0.430 5.578 1.00 0.00 N ATOM 606 CA ASP A 34 75.766 -0.183 4.316 1.00 0.00 C ATOM 607 C ASP A 34 75.367 1.286 4.202 1.00 0.00 C ATOM 608 O ASP A 34 75.405 2.036 5.186 1.00 0.00 O ATOM 609 CB ASP A 34 74.528 -1.075 4.206 1.00 0.00 C ATOM 610 CG ASP A 34 73.614 -0.846 5.405 1.00 0.00 C ATOM 611 OD1 ASP A 34 73.960 -0.023 6.237 1.00 0.00 O ATOM 612 OD2 ASP A 34 72.583 -1.494 5.473 1.00 0.00 O ATOM 0 H ASP A 34 76.236 0.248 6.310 1.00 0.00 H new ATOM 0 HA ASP A 34 76.449 -0.420 3.500 1.00 0.00 H new ATOM 0 HB2 ASP A 34 73.992 -0.856 3.282 1.00 0.00 H new ATOM 0 HB3 ASP A 34 74.827 -2.122 4.160 1.00 0.00 H new ATOM 617 N GLU A 35 74.992 1.697 2.992 1.00 0.00 N ATOM 618 CA GLU A 35 74.597 3.078 2.760 1.00 0.00 C ATOM 619 C GLU A 35 73.546 3.516 3.766 1.00 0.00 C ATOM 620 O GLU A 35 73.438 4.702 4.077 1.00 0.00 O ATOM 621 CB GLU A 35 74.046 3.228 1.338 1.00 0.00 C ATOM 622 CG GLU A 35 72.764 2.400 1.201 1.00 0.00 C ATOM 623 CD GLU A 35 72.297 2.399 -0.250 1.00 0.00 C ATOM 624 OE1 GLU A 35 72.945 3.038 -1.062 1.00 0.00 O ATOM 625 OE2 GLU A 35 71.297 1.759 -0.528 1.00 0.00 O ATOM 0 H GLU A 35 74.955 1.098 2.167 1.00 0.00 H new ATOM 0 HA GLU A 35 75.475 3.712 2.880 1.00 0.00 H new ATOM 0 HB2 GLU A 35 73.840 4.277 1.125 1.00 0.00 H new ATOM 0 HB3 GLU A 35 74.787 2.895 0.612 1.00 0.00 H new ATOM 0 HG2 GLU A 35 72.944 1.378 1.534 1.00 0.00 H new ATOM 0 HG3 GLU A 35 71.985 2.812 1.842 1.00 0.00 H new ATOM 632 N ILE A 36 72.766 2.562 4.256 1.00 0.00 N ATOM 633 CA ILE A 36 71.713 2.878 5.209 1.00 0.00 C ATOM 634 C ILE A 36 72.292 3.554 6.447 1.00 0.00 C ATOM 635 O ILE A 36 71.788 4.584 6.894 1.00 0.00 O ATOM 636 CB ILE A 36 71.000 1.588 5.632 1.00 0.00 C ATOM 637 CG1 ILE A 36 70.217 1.025 4.445 1.00 0.00 C ATOM 638 CG2 ILE A 36 70.040 1.884 6.783 1.00 0.00 C ATOM 639 CD1 ILE A 36 69.749 -0.398 4.765 1.00 0.00 C ATOM 0 H ILE A 36 72.841 1.574 4.013 1.00 0.00 H new ATOM 0 HA ILE A 36 71.008 3.558 4.731 1.00 0.00 H new ATOM 0 HB ILE A 36 71.740 0.857 5.959 1.00 0.00 H new ATOM 0 HG12 ILE A 36 69.358 1.661 4.229 1.00 0.00 H new ATOM 0 HG13 ILE A 36 70.843 1.020 3.553 1.00 0.00 H new ATOM 0 HG21 ILE A 36 69.535 0.965 7.081 1.00 0.00 H new ATOM 0 HG22 ILE A 36 70.599 2.282 7.630 1.00 0.00 H new ATOM 0 HG23 ILE A 36 69.300 2.616 6.460 1.00 0.00 H new ATOM 0 HD11 ILE A 36 69.191 -0.797 3.918 1.00 0.00 H new ATOM 0 HD12 ILE A 36 70.615 -1.031 4.960 1.00 0.00 H new ATOM 0 HD13 ILE A 36 69.107 -0.380 5.646 1.00 0.00 H new ATOM 651 N GLU A 37 73.354 2.976 6.996 1.00 0.00 N ATOM 652 CA GLU A 37 73.984 3.535 8.186 1.00 0.00 C ATOM 653 C GLU A 37 74.595 4.896 7.874 1.00 0.00 C ATOM 654 O GLU A 37 74.532 5.820 8.687 1.00 0.00 O ATOM 655 CB GLU A 37 75.067 2.585 8.702 1.00 0.00 C ATOM 656 CG GLU A 37 75.402 2.924 10.153 1.00 0.00 C ATOM 657 CD GLU A 37 74.217 2.582 11.050 1.00 0.00 C ATOM 658 OE1 GLU A 37 73.314 1.915 10.571 1.00 0.00 O ATOM 659 OE2 GLU A 37 74.231 2.988 12.199 1.00 0.00 O ATOM 0 H GLU A 37 73.794 2.128 6.640 1.00 0.00 H new ATOM 0 HA GLU A 37 73.222 3.660 8.956 1.00 0.00 H new ATOM 0 HB2 GLU A 37 74.723 1.553 8.630 1.00 0.00 H new ATOM 0 HB3 GLU A 37 75.961 2.667 8.084 1.00 0.00 H new ATOM 0 HG2 GLU A 37 76.284 2.368 10.472 1.00 0.00 H new ATOM 0 HG3 GLU A 37 75.644 3.983 10.242 1.00 0.00 H new ATOM 666 N TYR A 38 75.184 5.012 6.689 1.00 0.00 N ATOM 667 CA TYR A 38 75.792 6.272 6.275 1.00 0.00 C ATOM 668 C TYR A 38 74.769 7.397 6.224 1.00 0.00 C ATOM 669 O TYR A 38 75.018 8.493 6.728 1.00 0.00 O ATOM 670 CB TYR A 38 76.421 6.117 4.900 1.00 0.00 C ATOM 671 CG TYR A 38 76.711 7.482 4.314 1.00 0.00 C ATOM 672 CD1 TYR A 38 77.611 8.343 4.949 1.00 0.00 C ATOM 673 CD2 TYR A 38 76.074 7.886 3.131 1.00 0.00 C ATOM 674 CE1 TYR A 38 77.874 9.607 4.406 1.00 0.00 C ATOM 675 CE2 TYR A 38 76.340 9.149 2.587 1.00 0.00 C ATOM 676 CZ TYR A 38 77.239 10.010 3.226 1.00 0.00 C ATOM 677 OH TYR A 38 77.498 11.256 2.691 1.00 0.00 O ATOM 0 H TYR A 38 75.254 4.259 6.005 1.00 0.00 H new ATOM 0 HA TYR A 38 76.553 6.527 7.013 1.00 0.00 H new ATOM 0 HB2 TYR A 38 77.342 5.539 4.974 1.00 0.00 H new ATOM 0 HB3 TYR A 38 75.750 5.564 4.243 1.00 0.00 H new ATOM 0 HD1 TYR A 38 78.104 8.033 5.859 1.00 0.00 H new ATOM 0 HD2 TYR A 38 75.378 7.223 2.639 1.00 0.00 H new ATOM 0 HE1 TYR A 38 78.568 10.272 4.899 1.00 0.00 H new ATOM 0 HE2 TYR A 38 75.851 9.458 1.675 1.00 0.00 H new ATOM 0 HH TYR A 38 76.975 11.375 1.871 1.00 0.00 H new ATOM 687 N LYS A 39 73.627 7.128 5.600 1.00 0.00 N ATOM 688 CA LYS A 39 72.587 8.136 5.472 1.00 0.00 C ATOM 689 C LYS A 39 72.108 8.599 6.837 1.00 0.00 C ATOM 690 O LYS A 39 71.850 9.781 7.036 1.00 0.00 O ATOM 691 CB LYS A 39 71.404 7.559 4.685 1.00 0.00 C ATOM 692 CG LYS A 39 71.801 7.372 3.221 1.00 0.00 C ATOM 693 CD LYS A 39 70.638 6.737 2.453 1.00 0.00 C ATOM 694 CE LYS A 39 71.034 6.557 0.985 1.00 0.00 C ATOM 695 NZ LYS A 39 69.922 5.889 0.249 1.00 0.00 N ATOM 0 H LYS A 39 73.401 6.227 5.179 1.00 0.00 H new ATOM 0 HA LYS A 39 73.003 8.993 4.942 1.00 0.00 H new ATOM 0 HB2 LYS A 39 71.100 6.604 5.114 1.00 0.00 H new ATOM 0 HB3 LYS A 39 70.546 8.228 4.757 1.00 0.00 H new ATOM 0 HG2 LYS A 39 72.061 8.333 2.778 1.00 0.00 H new ATOM 0 HG3 LYS A 39 72.686 6.739 3.151 1.00 0.00 H new ATOM 0 HD2 LYS A 39 70.381 5.773 2.892 1.00 0.00 H new ATOM 0 HD3 LYS A 39 69.752 7.367 2.527 1.00 0.00 H new ATOM 0 HE2 LYS A 39 71.253 7.525 0.535 1.00 0.00 H new ATOM 0 HE3 LYS A 39 71.943 5.960 0.913 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 70.311 5.337 -0.542 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 69.410 5.254 0.895 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 69.268 6.609 -0.120 1.00 0.00 H new ATOM 709 N GLN A 40 71.987 7.667 7.772 1.00 0.00 N ATOM 710 CA GLN A 40 71.529 8.008 9.115 1.00 0.00 C ATOM 711 C GLN A 40 72.495 8.990 9.775 1.00 0.00 C ATOM 712 O GLN A 40 72.083 9.948 10.423 1.00 0.00 O ATOM 713 CB GLN A 40 71.435 6.737 9.963 1.00 0.00 C ATOM 714 CG GLN A 40 70.801 7.067 11.316 1.00 0.00 C ATOM 715 CD GLN A 40 71.678 6.544 12.447 1.00 0.00 C ATOM 716 OE1 GLN A 40 72.610 7.225 12.876 1.00 0.00 O ATOM 717 NE2 GLN A 40 71.439 5.366 12.955 1.00 0.00 N ATOM 0 H GLN A 40 72.197 6.679 7.630 1.00 0.00 H new ATOM 0 HA GLN A 40 70.547 8.475 9.042 1.00 0.00 H new ATOM 0 HB2 GLN A 40 70.839 5.985 9.445 1.00 0.00 H new ATOM 0 HB3 GLN A 40 72.428 6.311 10.110 1.00 0.00 H new ATOM 0 HG2 GLN A 40 70.673 8.145 11.413 1.00 0.00 H new ATOM 0 HG3 GLN A 40 69.808 6.621 11.379 1.00 0.00 H new ATOM 0 HE21 GLN A 40 70.666 4.804 12.598 1.00 0.00 H new ATOM 0 HE22 GLN A 40 72.025 5.007 13.709 1.00 0.00 H new ATOM 726 N VAL A 41 73.784 8.738 9.606 1.00 0.00 N ATOM 727 CA VAL A 41 74.801 9.604 10.202 1.00 0.00 C ATOM 728 C VAL A 41 74.718 11.016 9.640 1.00 0.00 C ATOM 729 O VAL A 41 74.816 11.996 10.381 1.00 0.00 O ATOM 730 CB VAL A 41 76.195 9.038 9.937 1.00 0.00 C ATOM 731 CG1 VAL A 41 77.256 10.039 10.399 1.00 0.00 C ATOM 732 CG2 VAL A 41 76.370 7.718 10.692 1.00 0.00 C ATOM 0 H VAL A 41 74.152 7.953 9.069 1.00 0.00 H new ATOM 0 HA VAL A 41 74.617 9.643 11.276 1.00 0.00 H new ATOM 0 HB VAL A 41 76.311 8.859 8.868 1.00 0.00 H new ATOM 0 HG11 VAL A 41 78.249 9.631 10.208 1.00 0.00 H new ATOM 0 HG12 VAL A 41 77.137 10.974 9.852 1.00 0.00 H new ATOM 0 HG13 VAL A 41 77.140 10.226 11.467 1.00 0.00 H new ATOM 0 HG21 VAL A 41 77.366 7.318 10.500 1.00 0.00 H new ATOM 0 HG22 VAL A 41 76.249 7.892 11.761 1.00 0.00 H new ATOM 0 HG23 VAL A 41 75.620 7.003 10.353 1.00 0.00 H new ATOM 742 N LYS A 42 74.529 11.112 8.334 1.00 0.00 N ATOM 743 CA LYS A 42 74.425 12.410 7.682 1.00 0.00 C ATOM 744 C LYS A 42 72.973 12.820 7.497 1.00 0.00 C ATOM 745 O LYS A 42 72.684 13.895 6.972 1.00 0.00 O ATOM 746 CB LYS A 42 75.121 12.356 6.321 1.00 0.00 C ATOM 747 CG LYS A 42 76.641 12.382 6.505 1.00 0.00 C ATOM 748 CD LYS A 42 77.123 13.831 6.644 1.00 0.00 C ATOM 749 CE LYS A 42 78.646 13.870 6.601 1.00 0.00 C ATOM 750 NZ LYS A 42 79.102 15.288 6.664 1.00 0.00 N ATOM 0 H LYS A 42 74.445 10.312 7.706 1.00 0.00 H new ATOM 0 HA LYS A 42 74.909 13.151 8.318 1.00 0.00 H new ATOM 0 HB2 LYS A 42 74.827 11.451 5.789 1.00 0.00 H new ATOM 0 HB3 LYS A 42 74.807 13.202 5.709 1.00 0.00 H new ATOM 0 HG2 LYS A 42 76.919 11.810 7.390 1.00 0.00 H new ATOM 0 HG3 LYS A 42 77.128 11.907 5.653 1.00 0.00 H new ATOM 0 HD2 LYS A 42 76.711 14.441 5.840 1.00 0.00 H new ATOM 0 HD3 LYS A 42 76.765 14.256 7.582 1.00 0.00 H new ATOM 0 HE2 LYS A 42 79.060 13.305 7.436 1.00 0.00 H new ATOM 0 HE3 LYS A 42 79.008 13.399 5.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 79.975 15.397 6.109 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 78.364 15.908 6.274 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 79.286 15.550 7.654 1.00 0.00 H new ATOM 764 N GLN A 43 72.059 11.966 7.940 1.00 0.00 N ATOM 765 CA GLN A 43 70.637 12.262 7.810 1.00 0.00 C ATOM 766 C GLN A 43 70.337 12.866 6.442 1.00 0.00 C ATOM 767 O GLN A 43 69.700 13.916 6.346 1.00 0.00 O ATOM 768 CB GLN A 43 70.192 13.223 8.911 1.00 0.00 C ATOM 769 CG GLN A 43 70.311 12.538 10.274 1.00 0.00 C ATOM 770 CD GLN A 43 69.323 11.378 10.367 1.00 0.00 C ATOM 771 OE1 GLN A 43 69.723 10.231 10.568 1.00 0.00 O ATOM 772 NE2 GLN A 43 68.047 11.612 10.218 1.00 0.00 N ATOM 0 H GLN A 43 72.272 11.074 8.387 1.00 0.00 H new ATOM 0 HA GLN A 43 70.084 11.328 7.909 1.00 0.00 H new ATOM 0 HB2 GLN A 43 70.806 14.123 8.891 1.00 0.00 H new ATOM 0 HB3 GLN A 43 69.162 13.536 8.739 1.00 0.00 H new ATOM 0 HG2 GLN A 43 71.328 12.172 10.418 1.00 0.00 H new ATOM 0 HG3 GLN A 43 70.115 13.257 11.069 1.00 0.00 H new ATOM 0 HE21 GLN A 43 67.719 12.563 10.052 1.00 0.00 H new ATOM 0 HE22 GLN A 43 67.378 10.843 10.268 1.00 0.00 H new ATOM 781 N VAL A 44 70.802 12.204 5.390 1.00 0.00 N ATOM 782 CA VAL A 44 70.578 12.691 4.034 1.00 0.00 C ATOM 783 C VAL A 44 69.462 11.906 3.356 1.00 0.00 C ATOM 784 O VAL A 44 68.298 11.996 3.747 1.00 0.00 O ATOM 785 CB VAL A 44 71.865 12.567 3.210 1.00 0.00 C ATOM 786 CG1 VAL A 44 72.865 13.633 3.658 1.00 0.00 C ATOM 787 CG2 VAL A 44 72.468 11.179 3.425 1.00 0.00 C ATOM 0 H VAL A 44 71.333 11.335 5.448 1.00 0.00 H new ATOM 0 HA VAL A 44 70.284 13.739 4.093 1.00 0.00 H new ATOM 0 HB VAL A 44 71.637 12.708 2.153 1.00 0.00 H new ATOM 0 HG11 VAL A 44 73.779 13.544 3.071 1.00 0.00 H new ATOM 0 HG12 VAL A 44 72.433 14.623 3.508 1.00 0.00 H new ATOM 0 HG13 VAL A 44 73.096 13.494 4.714 1.00 0.00 H new ATOM 0 HG21 VAL A 44 73.384 11.086 2.841 1.00 0.00 H new ATOM 0 HG22 VAL A 44 72.696 11.041 4.482 1.00 0.00 H new ATOM 0 HG23 VAL A 44 71.755 10.419 3.106 1.00 0.00 H new ATOM 797 N ALA A 45 69.824 11.141 2.333 1.00 0.00 N ATOM 798 CA ALA A 45 68.845 10.347 1.600 1.00 0.00 C ATOM 799 C ALA A 45 69.471 9.746 0.342 1.00 0.00 C ATOM 800 O ALA A 45 69.009 8.720 -0.160 1.00 0.00 O ATOM 801 CB ALA A 45 67.652 11.221 1.210 1.00 0.00 C ATOM 0 H ALA A 45 70.782 11.054 1.994 1.00 0.00 H new ATOM 0 HA ALA A 45 68.507 9.536 2.246 1.00 0.00 H new ATOM 0 HB1 ALA A 45 66.925 10.621 0.663 1.00 0.00 H new ATOM 0 HB2 ALA A 45 67.187 11.624 2.110 1.00 0.00 H new ATOM 0 HB3 ALA A 45 67.993 12.042 0.579 1.00 0.00 H new ATOM 807 N MET A 46 70.521 10.389 -0.160 1.00 0.00 N ATOM 808 CA MET A 46 71.198 9.907 -1.358 1.00 0.00 C ATOM 809 C MET A 46 72.705 10.099 -1.228 1.00 0.00 C ATOM 810 O MET A 46 73.165 11.001 -0.528 1.00 0.00 O ATOM 811 CB MET A 46 70.690 10.669 -2.583 1.00 0.00 C ATOM 812 CG MET A 46 70.977 12.164 -2.410 1.00 0.00 C ATOM 813 SD MET A 46 72.675 12.520 -2.927 1.00 0.00 S ATOM 814 CE MET A 46 72.325 12.801 -4.680 1.00 0.00 C ATOM 0 H MET A 46 70.919 11.238 0.241 1.00 0.00 H new ATOM 0 HA MET A 46 70.984 8.845 -1.476 1.00 0.00 H new ATOM 0 HB2 MET A 46 71.177 10.296 -3.484 1.00 0.00 H new ATOM 0 HB3 MET A 46 69.620 10.505 -2.708 1.00 0.00 H new ATOM 0 HG2 MET A 46 70.275 12.750 -3.003 1.00 0.00 H new ATOM 0 HG3 MET A 46 70.835 12.454 -1.369 1.00 0.00 H new ATOM 0 HE1 MET A 46 73.251 13.041 -5.202 1.00 0.00 H new ATOM 0 HE2 MET A 46 71.887 11.901 -5.112 1.00 0.00 H new ATOM 0 HE3 MET A 46 71.625 13.630 -4.783 1.00 0.00 H new ATOM 824 N VAL A 47 73.467 9.242 -1.906 1.00 0.00 N ATOM 825 CA VAL A 47 74.921 9.321 -1.858 1.00 0.00 C ATOM 826 C VAL A 47 75.469 9.807 -3.196 1.00 0.00 C ATOM 827 O VAL A 47 75.019 9.369 -4.256 1.00 0.00 O ATOM 828 CB VAL A 47 75.510 7.951 -1.535 1.00 0.00 C ATOM 829 CG1 VAL A 47 77.008 8.091 -1.267 1.00 0.00 C ATOM 830 CG2 VAL A 47 74.815 7.379 -0.302 1.00 0.00 C ATOM 0 H VAL A 47 73.102 8.490 -2.491 1.00 0.00 H new ATOM 0 HA VAL A 47 75.203 10.028 -1.078 1.00 0.00 H new ATOM 0 HB VAL A 47 75.358 7.278 -2.379 1.00 0.00 H new ATOM 0 HG11 VAL A 47 77.429 7.113 -1.036 1.00 0.00 H new ATOM 0 HG12 VAL A 47 77.499 8.498 -2.151 1.00 0.00 H new ATOM 0 HG13 VAL A 47 77.165 8.762 -0.423 1.00 0.00 H new ATOM 0 HG21 VAL A 47 75.234 6.400 -0.069 1.00 0.00 H new ATOM 0 HG22 VAL A 47 74.966 8.049 0.544 1.00 0.00 H new ATOM 0 HG23 VAL A 47 73.748 7.279 -0.500 1.00 0.00 H new ATOM 840 N ASP A 48 76.438 10.719 -3.143 1.00 0.00 N ATOM 841 CA ASP A 48 77.034 11.261 -4.360 1.00 0.00 C ATOM 842 C ASP A 48 77.708 10.156 -5.163 1.00 0.00 C ATOM 843 O ASP A 48 78.493 9.377 -4.626 1.00 0.00 O ATOM 844 CB ASP A 48 78.064 12.329 -4.001 1.00 0.00 C ATOM 845 CG ASP A 48 77.377 13.513 -3.331 1.00 0.00 C ATOM 846 OD1 ASP A 48 76.948 14.403 -4.046 1.00 0.00 O ATOM 847 OD2 ASP A 48 77.291 13.511 -2.115 1.00 0.00 O ATOM 0 H ASP A 48 76.824 11.095 -2.277 1.00 0.00 H new ATOM 0 HA ASP A 48 76.243 11.704 -4.965 1.00 0.00 H new ATOM 0 HB2 ASP A 48 78.817 11.910 -3.334 1.00 0.00 H new ATOM 0 HB3 ASP A 48 78.584 12.661 -4.900 1.00 0.00 H new ATOM 852 N ARG A 49 77.384 10.086 -6.453 1.00 0.00 N ATOM 853 CA ARG A 49 77.952 9.062 -7.318 1.00 0.00 C ATOM 854 C ARG A 49 78.270 9.626 -8.693 1.00 0.00 C ATOM 855 O ARG A 49 77.716 10.655 -9.097 1.00 0.00 O ATOM 856 CB ARG A 49 76.963 7.901 -7.471 1.00 0.00 C ATOM 857 CG ARG A 49 76.805 7.171 -6.138 1.00 0.00 C ATOM 858 CD ARG A 49 75.648 6.180 -6.223 1.00 0.00 C ATOM 859 NE ARG A 49 75.500 5.476 -4.955 1.00 0.00 N ATOM 860 CZ ARG A 49 76.238 4.407 -4.674 1.00 0.00 C ATOM 861 NH1 ARG A 49 77.118 3.978 -5.536 1.00 0.00 N ATOM 862 NH2 ARG A 49 76.086 3.788 -3.535 1.00 0.00 N ATOM 0 H ARG A 49 76.736 10.723 -6.917 1.00 0.00 H new ATOM 0 HA ARG A 49 78.875 8.708 -6.859 1.00 0.00 H new ATOM 0 HB2 ARG A 49 75.996 8.277 -7.806 1.00 0.00 H new ATOM 0 HB3 ARG A 49 77.317 7.209 -8.235 1.00 0.00 H new ATOM 0 HG2 ARG A 49 77.727 6.646 -5.889 1.00 0.00 H new ATOM 0 HG3 ARG A 49 76.622 7.890 -5.339 1.00 0.00 H new ATOM 0 HD2 ARG A 49 74.725 6.706 -6.466 1.00 0.00 H new ATOM 0 HD3 ARG A 49 75.829 5.466 -7.026 1.00 0.00 H new ATOM 0 HE ARG A 49 74.819 5.809 -4.273 1.00 0.00 H new ATOM 0 HH11 ARG A 49 77.239 4.463 -6.425 1.00 0.00 H new ATOM 0 HH12 ARG A 49 77.685 3.158 -5.321 1.00 0.00 H new ATOM 0 HH21 ARG A 49 75.400 4.125 -2.859 1.00 0.00 H new ATOM 0 HH22 ARG A 49 76.653 2.968 -3.321 1.00 0.00 H new ATOM 876 N TRP A 50 79.161 8.946 -9.414 1.00 0.00 N ATOM 877 CA TRP A 50 79.533 9.407 -10.742 1.00 0.00 C ATOM 878 C TRP A 50 78.654 8.746 -11.809 1.00 0.00 C ATOM 879 O TRP A 50 78.388 7.562 -11.736 1.00 0.00 O ATOM 880 CB TRP A 50 80.992 9.086 -11.040 1.00 0.00 C ATOM 881 CG TRP A 50 81.851 9.802 -10.057 1.00 0.00 C ATOM 882 CD1 TRP A 50 82.053 9.415 -8.778 1.00 0.00 C ATOM 883 CD2 TRP A 50 82.638 11.015 -10.247 1.00 0.00 C ATOM 884 NE1 TRP A 50 82.905 10.316 -8.168 1.00 0.00 N ATOM 885 CE2 TRP A 50 83.295 11.318 -9.034 1.00 0.00 C ATOM 886 CE3 TRP A 50 82.839 11.872 -11.343 1.00 0.00 C ATOM 887 CZ2 TRP A 50 84.124 12.431 -8.911 1.00 0.00 C ATOM 888 CZ3 TRP A 50 83.674 12.995 -11.224 1.00 0.00 C ATOM 889 CH2 TRP A 50 84.316 13.272 -10.009 1.00 0.00 C ATOM 0 H TRP A 50 79.627 8.093 -9.106 1.00 0.00 H new ATOM 0 HA TRP A 50 79.388 10.487 -10.766 1.00 0.00 H new ATOM 0 HB2 TRP A 50 81.162 8.011 -10.978 1.00 0.00 H new ATOM 0 HB3 TRP A 50 81.246 9.391 -12.055 1.00 0.00 H new ATOM 0 HD1 TRP A 50 81.619 8.544 -8.309 1.00 0.00 H new ATOM 0 HE1 TRP A 50 83.209 10.249 -7.197 1.00 0.00 H new ATOM 0 HE3 TRP A 50 82.348 11.666 -12.283 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 84.615 12.642 -7.972 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 83.822 13.648 -12.072 1.00 0.00 H new ATOM 0 HH2 TRP A 50 84.959 14.136 -9.922 1.00 0.00 H new ATOM 900 N PRO A 51 78.211 9.472 -12.792 1.00 0.00 N ATOM 901 CA PRO A 51 77.335 8.912 -13.872 1.00 0.00 C ATOM 902 C PRO A 51 78.043 7.846 -14.704 1.00 0.00 C ATOM 903 O PRO A 51 77.420 6.906 -15.197 1.00 0.00 O ATOM 904 CB PRO A 51 77.009 10.139 -14.728 1.00 0.00 C ATOM 905 CG PRO A 51 78.093 11.121 -14.434 1.00 0.00 C ATOM 906 CD PRO A 51 78.500 10.889 -13.003 1.00 0.00 C ATOM 0 HA PRO A 51 76.456 8.410 -13.468 1.00 0.00 H new ATOM 0 HB2 PRO A 51 76.985 9.885 -15.788 1.00 0.00 H new ATOM 0 HB3 PRO A 51 76.030 10.546 -14.476 1.00 0.00 H new ATOM 0 HG2 PRO A 51 78.939 10.978 -15.106 1.00 0.00 H new ATOM 0 HG3 PRO A 51 77.741 12.143 -14.577 1.00 0.00 H new ATOM 0 HD2 PRO A 51 79.555 11.111 -12.845 1.00 0.00 H new ATOM 0 HD3 PRO A 51 77.935 11.520 -12.317 1.00 0.00 H new ATOM 914 N GLU A 52 79.348 8.015 -14.880 1.00 0.00 N ATOM 915 CA GLU A 52 80.118 7.079 -15.690 1.00 0.00 C ATOM 916 C GLU A 52 79.881 5.642 -15.247 1.00 0.00 C ATOM 917 O GLU A 52 79.564 4.779 -16.067 1.00 0.00 O ATOM 918 CB GLU A 52 81.616 7.385 -15.546 1.00 0.00 C ATOM 919 CG GLU A 52 81.911 8.783 -16.083 1.00 0.00 C ATOM 920 CD GLU A 52 81.684 8.821 -17.588 1.00 0.00 C ATOM 921 OE1 GLU A 52 81.661 7.760 -18.191 1.00 0.00 O ATOM 922 OE2 GLU A 52 81.538 9.910 -18.119 1.00 0.00 O ATOM 0 H GLU A 52 79.889 8.781 -14.479 1.00 0.00 H new ATOM 0 HA GLU A 52 79.797 7.192 -16.726 1.00 0.00 H new ATOM 0 HB2 GLU A 52 81.911 7.318 -14.499 1.00 0.00 H new ATOM 0 HB3 GLU A 52 82.202 6.645 -16.091 1.00 0.00 H new ATOM 0 HG2 GLU A 52 81.268 9.513 -15.591 1.00 0.00 H new ATOM 0 HG3 GLU A 52 82.940 9.059 -15.855 1.00 0.00 H new ATOM 929 N THR A 53 80.015 5.391 -13.953 1.00 0.00 N ATOM 930 CA THR A 53 79.802 4.052 -13.414 1.00 0.00 C ATOM 931 C THR A 53 78.731 4.051 -12.330 1.00 0.00 C ATOM 932 O THR A 53 78.020 3.060 -12.145 1.00 0.00 O ATOM 933 CB THR A 53 81.113 3.541 -12.833 1.00 0.00 C ATOM 934 OG1 THR A 53 81.689 4.580 -12.055 1.00 0.00 O ATOM 935 CG2 THR A 53 82.067 3.133 -13.955 1.00 0.00 C ATOM 0 H THR A 53 80.269 6.093 -13.258 1.00 0.00 H new ATOM 0 HA THR A 53 79.462 3.403 -14.221 1.00 0.00 H new ATOM 0 HB THR A 53 80.928 2.665 -12.211 1.00 0.00 H new ATOM 0 HG1 THR A 53 82.659 4.596 -12.197 1.00 0.00 H new ATOM 0 HG21 THR A 53 83.000 2.770 -13.525 1.00 0.00 H new ATOM 0 HG22 THR A 53 81.611 2.343 -14.551 1.00 0.00 H new ATOM 0 HG23 THR A 53 82.272 3.995 -14.590 1.00 0.00 H new ATOM 943 N GLY A 54 78.609 5.166 -11.617 1.00 0.00 N ATOM 944 CA GLY A 54 77.613 5.260 -10.548 1.00 0.00 C ATOM 945 C GLY A 54 78.188 4.793 -9.221 1.00 0.00 C ATOM 946 O GLY A 54 77.447 4.426 -8.313 1.00 0.00 O ATOM 0 H GLY A 54 79.174 6.004 -11.753 1.00 0.00 H new ATOM 0 HA2 GLY A 54 77.270 6.290 -10.456 1.00 0.00 H new ATOM 0 HA3 GLY A 54 76.743 4.655 -10.804 1.00 0.00 H new ATOM 950 N TYR A 55 79.512 4.813 -9.111 1.00 0.00 N ATOM 951 CA TYR A 55 80.167 4.394 -7.881 1.00 0.00 C ATOM 952 C TYR A 55 80.140 5.514 -6.851 1.00 0.00 C ATOM 953 O TYR A 55 79.897 6.668 -7.198 1.00 0.00 O ATOM 954 CB TYR A 55 81.614 3.999 -8.157 1.00 0.00 C ATOM 955 CG TYR A 55 81.672 2.603 -8.740 1.00 0.00 C ATOM 956 CD1 TYR A 55 81.199 1.517 -8.007 1.00 0.00 C ATOM 957 CD2 TYR A 55 82.193 2.399 -10.018 1.00 0.00 C ATOM 958 CE1 TYR A 55 81.247 0.238 -8.554 1.00 0.00 C ATOM 959 CE2 TYR A 55 82.239 1.119 -10.569 1.00 0.00 C ATOM 960 CZ TYR A 55 81.763 0.036 -9.836 1.00 0.00 C ATOM 961 OH TYR A 55 81.801 -1.233 -10.373 1.00 0.00 O ATOM 0 H TYR A 55 80.146 5.112 -9.852 1.00 0.00 H new ATOM 0 HA TYR A 55 79.626 3.533 -7.488 1.00 0.00 H new ATOM 0 HB2 TYR A 55 82.067 4.709 -8.849 1.00 0.00 H new ATOM 0 HB3 TYR A 55 82.192 4.040 -7.234 1.00 0.00 H new ATOM 0 HD1 TYR A 55 80.796 1.667 -7.016 1.00 0.00 H new ATOM 0 HD2 TYR A 55 82.564 3.240 -10.585 1.00 0.00 H new ATOM 0 HE1 TYR A 55 80.883 -0.604 -7.983 1.00 0.00 H new ATOM 0 HE2 TYR A 55 82.642 0.969 -11.560 1.00 0.00 H new ATOM 0 HH TYR A 55 82.712 -1.434 -10.674 1.00 0.00 H new ATOM 971 N VAL A 56 80.390 5.160 -5.588 1.00 0.00 N ATOM 972 CA VAL A 56 80.383 6.147 -4.514 1.00 0.00 C ATOM 973 C VAL A 56 81.429 7.216 -4.781 1.00 0.00 C ATOM 974 O VAL A 56 82.599 6.909 -4.959 1.00 0.00 O ATOM 975 CB VAL A 56 80.682 5.463 -3.180 1.00 0.00 C ATOM 976 CG1 VAL A 56 80.692 6.505 -2.059 1.00 0.00 C ATOM 977 CG2 VAL A 56 79.604 4.416 -2.891 1.00 0.00 C ATOM 0 H VAL A 56 80.597 4.207 -5.289 1.00 0.00 H new ATOM 0 HA VAL A 56 79.398 6.613 -4.470 1.00 0.00 H new ATOM 0 HB VAL A 56 81.657 4.978 -3.233 1.00 0.00 H new ATOM 0 HG11 VAL A 56 80.905 6.015 -1.109 1.00 0.00 H new ATOM 0 HG12 VAL A 56 81.460 7.251 -2.263 1.00 0.00 H new ATOM 0 HG13 VAL A 56 79.718 6.991 -2.006 1.00 0.00 H new ATOM 0 HG21 VAL A 56 79.817 3.928 -1.940 1.00 0.00 H new ATOM 0 HG22 VAL A 56 78.630 4.902 -2.840 1.00 0.00 H new ATOM 0 HG23 VAL A 56 79.597 3.672 -3.687 1.00 0.00 H new ATOM 987 N LYS A 57 80.992 8.472 -4.823 1.00 0.00 N ATOM 988 CA LYS A 57 81.906 9.580 -5.070 1.00 0.00 C ATOM 989 C LYS A 57 82.708 9.915 -3.819 1.00 0.00 C ATOM 990 O LYS A 57 83.933 10.040 -3.866 1.00 0.00 O ATOM 991 CB LYS A 57 81.120 10.812 -5.523 1.00 0.00 C ATOM 992 CG LYS A 57 82.042 12.033 -5.541 1.00 0.00 C ATOM 993 CD LYS A 57 81.446 13.111 -6.446 1.00 0.00 C ATOM 994 CE LYS A 57 82.230 14.413 -6.278 1.00 0.00 C ATOM 995 NZ LYS A 57 81.940 14.993 -4.934 1.00 0.00 N ATOM 0 H LYS A 57 80.018 8.745 -4.690 1.00 0.00 H new ATOM 0 HA LYS A 57 82.600 9.281 -5.855 1.00 0.00 H new ATOM 0 HB2 LYS A 57 80.703 10.644 -6.516 1.00 0.00 H new ATOM 0 HB3 LYS A 57 80.281 10.988 -4.850 1.00 0.00 H new ATOM 0 HG2 LYS A 57 82.168 12.421 -4.530 1.00 0.00 H new ATOM 0 HG3 LYS A 57 83.032 11.749 -5.899 1.00 0.00 H new ATOM 0 HD2 LYS A 57 81.479 12.786 -7.486 1.00 0.00 H new ATOM 0 HD3 LYS A 57 80.397 13.271 -6.196 1.00 0.00 H new ATOM 0 HE2 LYS A 57 83.298 14.224 -6.382 1.00 0.00 H new ATOM 0 HE3 LYS A 57 81.954 15.121 -7.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 82.130 16.015 -4.949 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 80.941 14.830 -4.694 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 82.546 14.538 -4.222 1.00 0.00 H new ATOM 1009 N LYS A 58 82.007 10.065 -2.700 1.00 0.00 N ATOM 1010 CA LYS A 58 82.664 10.390 -1.442 1.00 0.00 C ATOM 1011 C LYS A 58 81.880 9.832 -0.265 1.00 0.00 C ATOM 1012 O LYS A 58 80.654 9.731 -0.318 1.00 0.00 O ATOM 1013 CB LYS A 58 82.784 11.912 -1.297 1.00 0.00 C ATOM 1014 CG LYS A 58 81.385 12.539 -1.259 1.00 0.00 C ATOM 1015 CD LYS A 58 81.509 14.060 -1.172 1.00 0.00 C ATOM 1016 CE LYS A 58 80.111 14.680 -1.114 1.00 0.00 C ATOM 1017 NZ LYS A 58 79.422 14.237 0.132 1.00 0.00 N ATOM 0 H LYS A 58 80.993 9.968 -2.639 1.00 0.00 H new ATOM 0 HA LYS A 58 83.657 9.941 -1.447 1.00 0.00 H new ATOM 0 HB2 LYS A 58 83.328 12.158 -0.385 1.00 0.00 H new ATOM 0 HB3 LYS A 58 83.355 12.323 -2.130 1.00 0.00 H new ATOM 0 HG2 LYS A 58 80.826 12.260 -2.152 1.00 0.00 H new ATOM 0 HG3 LYS A 58 80.828 12.159 -0.402 1.00 0.00 H new ATOM 0 HD2 LYS A 58 82.080 14.340 -0.287 1.00 0.00 H new ATOM 0 HD3 LYS A 58 82.053 14.442 -2.036 1.00 0.00 H new ATOM 0 HE2 LYS A 58 80.183 15.767 -1.136 1.00 0.00 H new ATOM 0 HE3 LYS A 58 79.532 14.381 -1.988 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 78.655 14.901 0.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 79.026 13.286 -0.010 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 80.104 14.215 0.917 1.00 0.00 H new ATOM 1031 N LEU A 59 82.596 9.481 0.800 1.00 0.00 N ATOM 1032 CA LEU A 59 81.950 8.947 1.990 1.00 0.00 C ATOM 1033 C LEU A 59 82.708 9.346 3.249 1.00 0.00 C ATOM 1034 O LEU A 59 83.918 9.157 3.339 1.00 0.00 O ATOM 1035 CB LEU A 59 81.868 7.417 1.906 1.00 0.00 C ATOM 1036 CG LEU A 59 80.540 6.922 2.471 1.00 0.00 C ATOM 1037 CD1 LEU A 59 80.395 7.405 3.917 1.00 0.00 C ATOM 1038 CD2 LEU A 59 79.382 7.462 1.623 1.00 0.00 C ATOM 0 H LEU A 59 83.611 9.556 0.862 1.00 0.00 H new ATOM 0 HA LEU A 59 80.944 9.364 2.042 1.00 0.00 H new ATOM 0 HB2 LEU A 59 81.970 7.098 0.869 1.00 0.00 H new ATOM 0 HB3 LEU A 59 82.694 6.972 2.460 1.00 0.00 H new ATOM 0 HG LEU A 59 80.517 5.832 2.448 1.00 0.00 H new ATOM 0 HD11 LEU A 59 79.447 7.053 4.325 1.00 0.00 H new ATOM 0 HD12 LEU A 59 81.216 7.011 4.516 1.00 0.00 H new ATOM 0 HD13 LEU A 59 80.418 8.494 3.941 1.00 0.00 H new ATOM 0 HD21 LEU A 59 78.436 7.106 2.030 1.00 0.00 H new ATOM 0 HD22 LEU A 59 79.397 8.552 1.639 1.00 0.00 H new ATOM 0 HD23 LEU A 59 79.489 7.113 0.596 1.00 0.00 H new ATOM 1050 N GLN A 60 81.984 9.892 4.225 1.00 0.00 N ATOM 1051 CA GLN A 60 82.602 10.314 5.472 1.00 0.00 C ATOM 1052 C GLN A 60 82.839 9.112 6.378 1.00 0.00 C ATOM 1053 O GLN A 60 81.973 8.265 6.537 1.00 0.00 O ATOM 1054 CB GLN A 60 81.702 11.319 6.192 1.00 0.00 C ATOM 1055 CG GLN A 60 82.490 11.988 7.320 1.00 0.00 C ATOM 1056 CD GLN A 60 81.525 12.568 8.351 1.00 0.00 C ATOM 1057 OE1 GLN A 60 80.506 11.952 8.661 1.00 0.00 O ATOM 1058 NE2 GLN A 60 81.793 13.715 8.912 1.00 0.00 N ATOM 0 H GLN A 60 80.978 10.050 4.174 1.00 0.00 H new ATOM 0 HA GLN A 60 83.558 10.784 5.240 1.00 0.00 H new ATOM 0 HB2 GLN A 60 81.342 12.071 5.489 1.00 0.00 H new ATOM 0 HB3 GLN A 60 80.824 10.814 6.596 1.00 0.00 H new ATOM 0 HG2 GLN A 60 83.151 11.262 7.794 1.00 0.00 H new ATOM 0 HG3 GLN A 60 83.122 12.778 6.915 1.00 0.00 H new ATOM 0 HE21 GLN A 60 82.638 14.224 8.654 1.00 0.00 H new ATOM 0 HE22 GLN A 60 81.157 14.103 9.609 1.00 0.00 H new ATOM 1067 N ARG A 61 84.027 9.036 6.953 1.00 0.00 N ATOM 1068 CA ARG A 61 84.372 7.921 7.825 1.00 0.00 C ATOM 1069 C ARG A 61 83.753 8.107 9.207 1.00 0.00 C ATOM 1070 O ARG A 61 83.198 9.157 9.529 1.00 0.00 O ATOM 1071 CB ARG A 61 85.895 7.802 7.956 1.00 0.00 C ATOM 1072 CG ARG A 61 86.535 7.920 6.570 1.00 0.00 C ATOM 1073 CD ARG A 61 87.747 6.988 6.477 1.00 0.00 C ATOM 1074 NE ARG A 61 88.746 7.353 7.472 1.00 0.00 N ATOM 1075 CZ ARG A 61 89.808 6.586 7.691 1.00 0.00 C ATOM 1076 NH1 ARG A 61 89.970 5.485 7.009 1.00 0.00 N ATOM 1077 NH2 ARG A 61 90.690 6.933 8.588 1.00 0.00 N ATOM 0 H ARG A 61 84.767 9.728 6.834 1.00 0.00 H new ATOM 0 HA ARG A 61 83.976 7.007 7.382 1.00 0.00 H new ATOM 0 HB2 ARG A 61 86.277 8.584 8.613 1.00 0.00 H new ATOM 0 HB3 ARG A 61 86.159 6.847 8.410 1.00 0.00 H new ATOM 0 HG2 ARG A 61 85.807 7.663 5.800 1.00 0.00 H new ATOM 0 HG3 ARG A 61 86.842 8.950 6.388 1.00 0.00 H new ATOM 0 HD2 ARG A 61 87.432 5.956 6.630 1.00 0.00 H new ATOM 0 HD3 ARG A 61 88.181 7.044 5.479 1.00 0.00 H new ATOM 0 HE ARG A 61 88.628 8.212 8.010 1.00 0.00 H new ATOM 0 HH11 ARG A 61 89.281 5.213 6.308 1.00 0.00 H new ATOM 0 HH12 ARG A 61 90.786 4.896 7.177 1.00 0.00 H new ATOM 0 HH21 ARG A 61 90.564 7.793 9.121 1.00 0.00 H new ATOM 0 HH22 ARG A 61 91.505 6.344 8.756 1.00 0.00 H new ATOM 1091 N ARG A 62 83.874 7.081 10.038 1.00 0.00 N ATOM 1092 CA ARG A 62 83.340 7.140 11.398 1.00 0.00 C ATOM 1093 C ARG A 62 84.138 8.132 12.240 1.00 0.00 C ATOM 1094 O ARG A 62 83.740 8.493 13.350 1.00 0.00 O ATOM 1095 CB ARG A 62 83.386 5.764 12.055 1.00 0.00 C ATOM 1096 CG ARG A 62 82.391 5.714 13.219 1.00 0.00 C ATOM 1097 CD ARG A 62 81.018 5.269 12.712 1.00 0.00 C ATOM 1098 NE ARG A 62 80.922 3.815 12.732 1.00 0.00 N ATOM 1099 CZ ARG A 62 79.765 3.201 12.510 1.00 0.00 C ATOM 1100 NH1 ARG A 62 78.692 3.903 12.267 1.00 0.00 N ATOM 1101 NH2 ARG A 62 79.701 1.898 12.538 1.00 0.00 N ATOM 0 H ARG A 62 84.333 6.202 9.800 1.00 0.00 H new ATOM 0 HA ARG A 62 82.303 7.470 11.339 1.00 0.00 H new ATOM 0 HB2 ARG A 62 83.144 4.993 11.324 1.00 0.00 H new ATOM 0 HB3 ARG A 62 84.393 5.556 12.416 1.00 0.00 H new ATOM 0 HG2 ARG A 62 82.747 5.024 13.984 1.00 0.00 H new ATOM 0 HG3 ARG A 62 82.315 6.696 13.686 1.00 0.00 H new ATOM 0 HD2 ARG A 62 80.235 5.701 13.335 1.00 0.00 H new ATOM 0 HD3 ARG A 62 80.859 5.637 11.699 1.00 0.00 H new ATOM 0 HE ARG A 62 81.757 3.260 12.920 1.00 0.00 H new ATOM 0 HH11 ARG A 62 78.742 4.922 12.248 1.00 0.00 H new ATOM 0 HH12 ARG A 62 77.803 3.433 12.096 1.00 0.00 H new ATOM 0 HH21 ARG A 62 80.540 1.350 12.730 1.00 0.00 H new ATOM 0 HH22 ARG A 62 78.812 1.427 12.367 1.00 0.00 H new ATOM 1115 N ASP A 63 85.267 8.574 11.706 1.00 0.00 N ATOM 1116 CA ASP A 63 86.113 9.527 12.405 1.00 0.00 C ATOM 1117 C ASP A 63 85.823 10.946 11.952 1.00 0.00 C ATOM 1118 O ASP A 63 86.599 11.848 12.259 1.00 0.00 O ATOM 1119 CB ASP A 63 87.584 9.205 12.163 1.00 0.00 C ATOM 1120 CG ASP A 63 87.941 7.877 12.818 1.00 0.00 C ATOM 1121 OD1 ASP A 63 87.457 7.628 13.911 1.00 0.00 O ATOM 1122 OD2 ASP A 63 88.687 7.125 12.217 1.00 0.00 O ATOM 0 H ASP A 63 85.617 8.288 10.792 1.00 0.00 H new ATOM 0 HA ASP A 63 85.896 9.449 13.470 1.00 0.00 H new ATOM 0 HB2 ASP A 63 87.783 9.157 11.092 1.00 0.00 H new ATOM 0 HB3 ASP A 63 88.210 10.000 12.568 1.00 0.00 H new ATOM 1127 N ASN A 64 84.724 11.130 11.225 1.00 0.00 N ATOM 1128 CA ASN A 64 84.347 12.446 10.736 1.00 0.00 C ATOM 1129 C ASN A 64 85.370 12.980 9.744 1.00 0.00 C ATOM 1130 O ASN A 64 85.660 14.174 9.724 1.00 0.00 O ATOM 1131 CB ASN A 64 84.203 13.426 11.905 1.00 0.00 C ATOM 1132 CG ASN A 64 83.169 12.905 12.897 1.00 0.00 C ATOM 1133 OD1 ASN A 64 82.243 12.192 12.512 1.00 0.00 O ATOM 1134 ND2 ASN A 64 83.270 13.229 14.157 1.00 0.00 N ATOM 0 H ASN A 64 84.081 10.382 10.963 1.00 0.00 H new ATOM 0 HA ASN A 64 83.389 12.349 10.224 1.00 0.00 H new ATOM 0 HB2 ASN A 64 85.164 13.555 12.403 1.00 0.00 H new ATOM 0 HB3 ASN A 64 83.902 14.406 11.534 1.00 0.00 H new ATOM 0 HD21 ASN A 64 82.580 12.891 14.827 1.00 0.00 H new ATOM 0 HD22 ASN A 64 84.039 13.820 14.471 1.00 0.00 H new ATOM 1141 N THR A 65 85.899 12.082 8.912 1.00 0.00 N ATOM 1142 CA THR A 65 86.876 12.476 7.901 1.00 0.00 C ATOM 1143 C THR A 65 86.336 12.196 6.501 1.00 0.00 C ATOM 1144 O THR A 65 85.919 11.079 6.202 1.00 0.00 O ATOM 1145 CB THR A 65 88.182 11.710 8.113 1.00 0.00 C ATOM 1146 OG1 THR A 65 87.903 10.323 8.237 1.00 0.00 O ATOM 1147 CG2 THR A 65 88.868 12.213 9.384 1.00 0.00 C ATOM 0 H THR A 65 85.670 11.088 8.919 1.00 0.00 H new ATOM 0 HA THR A 65 87.065 13.545 7.997 1.00 0.00 H new ATOM 0 HB THR A 65 88.841 11.871 7.260 1.00 0.00 H new ATOM 0 HG1 THR A 65 88.473 9.936 8.934 1.00 0.00 H new ATOM 0 HG21 THR A 65 89.799 11.667 9.535 1.00 0.00 H new ATOM 0 HG22 THR A 65 89.083 13.277 9.285 1.00 0.00 H new ATOM 0 HG23 THR A 65 88.211 12.054 10.239 1.00 0.00 H new ATOM 1155 N PHE A 66 86.346 13.217 5.652 1.00 0.00 N ATOM 1156 CA PHE A 66 85.847 13.062 4.290 1.00 0.00 C ATOM 1157 C PHE A 66 86.816 12.232 3.461 1.00 0.00 C ATOM 1158 O PHE A 66 87.989 12.579 3.335 1.00 0.00 O ATOM 1159 CB PHE A 66 85.676 14.441 3.642 1.00 0.00 C ATOM 1160 CG PHE A 66 84.541 15.177 4.309 1.00 0.00 C ATOM 1161 CD1 PHE A 66 83.216 14.813 4.037 1.00 0.00 C ATOM 1162 CD2 PHE A 66 84.809 16.222 5.202 1.00 0.00 C ATOM 1163 CE1 PHE A 66 82.162 15.494 4.657 1.00 0.00 C ATOM 1164 CE2 PHE A 66 83.754 16.903 5.822 1.00 0.00 C ATOM 1165 CZ PHE A 66 82.430 16.539 5.549 1.00 0.00 C ATOM 0 H PHE A 66 86.690 14.150 5.878 1.00 0.00 H new ATOM 0 HA PHE A 66 84.885 12.551 4.328 1.00 0.00 H new ATOM 0 HB2 PHE A 66 86.598 15.014 3.735 1.00 0.00 H new ATOM 0 HB3 PHE A 66 85.475 14.331 2.576 1.00 0.00 H new ATOM 0 HD1 PHE A 66 83.008 14.007 3.349 1.00 0.00 H new ATOM 0 HD2 PHE A 66 85.830 16.503 5.413 1.00 0.00 H new ATOM 0 HE1 PHE A 66 81.141 15.213 4.447 1.00 0.00 H new ATOM 0 HE2 PHE A 66 83.962 17.709 6.511 1.00 0.00 H new ATOM 0 HZ PHE A 66 81.616 17.064 6.026 1.00 0.00 H new ATOM 1175 N PHE A 67 86.315 11.134 2.897 1.00 0.00 N ATOM 1176 CA PHE A 67 87.144 10.257 2.079 1.00 0.00 C ATOM 1177 C PHE A 67 86.575 10.165 0.666 1.00 0.00 C ATOM 1178 O PHE A 67 85.503 9.600 0.454 1.00 0.00 O ATOM 1179 CB PHE A 67 87.199 8.862 2.701 1.00 0.00 C ATOM 1180 CG PHE A 67 88.271 8.047 2.017 1.00 0.00 C ATOM 1181 CD1 PHE A 67 88.009 7.441 0.785 1.00 0.00 C ATOM 1182 CD2 PHE A 67 89.529 7.905 2.614 1.00 0.00 C ATOM 1183 CE1 PHE A 67 89.001 6.688 0.148 1.00 0.00 C ATOM 1184 CE2 PHE A 67 90.524 7.152 1.976 1.00 0.00 C ATOM 1185 CZ PHE A 67 90.258 6.541 0.744 1.00 0.00 C ATOM 0 H PHE A 67 85.345 10.834 2.992 1.00 0.00 H new ATOM 0 HA PHE A 67 88.152 10.670 2.032 1.00 0.00 H new ATOM 0 HB2 PHE A 67 87.409 8.936 3.768 1.00 0.00 H new ATOM 0 HB3 PHE A 67 86.232 8.369 2.600 1.00 0.00 H new ATOM 0 HD1 PHE A 67 87.039 7.554 0.324 1.00 0.00 H new ATOM 0 HD2 PHE A 67 89.733 8.375 3.565 1.00 0.00 H new ATOM 0 HE1 PHE A 67 88.796 6.220 -0.804 1.00 0.00 H new ATOM 0 HE2 PHE A 67 91.496 7.043 2.434 1.00 0.00 H new ATOM 0 HZ PHE A 67 91.023 5.957 0.254 1.00 0.00 H new ATOM 1195 N TYR A 68 87.303 10.724 -0.295 1.00 0.00 N ATOM 1196 CA TYR A 68 86.860 10.698 -1.683 1.00 0.00 C ATOM 1197 C TYR A 68 87.221 9.371 -2.338 1.00 0.00 C ATOM 1198 O TYR A 68 88.339 8.879 -2.191 1.00 0.00 O ATOM 1199 CB TYR A 68 87.511 11.847 -2.459 1.00 0.00 C ATOM 1200 CG TYR A 68 86.900 13.158 -2.031 1.00 0.00 C ATOM 1201 CD1 TYR A 68 87.449 13.875 -0.960 1.00 0.00 C ATOM 1202 CD2 TYR A 68 85.781 13.661 -2.707 1.00 0.00 C ATOM 1203 CE1 TYR A 68 86.879 15.090 -0.565 1.00 0.00 C ATOM 1204 CE2 TYR A 68 85.212 14.876 -2.313 1.00 0.00 C ATOM 1205 CZ TYR A 68 85.761 15.592 -1.242 1.00 0.00 C ATOM 1206 OH TYR A 68 85.199 16.791 -0.852 1.00 0.00 O ATOM 0 H TYR A 68 88.194 11.196 -0.140 1.00 0.00 H new ATOM 0 HA TYR A 68 85.776 10.814 -1.701 1.00 0.00 H new ATOM 0 HB2 TYR A 68 88.586 11.859 -2.277 1.00 0.00 H new ATOM 0 HB3 TYR A 68 87.370 11.701 -3.530 1.00 0.00 H new ATOM 0 HD1 TYR A 68 88.313 13.490 -0.439 1.00 0.00 H new ATOM 0 HD2 TYR A 68 85.357 13.110 -3.533 1.00 0.00 H new ATOM 0 HE1 TYR A 68 87.301 15.641 0.262 1.00 0.00 H new ATOM 0 HE2 TYR A 68 84.349 15.262 -2.835 1.00 0.00 H new ATOM 0 HH TYR A 68 84.432 16.995 -1.427 1.00 0.00 H new ATOM 1216 N TYR A 69 86.273 8.803 -3.075 1.00 0.00 N ATOM 1217 CA TYR A 69 86.497 7.536 -3.762 1.00 0.00 C ATOM 1218 C TYR A 69 86.675 7.768 -5.259 1.00 0.00 C ATOM 1219 O TYR A 69 86.165 8.745 -5.808 1.00 0.00 O ATOM 1220 CB TYR A 69 85.324 6.590 -3.521 1.00 0.00 C ATOM 1221 CG TYR A 69 85.366 6.068 -2.108 1.00 0.00 C ATOM 1222 CD1 TYR A 69 84.756 6.788 -1.076 1.00 0.00 C ATOM 1223 CD2 TYR A 69 86.016 4.862 -1.828 1.00 0.00 C ATOM 1224 CE1 TYR A 69 84.801 6.301 0.234 1.00 0.00 C ATOM 1225 CE2 TYR A 69 86.057 4.375 -0.515 1.00 0.00 C ATOM 1226 CZ TYR A 69 85.451 5.097 0.514 1.00 0.00 C ATOM 1227 OH TYR A 69 85.494 4.624 1.809 1.00 0.00 O ATOM 0 H TYR A 69 85.343 9.199 -3.212 1.00 0.00 H new ATOM 0 HA TYR A 69 87.406 7.084 -3.364 1.00 0.00 H new ATOM 0 HB2 TYR A 69 84.383 7.112 -3.697 1.00 0.00 H new ATOM 0 HB3 TYR A 69 85.365 5.760 -4.226 1.00 0.00 H new ATOM 0 HD1 TYR A 69 84.251 7.718 -1.290 1.00 0.00 H new ATOM 0 HD2 TYR A 69 86.487 4.305 -2.625 1.00 0.00 H new ATOM 0 HE1 TYR A 69 84.332 6.858 1.032 1.00 0.00 H new ATOM 0 HE2 TYR A 69 86.557 3.442 -0.300 1.00 0.00 H new ATOM 0 HH TYR A 69 84.703 4.072 1.982 1.00 0.00 H new ATOM 1237 N ASN A 70 87.401 6.868 -5.908 1.00 0.00 N ATOM 1238 CA ASN A 70 87.641 6.978 -7.344 1.00 0.00 C ATOM 1239 C ASN A 70 86.616 6.167 -8.124 1.00 0.00 C ATOM 1240 O ASN A 70 86.602 4.936 -8.055 1.00 0.00 O ATOM 1241 CB ASN A 70 89.050 6.487 -7.674 1.00 0.00 C ATOM 1242 CG ASN A 70 89.305 6.606 -9.169 1.00 0.00 C ATOM 1243 OD1 ASN A 70 89.325 7.711 -9.715 1.00 0.00 O ATOM 1244 ND2 ASN A 70 89.490 5.527 -9.872 1.00 0.00 N ATOM 0 H ASN A 70 87.833 6.056 -5.467 1.00 0.00 H new ATOM 0 HA ASN A 70 87.546 8.025 -7.631 1.00 0.00 H new ATOM 0 HB2 ASN A 70 89.786 7.072 -7.123 1.00 0.00 H new ATOM 0 HB3 ASN A 70 89.166 5.450 -7.358 1.00 0.00 H new ATOM 0 HD21 ASN A 70 89.652 5.594 -10.877 1.00 0.00 H new ATOM 0 HD22 ASN A 70 89.473 4.614 -9.418 1.00 0.00 H new ATOM 1251 N LYS A 71 85.754 6.857 -8.861 1.00 0.00 N ATOM 1252 CA LYS A 71 84.731 6.178 -9.637 1.00 0.00 C ATOM 1253 C LYS A 71 85.319 4.960 -10.347 1.00 0.00 C ATOM 1254 O LYS A 71 84.682 3.916 -10.448 1.00 0.00 O ATOM 1255 CB LYS A 71 84.126 7.135 -10.670 1.00 0.00 C ATOM 1256 CG LYS A 71 85.217 7.622 -11.627 1.00 0.00 C ATOM 1257 CD LYS A 71 84.582 8.410 -12.766 1.00 0.00 C ATOM 1258 CE LYS A 71 85.681 8.876 -13.724 1.00 0.00 C ATOM 1259 NZ LYS A 71 85.064 9.592 -14.874 1.00 0.00 N ATOM 0 H LYS A 71 85.744 7.874 -8.936 1.00 0.00 H new ATOM 0 HA LYS A 71 83.948 5.846 -8.955 1.00 0.00 H new ATOM 0 HB2 LYS A 71 83.338 6.630 -11.229 1.00 0.00 H new ATOM 0 HB3 LYS A 71 83.666 7.985 -10.166 1.00 0.00 H new ATOM 0 HG2 LYS A 71 85.931 8.248 -11.092 1.00 0.00 H new ATOM 0 HG3 LYS A 71 85.772 6.772 -12.024 1.00 0.00 H new ATOM 0 HD2 LYS A 71 83.859 7.789 -13.296 1.00 0.00 H new ATOM 0 HD3 LYS A 71 84.037 9.268 -12.372 1.00 0.00 H new ATOM 0 HE2 LYS A 71 86.378 9.533 -13.204 1.00 0.00 H new ATOM 0 HE3 LYS A 71 86.255 8.021 -14.080 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 85.725 10.312 -15.229 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 84.852 8.913 -15.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 84.184 10.052 -14.565 1.00 0.00 H new ATOM 1273 N GLU A 72 86.549 5.091 -10.813 1.00 0.00 N ATOM 1274 CA GLU A 72 87.209 3.995 -11.501 1.00 0.00 C ATOM 1275 C GLU A 72 87.519 2.915 -10.483 1.00 0.00 C ATOM 1276 O GLU A 72 87.719 3.208 -9.305 1.00 0.00 O ATOM 1277 CB GLU A 72 88.487 4.488 -12.179 1.00 0.00 C ATOM 1278 CG GLU A 72 88.472 4.095 -13.657 1.00 0.00 C ATOM 1279 CD GLU A 72 89.717 4.638 -14.353 1.00 0.00 C ATOM 1280 OE1 GLU A 72 89.876 5.849 -14.378 1.00 0.00 O ATOM 1281 OE2 GLU A 72 90.491 3.838 -14.846 1.00 0.00 O ATOM 0 H GLU A 72 87.108 5.940 -10.728 1.00 0.00 H new ATOM 0 HA GLU A 72 86.560 3.591 -12.278 1.00 0.00 H new ATOM 0 HB2 GLU A 72 88.567 5.571 -12.082 1.00 0.00 H new ATOM 0 HB3 GLU A 72 89.360 4.058 -11.687 1.00 0.00 H new ATOM 0 HG2 GLU A 72 88.435 3.010 -13.753 1.00 0.00 H new ATOM 0 HG3 GLU A 72 87.576 4.488 -14.137 1.00 0.00 H new ATOM 1288 N ARG A 73 87.562 1.680 -10.951 1.00 0.00 N ATOM 1289 CA ARG A 73 87.838 0.554 -10.077 1.00 0.00 C ATOM 1290 C ARG A 73 88.953 -0.341 -10.604 1.00 0.00 C ATOM 1291 O ARG A 73 89.050 -0.600 -11.801 1.00 0.00 O ATOM 1292 CB ARG A 73 86.565 -0.290 -9.928 1.00 0.00 C ATOM 1293 CG ARG A 73 86.082 -0.267 -8.486 1.00 0.00 C ATOM 1294 CD ARG A 73 87.098 -0.985 -7.585 1.00 0.00 C ATOM 1295 NE ARG A 73 86.898 -0.600 -6.195 1.00 0.00 N ATOM 1296 CZ ARG A 73 87.852 -0.785 -5.290 1.00 0.00 C ATOM 1297 NH1 ARG A 73 88.991 -1.315 -5.642 1.00 0.00 N ATOM 1298 NH2 ARG A 73 87.650 -0.441 -4.050 1.00 0.00 N ATOM 0 H ARG A 73 87.410 1.432 -11.929 1.00 0.00 H new ATOM 0 HA ARG A 73 88.162 0.961 -9.119 1.00 0.00 H new ATOM 0 HB2 ARG A 73 85.786 0.095 -10.586 1.00 0.00 H new ATOM 0 HB3 ARG A 73 86.763 -1.317 -10.236 1.00 0.00 H new ATOM 0 HG2 ARG A 73 85.951 0.763 -8.153 1.00 0.00 H new ATOM 0 HG3 ARG A 73 85.109 -0.752 -8.411 1.00 0.00 H new ATOM 0 HD2 ARG A 73 86.989 -2.064 -7.690 1.00 0.00 H new ATOM 0 HD3 ARG A 73 88.112 -0.735 -7.897 1.00 0.00 H new ATOM 0 HE ARG A 73 86.012 -0.182 -5.912 1.00 0.00 H new ATOM 0 HH11 ARG A 73 89.149 -1.587 -6.612 1.00 0.00 H new ATOM 0 HH12 ARG A 73 89.724 -1.457 -4.947 1.00 0.00 H new ATOM 0 HH21 ARG A 73 86.759 -0.029 -3.774 1.00 0.00 H new ATOM 0 HH22 ARG A 73 88.383 -0.583 -3.355 1.00 0.00 H new ATOM 1312 N GLU A 74 89.792 -0.840 -9.688 1.00 0.00 N ATOM 1313 CA GLU A 74 90.889 -1.728 -10.060 1.00 0.00 C ATOM 1314 C GLU A 74 90.941 -2.900 -9.069 1.00 0.00 C ATOM 1315 O GLU A 74 92.016 -3.377 -8.693 1.00 0.00 O ATOM 1316 CB GLU A 74 92.219 -0.969 -10.041 1.00 0.00 C ATOM 1317 CG GLU A 74 92.029 0.380 -9.360 1.00 0.00 C ATOM 1318 CD GLU A 74 93.386 1.015 -9.083 1.00 0.00 C ATOM 1319 OE1 GLU A 74 94.238 0.327 -8.544 1.00 0.00 O ATOM 1320 OE2 GLU A 74 93.553 2.177 -9.410 1.00 0.00 O ATOM 0 H GLU A 74 89.729 -0.642 -8.689 1.00 0.00 H new ATOM 0 HA GLU A 74 90.722 -2.105 -11.069 1.00 0.00 H new ATOM 0 HB2 GLU A 74 92.974 -1.551 -9.512 1.00 0.00 H new ATOM 0 HB3 GLU A 74 92.582 -0.826 -11.059 1.00 0.00 H new ATOM 0 HG2 GLU A 74 91.433 1.037 -9.994 1.00 0.00 H new ATOM 0 HG3 GLU A 74 91.480 0.252 -8.427 1.00 0.00 H new ATOM 1327 N CYS A 75 89.776 -3.377 -8.670 1.00 0.00 N ATOM 1328 CA CYS A 75 89.700 -4.498 -7.733 1.00 0.00 C ATOM 1329 C CYS A 75 89.725 -5.844 -8.451 1.00 0.00 C ATOM 1330 O CYS A 75 89.260 -5.968 -9.584 1.00 0.00 O ATOM 1331 CB CYS A 75 88.427 -4.395 -6.894 1.00 0.00 C ATOM 1332 SG CYS A 75 88.239 -5.881 -5.883 1.00 0.00 S ATOM 0 H CYS A 75 88.873 -3.014 -8.974 1.00 0.00 H new ATOM 0 HA CYS A 75 90.577 -4.442 -7.088 1.00 0.00 H new ATOM 0 HB2 CYS A 75 88.472 -3.513 -6.255 1.00 0.00 H new ATOM 0 HB3 CYS A 75 87.561 -4.274 -7.544 1.00 0.00 H new ATOM 0 HG CYS A 75 87.282 -5.701 -5.021 1.00 0.00 H new ATOM 1338 N GLU A 76 90.282 -6.853 -7.780 1.00 0.00 N ATOM 1339 CA GLU A 76 90.368 -8.193 -8.354 1.00 0.00 C ATOM 1340 C GLU A 76 89.876 -9.231 -7.353 1.00 0.00 C ATOM 1341 O GLU A 76 89.573 -8.903 -6.207 1.00 0.00 O ATOM 1342 CB GLU A 76 91.805 -8.508 -8.760 1.00 0.00 C ATOM 1343 CG GLU A 76 92.103 -7.863 -10.116 1.00 0.00 C ATOM 1344 CD GLU A 76 91.369 -8.609 -11.226 1.00 0.00 C ATOM 1345 OE1 GLU A 76 91.936 -9.550 -11.755 1.00 0.00 O ATOM 1346 OE2 GLU A 76 90.252 -8.226 -11.532 1.00 0.00 O ATOM 0 H GLU A 76 90.678 -6.767 -6.844 1.00 0.00 H new ATOM 0 HA GLU A 76 89.735 -8.227 -9.241 1.00 0.00 H new ATOM 0 HB2 GLU A 76 92.498 -8.133 -8.007 1.00 0.00 H new ATOM 0 HB3 GLU A 76 91.950 -9.587 -8.818 1.00 0.00 H new ATOM 0 HG2 GLU A 76 91.795 -6.817 -10.105 1.00 0.00 H new ATOM 0 HG3 GLU A 76 93.176 -7.877 -10.306 1.00 0.00 H new ATOM 1353 N ASP A 77 89.795 -10.482 -7.796 1.00 0.00 N ATOM 1354 CA ASP A 77 89.331 -11.561 -6.929 1.00 0.00 C ATOM 1355 C ASP A 77 90.135 -11.588 -5.632 1.00 0.00 C ATOM 1356 O ASP A 77 89.695 -12.146 -4.620 1.00 0.00 O ATOM 1357 CB ASP A 77 89.480 -12.904 -7.653 1.00 0.00 C ATOM 1358 CG ASP A 77 90.937 -13.130 -8.044 1.00 0.00 C ATOM 1359 OD1 ASP A 77 91.747 -12.263 -7.761 1.00 0.00 O ATOM 1360 OD2 ASP A 77 91.221 -14.165 -8.623 1.00 0.00 O ATOM 0 H ASP A 77 90.042 -10.773 -8.742 1.00 0.00 H new ATOM 0 HA ASP A 77 88.282 -11.389 -6.688 1.00 0.00 H new ATOM 0 HB2 ASP A 77 89.139 -13.714 -7.008 1.00 0.00 H new ATOM 0 HB3 ASP A 77 88.850 -12.918 -8.543 1.00 0.00 H new ATOM 1365 N LYS A 78 91.310 -10.967 -5.659 1.00 0.00 N ATOM 1366 CA LYS A 78 92.162 -10.909 -4.479 1.00 0.00 C ATOM 1367 C LYS A 78 91.522 -10.052 -3.389 1.00 0.00 C ATOM 1368 O LYS A 78 91.597 -10.374 -2.200 1.00 0.00 O ATOM 1369 CB LYS A 78 93.533 -10.332 -4.852 1.00 0.00 C ATOM 1370 CG LYS A 78 94.287 -11.334 -5.732 1.00 0.00 C ATOM 1371 CD LYS A 78 95.084 -12.299 -4.848 1.00 0.00 C ATOM 1372 CE LYS A 78 95.647 -13.429 -5.708 1.00 0.00 C ATOM 1373 NZ LYS A 78 94.547 -14.367 -6.074 1.00 0.00 N ATOM 0 H LYS A 78 91.692 -10.499 -6.481 1.00 0.00 H new ATOM 0 HA LYS A 78 92.286 -11.922 -4.096 1.00 0.00 H new ATOM 0 HB2 LYS A 78 93.410 -9.387 -5.382 1.00 0.00 H new ATOM 0 HB3 LYS A 78 94.107 -10.119 -3.950 1.00 0.00 H new ATOM 0 HG2 LYS A 78 93.584 -11.890 -6.352 1.00 0.00 H new ATOM 0 HG3 LYS A 78 94.959 -10.805 -6.408 1.00 0.00 H new ATOM 0 HD2 LYS A 78 95.895 -11.768 -4.350 1.00 0.00 H new ATOM 0 HD3 LYS A 78 94.443 -12.707 -4.066 1.00 0.00 H new ATOM 0 HE2 LYS A 78 96.107 -13.021 -6.608 1.00 0.00 H new ATOM 0 HE3 LYS A 78 96.428 -13.961 -5.164 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 94.952 -15.273 -6.385 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 93.937 -14.527 -5.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 93.983 -13.957 -6.846 1.00 0.00 H new ATOM 1387 N GLU A 79 90.874 -8.973 -3.799 1.00 0.00 N ATOM 1388 CA GLU A 79 90.225 -8.077 -2.852 1.00 0.00 C ATOM 1389 C GLU A 79 88.858 -8.621 -2.464 1.00 0.00 C ATOM 1390 O GLU A 79 88.405 -8.433 -1.336 1.00 0.00 O ATOM 1391 CB GLU A 79 90.080 -6.683 -3.460 1.00 0.00 C ATOM 1392 CG GLU A 79 91.007 -5.705 -2.734 1.00 0.00 C ATOM 1393 CD GLU A 79 90.537 -5.514 -1.295 1.00 0.00 C ATOM 1394 OE1 GLU A 79 89.425 -5.046 -1.114 1.00 0.00 O ATOM 1395 OE2 GLU A 79 91.294 -5.843 -0.398 1.00 0.00 O ATOM 0 H GLU A 79 90.783 -8.696 -4.777 1.00 0.00 H new ATOM 0 HA GLU A 79 90.843 -8.009 -1.957 1.00 0.00 H new ATOM 0 HB2 GLU A 79 90.325 -6.711 -4.522 1.00 0.00 H new ATOM 0 HB3 GLU A 79 89.046 -6.347 -3.380 1.00 0.00 H new ATOM 0 HG2 GLU A 79 92.029 -6.083 -2.745 1.00 0.00 H new ATOM 0 HG3 GLU A 79 91.017 -4.746 -3.253 1.00 0.00 H new ATOM 1402 N VAL A 80 88.208 -9.308 -3.396 1.00 0.00 N ATOM 1403 CA VAL A 80 86.890 -9.868 -3.134 1.00 0.00 C ATOM 1404 C VAL A 80 86.957 -10.813 -1.936 1.00 0.00 C ATOM 1405 O VAL A 80 86.066 -10.830 -1.088 1.00 0.00 O ATOM 1406 CB VAL A 80 86.416 -10.643 -4.354 1.00 0.00 C ATOM 1407 CG1 VAL A 80 85.065 -11.273 -4.044 1.00 0.00 C ATOM 1408 CG2 VAL A 80 86.284 -9.689 -5.543 1.00 0.00 C ATOM 0 H VAL A 80 88.569 -9.489 -4.332 1.00 0.00 H new ATOM 0 HA VAL A 80 86.194 -9.057 -2.918 1.00 0.00 H new ATOM 0 HB VAL A 80 87.135 -11.424 -4.602 1.00 0.00 H new ATOM 0 HG11 VAL A 80 84.716 -11.831 -4.913 1.00 0.00 H new ATOM 0 HG12 VAL A 80 85.165 -11.949 -3.195 1.00 0.00 H new ATOM 0 HG13 VAL A 80 84.346 -10.491 -3.803 1.00 0.00 H new ATOM 0 HG21 VAL A 80 85.944 -10.243 -6.418 1.00 0.00 H new ATOM 0 HG22 VAL A 80 85.561 -8.908 -5.305 1.00 0.00 H new ATOM 0 HG23 VAL A 80 87.252 -9.235 -5.754 1.00 0.00 H new ATOM 1418 N HIS A 81 88.026 -11.591 -1.878 1.00 0.00 N ATOM 1419 CA HIS A 81 88.221 -12.533 -0.771 1.00 0.00 C ATOM 1420 C HIS A 81 88.606 -11.801 0.510 1.00 0.00 C ATOM 1421 O HIS A 81 88.149 -12.153 1.602 1.00 0.00 O ATOM 1422 CB HIS A 81 89.307 -13.549 -1.119 1.00 0.00 C ATOM 1423 CG HIS A 81 88.824 -14.432 -2.238 1.00 0.00 C ATOM 1424 ND1 HIS A 81 89.626 -15.408 -2.807 1.00 0.00 N ATOM 1425 CD2 HIS A 81 87.629 -14.488 -2.913 1.00 0.00 C ATOM 1426 CE1 HIS A 81 88.911 -16.005 -3.777 1.00 0.00 C ATOM 1427 NE2 HIS A 81 87.687 -15.482 -3.884 1.00 0.00 N ATOM 0 H HIS A 81 88.771 -11.595 -2.575 1.00 0.00 H new ATOM 0 HA HIS A 81 87.277 -13.053 -0.609 1.00 0.00 H new ATOM 0 HB2 HIS A 81 90.221 -13.034 -1.416 1.00 0.00 H new ATOM 0 HB3 HIS A 81 89.550 -14.152 -0.244 1.00 0.00 H new ATOM 0 HD2 HIS A 81 86.775 -13.856 -2.719 1.00 0.00 H new ATOM 0 HE1 HIS A 81 89.282 -16.810 -4.395 1.00 0.00 H new ATOM 0 HE2 HIS A 81 86.952 -15.753 -4.538 1.00 0.00 H new ATOM 1435 N LYS A 82 89.445 -10.776 0.375 1.00 0.00 N ATOM 1436 CA LYS A 82 89.875 -9.994 1.530 1.00 0.00 C ATOM 1437 C LYS A 82 88.726 -9.145 2.065 1.00 0.00 C ATOM 1438 O LYS A 82 88.739 -8.723 3.221 1.00 0.00 O ATOM 1439 CB LYS A 82 91.041 -9.092 1.138 1.00 0.00 C ATOM 1440 CG LYS A 82 92.268 -9.952 0.819 1.00 0.00 C ATOM 1441 CD LYS A 82 93.397 -9.604 1.793 1.00 0.00 C ATOM 1442 CE LYS A 82 93.850 -8.159 1.564 1.00 0.00 C ATOM 1443 NZ LYS A 82 93.351 -7.301 2.675 1.00 0.00 N ATOM 0 H LYS A 82 89.837 -10.470 -0.515 1.00 0.00 H new ATOM 0 HA LYS A 82 90.193 -10.682 2.314 1.00 0.00 H new ATOM 0 HB2 LYS A 82 90.772 -8.488 0.271 1.00 0.00 H new ATOM 0 HB3 LYS A 82 91.269 -8.401 1.950 1.00 0.00 H new ATOM 0 HG2 LYS A 82 92.016 -11.009 0.899 1.00 0.00 H new ATOM 0 HG3 LYS A 82 92.591 -9.778 -0.207 1.00 0.00 H new ATOM 0 HD2 LYS A 82 93.055 -9.730 2.820 1.00 0.00 H new ATOM 0 HD3 LYS A 82 94.236 -10.285 1.651 1.00 0.00 H new ATOM 0 HE2 LYS A 82 94.938 -8.111 1.513 1.00 0.00 H new ATOM 0 HE3 LYS A 82 93.470 -7.794 0.610 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 92.500 -6.791 2.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 93.118 -7.896 3.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 94.087 -6.616 2.942 1.00 0.00 H new ATOM 1457 N VAL A 83 87.736 -8.894 1.217 1.00 0.00 N ATOM 1458 CA VAL A 83 86.584 -8.091 1.609 1.00 0.00 C ATOM 1459 C VAL A 83 85.516 -8.969 2.252 1.00 0.00 C ATOM 1460 O VAL A 83 85.247 -10.074 1.782 1.00 0.00 O ATOM 1461 CB VAL A 83 85.999 -7.378 0.392 1.00 0.00 C ATOM 1462 CG1 VAL A 83 84.772 -6.564 0.813 1.00 0.00 C ATOM 1463 CG2 VAL A 83 87.056 -6.440 -0.202 1.00 0.00 C ATOM 0 H VAL A 83 87.707 -9.234 0.256 1.00 0.00 H new ATOM 0 HA VAL A 83 86.915 -7.348 2.335 1.00 0.00 H new ATOM 0 HB VAL A 83 85.703 -8.115 -0.354 1.00 0.00 H new ATOM 0 HG11 VAL A 83 84.356 -6.056 -0.057 1.00 0.00 H new ATOM 0 HG12 VAL A 83 84.021 -7.231 1.237 1.00 0.00 H new ATOM 0 HG13 VAL A 83 85.064 -5.825 1.559 1.00 0.00 H new ATOM 0 HG21 VAL A 83 86.642 -5.929 -1.071 1.00 0.00 H new ATOM 0 HG22 VAL A 83 87.350 -5.703 0.546 1.00 0.00 H new ATOM 0 HG23 VAL A 83 87.929 -7.020 -0.503 1.00 0.00 H new ATOM 1473 N LYS A 84 84.911 -8.468 3.327 1.00 0.00 N ATOM 1474 CA LYS A 84 83.873 -9.212 4.030 1.00 0.00 C ATOM 1475 C LYS A 84 82.510 -8.585 3.788 1.00 0.00 C ATOM 1476 O LYS A 84 82.389 -7.367 3.740 1.00 0.00 O ATOM 1477 CB LYS A 84 84.178 -9.226 5.535 1.00 0.00 C ATOM 1478 CG LYS A 84 84.173 -7.813 6.081 1.00 0.00 C ATOM 1479 CD LYS A 84 84.528 -7.864 7.566 1.00 0.00 C ATOM 1480 CE LYS A 84 84.510 -6.454 8.112 1.00 0.00 C ATOM 1481 NZ LYS A 84 84.851 -6.467 9.570 1.00 0.00 N ATOM 0 H LYS A 84 85.122 -7.554 3.727 1.00 0.00 H new ATOM 0 HA LYS A 84 83.858 -10.234 3.651 1.00 0.00 H new ATOM 0 HB2 LYS A 84 83.436 -9.829 6.059 1.00 0.00 H new ATOM 0 HB3 LYS A 84 85.148 -9.689 5.713 1.00 0.00 H new ATOM 0 HG2 LYS A 84 84.891 -7.196 5.541 1.00 0.00 H new ATOM 0 HG3 LYS A 84 83.193 -7.357 5.942 1.00 0.00 H new ATOM 0 HD2 LYS A 84 83.815 -8.488 8.105 1.00 0.00 H new ATOM 0 HD3 LYS A 84 85.512 -8.312 7.705 1.00 0.00 H new ATOM 0 HE2 LYS A 84 85.224 -5.835 7.568 1.00 0.00 H new ATOM 0 HE3 LYS A 84 83.526 -6.010 7.964 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 84.837 -5.495 9.939 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 84.154 -7.043 10.084 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 85.799 -6.873 9.701 1.00 0.00 H new ATOM 1495 N VAL A 85 81.484 -9.425 3.641 1.00 0.00 N ATOM 1496 CA VAL A 85 80.131 -8.926 3.410 1.00 0.00 C ATOM 1497 C VAL A 85 79.215 -9.317 4.566 1.00 0.00 C ATOM 1498 O VAL A 85 79.063 -10.497 4.883 1.00 0.00 O ATOM 1499 CB VAL A 85 79.582 -9.498 2.103 1.00 0.00 C ATOM 1500 CG1 VAL A 85 78.196 -8.930 1.831 1.00 0.00 C ATOM 1501 CG2 VAL A 85 80.525 -9.151 0.956 1.00 0.00 C ATOM 0 H VAL A 85 81.564 -10.441 3.677 1.00 0.00 H new ATOM 0 HA VAL A 85 80.168 -7.839 3.342 1.00 0.00 H new ATOM 0 HB VAL A 85 79.507 -10.582 2.187 1.00 0.00 H new ATOM 0 HG11 VAL A 85 77.811 -9.342 0.898 1.00 0.00 H new ATOM 0 HG12 VAL A 85 77.527 -9.196 2.649 1.00 0.00 H new ATOM 0 HG13 VAL A 85 78.257 -7.845 1.751 1.00 0.00 H new ATOM 0 HG21 VAL A 85 80.132 -9.560 0.025 1.00 0.00 H new ATOM 0 HG22 VAL A 85 80.610 -8.068 0.869 1.00 0.00 H new ATOM 0 HG23 VAL A 85 81.509 -9.577 1.152 1.00 0.00 H new ATOM 1511 N TYR A 86 78.603 -8.316 5.191 1.00 0.00 N ATOM 1512 CA TYR A 86 77.701 -8.562 6.310 1.00 0.00 C ATOM 1513 C TYR A 86 76.284 -8.805 5.809 1.00 0.00 C ATOM 1514 O TYR A 86 75.865 -8.230 4.805 1.00 0.00 O ATOM 1515 CB TYR A 86 77.717 -7.368 7.266 1.00 0.00 C ATOM 1516 CG TYR A 86 76.661 -6.370 6.849 1.00 0.00 C ATOM 1517 CD1 TYR A 86 76.640 -5.879 5.542 1.00 0.00 C ATOM 1518 CD2 TYR A 86 75.694 -5.949 7.766 1.00 0.00 C ATOM 1519 CE1 TYR A 86 75.653 -4.962 5.156 1.00 0.00 C ATOM 1520 CE2 TYR A 86 74.710 -5.034 7.381 1.00 0.00 C ATOM 1521 CZ TYR A 86 74.690 -4.541 6.075 1.00 0.00 C ATOM 1522 OH TYR A 86 73.723 -3.635 5.692 1.00 0.00 O ATOM 0 H TYR A 86 78.714 -7.333 4.943 1.00 0.00 H new ATOM 0 HA TYR A 86 78.041 -9.451 6.841 1.00 0.00 H new ATOM 0 HB2 TYR A 86 77.532 -7.704 8.286 1.00 0.00 H new ATOM 0 HB3 TYR A 86 78.700 -6.897 7.259 1.00 0.00 H new ATOM 0 HD1 TYR A 86 77.383 -6.205 4.830 1.00 0.00 H new ATOM 0 HD2 TYR A 86 75.707 -6.332 8.776 1.00 0.00 H new ATOM 0 HE1 TYR A 86 75.637 -4.580 4.146 1.00 0.00 H new ATOM 0 HE2 TYR A 86 73.966 -4.709 8.093 1.00 0.00 H new ATOM 0 HH TYR A 86 73.492 -3.062 6.453 1.00 0.00 H new ATOM 1532 N VAL A 87 75.548 -9.666 6.510 1.00 0.00 N ATOM 1533 CA VAL A 87 74.178 -9.972 6.121 1.00 0.00 C ATOM 1534 C VAL A 87 73.235 -9.802 7.310 1.00 0.00 C ATOM 1535 O VAL A 87 73.446 -10.390 8.374 1.00 0.00 O ATOM 1536 CB VAL A 87 74.090 -11.410 5.602 1.00 0.00 C ATOM 1537 CG1 VAL A 87 74.110 -12.386 6.780 1.00 0.00 C ATOM 1538 CG2 VAL A 87 72.795 -11.591 4.813 1.00 0.00 C ATOM 0 H VAL A 87 75.875 -10.158 7.341 1.00 0.00 H new ATOM 0 HA VAL A 87 73.881 -9.282 5.331 1.00 0.00 H new ATOM 0 HB VAL A 87 74.942 -11.610 4.953 1.00 0.00 H new ATOM 0 HG11 VAL A 87 74.047 -13.408 6.407 1.00 0.00 H new ATOM 0 HG12 VAL A 87 75.036 -12.261 7.341 1.00 0.00 H new ATOM 0 HG13 VAL A 87 73.261 -12.185 7.433 1.00 0.00 H new ATOM 0 HG21 VAL A 87 72.734 -12.615 4.444 1.00 0.00 H new ATOM 0 HG22 VAL A 87 71.943 -11.387 5.461 1.00 0.00 H new ATOM 0 HG23 VAL A 87 72.783 -10.900 3.970 1.00 0.00 H new ATOM 1548 N TYR A 88 72.196 -8.994 7.120 1.00 0.00 N ATOM 1549 CA TYR A 88 71.223 -8.756 8.180 1.00 0.00 C ATOM 1550 C TYR A 88 70.667 -10.078 8.697 1.00 0.00 C ATOM 1551 O TYR A 88 70.201 -10.103 9.824 1.00 0.00 O ATOM 1552 CB TYR A 88 70.082 -7.889 7.648 1.00 0.00 C ATOM 1553 CG TYR A 88 69.200 -8.715 6.740 1.00 0.00 C ATOM 1554 CD1 TYR A 88 69.629 -9.021 5.442 1.00 0.00 C ATOM 1555 CD2 TYR A 88 67.960 -9.179 7.196 1.00 0.00 C ATOM 1556 CE1 TYR A 88 68.815 -9.789 4.600 1.00 0.00 C ATOM 1557 CE2 TYR A 88 67.147 -9.945 6.353 1.00 0.00 C ATOM 1558 CZ TYR A 88 67.574 -10.249 5.054 1.00 0.00 C ATOM 1559 OH TYR A 88 66.772 -11.005 4.223 1.00 0.00 O ATOM 1560 OXT TYR A 88 70.720 -11.048 7.960 1.00 0.00 O ATOM 0 H TYR A 88 72.007 -8.497 6.249 1.00 0.00 H new ATOM 0 HA TYR A 88 71.719 -8.239 9.002 1.00 0.00 H new ATOM 0 HB2 TYR A 88 69.497 -7.491 8.477 1.00 0.00 H new ATOM 0 HB3 TYR A 88 70.484 -7.035 7.103 1.00 0.00 H new ATOM 0 HD1 TYR A 88 70.586 -8.665 5.091 1.00 0.00 H new ATOM 0 HD2 TYR A 88 67.631 -8.946 8.198 1.00 0.00 H new ATOM 0 HE1 TYR A 88 69.145 -10.026 3.600 1.00 0.00 H new ATOM 0 HE2 TYR A 88 66.190 -10.302 6.704 1.00 0.00 H new ATOM 0 HH TYR A 88 65.946 -11.244 4.694 1.00 0.00 H new TER 1570 TYR A 88