USER MOD reduce.3.24.130724 H: found=0, std=0, add=534, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 143 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 68 HIS :FLIP no HD1:sc= -21.3! C(o=-43!,f=-34!) USER MOD Set 1.2: A 71 GLN :FLIP amide:sc= -13.1! C(o=-37!,f=-34!) USER MOD Set 2.1: A 24 TYR OH : rot -129:sc= -4.1! USER MOD Set 2.2: A 26 LYS NZ :NH3+ 157:sc= -0.997 (180deg=-2.11!) USER MOD Set 2.3: A 51 LYS NZ :NH3+ 152:sc= -7.36! (180deg=-8.79!) USER MOD Set 3.1: A 1 ILE N :NH3+ 143:sc= -0.32 (180deg=-0.553) USER MOD Set 3.2: A 15 THR OG1 : rot -85:sc= 1.59 USER MOD Set 4.1: A 5 THR OG1 : rot -79:sc= -8.36! USER MOD Set 4.2: A 64 LYS NZ :NH3+ -126:sc= 0.67! (180deg=0.595) USER MOD Single : A 4 HIS : no HE2:sc= -7.52! C(o=-7.5!,f=-7.1!) USER MOD Single : A 6 THR OG1 : rot 170:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 8:sc= 1.03 USER MOD Single : A 21 ASN :FLIP amide:sc= -0.124 F(o=-1,f=-0.12) USER MOD Single : A 27 MET CE :methyl -153:sc= -0.394 (180deg=-1.77!) USER MOD Single : A 34 SER OG : rot 31:sc= 0.535 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ -135:sc= -10.4! (180deg=-13.4!) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 TYR OH : rot 90:sc= -0.841 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0.843 USER MOD Single : A 61 SER OG : rot 59:sc= 0.0235 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 ASN :FLIP amide:sc= -15.3! C(o=-16!,f=-15!) USER MOD Single : A 70 LYS NZ :NH3+ -159:sc= -11.8! (180deg=-12.7!) USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 1 4.102 14.362 -2.991 1.00 0.00 N ATOM 2 CA ILE A 1 3.713 14.062 -4.390 1.00 0.00 C ATOM 3 C ILE A 1 4.451 12.816 -4.895 1.00 0.00 C ATOM 4 O ILE A 1 5.609 12.849 -5.290 1.00 0.00 O ATOM 5 CB ILE A 1 4.019 15.215 -5.360 1.00 0.00 C ATOM 6 CG1 ILE A 1 3.180 16.439 -4.983 1.00 0.00 C ATOM 7 CG2 ILE A 1 3.776 14.820 -6.836 1.00 0.00 C ATOM 8 CD1 ILE A 1 3.669 17.705 -5.695 1.00 0.00 C ATOM 0 H1 ILE A 1 4.155 15.392 -2.859 1.00 0.00 H new ATOM 0 H2 ILE A 1 3.393 13.966 -2.341 1.00 0.00 H new ATOM 0 H3 ILE A 1 5.031 13.939 -2.791 1.00 0.00 H new ATOM 0 HA ILE A 1 2.635 13.902 -4.371 1.00 0.00 H new ATOM 0 HB ILE A 1 5.078 15.456 -5.270 1.00 0.00 H new ATOM 0 HG12 ILE A 1 2.136 16.258 -5.240 1.00 0.00 H new ATOM 0 HG13 ILE A 1 3.221 16.590 -3.904 1.00 0.00 H new ATOM 0 HG21 ILE A 1 4.006 15.667 -7.482 1.00 0.00 H new ATOM 0 HG22 ILE A 1 4.418 13.979 -7.098 1.00 0.00 H new ATOM 0 HG23 ILE A 1 2.732 14.535 -6.969 1.00 0.00 H new ATOM 0 HD11 ILE A 1 3.048 18.551 -5.401 1.00 0.00 H new ATOM 0 HD12 ILE A 1 4.705 17.902 -5.417 1.00 0.00 H new ATOM 0 HD13 ILE A 1 3.603 17.564 -6.774 1.00 0.00 H new ATOM 12 N VAL A 2 3.764 11.700 -4.789 1.00 0.00 N ATOM 13 CA VAL A 2 4.289 10.415 -5.199 1.00 0.00 C ATOM 14 C VAL A 2 3.104 9.519 -5.540 1.00 0.00 C ATOM 15 O VAL A 2 2.446 9.802 -6.483 1.00 0.00 O ATOM 16 CB VAL A 2 5.060 9.753 -4.088 1.00 0.00 C ATOM 17 CG1 VAL A 2 5.627 8.568 -4.878 1.00 0.00 C ATOM 18 CG2 VAL A 2 5.800 10.676 -3.105 1.00 0.00 C ATOM 0 H VAL A 2 2.817 11.658 -4.413 1.00 0.00 H new ATOM 0 HA VAL A 2 4.957 10.564 -6.047 1.00 0.00 H new ATOM 0 HB VAL A 2 4.568 9.366 -3.196 1.00 0.00 H new ATOM 0 HG11 VAL A 2 6.236 7.950 -4.219 1.00 0.00 H new ATOM 0 HG12 VAL A 2 4.807 7.972 -5.279 1.00 0.00 H new ATOM 0 HG13 VAL A 2 6.241 8.938 -5.699 1.00 0.00 H new ATOM 0 HG21 VAL A 2 6.314 10.073 -2.356 1.00 0.00 H new ATOM 0 HG22 VAL A 2 6.529 11.277 -3.649 1.00 0.00 H new ATOM 0 HG23 VAL A 2 5.083 11.333 -2.612 1.00 0.00 H new ATOM 20 N CYS A 3 2.900 8.454 -4.762 1.00 0.00 N ATOM 21 CA CYS A 3 1.968 7.412 -5.045 1.00 0.00 C ATOM 22 C CYS A 3 0.630 8.043 -4.867 1.00 0.00 C ATOM 23 O CYS A 3 0.447 8.818 -3.955 1.00 0.00 O ATOM 24 CB CYS A 3 2.195 6.423 -3.955 1.00 0.00 C ATOM 25 SG CYS A 3 1.912 6.849 -2.211 1.00 0.00 S ATOM 0 H CYS A 3 3.409 8.308 -3.890 1.00 0.00 H new ATOM 0 HA CYS A 3 2.054 6.952 -6.030 1.00 0.00 H new ATOM 0 HB2 CYS A 3 1.568 5.559 -4.176 1.00 0.00 H new ATOM 0 HB3 CYS A 3 3.231 6.094 -4.037 1.00 0.00 H new ATOM 27 N HIS A 4 -0.284 7.587 -5.663 1.00 0.00 N ATOM 28 CA HIS A 4 -1.619 8.161 -5.671 1.00 0.00 C ATOM 29 C HIS A 4 -2.680 7.068 -5.536 1.00 0.00 C ATOM 30 O HIS A 4 -3.529 6.925 -6.379 1.00 0.00 O ATOM 31 CB HIS A 4 -1.837 8.980 -6.955 1.00 0.00 C ATOM 32 CG HIS A 4 -0.921 10.189 -7.096 1.00 0.00 C ATOM 33 ND1 HIS A 4 0.105 10.253 -7.927 1.00 0.00 N ATOM 34 CD2 HIS A 4 -1.007 11.373 -6.507 1.00 0.00 C ATOM 35 CE1 HIS A 4 0.641 11.466 -7.840 1.00 0.00 C ATOM 36 NE2 HIS A 4 -0.044 12.168 -6.948 1.00 0.00 N ATOM 0 H HIS A 4 -0.144 6.820 -6.321 1.00 0.00 H new ATOM 0 HA HIS A 4 -1.715 8.828 -4.815 1.00 0.00 H new ATOM 0 HB2 HIS A 4 -1.692 8.328 -7.816 1.00 0.00 H new ATOM 0 HB3 HIS A 4 -2.872 9.319 -6.983 1.00 0.00 H new ATOM 0 HD1 HIS A 4 0.430 9.499 -8.532 1.00 0.00 H new ATOM 0 HD2 HIS A 4 -1.752 11.649 -5.776 1.00 0.00 H new ATOM 0 HE1 HIS A 4 1.492 11.821 -8.402 1.00 0.00 H new ATOM 39 N THR A 5 -2.531 6.259 -4.461 1.00 0.00 N ATOM 40 CA THR A 5 -3.445 5.146 -4.185 1.00 0.00 C ATOM 41 C THR A 5 -3.771 5.047 -2.650 1.00 0.00 C ATOM 42 O THR A 5 -4.574 5.868 -2.251 1.00 0.00 O ATOM 43 CB THR A 5 -2.979 3.752 -4.420 1.00 0.00 C ATOM 44 OG1 THR A 5 -3.257 3.338 -5.699 1.00 0.00 O ATOM 45 CG2 THR A 5 -4.211 2.835 -4.269 1.00 0.00 C ATOM 0 H THR A 5 -1.783 6.363 -3.775 1.00 0.00 H new ATOM 0 HA THR A 5 -4.245 5.410 -4.877 1.00 0.00 H new ATOM 0 HB THR A 5 -2.010 3.722 -3.922 1.00 0.00 H new ATOM 0 HG1 THR A 5 -4.200 3.079 -5.761 1.00 0.00 H new ATOM 0 HG21 THR A 5 -3.916 1.799 -4.434 1.00 0.00 H new ATOM 0 HG22 THR A 5 -4.622 2.940 -3.265 1.00 0.00 H new ATOM 0 HG23 THR A 5 -4.967 3.118 -5.002 1.00 0.00 H new ATOM 48 N THR A 6 -3.271 4.005 -2.082 1.00 0.00 N ATOM 49 CA THR A 6 -3.717 3.664 -0.659 1.00 0.00 C ATOM 50 C THR A 6 -2.620 4.475 -0.010 1.00 0.00 C ATOM 51 O THR A 6 -2.307 5.592 -0.513 1.00 0.00 O ATOM 52 CB THR A 6 -3.728 2.156 -0.375 1.00 0.00 C ATOM 53 OG1 THR A 6 -4.383 1.247 -1.247 1.00 0.00 O ATOM 54 CG2 THR A 6 -3.957 1.723 1.074 1.00 0.00 C ATOM 0 H THR A 6 -2.590 3.371 -2.500 1.00 0.00 H new ATOM 0 HA THR A 6 -4.735 3.889 -0.341 1.00 0.00 H new ATOM 0 HB THR A 6 -2.674 2.052 -0.633 1.00 0.00 H new ATOM 0 HG1 THR A 6 -4.150 0.328 -0.997 1.00 0.00 H new ATOM 0 HG21 THR A 6 -3.941 0.635 1.135 1.00 0.00 H new ATOM 0 HG22 THR A 6 -3.169 2.134 1.705 1.00 0.00 H new ATOM 0 HG23 THR A 6 -4.924 2.092 1.415 1.00 0.00 H new ATOM 57 N ALA A 7 -2.257 4.100 1.183 1.00 0.00 N ATOM 58 CA ALA A 7 -1.365 4.829 2.107 1.00 0.00 C ATOM 59 C ALA A 7 -2.041 5.164 3.411 1.00 0.00 C ATOM 60 O ALA A 7 -2.360 6.327 3.589 1.00 0.00 O ATOM 61 CB ALA A 7 -0.679 6.106 1.522 1.00 0.00 C ATOM 0 H ALA A 7 -2.585 3.222 1.584 1.00 0.00 H new ATOM 0 HA ALA A 7 -0.561 4.114 2.283 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -0.048 6.562 2.285 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -0.068 5.829 0.663 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -1.443 6.819 1.210 1.00 0.00 H new ATOM 63 N THR A 8 -2.393 4.141 4.221 1.00 0.00 N ATOM 64 CA THR A 8 -3.197 4.390 5.444 1.00 0.00 C ATOM 65 C THR A 8 -4.666 4.482 5.036 1.00 0.00 C ATOM 66 O THR A 8 -5.206 5.579 4.985 1.00 0.00 O ATOM 67 CB THR A 8 -2.806 5.730 6.124 1.00 0.00 C ATOM 68 OG1 THR A 8 -1.458 5.644 6.538 1.00 0.00 O ATOM 69 CG2 THR A 8 -3.669 6.296 7.256 1.00 0.00 C ATOM 0 H THR A 8 -2.144 3.165 4.061 1.00 0.00 H new ATOM 0 HA THR A 8 -3.016 3.577 6.147 1.00 0.00 H new ATOM 0 HB THR A 8 -2.990 6.463 5.339 1.00 0.00 H new ATOM 0 HG1 THR A 8 -1.194 6.484 6.969 1.00 0.00 H new ATOM 0 HG21 THR A 8 -3.240 7.235 7.606 1.00 0.00 H new ATOM 0 HG22 THR A 8 -4.680 6.473 6.889 1.00 0.00 H new ATOM 0 HG23 THR A 8 -3.702 5.583 8.080 1.00 0.00 H new ATOM 72 N SER A 9 -5.207 3.336 4.549 1.00 0.00 N ATOM 73 CA SER A 9 -6.637 3.185 4.201 1.00 0.00 C ATOM 74 C SER A 9 -6.949 3.357 2.684 1.00 0.00 C ATOM 75 O SER A 9 -6.104 2.956 1.896 1.00 0.00 O ATOM 76 CB SER A 9 -7.458 4.138 5.078 1.00 0.00 C ATOM 77 OG SER A 9 -7.552 3.958 6.460 1.00 0.00 O ATOM 0 H SER A 9 -4.659 2.491 4.388 1.00 0.00 H new ATOM 0 HA SER A 9 -6.923 2.153 4.407 1.00 0.00 H new ATOM 0 HB2 SER A 9 -7.061 5.140 4.915 1.00 0.00 H new ATOM 0 HB3 SER A 9 -8.476 4.131 4.687 1.00 0.00 H new ATOM 0 HG SER A 9 -8.114 4.663 6.844 1.00 0.00 H new ATOM 80 N PRO A 10 -8.060 3.888 2.180 1.00 0.00 N ATOM 81 CA PRO A 10 -8.281 4.107 0.739 1.00 0.00 C ATOM 82 C PRO A 10 -7.459 5.272 0.181 1.00 0.00 C ATOM 83 O PRO A 10 -7.202 5.326 -1.016 1.00 0.00 O ATOM 84 CB PRO A 10 -9.785 4.371 0.644 1.00 0.00 C ATOM 85 CG PRO A 10 -10.139 5.090 1.937 1.00 0.00 C ATOM 86 CD PRO A 10 -9.355 4.186 2.845 1.00 0.00 C ATOM 0 HA PRO A 10 -7.959 3.255 0.141 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -10.025 4.982 -0.226 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -10.344 3.441 0.544 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -9.803 6.126 1.962 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -11.208 5.097 2.150 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -9.188 4.665 3.810 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -9.907 3.266 3.037 1.00 0.00 H new ATOM 87 N ILE A 11 -7.166 6.259 1.046 1.00 0.00 N ATOM 88 CA ILE A 11 -6.370 7.450 0.681 1.00 0.00 C ATOM 89 C ILE A 11 -7.139 8.125 -0.419 1.00 0.00 C ATOM 90 O ILE A 11 -8.374 7.891 -0.521 1.00 0.00 O ATOM 91 CB ILE A 11 -4.924 7.052 0.251 1.00 0.00 C ATOM 92 CG1 ILE A 11 -4.217 6.730 1.520 1.00 0.00 C ATOM 93 CG2 ILE A 11 -3.934 8.057 -0.345 1.00 0.00 C ATOM 94 CD1 ILE A 11 -4.726 5.443 2.111 1.00 0.00 C ATOM 0 H ILE A 11 -7.473 6.256 2.019 1.00 0.00 H new ATOM 0 HA ILE A 11 -6.233 8.127 1.524 1.00 0.00 H new ATOM 0 HB ILE A 11 -5.130 6.319 -0.529 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -3.146 6.650 1.333 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -4.356 7.542 2.234 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -2.993 7.553 -0.567 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -4.348 8.474 -1.263 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -3.756 8.860 0.370 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -4.192 5.232 3.038 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -5.792 5.535 2.319 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -4.563 4.629 1.405 1.00 0.00 H new ATOM 96 N SER A 12 -6.476 8.880 -1.214 1.00 0.00 N ATOM 97 CA SER A 12 -7.006 9.604 -2.363 1.00 0.00 C ATOM 98 C SER A 12 -5.898 10.249 -3.166 1.00 0.00 C ATOM 99 O SER A 12 -6.059 11.385 -3.558 1.00 0.00 O ATOM 100 CB SER A 12 -7.923 10.710 -1.826 1.00 0.00 C ATOM 101 OG SER A 12 -9.129 10.105 -1.392 1.00 0.00 O ATOM 0 H SER A 12 -5.475 9.035 -1.091 1.00 0.00 H new ATOM 0 HA SER A 12 -7.538 8.909 -3.012 1.00 0.00 H new ATOM 0 HB2 SER A 12 -7.443 11.237 -1.002 1.00 0.00 H new ATOM 0 HB3 SER A 12 -8.125 11.448 -2.602 1.00 0.00 H new ATOM 0 HG SER A 12 -9.035 9.130 -1.423 1.00 0.00 H new ATOM 104 N ALA A 13 -4.729 9.567 -3.246 1.00 0.00 N ATOM 105 CA ALA A 13 -3.584 10.073 -4.003 1.00 0.00 C ATOM 106 C ALA A 13 -2.544 10.571 -3.034 1.00 0.00 C ATOM 107 O ALA A 13 -1.405 10.327 -3.393 1.00 0.00 O ATOM 108 CB ALA A 13 -3.798 11.180 -5.047 1.00 0.00 C ATOM 0 H ALA A 13 -4.566 8.668 -2.793 1.00 0.00 H new ATOM 0 HA ALA A 13 -3.299 9.204 -4.596 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -2.844 11.432 -5.511 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -4.492 10.830 -5.811 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -4.210 12.064 -4.561 1.00 0.00 H new ATOM 110 N VAL A 14 -2.952 11.101 -1.881 1.00 0.00 N ATOM 111 CA VAL A 14 -2.105 11.594 -0.765 1.00 0.00 C ATOM 112 C VAL A 14 -0.676 11.661 -1.211 1.00 0.00 C ATOM 113 O VAL A 14 -0.345 12.765 -1.594 1.00 0.00 O ATOM 114 CB VAL A 14 -2.225 10.819 0.553 1.00 0.00 C ATOM 115 CG1 VAL A 14 -1.135 11.143 1.593 1.00 0.00 C ATOM 116 CG2 VAL A 14 -3.562 11.195 1.177 1.00 0.00 C ATOM 0 H VAL A 14 -3.945 11.210 -1.676 1.00 0.00 H new ATOM 0 HA VAL A 14 -2.487 12.587 -0.527 1.00 0.00 H new ATOM 0 HB VAL A 14 -2.123 9.762 0.306 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -1.301 10.548 2.491 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -0.155 10.908 1.178 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -1.177 12.202 1.846 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -3.686 10.663 2.120 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -3.589 12.269 1.360 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -4.370 10.923 0.498 1.00 0.00 H new ATOM 118 N THR A 15 -0.030 10.480 -1.174 1.00 0.00 N ATOM 119 CA THR A 15 1.304 10.212 -1.711 1.00 0.00 C ATOM 120 C THR A 15 2.203 10.006 -0.531 1.00 0.00 C ATOM 121 O THR A 15 3.375 10.374 -0.650 1.00 0.00 O ATOM 122 CB THR A 15 1.917 11.348 -2.537 1.00 0.00 C ATOM 123 OG1 THR A 15 2.173 12.470 -1.675 1.00 0.00 O ATOM 124 CG2 THR A 15 1.109 11.696 -3.791 1.00 0.00 C ATOM 0 H THR A 15 -0.449 9.653 -0.748 1.00 0.00 H new ATOM 0 HA THR A 15 1.208 9.357 -2.380 1.00 0.00 H new ATOM 0 HB THR A 15 2.870 11.009 -2.944 1.00 0.00 H new ATOM 0 HG1 THR A 15 1.361 13.012 -1.593 1.00 0.00 H new ATOM 0 HG21 THR A 15 1.601 12.508 -4.327 1.00 0.00 H new ATOM 0 HG22 THR A 15 1.045 10.821 -4.437 1.00 0.00 H new ATOM 0 HG23 THR A 15 0.105 12.008 -3.502 1.00 0.00 H new ATOM 127 N CYS A 16 1.632 9.539 0.580 1.00 0.00 N ATOM 128 CA CYS A 16 2.380 9.266 1.797 1.00 0.00 C ATOM 129 C CYS A 16 2.889 10.577 2.413 1.00 0.00 C ATOM 130 O CYS A 16 2.311 11.641 2.124 1.00 0.00 O ATOM 131 CB CYS A 16 3.464 8.332 1.245 1.00 0.00 C ATOM 132 SG CYS A 16 5.107 9.032 0.748 1.00 0.00 S ATOM 0 H CYS A 16 0.634 9.340 0.656 1.00 0.00 H new ATOM 0 HA CYS A 16 1.834 8.815 2.626 1.00 0.00 H new ATOM 0 HB2 CYS A 16 3.650 7.566 1.998 1.00 0.00 H new ATOM 0 HB3 CYS A 16 3.047 7.827 0.374 1.00 0.00 H new ATOM 134 N PRO A 17 3.947 10.513 3.232 1.00 0.00 N ATOM 135 CA PRO A 17 4.541 11.700 3.825 1.00 0.00 C ATOM 136 C PRO A 17 5.357 12.512 2.779 1.00 0.00 C ATOM 137 O PRO A 17 4.973 12.552 1.599 1.00 0.00 O ATOM 138 CB PRO A 17 5.238 10.983 5.003 1.00 0.00 C ATOM 139 CG PRO A 17 5.910 9.795 4.369 1.00 0.00 C ATOM 140 CD PRO A 17 4.566 9.324 3.886 1.00 0.00 C ATOM 0 HA PRO A 17 3.922 12.528 4.172 1.00 0.00 H new ATOM 0 HB2 PRO A 17 5.961 11.634 5.493 1.00 0.00 H new ATOM 0 HB3 PRO A 17 4.520 10.675 5.763 1.00 0.00 H new ATOM 0 HG2 PRO A 17 6.626 10.034 3.583 1.00 0.00 H new ATOM 0 HG3 PRO A 17 6.413 9.123 5.064 1.00 0.00 H new ATOM 0 HD2 PRO A 17 4.668 8.497 3.184 1.00 0.00 H new ATOM 0 HD3 PRO A 17 3.953 8.966 4.713 1.00 0.00 H new ATOM 141 N PRO A 18 6.422 13.221 3.198 1.00 0.00 N ATOM 142 CA PRO A 18 7.264 14.020 2.304 1.00 0.00 C ATOM 143 C PRO A 18 8.109 13.093 1.418 1.00 0.00 C ATOM 144 O PRO A 18 7.576 12.357 0.587 1.00 0.00 O ATOM 145 CB PRO A 18 8.063 14.904 3.282 1.00 0.00 C ATOM 146 CG PRO A 18 8.295 14.017 4.499 1.00 0.00 C ATOM 147 CD PRO A 18 6.911 13.423 4.585 1.00 0.00 C ATOM 0 HA PRO A 18 6.731 14.641 1.584 1.00 0.00 H new ATOM 0 HB2 PRO A 18 9.006 15.229 2.843 1.00 0.00 H new ATOM 0 HB3 PRO A 18 7.508 15.804 3.547 1.00 0.00 H new ATOM 0 HG2 PRO A 18 9.071 13.268 4.339 1.00 0.00 H new ATOM 0 HG3 PRO A 18 8.574 14.580 5.390 1.00 0.00 H new ATOM 0 HD2 PRO A 18 6.934 12.476 5.125 1.00 0.00 H new ATOM 0 HD3 PRO A 18 6.243 14.087 5.134 1.00 0.00 H new ATOM 148 N GLY A 19 9.426 13.139 1.633 1.00 0.00 N ATOM 149 CA GLY A 19 10.405 12.370 0.849 1.00 0.00 C ATOM 150 C GLY A 19 10.538 12.893 -0.584 1.00 0.00 C ATOM 151 O GLY A 19 11.629 12.808 -1.136 1.00 0.00 O ATOM 0 H GLY A 19 9.850 13.714 2.361 1.00 0.00 H new ATOM 0 HA2 GLY A 19 11.377 12.413 1.341 1.00 0.00 H new ATOM 0 HA3 GLY A 19 10.106 11.322 0.825 1.00 0.00 H new ATOM 153 N GLU A 20 9.481 13.540 -1.092 1.00 0.00 N ATOM 154 CA GLU A 20 9.421 14.105 -2.450 1.00 0.00 C ATOM 155 C GLU A 20 9.584 12.994 -3.477 1.00 0.00 C ATOM 156 O GLU A 20 10.671 12.753 -3.959 1.00 0.00 O ATOM 157 CB GLU A 20 10.576 15.098 -2.653 1.00 0.00 C ATOM 158 CG GLU A 20 10.413 16.319 -1.768 1.00 0.00 C ATOM 159 CD GLU A 20 9.300 17.149 -2.389 1.00 0.00 C ATOM 160 OE1 GLU A 20 8.129 16.901 -2.023 1.00 0.00 O ATOM 161 OE2 GLU A 20 9.656 17.983 -3.246 1.00 0.00 O ATOM 0 H GLU A 20 8.624 13.689 -0.560 1.00 0.00 H new ATOM 0 HA GLU A 20 8.460 14.605 -2.573 1.00 0.00 H new ATOM 0 HB2 GLU A 20 11.524 14.608 -2.430 1.00 0.00 H new ATOM 0 HB3 GLU A 20 10.615 15.406 -3.698 1.00 0.00 H new ATOM 0 HG2 GLU A 20 10.160 16.029 -0.748 1.00 0.00 H new ATOM 0 HG3 GLU A 20 11.341 16.889 -1.716 1.00 0.00 H new ATOM 163 N ASN A 21 8.463 12.295 -3.732 1.00 0.00 N ATOM 164 CA ASN A 21 8.453 11.159 -4.665 1.00 0.00 C ATOM 165 C ASN A 21 8.675 9.876 -3.876 1.00 0.00 C ATOM 166 O ASN A 21 9.106 9.932 -2.705 1.00 0.00 O ATOM 167 CB ASN A 21 9.381 11.231 -5.892 1.00 0.00 C ATOM 168 CG ASN A 21 9.025 12.430 -6.744 1.00 0.00 C ATOM 169 OD1 ASN A 21 7.769 12.467 -7.115 1.00 0.00 O flip ATOM 170 ND2 ASN A 21 9.849 13.256 -7.108 1.00 0.00 N flip ATOM 0 H ASN A 21 7.558 12.497 -3.307 1.00 0.00 H new ATOM 0 HA ASN A 21 7.468 11.189 -5.130 1.00 0.00 H new ATOM 0 HB2 ASN A 21 10.420 11.301 -5.569 1.00 0.00 H new ATOM 0 HB3 ASN A 21 9.291 10.318 -6.480 1.00 0.00 H new ATOM 0 HD21 ASN A 21 10.816 13.185 -6.792 1.00 0.00 H new ATOM 0 HD22 ASN A 21 9.569 14.016 -7.728 1.00 0.00 H new ATOM 174 N LEU A 22 8.262 8.765 -4.429 1.00 0.00 N ATOM 175 CA LEU A 22 8.304 7.416 -3.797 1.00 0.00 C ATOM 176 C LEU A 22 7.237 7.193 -2.723 1.00 0.00 C ATOM 177 O LEU A 22 6.693 8.127 -2.105 1.00 0.00 O ATOM 178 CB LEU A 22 9.661 7.186 -3.139 1.00 0.00 C ATOM 179 CG LEU A 22 10.836 7.317 -4.121 1.00 0.00 C ATOM 180 CD1 LEU A 22 11.107 8.550 -4.999 1.00 0.00 C ATOM 181 CD2 LEU A 22 12.135 7.009 -3.434 1.00 0.00 C ATOM 0 H LEU A 22 7.867 8.745 -5.369 1.00 0.00 H new ATOM 0 HA LEU A 22 8.116 6.717 -4.612 1.00 0.00 H new ATOM 0 HB2 LEU A 22 9.791 7.903 -2.328 1.00 0.00 H new ATOM 0 HB3 LEU A 22 9.678 6.192 -2.692 1.00 0.00 H new ATOM 0 HG LEU A 22 10.451 6.606 -4.852 1.00 0.00 H new ATOM 0 HD11 LEU A 22 12.001 8.380 -5.600 1.00 0.00 H new ATOM 0 HD12 LEU A 22 10.255 8.723 -5.657 1.00 0.00 H new ATOM 0 HD13 LEU A 22 11.258 9.423 -4.364 1.00 0.00 H new ATOM 0 HD21 LEU A 22 12.955 7.107 -4.145 1.00 0.00 H new ATOM 0 HD22 LEU A 22 12.285 7.706 -2.609 1.00 0.00 H new ATOM 0 HD23 LEU A 22 12.110 5.990 -3.048 1.00 0.00 H new ATOM 183 N CYS A 23 6.846 5.959 -2.566 1.00 0.00 N ATOM 184 CA CYS A 23 5.810 5.579 -1.610 1.00 0.00 C ATOM 185 C CYS A 23 5.902 4.117 -1.282 1.00 0.00 C ATOM 186 O CYS A 23 5.552 3.263 -2.104 1.00 0.00 O ATOM 187 CB CYS A 23 4.424 5.797 -2.155 1.00 0.00 C ATOM 188 SG CYS A 23 3.819 7.506 -2.093 1.00 0.00 S ATOM 0 H CYS A 23 7.231 5.175 -3.094 1.00 0.00 H new ATOM 0 HA CYS A 23 5.975 6.204 -0.732 1.00 0.00 H new ATOM 0 HB2 CYS A 23 4.403 5.460 -3.191 1.00 0.00 H new ATOM 0 HB3 CYS A 23 3.731 5.165 -1.600 1.00 0.00 H new ATOM 190 N TYR A 24 6.420 3.853 -0.097 1.00 0.00 N ATOM 191 CA TYR A 24 6.617 2.471 0.345 1.00 0.00 C ATOM 192 C TYR A 24 5.300 1.645 0.147 1.00 0.00 C ATOM 193 O TYR A 24 4.198 2.025 0.423 1.00 0.00 O ATOM 194 CB TYR A 24 7.182 2.491 1.777 1.00 0.00 C ATOM 195 CG TYR A 24 6.230 2.167 2.919 1.00 0.00 C ATOM 196 CD1 TYR A 24 4.894 2.367 2.798 1.00 0.00 C ATOM 197 CD2 TYR A 24 6.616 1.425 4.012 1.00 0.00 C ATOM 198 CE1 TYR A 24 3.888 1.777 3.508 1.00 0.00 C ATOM 199 CE2 TYR A 24 5.624 0.943 4.833 1.00 0.00 C ATOM 200 CZ TYR A 24 4.277 1.044 4.586 1.00 0.00 C ATOM 201 OH TYR A 24 3.334 0.615 5.431 1.00 0.00 O ATOM 0 H TYR A 24 6.711 4.563 0.575 1.00 0.00 H new ATOM 0 HA TYR A 24 7.355 1.949 -0.264 1.00 0.00 H new ATOM 0 HB2 TYR A 24 8.010 1.784 1.820 1.00 0.00 H new ATOM 0 HB3 TYR A 24 7.599 3.482 1.959 1.00 0.00 H new ATOM 0 HD1 TYR A 24 4.588 3.081 2.048 1.00 0.00 H new ATOM 0 HD2 TYR A 24 7.658 1.229 4.217 1.00 0.00 H new ATOM 0 HE1 TYR A 24 2.850 1.885 3.231 1.00 0.00 H new ATOM 0 HE2 TYR A 24 5.928 0.446 5.743 1.00 0.00 H new ATOM 0 HH TYR A 24 3.582 0.856 6.348 1.00 0.00 H new ATOM 208 N ARG A 25 5.393 0.593 -0.635 1.00 0.00 N ATOM 209 CA ARG A 25 4.162 -0.192 -0.709 1.00 0.00 C ATOM 210 C ARG A 25 4.324 -1.499 0.042 1.00 0.00 C ATOM 211 O ARG A 25 5.333 -2.158 -0.104 1.00 0.00 O ATOM 212 CB ARG A 25 3.604 -0.210 -2.122 1.00 0.00 C ATOM 213 CG ARG A 25 2.493 -1.256 -2.232 1.00 0.00 C ATOM 214 CD ARG A 25 2.068 -1.430 -3.673 1.00 0.00 C ATOM 215 NE ARG A 25 2.731 -2.593 -4.237 1.00 0.00 N ATOM 216 CZ ARG A 25 2.306 -3.828 -4.036 1.00 0.00 C ATOM 217 NH1 ARG A 25 1.229 -4.073 -3.300 1.00 0.00 N ATOM 218 NH2 ARG A 25 2.992 -4.825 -4.558 1.00 0.00 N ATOM 0 H ARG A 25 6.200 0.278 -1.174 1.00 0.00 H new ATOM 0 HA ARG A 25 3.343 0.282 -0.168 1.00 0.00 H new ATOM 0 HB2 ARG A 25 3.215 0.775 -2.381 1.00 0.00 H new ATOM 0 HB3 ARG A 25 4.399 -0.435 -2.833 1.00 0.00 H new ATOM 0 HG2 ARG A 25 2.842 -2.208 -1.832 1.00 0.00 H new ATOM 0 HG3 ARG A 25 1.638 -0.951 -1.629 1.00 0.00 H new ATOM 0 HD2 ARG A 25 0.986 -1.551 -3.732 1.00 0.00 H new ATOM 0 HD3 ARG A 25 2.321 -0.539 -4.248 1.00 0.00 H new ATOM 0 HE ARG A 25 3.561 -2.450 -4.813 1.00 0.00 H new ATOM 0 HH11 ARG A 25 0.713 -3.301 -2.878 1.00 0.00 H new ATOM 0 HH12 ARG A 25 0.917 -5.033 -3.157 1.00 0.00 H new ATOM 0 HH21 ARG A 25 3.832 -4.635 -5.104 1.00 0.00 H new ATOM 0 HH22 ARG A 25 2.683 -5.786 -4.416 1.00 0.00 H new ATOM 225 N LYS A 26 3.436 -1.692 1.003 1.00 0.00 N ATOM 226 CA LYS A 26 3.485 -2.948 1.754 1.00 0.00 C ATOM 227 C LYS A 26 2.065 -3.405 2.017 1.00 0.00 C ATOM 228 O LYS A 26 1.240 -2.519 2.153 1.00 0.00 O ATOM 229 CB LYS A 26 4.220 -2.719 3.065 1.00 0.00 C ATOM 230 CG LYS A 26 4.396 -4.119 3.643 1.00 0.00 C ATOM 231 CD LYS A 26 5.133 -4.145 4.947 1.00 0.00 C ATOM 232 CE LYS A 26 5.491 -5.378 5.747 1.00 0.00 C ATOM 233 NZ LYS A 26 6.014 -4.965 7.064 1.00 0.00 N ATOM 0 H LYS A 26 2.705 -1.036 1.277 1.00 0.00 H new ATOM 0 HA LYS A 26 4.014 -3.714 1.187 1.00 0.00 H new ATOM 0 HB2 LYS A 26 5.181 -2.231 2.903 1.00 0.00 H new ATOM 0 HB3 LYS A 26 3.647 -2.080 3.737 1.00 0.00 H new ATOM 0 HG2 LYS A 26 3.414 -4.571 3.782 1.00 0.00 H new ATOM 0 HG3 LYS A 26 4.931 -4.736 2.921 1.00 0.00 H new ATOM 0 HD2 LYS A 26 6.077 -3.632 4.761 1.00 0.00 H new ATOM 0 HD3 LYS A 26 4.555 -3.514 5.623 1.00 0.00 H new ATOM 0 HE2 LYS A 26 4.613 -6.012 5.873 1.00 0.00 H new ATOM 0 HE3 LYS A 26 6.237 -5.968 5.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 5.897 -5.744 7.744 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 7.023 -4.729 6.978 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 5.491 -4.131 7.400 1.00 0.00 H new ATOM 238 N MET A 27 1.878 -4.697 2.275 1.00 0.00 N ATOM 239 CA MET A 27 0.598 -5.371 2.558 1.00 0.00 C ATOM 240 C MET A 27 -0.208 -5.549 1.299 1.00 0.00 C ATOM 241 O MET A 27 0.203 -5.056 0.255 1.00 0.00 O ATOM 242 CB MET A 27 -0.237 -4.595 3.549 1.00 0.00 C ATOM 243 CG MET A 27 0.565 -4.599 4.820 1.00 0.00 C ATOM 244 SD MET A 27 0.429 -6.105 5.811 1.00 0.00 S ATOM 245 CE MET A 27 -1.324 -6.006 6.095 1.00 0.00 C ATOM 0 H MET A 27 2.662 -5.349 2.295 1.00 0.00 H new ATOM 0 HA MET A 27 0.849 -6.343 2.982 1.00 0.00 H new ATOM 0 HB2 MET A 27 -0.420 -3.578 3.201 1.00 0.00 H new ATOM 0 HB3 MET A 27 -1.211 -5.062 3.695 1.00 0.00 H new ATOM 0 HG2 MET A 27 1.614 -4.442 4.569 1.00 0.00 H new ATOM 0 HG3 MET A 27 0.253 -3.752 5.431 1.00 0.00 H new ATOM 0 HE1 MET A 27 -1.570 -6.511 7.029 1.00 0.00 H new ATOM 0 HE2 MET A 27 -1.624 -4.960 6.158 1.00 0.00 H new ATOM 0 HE3 MET A 27 -1.854 -6.486 5.272 1.00 0.00 H new ATOM 247 N TRP A 28 -1.301 -6.296 1.452 1.00 0.00 N ATOM 248 CA TRP A 28 -2.187 -6.672 0.335 1.00 0.00 C ATOM 249 C TRP A 28 -3.079 -7.854 0.691 1.00 0.00 C ATOM 250 O TRP A 28 -4.274 -7.861 0.469 1.00 0.00 O ATOM 251 CB TRP A 28 -1.378 -6.991 -0.927 1.00 0.00 C ATOM 252 CG TRP A 28 -2.199 -7.335 -2.146 1.00 0.00 C ATOM 253 CD1 TRP A 28 -2.825 -6.510 -2.969 1.00 0.00 C ATOM 254 CD2 TRP A 28 -2.397 -8.629 -2.584 1.00 0.00 C ATOM 255 NE1 TRP A 28 -3.410 -7.262 -3.940 1.00 0.00 N ATOM 256 CE2 TRP A 28 -3.154 -8.527 -3.695 1.00 0.00 C ATOM 257 CE3 TRP A 28 -1.991 -9.852 -2.058 1.00 0.00 C ATOM 258 CZ2 TRP A 28 -3.572 -9.702 -4.373 1.00 0.00 C ATOM 259 CZ3 TRP A 28 -2.355 -11.007 -2.758 1.00 0.00 C ATOM 260 CH2 TRP A 28 -3.125 -10.924 -3.889 1.00 0.00 C ATOM 0 H TRP A 28 -1.604 -6.662 2.355 1.00 0.00 H new ATOM 0 HA TRP A 28 -2.827 -5.812 0.137 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -0.749 -6.133 -1.163 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -0.711 -7.825 -0.711 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -2.865 -5.434 -2.885 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -3.955 -6.904 -4.725 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -1.417 -9.907 -1.145 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -4.217 -9.647 -5.238 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -2.026 -11.973 -2.404 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -3.390 -11.829 -4.415 1.00 0.00 H new ATOM 268 N CYS A 29 -2.457 -8.756 1.426 1.00 0.00 N ATOM 269 CA CYS A 29 -3.096 -10.011 1.788 1.00 0.00 C ATOM 270 C CYS A 29 -3.073 -10.059 3.304 1.00 0.00 C ATOM 271 O CYS A 29 -2.422 -10.965 3.822 1.00 0.00 O ATOM 272 CB CYS A 29 -2.346 -11.203 1.163 1.00 0.00 C ATOM 273 SG CYS A 29 -3.292 -12.696 1.552 1.00 0.00 S ATOM 0 H CYS A 29 -1.509 -8.645 1.785 1.00 0.00 H new ATOM 0 HA CYS A 29 -4.118 -10.074 1.414 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -2.254 -11.076 0.084 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -1.335 -11.273 1.563 1.00 0.00 H new ATOM 275 N ASP A 30 -3.654 -9.041 3.945 1.00 0.00 N ATOM 276 CA ASP A 30 -3.792 -8.936 5.416 1.00 0.00 C ATOM 277 C ASP A 30 -2.776 -9.802 6.171 1.00 0.00 C ATOM 278 O ASP A 30 -1.645 -9.368 6.405 1.00 0.00 O ATOM 279 CB ASP A 30 -5.208 -9.363 5.822 1.00 0.00 C ATOM 280 CG ASP A 30 -6.210 -8.319 5.409 1.00 0.00 C ATOM 281 OD1 ASP A 30 -6.077 -7.300 6.077 1.00 0.00 O ATOM 282 OD2 ASP A 30 -7.066 -8.576 4.539 1.00 0.00 O ATOM 0 H ASP A 30 -4.054 -8.243 3.451 1.00 0.00 H new ATOM 0 HA ASP A 30 -3.601 -7.897 5.684 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -5.455 -10.317 5.356 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -5.254 -9.514 6.901 1.00 0.00 H new ATOM 284 N ALA A 31 -3.149 -11.062 6.308 1.00 0.00 N ATOM 285 CA ALA A 31 -2.288 -12.157 6.786 1.00 0.00 C ATOM 286 C ALA A 31 -3.022 -13.495 6.759 1.00 0.00 C ATOM 287 O ALA A 31 -2.491 -14.523 7.178 1.00 0.00 O ATOM 288 CB ALA A 31 -1.952 -11.844 8.236 1.00 0.00 C ATOM 0 H ALA A 31 -4.094 -11.374 6.084 1.00 0.00 H new ATOM 0 HA ALA A 31 -1.407 -12.233 6.149 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -1.312 -12.629 8.639 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -1.431 -10.888 8.291 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -2.871 -11.790 8.819 1.00 0.00 H new ATOM 290 N PHE A 32 -4.283 -13.443 6.351 1.00 0.00 N ATOM 291 CA PHE A 32 -5.134 -14.626 6.326 1.00 0.00 C ATOM 292 C PHE A 32 -5.366 -15.129 4.916 1.00 0.00 C ATOM 293 O PHE A 32 -5.973 -16.192 4.801 1.00 0.00 O ATOM 294 CB PHE A 32 -6.458 -14.330 7.023 1.00 0.00 C ATOM 295 CG PHE A 32 -6.204 -14.248 8.523 1.00 0.00 C ATOM 296 CD1 PHE A 32 -6.045 -15.420 9.252 1.00 0.00 C ATOM 297 CD2 PHE A 32 -6.126 -13.010 9.143 1.00 0.00 C ATOM 298 CE1 PHE A 32 -5.802 -15.350 10.616 1.00 0.00 C ATOM 299 CE2 PHE A 32 -5.890 -12.943 10.508 1.00 0.00 C ATOM 300 CZ PHE A 32 -5.727 -14.111 11.244 1.00 0.00 C ATOM 0 H PHE A 32 -4.741 -12.590 6.031 1.00 0.00 H new ATOM 0 HA PHE A 32 -4.618 -15.421 6.865 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -6.878 -13.393 6.658 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -7.185 -15.112 6.804 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -6.110 -16.379 8.760 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -6.248 -12.105 8.567 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -5.671 -16.256 11.189 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -5.833 -11.983 10.999 1.00 0.00 H new ATOM 0 HZ PHE A 32 -5.542 -14.056 12.307 1.00 0.00 H new ATOM 307 N CYS A 33 -4.983 -14.319 3.917 1.00 0.00 N ATOM 308 CA CYS A 33 -5.168 -14.656 2.487 1.00 0.00 C ATOM 309 C CYS A 33 -6.497 -15.379 2.271 1.00 0.00 C ATOM 310 O CYS A 33 -6.554 -16.429 1.620 1.00 0.00 O ATOM 311 CB CYS A 33 -3.962 -15.453 1.937 1.00 0.00 C ATOM 312 SG CYS A 33 -2.397 -14.518 1.715 1.00 0.00 S ATOM 0 H CYS A 33 -4.538 -13.414 4.071 1.00 0.00 H new ATOM 0 HA CYS A 33 -5.211 -13.729 1.916 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -3.768 -16.288 2.611 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -4.245 -15.879 0.974 1.00 0.00 H new ATOM 314 N SER A 34 -7.493 -14.931 3.017 1.00 0.00 N ATOM 315 CA SER A 34 -8.781 -15.635 3.082 1.00 0.00 C ATOM 316 C SER A 34 -9.698 -15.071 2.013 1.00 0.00 C ATOM 317 O SER A 34 -10.907 -15.060 2.227 1.00 0.00 O ATOM 318 CB SER A 34 -9.443 -15.472 4.456 1.00 0.00 C ATOM 319 OG SER A 34 -8.762 -16.255 5.431 1.00 0.00 O ATOM 0 H SER A 34 -7.444 -14.087 3.587 1.00 0.00 H new ATOM 0 HA SER A 34 -8.604 -16.698 2.919 1.00 0.00 H new ATOM 0 HB2 SER A 34 -9.431 -14.423 4.750 1.00 0.00 H new ATOM 0 HB3 SER A 34 -10.488 -15.776 4.402 1.00 0.00 H new ATOM 0 HG SER A 34 -7.813 -16.319 5.194 1.00 0.00 H new ATOM 322 N SER A 35 -9.079 -14.604 0.918 1.00 0.00 N ATOM 323 CA SER A 35 -9.737 -13.947 -0.230 1.00 0.00 C ATOM 324 C SER A 35 -9.692 -12.428 -0.062 1.00 0.00 C ATOM 325 O SER A 35 -9.052 -11.896 0.848 1.00 0.00 O ATOM 326 CB SER A 35 -11.189 -14.404 -0.461 1.00 0.00 C ATOM 327 OG SER A 35 -11.199 -15.816 -0.658 1.00 0.00 O ATOM 0 H SER A 35 -8.068 -14.675 0.800 1.00 0.00 H new ATOM 0 HA SER A 35 -9.175 -14.249 -1.114 1.00 0.00 H new ATOM 0 HB2 SER A 35 -11.809 -14.138 0.395 1.00 0.00 H new ATOM 0 HB3 SER A 35 -11.610 -13.898 -1.330 1.00 0.00 H new ATOM 0 HG SER A 35 -12.119 -16.119 -0.805 1.00 0.00 H new ATOM 330 N ARG A 36 -10.429 -11.757 -0.951 1.00 0.00 N ATOM 331 CA ARG A 36 -10.539 -10.287 -0.971 1.00 0.00 C ATOM 332 C ARG A 36 -9.132 -9.680 -1.131 1.00 0.00 C ATOM 333 O ARG A 36 -8.318 -10.178 -1.911 1.00 0.00 O ATOM 334 CB ARG A 36 -11.220 -9.852 0.338 1.00 0.00 C ATOM 335 CG ARG A 36 -12.573 -10.518 0.560 1.00 0.00 C ATOM 336 CD ARG A 36 -13.001 -10.307 2.011 1.00 0.00 C ATOM 337 NE ARG A 36 -13.184 -8.884 2.364 1.00 0.00 N ATOM 338 CZ ARG A 36 -14.302 -8.175 2.194 1.00 0.00 C ATOM 339 NH1 ARG A 36 -15.374 -8.707 1.615 1.00 0.00 N ATOM 340 NH2 ARG A 36 -14.288 -6.870 2.436 1.00 0.00 N ATOM 0 H ARG A 36 -10.971 -12.216 -1.683 1.00 0.00 H new ATOM 0 HA ARG A 36 -11.140 -9.934 -1.809 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -10.565 -10.087 1.177 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -11.352 -8.770 0.330 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -13.316 -10.095 -0.117 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -12.509 -11.583 0.338 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -13.934 -10.841 2.189 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -12.252 -10.745 2.671 1.00 0.00 H new ATOM 0 HE ARG A 36 -12.385 -8.400 2.774 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -15.352 -9.674 1.291 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -16.219 -8.148 1.495 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -13.428 -6.418 2.749 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -15.137 -6.319 2.309 1.00 0.00 H new ATOM 347 N GLY A 37 -8.836 -8.716 -0.262 1.00 0.00 N ATOM 348 CA GLY A 37 -7.529 -8.061 -0.175 1.00 0.00 C ATOM 349 C GLY A 37 -7.819 -6.613 -0.468 1.00 0.00 C ATOM 350 O GLY A 37 -8.109 -6.411 -1.632 1.00 0.00 O ATOM 0 H GLY A 37 -9.510 -8.360 0.416 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -7.086 -8.186 0.813 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -6.826 -8.479 -0.895 1.00 0.00 H new ATOM 352 N LYS A 38 -8.102 -5.908 0.672 1.00 0.00 N ATOM 353 CA LYS A 38 -8.344 -4.465 0.855 1.00 0.00 C ATOM 354 C LYS A 38 -7.596 -3.757 1.992 1.00 0.00 C ATOM 355 O LYS A 38 -7.793 -2.591 2.336 1.00 0.00 O ATOM 356 CB LYS A 38 -9.825 -4.095 0.758 1.00 0.00 C ATOM 357 CG LYS A 38 -9.977 -2.610 0.436 1.00 0.00 C ATOM 358 CD LYS A 38 -11.440 -2.257 0.469 1.00 0.00 C ATOM 359 CE LYS A 38 -11.485 -0.745 0.443 1.00 0.00 C ATOM 360 NZ LYS A 38 -12.858 -0.297 0.379 1.00 0.00 N ATOM 0 H LYS A 38 -8.170 -6.397 1.565 1.00 0.00 H new ATOM 0 HA LYS A 38 -7.847 -4.033 -0.014 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -10.307 -4.693 -0.015 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -10.327 -4.324 1.698 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -9.427 -2.008 1.159 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -9.557 -2.391 -0.546 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -11.967 -2.681 -0.386 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -11.920 -2.650 1.366 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -11.003 -0.342 1.334 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -10.930 -0.370 -0.417 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -12.944 0.458 -0.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -13.471 -1.094 0.113 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -13.148 0.067 1.309 1.00 0.00 H new ATOM 365 N VAL A 39 -6.700 -4.531 2.567 1.00 0.00 N ATOM 366 CA VAL A 39 -5.966 -4.058 3.742 1.00 0.00 C ATOM 367 C VAL A 39 -4.471 -4.112 3.454 1.00 0.00 C ATOM 368 O VAL A 39 -3.748 -5.044 3.797 1.00 0.00 O ATOM 369 CB VAL A 39 -6.356 -4.882 4.966 1.00 0.00 C ATOM 370 CG1 VAL A 39 -5.504 -4.511 6.189 1.00 0.00 C ATOM 371 CG2 VAL A 39 -7.843 -4.773 5.326 1.00 0.00 C ATOM 0 H VAL A 39 -6.459 -5.472 2.256 1.00 0.00 H new ATOM 0 HA VAL A 39 -6.225 -3.022 3.961 1.00 0.00 H new ATOM 0 HB VAL A 39 -6.162 -5.918 4.688 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -5.809 -5.117 7.042 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -4.452 -4.696 5.970 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -5.645 -3.456 6.424 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -8.050 -5.383 6.205 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -8.090 -3.733 5.540 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -8.447 -5.125 4.489 1.00 0.00 H new ATOM 373 N VAL A 40 -4.066 -3.027 2.816 1.00 0.00 N ATOM 374 CA VAL A 40 -2.654 -2.846 2.510 1.00 0.00 C ATOM 375 C VAL A 40 -2.091 -1.792 3.484 1.00 0.00 C ATOM 376 O VAL A 40 -2.742 -1.387 4.457 1.00 0.00 O ATOM 377 CB VAL A 40 -2.487 -2.533 1.006 1.00 0.00 C ATOM 378 CG1 VAL A 40 -1.057 -2.617 0.531 1.00 0.00 C ATOM 379 CG2 VAL A 40 -3.014 -3.615 0.091 1.00 0.00 C ATOM 0 H VAL A 40 -4.678 -2.272 2.505 1.00 0.00 H new ATOM 0 HA VAL A 40 -2.065 -3.750 2.666 1.00 0.00 H new ATOM 0 HB VAL A 40 -2.977 -1.561 0.953 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -1.013 -2.386 -0.533 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.448 -1.902 1.083 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -0.676 -3.624 0.699 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -2.860 -3.321 -0.947 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -2.484 -4.547 0.286 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -4.079 -3.759 0.273 1.00 0.00 H new ATOM 381 N GLU A 41 -0.886 -1.372 3.218 1.00 0.00 N ATOM 382 CA GLU A 41 -0.110 -0.396 3.998 1.00 0.00 C ATOM 383 C GLU A 41 0.483 0.686 3.148 1.00 0.00 C ATOM 384 O GLU A 41 0.209 1.824 3.507 1.00 0.00 O ATOM 385 CB GLU A 41 1.077 -1.001 4.698 1.00 0.00 C ATOM 386 CG GLU A 41 0.625 -1.782 5.900 1.00 0.00 C ATOM 387 CD GLU A 41 -0.075 -1.028 6.988 1.00 0.00 C ATOM 388 OE1 GLU A 41 -1.304 -0.840 6.875 1.00 0.00 O ATOM 389 OE2 GLU A 41 0.692 -0.750 7.927 1.00 0.00 O ATOM 0 H GLU A 41 -0.371 -1.711 2.405 1.00 0.00 H new ATOM 0 HA GLU A 41 -0.845 -0.012 4.706 1.00 0.00 H new ATOM 0 HB2 GLU A 41 1.619 -1.653 4.013 1.00 0.00 H new ATOM 0 HB3 GLU A 41 1.768 -0.215 5.004 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -0.041 -2.574 5.556 1.00 0.00 H new ATOM 0 HG3 GLU A 41 1.499 -2.267 6.335 1.00 0.00 H new ATOM 391 N LEU A 42 1.174 0.306 2.063 1.00 0.00 N ATOM 392 CA LEU A 42 1.585 1.242 1.000 1.00 0.00 C ATOM 393 C LEU A 42 1.198 2.701 1.201 1.00 0.00 C ATOM 394 O LEU A 42 0.179 3.197 0.820 1.00 0.00 O ATOM 395 CB LEU A 42 1.039 0.733 -0.310 1.00 0.00 C ATOM 396 CG LEU A 42 -0.419 0.498 -0.605 1.00 0.00 C ATOM 397 CD1 LEU A 42 -1.234 0.437 0.632 1.00 0.00 C ATOM 398 CD2 LEU A 42 -0.916 1.780 -1.101 1.00 0.00 C ATOM 0 H LEU A 42 1.465 -0.657 1.896 1.00 0.00 H new ATOM 0 HA LEU A 42 2.675 1.259 1.020 1.00 0.00 H new ATOM 0 HB2 LEU A 42 1.390 1.429 -1.071 1.00 0.00 H new ATOM 0 HB3 LEU A 42 1.539 -0.218 -0.493 1.00 0.00 H new ATOM 0 HG LEU A 42 -0.490 -0.395 -1.227 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -2.279 0.266 0.371 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -0.879 -0.379 1.262 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -1.144 1.379 1.174 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -1.976 1.692 -1.339 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -0.779 2.544 -0.336 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -0.365 2.062 -1.998 1.00 0.00 H new ATOM 400 N GLY A 43 1.952 3.312 2.047 1.00 0.00 N ATOM 401 CA GLY A 43 1.619 4.490 2.831 1.00 0.00 C ATOM 402 C GLY A 43 2.645 5.565 2.692 1.00 0.00 C ATOM 403 O GLY A 43 2.455 6.636 3.244 1.00 0.00 O ATOM 0 H GLY A 43 2.900 2.987 2.237 1.00 0.00 H new ATOM 0 HA2 GLY A 43 0.648 4.873 2.515 1.00 0.00 H new ATOM 0 HA3 GLY A 43 1.526 4.212 3.881 1.00 0.00 H new ATOM 405 N CYS A 44 3.794 5.015 2.327 1.00 0.00 N ATOM 406 CA CYS A 44 5.133 5.517 2.552 1.00 0.00 C ATOM 407 C CYS A 44 5.233 6.026 3.971 1.00 0.00 C ATOM 408 O CYS A 44 4.316 5.984 4.786 1.00 0.00 O ATOM 409 CB CYS A 44 5.457 6.442 1.412 1.00 0.00 C ATOM 410 SG CYS A 44 6.580 7.859 1.513 1.00 0.00 S ATOM 0 H CYS A 44 3.809 4.129 1.822 1.00 0.00 H new ATOM 0 HA CYS A 44 5.926 4.770 2.521 1.00 0.00 H new ATOM 0 HB2 CYS A 44 5.844 5.809 0.613 1.00 0.00 H new ATOM 0 HB3 CYS A 44 4.502 6.840 1.069 1.00 0.00 H new ATOM 412 N ALA A 45 6.474 6.240 4.311 1.00 0.00 N ATOM 413 CA ALA A 45 6.778 6.573 5.700 1.00 0.00 C ATOM 414 C ALA A 45 8.172 7.174 5.789 1.00 0.00 C ATOM 415 O ALA A 45 8.887 6.824 6.719 1.00 0.00 O ATOM 416 CB ALA A 45 6.640 5.305 6.569 1.00 0.00 C ATOM 0 H ALA A 45 7.275 6.196 3.681 1.00 0.00 H new ATOM 0 HA ALA A 45 6.074 7.317 6.074 1.00 0.00 H new ATOM 0 HB1 ALA A 45 6.866 5.549 7.607 1.00 0.00 H new ATOM 0 HB2 ALA A 45 5.621 4.925 6.499 1.00 0.00 H new ATOM 0 HB3 ALA A 45 7.336 4.544 6.215 1.00 0.00 H new ATOM 418 N ALA A 46 8.555 7.951 4.762 1.00 0.00 N ATOM 419 CA ALA A 46 9.848 8.672 4.639 1.00 0.00 C ATOM 420 C ALA A 46 10.412 8.449 3.232 1.00 0.00 C ATOM 421 O ALA A 46 10.056 9.161 2.300 1.00 0.00 O ATOM 422 CB ALA A 46 10.944 8.355 5.686 1.00 0.00 C ATOM 0 H ALA A 46 7.950 8.105 3.955 1.00 0.00 H new ATOM 0 HA ALA A 46 9.592 9.713 4.838 1.00 0.00 H new ATOM 0 HB1 ALA A 46 11.832 8.952 5.476 1.00 0.00 H new ATOM 0 HB2 ALA A 46 10.574 8.594 6.683 1.00 0.00 H new ATOM 0 HB3 ALA A 46 11.198 7.296 5.637 1.00 0.00 H new ATOM 424 N THR A 47 11.239 7.416 3.089 1.00 0.00 N ATOM 425 CA THR A 47 11.892 7.082 1.812 1.00 0.00 C ATOM 426 C THR A 47 11.818 5.576 1.573 1.00 0.00 C ATOM 427 O THR A 47 12.841 4.948 1.367 1.00 0.00 O ATOM 428 CB THR A 47 13.350 7.603 1.806 1.00 0.00 C ATOM 429 OG1 THR A 47 13.306 9.027 1.854 1.00 0.00 O ATOM 430 CG2 THR A 47 14.202 7.231 0.582 1.00 0.00 C ATOM 0 H THR A 47 11.480 6.783 3.852 1.00 0.00 H new ATOM 0 HA THR A 47 11.370 7.573 0.991 1.00 0.00 H new ATOM 0 HB THR A 47 13.823 7.127 2.665 1.00 0.00 H new ATOM 0 HG1 THR A 47 14.219 9.383 1.853 1.00 0.00 H new ATOM 0 HG21 THR A 47 15.201 7.652 0.693 1.00 0.00 H new ATOM 0 HG22 THR A 47 14.272 6.146 0.503 1.00 0.00 H new ATOM 0 HG23 THR A 47 13.738 7.631 -0.320 1.00 0.00 H new ATOM 433 N CYS A 48 10.647 4.964 1.776 1.00 0.00 N ATOM 434 CA CYS A 48 10.487 3.510 1.533 1.00 0.00 C ATOM 435 C CYS A 48 11.694 2.758 2.121 1.00 0.00 C ATOM 436 O CYS A 48 12.669 2.464 1.421 1.00 0.00 O ATOM 437 CB CYS A 48 10.375 3.130 0.036 1.00 0.00 C ATOM 438 SG CYS A 48 9.733 1.428 -0.227 1.00 0.00 S ATOM 0 H CYS A 48 9.803 5.435 2.102 1.00 0.00 H new ATOM 0 HA CYS A 48 9.550 3.228 2.014 1.00 0.00 H new ATOM 0 HB2 CYS A 48 9.719 3.841 -0.466 1.00 0.00 H new ATOM 0 HB3 CYS A 48 11.356 3.218 -0.430 1.00 0.00 H new ATOM 440 N PRO A 49 11.683 2.556 3.442 1.00 0.00 N ATOM 441 CA PRO A 49 12.801 1.898 4.123 1.00 0.00 C ATOM 442 C PRO A 49 12.943 0.424 3.708 1.00 0.00 C ATOM 443 O PRO A 49 13.691 -0.310 4.342 1.00 0.00 O ATOM 444 CB PRO A 49 12.471 2.068 5.606 1.00 0.00 C ATOM 445 CG PRO A 49 10.942 2.102 5.652 1.00 0.00 C ATOM 446 CD PRO A 49 10.538 2.782 4.344 1.00 0.00 C ATOM 0 HA PRO A 49 13.767 2.332 3.866 1.00 0.00 H new ATOM 0 HB2 PRO A 49 12.868 1.244 6.199 1.00 0.00 H new ATOM 0 HB3 PRO A 49 12.901 2.986 6.007 1.00 0.00 H new ATOM 0 HG2 PRO A 49 10.524 1.098 5.724 1.00 0.00 H new ATOM 0 HG3 PRO A 49 10.583 2.659 6.517 1.00 0.00 H new ATOM 0 HD2 PRO A 49 9.622 2.351 3.939 1.00 0.00 H new ATOM 0 HD3 PRO A 49 10.352 3.846 4.491 1.00 0.00 H new ATOM 447 N SER A 50 12.089 -0.004 2.770 1.00 0.00 N ATOM 448 CA SER A 50 12.032 -1.371 2.217 1.00 0.00 C ATOM 449 C SER A 50 11.223 -2.264 3.140 1.00 0.00 C ATOM 450 O SER A 50 10.271 -2.876 2.667 1.00 0.00 O ATOM 451 CB SER A 50 13.393 -2.046 2.020 1.00 0.00 C ATOM 452 OG SER A 50 14.143 -1.306 1.063 1.00 0.00 O ATOM 0 H SER A 50 11.390 0.613 2.357 1.00 0.00 H new ATOM 0 HA SER A 50 11.578 -1.253 1.233 1.00 0.00 H new ATOM 0 HB2 SER A 50 13.931 -2.091 2.967 1.00 0.00 H new ATOM 0 HB3 SER A 50 13.258 -3.073 1.680 1.00 0.00 H new ATOM 0 HG SER A 50 15.016 -1.731 0.933 1.00 0.00 H new ATOM 455 N LYS A 51 11.486 -2.136 4.446 1.00 0.00 N ATOM 456 CA LYS A 51 10.833 -2.922 5.506 1.00 0.00 C ATOM 457 C LYS A 51 11.306 -4.376 5.410 1.00 0.00 C ATOM 458 O LYS A 51 12.502 -4.648 5.370 1.00 0.00 O ATOM 459 CB LYS A 51 9.310 -2.816 5.389 1.00 0.00 C ATOM 460 CG LYS A 51 8.856 -1.373 5.376 1.00 0.00 C ATOM 461 CD LYS A 51 7.376 -1.461 5.114 1.00 0.00 C ATOM 462 CE LYS A 51 6.615 -1.748 6.412 1.00 0.00 C ATOM 463 NZ LYS A 51 5.167 -1.658 6.139 1.00 0.00 N ATOM 0 H LYS A 51 12.171 -1.471 4.805 1.00 0.00 H new ATOM 0 HA LYS A 51 11.109 -2.528 6.484 1.00 0.00 H new ATOM 0 HB2 LYS A 51 8.978 -3.311 4.476 1.00 0.00 H new ATOM 0 HB3 LYS A 51 8.842 -3.339 6.223 1.00 0.00 H new ATOM 0 HG2 LYS A 51 9.065 -0.880 6.325 1.00 0.00 H new ATOM 0 HG3 LYS A 51 9.366 -0.801 4.601 1.00 0.00 H new ATOM 0 HD2 LYS A 51 7.022 -0.527 4.678 1.00 0.00 H new ATOM 0 HD3 LYS A 51 7.176 -2.248 4.387 1.00 0.00 H new ATOM 0 HE2 LYS A 51 6.868 -2.739 6.788 1.00 0.00 H new ATOM 0 HE3 LYS A 51 6.900 -1.033 7.183 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 4.650 -2.274 6.799 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 4.851 -0.675 6.263 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 4.978 -1.961 5.162 1.00 0.00 H new ATOM 468 N LYS A 52 10.349 -5.284 5.494 1.00 0.00 N ATOM 469 CA LYS A 52 10.594 -6.716 5.461 1.00 0.00 C ATOM 470 C LYS A 52 9.825 -7.380 4.320 1.00 0.00 C ATOM 471 O LYS A 52 9.045 -6.711 3.643 1.00 0.00 O ATOM 472 CB LYS A 52 10.160 -7.207 6.839 1.00 0.00 C ATOM 473 CG LYS A 52 11.240 -6.857 7.851 1.00 0.00 C ATOM 474 CD LYS A 52 10.906 -7.558 9.154 1.00 0.00 C ATOM 475 CE LYS A 52 11.836 -7.035 10.238 1.00 0.00 C ATOM 476 NZ LYS A 52 11.559 -7.741 11.490 1.00 0.00 N ATOM 0 H LYS A 52 9.362 -5.043 5.589 1.00 0.00 H new ATOM 0 HA LYS A 52 11.637 -6.966 5.266 1.00 0.00 H new ATOM 0 HB2 LYS A 52 9.214 -6.745 7.123 1.00 0.00 H new ATOM 0 HB3 LYS A 52 9.996 -8.284 6.821 1.00 0.00 H new ATOM 0 HG2 LYS A 52 12.218 -7.172 7.489 1.00 0.00 H new ATOM 0 HG3 LYS A 52 11.288 -5.778 8.000 1.00 0.00 H new ATOM 0 HD2 LYS A 52 9.867 -7.375 9.427 1.00 0.00 H new ATOM 0 HD3 LYS A 52 11.022 -8.636 9.044 1.00 0.00 H new ATOM 0 HE2 LYS A 52 12.875 -7.183 9.945 1.00 0.00 H new ATOM 0 HE3 LYS A 52 11.692 -5.963 10.371 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 12.192 -7.387 12.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 10.571 -7.578 11.769 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 11.717 -8.760 11.356 1.00 0.00 H new ATOM 481 N PRO A 53 10.060 -8.683 4.120 1.00 0.00 N ATOM 482 CA PRO A 53 9.372 -9.466 3.095 1.00 0.00 C ATOM 483 C PRO A 53 7.911 -9.652 3.506 1.00 0.00 C ATOM 484 O PRO A 53 7.063 -8.905 3.021 1.00 0.00 O ATOM 485 CB PRO A 53 10.188 -10.760 3.008 1.00 0.00 C ATOM 486 CG PRO A 53 10.749 -10.959 4.416 1.00 0.00 C ATOM 487 CD PRO A 53 11.035 -9.529 4.847 1.00 0.00 C ATOM 0 HA PRO A 53 9.321 -9.002 2.110 1.00 0.00 H new ATOM 0 HB2 PRO A 53 9.565 -11.602 2.707 1.00 0.00 H new ATOM 0 HB3 PRO A 53 10.987 -10.676 2.271 1.00 0.00 H new ATOM 0 HG2 PRO A 53 10.032 -11.448 5.075 1.00 0.00 H new ATOM 0 HG3 PRO A 53 11.650 -11.572 4.413 1.00 0.00 H new ATOM 0 HD2 PRO A 53 10.922 -9.416 5.925 1.00 0.00 H new ATOM 0 HD3 PRO A 53 12.058 -9.244 4.602 1.00 0.00 H new ATOM 488 N TYR A 54 7.690 -10.516 4.503 1.00 0.00 N ATOM 489 CA TYR A 54 6.364 -10.923 5.015 1.00 0.00 C ATOM 490 C TYR A 54 5.362 -10.975 3.851 1.00 0.00 C ATOM 491 O TYR A 54 5.788 -11.089 2.719 1.00 0.00 O ATOM 492 CB TYR A 54 5.977 -9.939 6.127 1.00 0.00 C ATOM 493 CG TYR A 54 4.603 -10.245 6.729 1.00 0.00 C ATOM 494 CD1 TYR A 54 4.432 -11.406 7.476 1.00 0.00 C ATOM 495 CD2 TYR A 54 3.510 -9.461 6.383 1.00 0.00 C ATOM 496 CE1 TYR A 54 3.168 -11.781 7.888 1.00 0.00 C ATOM 497 CE2 TYR A 54 2.236 -9.847 6.784 1.00 0.00 C ATOM 498 CZ TYR A 54 2.086 -11.002 7.528 1.00 0.00 C ATOM 499 OH TYR A 54 0.863 -11.315 7.979 1.00 0.00 O ATOM 0 H TYR A 54 8.456 -10.972 4.999 1.00 0.00 H new ATOM 0 HA TYR A 54 6.372 -11.925 5.445 1.00 0.00 H new ATOM 0 HB2 TYR A 54 6.730 -9.971 6.914 1.00 0.00 H new ATOM 0 HB3 TYR A 54 5.977 -8.925 5.727 1.00 0.00 H new ATOM 0 HD1 TYR A 54 5.287 -12.014 7.734 1.00 0.00 H new ATOM 0 HD2 TYR A 54 3.649 -8.558 5.807 1.00 0.00 H new ATOM 0 HE1 TYR A 54 3.028 -12.671 8.483 1.00 0.00 H new ATOM 0 HE2 TYR A 54 1.375 -9.252 6.518 1.00 0.00 H new ATOM 0 HH TYR A 54 0.702 -10.859 8.831 1.00 0.00 H new ATOM 506 N GLU A 55 4.067 -10.908 4.160 1.00 0.00 N ATOM 507 CA GLU A 55 2.960 -10.827 3.203 1.00 0.00 C ATOM 508 C GLU A 55 3.409 -10.246 1.850 1.00 0.00 C ATOM 509 O GLU A 55 4.010 -10.924 1.031 1.00 0.00 O ATOM 510 CB GLU A 55 1.844 -9.973 3.818 1.00 0.00 C ATOM 511 CG GLU A 55 0.484 -10.473 3.397 1.00 0.00 C ATOM 512 CD GLU A 55 0.427 -10.373 1.887 1.00 0.00 C ATOM 513 OE1 GLU A 55 0.084 -9.250 1.464 1.00 0.00 O ATOM 514 OE2 GLU A 55 0.779 -11.358 1.205 1.00 0.00 O ATOM 0 H GLU A 55 3.745 -10.909 5.128 1.00 0.00 H new ATOM 0 HA GLU A 55 2.594 -11.834 3.002 1.00 0.00 H new ATOM 0 HB2 GLU A 55 1.922 -9.994 4.905 1.00 0.00 H new ATOM 0 HB3 GLU A 55 1.965 -8.934 3.510 1.00 0.00 H new ATOM 0 HG2 GLU A 55 0.333 -11.503 3.722 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -0.305 -9.876 3.854 1.00 0.00 H new ATOM 516 N GLU A 56 3.037 -9.002 1.595 1.00 0.00 N ATOM 517 CA GLU A 56 3.380 -8.338 0.341 1.00 0.00 C ATOM 518 C GLU A 56 4.095 -7.057 0.692 1.00 0.00 C ATOM 519 O GLU A 56 3.797 -6.455 1.717 1.00 0.00 O ATOM 520 CB GLU A 56 2.121 -8.035 -0.463 1.00 0.00 C ATOM 521 CG GLU A 56 1.521 -9.320 -1.038 1.00 0.00 C ATOM 522 CD GLU A 56 2.415 -9.947 -2.094 1.00 0.00 C ATOM 523 OE1 GLU A 56 3.317 -10.723 -1.722 1.00 0.00 O ATOM 524 OE2 GLU A 56 2.184 -9.568 -3.259 1.00 0.00 O ATOM 0 H GLU A 56 2.495 -8.427 2.240 1.00 0.00 H new ATOM 0 HA GLU A 56 4.015 -8.980 -0.270 1.00 0.00 H new ATOM 0 HB2 GLU A 56 1.388 -7.539 0.174 1.00 0.00 H new ATOM 0 HB3 GLU A 56 2.358 -7.345 -1.273 1.00 0.00 H new ATOM 0 HG2 GLU A 56 1.357 -10.035 -0.232 1.00 0.00 H new ATOM 0 HG3 GLU A 56 0.546 -9.101 -1.473 1.00 0.00 H new ATOM 526 N VAL A 57 4.967 -6.659 -0.220 1.00 0.00 N ATOM 527 CA VAL A 57 5.811 -5.458 -0.067 1.00 0.00 C ATOM 528 C VAL A 57 6.251 -5.065 -1.485 1.00 0.00 C ATOM 529 O VAL A 57 5.910 -5.718 -2.466 1.00 0.00 O ATOM 530 CB VAL A 57 7.047 -5.755 0.820 1.00 0.00 C ATOM 531 CG1 VAL A 57 8.092 -4.644 0.974 1.00 0.00 C ATOM 532 CG2 VAL A 57 6.642 -5.982 2.259 1.00 0.00 C ATOM 0 H VAL A 57 5.119 -7.155 -1.098 1.00 0.00 H new ATOM 0 HA VAL A 57 5.261 -4.653 0.421 1.00 0.00 H new ATOM 0 HB VAL A 57 7.473 -6.605 0.287 1.00 0.00 H new ATOM 0 HG11 VAL A 57 8.899 -4.990 1.620 1.00 0.00 H new ATOM 0 HG12 VAL A 57 8.496 -4.386 -0.005 1.00 0.00 H new ATOM 0 HG13 VAL A 57 7.625 -3.764 1.417 1.00 0.00 H new ATOM 0 HG21 VAL A 57 7.529 -6.188 2.858 1.00 0.00 H new ATOM 0 HG22 VAL A 57 6.144 -5.091 2.642 1.00 0.00 H new ATOM 0 HG23 VAL A 57 5.960 -6.831 2.316 1.00 0.00 H new ATOM 534 N THR A 58 6.950 -3.945 -1.539 1.00 0.00 N ATOM 535 CA THR A 58 7.588 -3.405 -2.759 1.00 0.00 C ATOM 536 C THR A 58 8.240 -2.060 -2.392 1.00 0.00 C ATOM 537 O THR A 58 8.341 -1.733 -1.217 1.00 0.00 O ATOM 538 CB THR A 58 6.509 -3.286 -3.838 1.00 0.00 C ATOM 539 OG1 THR A 58 6.967 -2.729 -5.061 1.00 0.00 O ATOM 540 CG2 THR A 58 5.466 -2.347 -3.335 1.00 0.00 C ATOM 0 H THR A 58 7.102 -3.358 -0.719 1.00 0.00 H new ATOM 0 HA THR A 58 8.373 -4.051 -3.154 1.00 0.00 H new ATOM 0 HB THR A 58 6.157 -4.299 -4.032 1.00 0.00 H new ATOM 0 HG1 THR A 58 6.225 -2.687 -5.699 1.00 0.00 H new ATOM 0 HG21 THR A 58 4.681 -2.241 -4.083 1.00 0.00 H new ATOM 0 HG22 THR A 58 5.038 -2.739 -2.413 1.00 0.00 H new ATOM 0 HG23 THR A 58 5.916 -1.373 -3.141 1.00 0.00 H new ATOM 543 N CYS A 59 8.362 -1.209 -3.409 1.00 0.00 N ATOM 544 CA CYS A 59 8.996 0.112 -3.352 1.00 0.00 C ATOM 545 C CYS A 59 9.012 0.698 -4.763 1.00 0.00 C ATOM 546 O CYS A 59 9.715 0.226 -5.655 1.00 0.00 O ATOM 547 CB CYS A 59 10.442 0.008 -2.844 1.00 0.00 C ATOM 548 SG CYS A 59 10.716 -0.180 -1.043 1.00 0.00 S ATOM 0 H CYS A 59 8.006 -1.429 -4.339 1.00 0.00 H new ATOM 0 HA CYS A 59 8.433 0.746 -2.667 1.00 0.00 H new ATOM 0 HB2 CYS A 59 10.909 -0.841 -3.342 1.00 0.00 H new ATOM 0 HB3 CYS A 59 10.974 0.901 -3.170 1.00 0.00 H new ATOM 550 N CYS A 60 8.144 1.677 -4.960 1.00 0.00 N ATOM 551 CA CYS A 60 8.098 2.375 -6.248 1.00 0.00 C ATOM 552 C CYS A 60 8.555 3.796 -6.035 1.00 0.00 C ATOM 553 O CYS A 60 9.140 4.066 -4.983 1.00 0.00 O ATOM 554 CB CYS A 60 6.682 2.311 -6.782 1.00 0.00 C ATOM 555 SG CYS A 60 6.304 0.528 -6.953 1.00 0.00 S ATOM 0 H CYS A 60 7.473 2.006 -4.266 1.00 0.00 H new ATOM 0 HA CYS A 60 8.757 1.910 -6.981 1.00 0.00 H new ATOM 0 HB2 CYS A 60 5.983 2.797 -6.101 1.00 0.00 H new ATOM 0 HB3 CYS A 60 6.601 2.823 -7.741 1.00 0.00 H new ATOM 557 N SER A 61 8.119 4.674 -6.956 1.00 0.00 N ATOM 558 CA SER A 61 8.571 6.066 -7.032 1.00 0.00 C ATOM 559 C SER A 61 8.548 6.704 -8.412 1.00 0.00 C ATOM 560 O SER A 61 9.465 7.389 -8.874 1.00 0.00 O ATOM 561 CB SER A 61 10.024 6.105 -6.664 1.00 0.00 C ATOM 562 OG SER A 61 11.035 5.456 -7.390 1.00 0.00 O ATOM 0 H SER A 61 7.436 4.430 -7.673 1.00 0.00 H new ATOM 0 HA SER A 61 7.882 6.604 -6.381 1.00 0.00 H new ATOM 0 HB2 SER A 61 10.301 7.159 -6.631 1.00 0.00 H new ATOM 0 HB3 SER A 61 10.090 5.726 -5.644 1.00 0.00 H new ATOM 0 HG SER A 61 11.045 5.793 -8.310 1.00 0.00 H new ATOM 565 N THR A 62 7.454 6.462 -9.088 1.00 0.00 N ATOM 566 CA THR A 62 7.333 6.952 -10.471 1.00 0.00 C ATOM 567 C THR A 62 5.958 7.566 -10.652 1.00 0.00 C ATOM 568 O THR A 62 5.346 7.287 -11.668 1.00 0.00 O ATOM 569 CB THR A 62 7.615 5.815 -11.486 1.00 0.00 C ATOM 570 OG1 THR A 62 8.979 5.443 -11.346 1.00 0.00 O ATOM 571 CG2 THR A 62 7.435 6.129 -12.983 1.00 0.00 C ATOM 0 H THR A 62 6.648 5.947 -8.734 1.00 0.00 H new ATOM 0 HA THR A 62 8.080 7.722 -10.663 1.00 0.00 H new ATOM 0 HB THR A 62 6.872 5.056 -11.240 1.00 0.00 H new ATOM 0 HG1 THR A 62 9.188 4.722 -11.976 1.00 0.00 H new ATOM 0 HG21 THR A 62 7.667 5.241 -13.571 1.00 0.00 H new ATOM 0 HG22 THR A 62 6.404 6.429 -13.170 1.00 0.00 H new ATOM 0 HG23 THR A 62 8.106 6.939 -13.268 1.00 0.00 H new ATOM 574 N ASP A 63 5.440 8.242 -9.619 1.00 0.00 N ATOM 575 CA ASP A 63 4.086 8.846 -9.617 1.00 0.00 C ATOM 576 C ASP A 63 3.160 8.019 -8.738 1.00 0.00 C ATOM 577 O ASP A 63 2.083 8.500 -8.428 1.00 0.00 O ATOM 578 CB ASP A 63 3.424 8.909 -11.002 1.00 0.00 C ATOM 579 CG ASP A 63 2.232 9.790 -11.176 1.00 0.00 C ATOM 580 OD1 ASP A 63 1.145 9.283 -10.835 1.00 0.00 O ATOM 581 OD2 ASP A 63 2.488 10.900 -11.678 1.00 0.00 O ATOM 0 H ASP A 63 5.949 8.391 -8.748 1.00 0.00 H new ATOM 0 HA ASP A 63 4.227 9.864 -9.254 1.00 0.00 H new ATOM 0 HB2 ASP A 63 4.181 9.228 -11.718 1.00 0.00 H new ATOM 0 HB3 ASP A 63 3.132 7.896 -11.277 1.00 0.00 H new ATOM 583 N LYS A 64 3.436 6.735 -8.575 1.00 0.00 N ATOM 584 CA LYS A 64 2.596 5.818 -7.788 1.00 0.00 C ATOM 585 C LYS A 64 3.059 4.400 -8.054 1.00 0.00 C ATOM 586 O LYS A 64 3.965 4.234 -8.865 1.00 0.00 O ATOM 587 CB LYS A 64 1.154 5.898 -8.259 1.00 0.00 C ATOM 588 CG LYS A 64 0.201 5.204 -7.323 1.00 0.00 C ATOM 589 CD LYS A 64 -1.094 5.611 -7.928 1.00 0.00 C ATOM 590 CE LYS A 64 -2.011 4.412 -7.718 1.00 0.00 C ATOM 591 NZ LYS A 64 -3.353 4.592 -7.612 1.00 0.00 N ATOM 0 H LYS A 64 4.255 6.286 -8.985 1.00 0.00 H new ATOM 0 HA LYS A 64 2.671 6.087 -6.734 1.00 0.00 H new ATOM 0 HB2 LYS A 64 0.865 6.944 -8.356 1.00 0.00 H new ATOM 0 HB3 LYS A 64 1.074 5.452 -9.250 1.00 0.00 H new ATOM 0 HG2 LYS A 64 0.337 4.122 -7.316 1.00 0.00 H new ATOM 0 HG3 LYS A 64 0.306 5.545 -6.293 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -1.493 6.504 -7.447 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -0.981 5.843 -8.987 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -1.841 3.725 -8.547 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -1.680 3.906 -6.811 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -3.694 4.152 -6.734 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -3.566 5.610 -7.595 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -3.828 4.153 -8.426 1.00 0.00 H new ATOM 596 N CYS A 65 2.518 3.495 -7.226 1.00 0.00 N ATOM 597 CA CYS A 65 2.651 2.039 -7.369 1.00 0.00 C ATOM 598 C CYS A 65 2.323 1.345 -6.061 1.00 0.00 C ATOM 599 O CYS A 65 3.148 0.743 -5.372 1.00 0.00 O ATOM 600 CB CYS A 65 4.081 1.778 -7.675 1.00 0.00 C ATOM 601 SG CYS A 65 4.635 0.113 -8.044 1.00 0.00 S ATOM 0 H CYS A 65 1.960 3.764 -6.416 1.00 0.00 H new ATOM 0 HA CYS A 65 1.977 1.672 -8.143 1.00 0.00 H new ATOM 0 HB2 CYS A 65 4.349 2.404 -8.526 1.00 0.00 H new ATOM 0 HB3 CYS A 65 4.663 2.131 -6.824 1.00 0.00 H new ATOM 603 N ASN A 66 1.132 1.700 -5.643 1.00 0.00 N ATOM 604 CA ASN A 66 0.563 1.132 -4.438 1.00 0.00 C ATOM 605 C ASN A 66 -0.957 1.125 -4.521 1.00 0.00 C ATOM 606 O ASN A 66 -1.626 1.591 -3.612 1.00 0.00 O ATOM 607 CB ASN A 66 1.232 1.909 -3.317 1.00 0.00 C ATOM 608 CG ASN A 66 0.826 3.350 -3.309 1.00 0.00 C ATOM 609 OD1 ASN A 66 1.383 3.932 -4.290 1.00 0.00 O flip ATOM 610 ND2 ASN A 66 0.022 3.963 -2.619 1.00 0.00 N flip ATOM 0 H ASN A 66 0.536 2.379 -6.117 1.00 0.00 H new ATOM 0 HA ASN A 66 0.758 0.074 -4.263 1.00 0.00 H new ATOM 0 HB2 ASN A 66 0.976 1.456 -2.359 1.00 0.00 H new ATOM 0 HB3 ASN A 66 2.314 1.839 -3.424 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -0.429 3.501 -1.829 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -0.197 4.936 -2.834 1.00 0.00 H new ATOM 614 N PRO A 67 -1.511 0.666 -5.629 1.00 0.00 N ATOM 615 CA PRO A 67 -2.944 0.626 -5.858 1.00 0.00 C ATOM 616 C PRO A 67 -3.648 -0.328 -4.936 1.00 0.00 C ATOM 617 O PRO A 67 -3.208 -0.547 -3.816 1.00 0.00 O ATOM 618 CB PRO A 67 -3.169 0.606 -7.356 1.00 0.00 C ATOM 619 CG PRO A 67 -1.992 -0.253 -7.785 1.00 0.00 C ATOM 620 CD PRO A 67 -0.867 0.097 -6.823 1.00 0.00 C ATOM 0 HA PRO A 67 -3.478 1.523 -5.544 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -4.128 0.165 -7.628 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -3.140 1.603 -7.796 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -2.239 -1.313 -7.732 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -1.707 -0.043 -8.816 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -0.284 -0.788 -6.567 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -0.179 0.813 -7.273 1.00 0.00 H new ATOM 621 N HIS A 68 -4.828 -0.724 -5.419 1.00 0.00 N ATOM 622 CA HIS A 68 -5.602 -1.749 -4.747 1.00 0.00 C ATOM 623 C HIS A 68 -6.944 -1.913 -5.454 1.00 0.00 C ATOM 624 O HIS A 68 -7.694 -0.944 -5.556 1.00 0.00 O ATOM 625 CB HIS A 68 -5.792 -1.332 -3.301 1.00 0.00 C ATOM 626 CG HIS A 68 -6.499 -2.410 -2.569 1.00 0.00 C ATOM 627 ND1 HIS A 68 -7.772 -2.408 -2.244 1.00 0.00 N flip ATOM 628 CD2 HIS A 68 -5.931 -3.527 -2.206 1.00 0.00 C flip ATOM 629 CE1 HIS A 68 -8.065 -3.525 -1.695 1.00 0.00 C flip ATOM 630 NE2 HIS A 68 -6.904 -4.139 -1.663 1.00 0.00 N flip ATOM 0 H HIS A 68 -5.258 -0.350 -6.265 1.00 0.00 H new ATOM 0 HA HIS A 68 -5.085 -2.708 -4.776 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -4.825 -1.135 -2.837 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -6.365 -0.406 -3.250 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -4.907 -3.847 -2.333 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -9.025 -3.875 -1.346 1.00 0.00 H new ATOM 0 HE2 HIS A 68 -6.790 -5.054 -1.227 1.00 0.00 H new ATOM 633 N PRO A 69 -7.190 -3.135 -5.932 1.00 0.00 N ATOM 634 CA PRO A 69 -8.438 -3.468 -6.628 1.00 0.00 C ATOM 635 C PRO A 69 -9.585 -3.559 -5.618 1.00 0.00 C ATOM 636 O PRO A 69 -9.407 -3.143 -4.481 1.00 0.00 O ATOM 637 CB PRO A 69 -8.117 -4.805 -7.297 1.00 0.00 C ATOM 638 CG PRO A 69 -7.105 -5.471 -6.364 1.00 0.00 C ATOM 639 CD PRO A 69 -6.294 -4.305 -5.810 1.00 0.00 C ATOM 0 HA PRO A 69 -8.764 -2.727 -7.358 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -9.012 -5.416 -7.411 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -7.701 -4.660 -8.294 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -7.601 -6.027 -5.568 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -6.473 -6.178 -6.900 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -6.008 -4.479 -4.773 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -5.373 -4.159 -6.374 1.00 0.00 H new ATOM 640 N LYS A 70 -10.706 -4.134 -6.035 1.00 0.00 N ATOM 641 CA LYS A 70 -11.889 -4.360 -5.184 1.00 0.00 C ATOM 642 C LYS A 70 -12.319 -3.027 -4.558 1.00 0.00 C ATOM 643 O LYS A 70 -12.949 -2.216 -5.238 1.00 0.00 O ATOM 644 CB LYS A 70 -11.581 -5.434 -4.132 1.00 0.00 C ATOM 645 CG LYS A 70 -12.858 -5.772 -3.375 1.00 0.00 C ATOM 646 CD LYS A 70 -12.520 -6.647 -2.187 1.00 0.00 C ATOM 647 CE LYS A 70 -13.827 -7.000 -1.502 1.00 0.00 C ATOM 648 NZ LYS A 70 -13.486 -7.759 -0.310 1.00 0.00 N ATOM 0 H LYS A 70 -10.830 -4.466 -6.991 1.00 0.00 H new ATOM 0 HA LYS A 70 -12.723 -4.732 -5.780 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -11.181 -6.327 -4.612 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -10.818 -5.075 -3.441 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -13.348 -4.858 -3.040 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -13.559 -6.287 -4.033 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -11.999 -7.549 -2.509 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -11.855 -6.123 -1.500 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -14.382 -6.099 -1.241 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -14.464 -7.586 -2.164 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -14.310 -8.316 -0.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -12.694 -8.399 -0.521 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -13.210 -7.105 0.451 1.00 0.00 H new ATOM 653 N GLN A 71 -11.845 -2.776 -3.342 1.00 0.00 N ATOM 654 CA GLN A 71 -12.102 -1.515 -2.650 1.00 0.00 C ATOM 655 C GLN A 71 -13.595 -1.461 -2.335 1.00 0.00 C ATOM 656 O GLN A 71 -14.253 -2.492 -2.192 1.00 0.00 O ATOM 657 CB GLN A 71 -11.648 -0.296 -3.472 1.00 0.00 C ATOM 658 CG GLN A 71 -10.148 -0.270 -3.729 1.00 0.00 C ATOM 659 CD GLN A 71 -9.359 0.085 -2.475 1.00 0.00 C ATOM 660 OE1 GLN A 71 -8.084 0.224 -2.593 1.00 0.00 O flip ATOM 661 NE2 GLN A 71 -9.827 0.374 -1.397 1.00 0.00 N flip ATOM 0 H GLN A 71 -11.276 -3.435 -2.810 1.00 0.00 H new ATOM 0 HA GLN A 71 -11.520 -1.474 -1.729 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -12.174 -0.294 -4.427 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -11.936 0.615 -2.948 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -9.826 -1.245 -4.096 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -9.927 0.454 -4.513 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -10.831 0.287 -1.237 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -9.218 0.705 -0.649 1.00 0.00 H new ATOM 665 N ARG A 72 -14.044 -0.249 -2.057 1.00 0.00 N ATOM 666 CA ARG A 72 -15.446 0.006 -1.731 1.00 0.00 C ATOM 667 C ARG A 72 -15.840 1.360 -2.299 1.00 0.00 C ATOM 668 O ARG A 72 -15.241 2.381 -1.952 1.00 0.00 O ATOM 669 CB ARG A 72 -15.737 -0.049 -0.229 1.00 0.00 C ATOM 670 CG ARG A 72 -15.487 -1.453 0.337 1.00 0.00 C ATOM 671 CD ARG A 72 -15.388 -1.370 1.852 1.00 0.00 C ATOM 672 NE ARG A 72 -14.637 -2.497 2.434 1.00 0.00 N ATOM 673 CZ ARG A 72 -14.608 -2.749 3.742 1.00 0.00 C ATOM 674 NH1 ARG A 72 -15.247 -1.969 4.606 1.00 0.00 N ATOM 675 NH2 ARG A 72 -13.941 -3.800 4.194 1.00 0.00 N ATOM 0 H ARG A 72 -13.456 0.584 -2.049 1.00 0.00 H new ATOM 0 HA ARG A 72 -16.042 -0.789 -2.180 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -15.108 0.673 0.292 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -16.772 0.240 -0.046 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -16.297 -2.124 0.050 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -14.568 -1.867 -0.077 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -14.904 -0.434 2.130 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -16.391 -1.349 2.277 1.00 0.00 H new ATOM 0 HE ARG A 72 -14.116 -3.111 1.808 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -15.772 -1.161 4.272 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -15.213 -2.178 5.604 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -13.452 -4.413 3.542 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -13.916 -3.997 5.195 1.00 0.00 H new ATOM 682 N PRO A 73 -16.876 1.335 -3.145 1.00 0.00 N ATOM 683 CA PRO A 73 -17.433 2.543 -3.765 1.00 0.00 C ATOM 684 C PRO A 73 -18.254 3.384 -2.763 1.00 0.00 C ATOM 685 O PRO A 73 -19.319 3.897 -3.075 1.00 0.00 O ATOM 686 CB PRO A 73 -18.257 1.983 -4.929 1.00 0.00 C ATOM 687 CG PRO A 73 -18.752 0.627 -4.428 1.00 0.00 C ATOM 688 CD PRO A 73 -17.599 0.116 -3.570 1.00 0.00 C ATOM 0 HA PRO A 73 -16.676 3.249 -4.107 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -19.089 2.641 -5.180 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -17.652 1.877 -5.829 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -19.670 0.725 -3.848 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -18.968 -0.051 -5.254 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -17.964 -0.447 -2.711 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -16.950 -0.552 -4.136 1.00 0.00 H new ATOM 689 N GLY A 74 -17.715 3.493 -1.539 1.00 0.00 N ATOM 690 CA GLY A 74 -18.371 4.188 -0.412 1.00 0.00 C ATOM 691 C GLY A 74 -17.835 3.726 0.954 1.00 0.00 C ATOM 692 O GLY A 74 -18.521 4.013 1.957 1.00 0.00 O ATOM 693 OXT GLY A 74 -16.741 3.115 0.961 1.00 99.99 O ATOM 0 H GLY A 74 -16.805 3.100 -1.298 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -18.220 5.263 -0.514 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -19.446 4.012 -0.456 1.00 0.00 H new TER 695 GLY A 74