USER MOD reduce.3.24.130724 H: found=0, std=0, add=984, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 982 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 59 HIS : no HD1:sc= -1.09 K(o=-1.9,f=-0.21) USER MOD Set 1.2: A 83 LYS NZ :NH3+ -145:sc= -0.844 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ -125:sc= 0.0795 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= -0.0969 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 24:sc=0.000737 USER MOD Single : A 13 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0422) USER MOD Single : A 15 GLN : amide:sc= -2.5 K(o=-2.5,f=-5.7!) USER MOD Single : A 18 THR OG1 : rot 180:sc= -0.584 USER MOD Single : A 20 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0289) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 151:sc= -0.0817 (180deg=-0.583) USER MOD Single : A 46 LYS NZ :NH3+ 147:sc= 1.08 (180deg=0.257) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 MET CE :methyl -157:sc= -5.32! (180deg=-7.39!) USER MOD Single : A 54 SER OG : rot -62:sc= 0.0426 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 GLN : amide:sc= 1.18 K(o=1.2,f=-0.068) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 HIS : no HE2:sc= -2.34! C(o=-2.3!,f=-6.3!) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 73 TYR OH : rot 40:sc= 0.239 USER MOD Single : A 74 THR OG1 : rot 79:sc= 0.66 USER MOD Single : A 77 MET CE :methyl -168:sc= -1.02 (180deg=-1.51) USER MOD Single : A 78 GLN : amide:sc= -0.106 X(o=-0.11,f=0) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 ASN : amide:sc= -0.667 X(o=-0.67,f=-0.32) USER MOD Single : A 89 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 90 TYR OH : rot -20:sc= 1.05 USER MOD Single : A 92 CYS SG : rot -131:sc= -0.475 USER MOD Single : A 95 THR OG1 : rot -50:sc= 0.0906 USER MOD Single : A 96 TYR OH : rot 30:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ 169:sc= -1.81 (180deg=-1.98) USER MOD Single : A 99 LYS NZ :NH3+ -173:sc= -1.43 (180deg=-1.79) USER MOD Single : A 102 SER OG : rot 4:sc= 0.563 USER MOD Single : A 103 CYS SG : rot 170:sc= 0 USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 110 HIS : no HD1:sc= -1.35 X(o=-1.3,f=-1.8!) USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD Single : A 113 THR OG1 : rot 180:sc= 0 USER MOD Single : A 115 THR OG1 : rot 180:sc= 0 USER MOD Single : A 116 THR OG1 : rot 180:sc= 0 USER MOD Single : A 118 ASN : amide:sc= -0.137 K(o=-0.14,f=-0.9) USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD Single : A 125 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 17.599 22.287 18.631 1.00 0.00 N ATOM 2 CA GLY A 1 16.461 21.626 18.020 1.00 0.00 C ATOM 3 C GLY A 1 16.022 20.397 18.790 1.00 0.00 C ATOM 4 O GLY A 1 16.584 20.079 19.838 1.00 0.00 O ATOM 0 H1 GLY A 1 17.367 23.285 18.808 1.00 0.00 H new ATOM 0 H2 GLY A 1 17.829 21.820 19.531 1.00 0.00 H new ATOM 0 H3 GLY A 1 18.418 22.230 17.992 1.00 0.00 H new ATOM 0 HA2 GLY A 1 15.629 22.327 17.956 1.00 0.00 H new ATOM 0 HA3 GLY A 1 16.716 21.340 17.000 1.00 0.00 H new ATOM 8 N SER A 2 15.013 19.704 18.272 1.00 0.00 N ATOM 9 CA SER A 2 14.494 18.506 18.921 1.00 0.00 C ATOM 10 C SER A 2 15.093 17.248 18.299 1.00 0.00 C ATOM 11 O SER A 2 15.433 17.229 17.116 1.00 0.00 O ATOM 12 CB SER A 2 12.968 18.463 18.817 1.00 0.00 C ATOM 13 OG SER A 2 12.436 17.386 19.568 1.00 0.00 O ATOM 0 H SER A 2 14.538 19.952 17.404 1.00 0.00 H new ATOM 0 HA SER A 2 14.778 18.541 19.973 1.00 0.00 H new ATOM 0 HB2 SER A 2 12.549 19.403 19.176 1.00 0.00 H new ATOM 0 HB3 SER A 2 12.674 18.362 17.772 1.00 0.00 H new ATOM 0 HG SER A 2 11.459 17.381 19.487 1.00 0.00 H new ATOM 19 N SER A 3 15.220 16.199 19.105 1.00 0.00 N ATOM 20 CA SER A 3 15.782 14.938 18.636 1.00 0.00 C ATOM 21 C SER A 3 14.787 14.197 17.749 1.00 0.00 C ATOM 22 O SER A 3 13.590 14.482 17.766 1.00 0.00 O ATOM 23 CB SER A 3 16.177 14.058 19.824 1.00 0.00 C ATOM 24 OG SER A 3 16.664 12.801 19.388 1.00 0.00 O ATOM 0 H SER A 3 14.941 16.197 20.086 1.00 0.00 H new ATOM 0 HA SER A 3 16.671 15.162 18.047 1.00 0.00 H new ATOM 0 HB2 SER A 3 16.941 14.562 20.416 1.00 0.00 H new ATOM 0 HB3 SER A 3 15.315 13.912 20.475 1.00 0.00 H new ATOM 0 HG SER A 3 16.911 12.258 20.166 1.00 0.00 H new ATOM 30 N GLY A 4 15.292 13.243 16.972 1.00 0.00 N ATOM 31 CA GLY A 4 14.435 12.475 16.087 1.00 0.00 C ATOM 32 C GLY A 4 15.167 11.324 15.427 1.00 0.00 C ATOM 33 O GLY A 4 15.914 10.597 16.081 1.00 0.00 O ATOM 0 H GLY A 4 16.279 12.988 16.940 1.00 0.00 H new ATOM 0 HA2 GLY A 4 13.588 12.086 16.653 1.00 0.00 H new ATOM 0 HA3 GLY A 4 14.030 13.132 15.318 1.00 0.00 H new ATOM 37 N SER A 5 14.951 11.157 14.126 1.00 0.00 N ATOM 38 CA SER A 5 15.592 10.082 13.377 1.00 0.00 C ATOM 39 C SER A 5 15.479 10.324 11.875 1.00 0.00 C ATOM 40 O SER A 5 14.590 11.042 11.416 1.00 0.00 O ATOM 41 CB SER A 5 14.962 8.735 13.737 1.00 0.00 C ATOM 42 OG SER A 5 15.707 7.661 13.190 1.00 0.00 O ATOM 0 H SER A 5 14.338 11.752 13.569 1.00 0.00 H new ATOM 0 HA SER A 5 16.648 10.065 13.646 1.00 0.00 H new ATOM 0 HB2 SER A 5 14.911 8.632 14.821 1.00 0.00 H new ATOM 0 HB3 SER A 5 13.938 8.698 13.365 1.00 0.00 H new ATOM 0 HG SER A 5 15.285 6.811 13.436 1.00 0.00 H new ATOM 48 N SER A 6 16.386 9.720 11.114 1.00 0.00 N ATOM 49 CA SER A 6 16.391 9.871 9.664 1.00 0.00 C ATOM 50 C SER A 6 16.775 8.562 8.982 1.00 0.00 C ATOM 51 O SER A 6 17.434 7.709 9.576 1.00 0.00 O ATOM 52 CB SER A 6 17.362 10.979 9.250 1.00 0.00 C ATOM 53 OG SER A 6 16.723 12.243 9.248 1.00 0.00 O ATOM 0 H SER A 6 17.127 9.121 11.478 1.00 0.00 H new ATOM 0 HA SER A 6 15.384 10.142 9.348 1.00 0.00 H new ATOM 0 HB2 SER A 6 18.210 10.998 9.934 1.00 0.00 H new ATOM 0 HB3 SER A 6 17.758 10.767 8.257 1.00 0.00 H new ATOM 0 HG SER A 6 15.948 12.219 9.847 1.00 0.00 H new ATOM 59 N GLY A 7 16.357 8.409 7.729 1.00 0.00 N ATOM 60 CA GLY A 7 16.665 7.202 6.986 1.00 0.00 C ATOM 61 C GLY A 7 15.442 6.602 6.321 1.00 0.00 C ATOM 62 O GLY A 7 15.018 5.499 6.667 1.00 0.00 O ATOM 0 H GLY A 7 15.810 9.100 7.215 1.00 0.00 H new ATOM 0 HA2 GLY A 7 17.414 7.428 6.227 1.00 0.00 H new ATOM 0 HA3 GLY A 7 17.106 6.467 7.660 1.00 0.00 H new ATOM 66 N ILE A 8 14.874 7.330 5.365 1.00 0.00 N ATOM 67 CA ILE A 8 13.692 6.863 4.651 1.00 0.00 C ATOM 68 C ILE A 8 14.049 5.765 3.655 1.00 0.00 C ATOM 69 O ILE A 8 15.062 5.849 2.959 1.00 0.00 O ATOM 70 CB ILE A 8 12.996 8.014 3.902 1.00 0.00 C ATOM 71 CG1 ILE A 8 12.591 9.118 4.880 1.00 0.00 C ATOM 72 CG2 ILE A 8 11.780 7.496 3.147 1.00 0.00 C ATOM 73 CD1 ILE A 8 13.662 10.166 5.086 1.00 0.00 C ATOM 0 H ILE A 8 15.213 8.245 5.067 1.00 0.00 H new ATOM 0 HA ILE A 8 13.009 6.462 5.400 1.00 0.00 H new ATOM 0 HB ILE A 8 13.697 8.434 3.180 1.00 0.00 H new ATOM 0 HG12 ILE A 8 11.686 9.602 4.514 1.00 0.00 H new ATOM 0 HG13 ILE A 8 12.345 8.668 5.842 1.00 0.00 H new ATOM 0 HG21 ILE A 8 11.299 8.321 2.623 1.00 0.00 H new ATOM 0 HG22 ILE A 8 12.094 6.741 2.426 1.00 0.00 H new ATOM 0 HG23 ILE A 8 11.076 7.054 3.851 1.00 0.00 H new ATOM 0 HD11 ILE A 8 13.306 10.917 5.791 1.00 0.00 H new ATOM 0 HD12 ILE A 8 14.561 9.694 5.482 1.00 0.00 H new ATOM 0 HD13 ILE A 8 13.892 10.643 4.133 1.00 0.00 H new ATOM 85 N LEU A 9 13.211 4.737 3.590 1.00 0.00 N ATOM 86 CA LEU A 9 13.436 3.622 2.677 1.00 0.00 C ATOM 87 C LEU A 9 12.308 3.517 1.656 1.00 0.00 C ATOM 88 O LEU A 9 12.550 3.318 0.466 1.00 0.00 O ATOM 89 CB LEU A 9 13.556 2.313 3.459 1.00 0.00 C ATOM 90 CG LEU A 9 14.249 1.159 2.734 1.00 0.00 C ATOM 91 CD1 LEU A 9 15.705 1.501 2.456 1.00 0.00 C ATOM 92 CD2 LEU A 9 14.147 -0.122 3.550 1.00 0.00 C ATOM 0 H LEU A 9 12.369 4.652 4.159 1.00 0.00 H new ATOM 0 HA LEU A 9 14.368 3.805 2.142 1.00 0.00 H new ATOM 0 HB2 LEU A 9 14.099 2.513 4.383 1.00 0.00 H new ATOM 0 HB3 LEU A 9 12.554 1.989 3.742 1.00 0.00 H new ATOM 0 HG LEU A 9 13.746 1.000 1.780 1.00 0.00 H new ATOM 0 HD11 LEU A 9 16.182 0.668 1.940 1.00 0.00 H new ATOM 0 HD12 LEU A 9 15.756 2.393 1.831 1.00 0.00 H new ATOM 0 HD13 LEU A 9 16.221 1.688 3.398 1.00 0.00 H new ATOM 0 HD21 LEU A 9 14.646 -0.933 3.019 1.00 0.00 H new ATOM 0 HD22 LEU A 9 14.625 0.025 4.519 1.00 0.00 H new ATOM 0 HD23 LEU A 9 13.098 -0.377 3.698 1.00 0.00 H new ATOM 104 N PHE A 10 11.074 3.653 2.130 1.00 0.00 N ATOM 105 CA PHE A 10 9.907 3.574 1.259 1.00 0.00 C ATOM 106 C PHE A 10 9.876 4.748 0.285 1.00 0.00 C ATOM 107 O PHE A 10 9.104 5.692 0.458 1.00 0.00 O ATOM 108 CB PHE A 10 8.623 3.553 2.091 1.00 0.00 C ATOM 109 CG PHE A 10 7.539 2.699 1.499 1.00 0.00 C ATOM 110 CD1 PHE A 10 7.823 1.432 1.016 1.00 0.00 C ATOM 111 CD2 PHE A 10 6.236 3.164 1.425 1.00 0.00 C ATOM 112 CE1 PHE A 10 6.827 0.645 0.470 1.00 0.00 C ATOM 113 CE2 PHE A 10 5.235 2.381 0.880 1.00 0.00 C ATOM 114 CZ PHE A 10 5.531 1.119 0.403 1.00 0.00 C ATOM 0 H PHE A 10 10.856 3.818 3.113 1.00 0.00 H new ATOM 0 HA PHE A 10 9.975 2.650 0.685 1.00 0.00 H new ATOM 0 HB2 PHE A 10 8.854 3.190 3.092 1.00 0.00 H new ATOM 0 HB3 PHE A 10 8.253 4.573 2.199 1.00 0.00 H new ATOM 0 HD1 PHE A 10 8.834 1.055 1.067 1.00 0.00 H new ATOM 0 HD2 PHE A 10 5.999 4.150 1.797 1.00 0.00 H new ATOM 0 HE1 PHE A 10 7.062 -0.341 0.096 1.00 0.00 H new ATOM 0 HE2 PHE A 10 4.223 2.756 0.827 1.00 0.00 H new ATOM 0 HZ PHE A 10 4.751 0.504 -0.021 1.00 0.00 H new ATOM 124 N ILE A 11 10.720 4.682 -0.739 1.00 0.00 N ATOM 125 CA ILE A 11 10.789 5.739 -1.741 1.00 0.00 C ATOM 126 C ILE A 11 9.395 6.164 -2.188 1.00 0.00 C ATOM 127 O ILE A 11 8.898 7.216 -1.788 1.00 0.00 O ATOM 128 CB ILE A 11 11.599 5.294 -2.973 1.00 0.00 C ATOM 129 CG1 ILE A 11 13.095 5.287 -2.653 1.00 0.00 C ATOM 130 CG2 ILE A 11 11.308 6.206 -4.155 1.00 0.00 C ATOM 131 CD1 ILE A 11 13.669 6.668 -2.423 1.00 0.00 C ATOM 0 H ILE A 11 11.365 3.908 -0.897 1.00 0.00 H new ATOM 0 HA ILE A 11 11.291 6.586 -1.273 1.00 0.00 H new ATOM 0 HB ILE A 11 11.300 4.280 -3.239 1.00 0.00 H new ATOM 0 HG12 ILE A 11 13.266 4.679 -1.765 1.00 0.00 H new ATOM 0 HG13 ILE A 11 13.632 4.811 -3.474 1.00 0.00 H new ATOM 0 HG21 ILE A 11 11.888 5.879 -5.018 1.00 0.00 H new ATOM 0 HG22 ILE A 11 10.245 6.164 -4.394 1.00 0.00 H new ATOM 0 HG23 ILE A 11 11.582 7.230 -3.901 1.00 0.00 H new ATOM 0 HD11 ILE A 11 14.733 6.587 -2.201 1.00 0.00 H new ATOM 0 HD12 ILE A 11 13.530 7.274 -3.318 1.00 0.00 H new ATOM 0 HD13 ILE A 11 13.158 7.139 -1.583 1.00 0.00 H new ATOM 143 N GLU A 12 8.769 5.338 -3.020 1.00 0.00 N ATOM 144 CA GLU A 12 7.431 5.628 -3.521 1.00 0.00 C ATOM 145 C GLU A 12 6.365 5.112 -2.558 1.00 0.00 C ATOM 146 O GLU A 12 6.463 3.998 -2.044 1.00 0.00 O ATOM 147 CB GLU A 12 7.232 5.001 -4.903 1.00 0.00 C ATOM 148 CG GLU A 12 6.273 5.777 -5.791 1.00 0.00 C ATOM 149 CD GLU A 12 6.615 7.252 -5.870 1.00 0.00 C ATOM 150 OE1 GLU A 12 7.814 7.588 -5.767 1.00 0.00 O ATOM 151 OE2 GLU A 12 5.686 8.069 -6.036 1.00 0.00 O ATOM 0 H GLU A 12 9.167 4.463 -3.361 1.00 0.00 H new ATOM 0 HA GLU A 12 7.329 6.710 -3.603 1.00 0.00 H new ATOM 0 HB2 GLU A 12 8.198 4.928 -5.402 1.00 0.00 H new ATOM 0 HB3 GLU A 12 6.859 3.984 -4.781 1.00 0.00 H new ATOM 0 HG2 GLU A 12 6.287 5.350 -6.794 1.00 0.00 H new ATOM 0 HG3 GLU A 12 5.258 5.663 -5.410 1.00 0.00 H new ATOM 158 N LYS A 13 5.347 5.932 -2.318 1.00 0.00 N ATOM 159 CA LYS A 13 4.262 5.560 -1.417 1.00 0.00 C ATOM 160 C LYS A 13 2.929 5.521 -2.159 1.00 0.00 C ATOM 161 O LYS A 13 2.656 6.339 -3.037 1.00 0.00 O ATOM 162 CB LYS A 13 4.179 6.547 -0.251 1.00 0.00 C ATOM 163 CG LYS A 13 5.498 6.738 0.479 1.00 0.00 C ATOM 164 CD LYS A 13 5.624 8.143 1.044 1.00 0.00 C ATOM 165 CE LYS A 13 6.421 9.047 0.115 1.00 0.00 C ATOM 166 NZ LYS A 13 5.556 9.681 -0.918 1.00 0.00 N ATOM 0 H LYS A 13 5.251 6.858 -2.735 1.00 0.00 H new ATOM 0 HA LYS A 13 4.471 4.564 -1.028 1.00 0.00 H new ATOM 0 HB2 LYS A 13 3.838 7.512 -0.626 1.00 0.00 H new ATOM 0 HB3 LYS A 13 3.428 6.197 0.458 1.00 0.00 H new ATOM 0 HG2 LYS A 13 5.576 6.011 1.288 1.00 0.00 H new ATOM 0 HG3 LYS A 13 6.325 6.544 -0.205 1.00 0.00 H new ATOM 0 HD2 LYS A 13 4.631 8.564 1.200 1.00 0.00 H new ATOM 0 HD3 LYS A 13 6.110 8.102 2.019 1.00 0.00 H new ATOM 0 HE2 LYS A 13 6.916 9.822 0.699 1.00 0.00 H new ATOM 0 HE3 LYS A 13 7.204 8.467 -0.373 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 6.115 10.366 -1.466 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 5.183 8.949 -1.556 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 4.765 10.172 -0.455 1.00 0.00 H new ATOM 180 N PRO A 14 2.079 4.548 -1.798 1.00 0.00 N ATOM 181 CA PRO A 14 0.760 4.381 -2.415 1.00 0.00 C ATOM 182 C PRO A 14 -0.204 5.499 -2.036 1.00 0.00 C ATOM 183 O PRO A 14 -1.016 5.348 -1.124 1.00 0.00 O ATOM 184 CB PRO A 14 0.273 3.042 -1.854 1.00 0.00 C ATOM 185 CG PRO A 14 0.998 2.887 -0.562 1.00 0.00 C ATOM 186 CD PRO A 14 2.339 3.538 -0.758 1.00 0.00 C ATOM 0 HA PRO A 14 0.813 4.409 -3.503 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -0.807 3.045 -1.704 1.00 0.00 H new ATOM 0 HB3 PRO A 14 0.498 2.222 -2.535 1.00 0.00 H new ATOM 0 HG2 PRO A 14 0.450 3.361 0.252 1.00 0.00 H new ATOM 0 HG3 PRO A 14 1.110 1.835 -0.301 1.00 0.00 H new ATOM 0 HD2 PRO A 14 2.703 3.994 0.163 1.00 0.00 H new ATOM 0 HD3 PRO A 14 3.093 2.818 -1.077 1.00 0.00 H new ATOM 194 N GLN A 15 -0.109 6.621 -2.742 1.00 0.00 N ATOM 195 CA GLN A 15 -0.973 7.765 -2.478 1.00 0.00 C ATOM 196 C GLN A 15 -2.442 7.385 -2.634 1.00 0.00 C ATOM 197 O GLN A 15 -2.907 7.103 -3.737 1.00 0.00 O ATOM 198 CB GLN A 15 -0.630 8.919 -3.422 1.00 0.00 C ATOM 199 CG GLN A 15 0.716 9.563 -3.132 1.00 0.00 C ATOM 200 CD GLN A 15 1.870 8.816 -3.772 1.00 0.00 C ATOM 201 OE1 GLN A 15 1.685 8.070 -4.734 1.00 0.00 O ATOM 202 NE2 GLN A 15 3.070 9.013 -3.239 1.00 0.00 N ATOM 0 H GLN A 15 0.558 6.762 -3.501 1.00 0.00 H new ATOM 0 HA GLN A 15 -0.806 8.084 -1.449 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -0.634 8.551 -4.448 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -1.409 9.678 -3.352 1.00 0.00 H new ATOM 0 HG2 GLN A 15 0.708 10.591 -3.494 1.00 0.00 H new ATOM 0 HG3 GLN A 15 0.869 9.606 -2.054 1.00 0.00 H new ATOM 0 HE21 GLN A 15 3.177 9.640 -2.442 1.00 0.00 H new ATOM 0 HE22 GLN A 15 3.885 8.537 -3.627 1.00 0.00 H new ATOM 211 N GLY A 16 -3.168 7.380 -1.520 1.00 0.00 N ATOM 212 CA GLY A 16 -4.577 7.032 -1.554 1.00 0.00 C ATOM 213 C GLY A 16 -5.388 7.985 -2.409 1.00 0.00 C ATOM 214 O GLY A 16 -4.985 9.124 -2.635 1.00 0.00 O ATOM 0 H GLY A 16 -2.806 7.611 -0.595 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -4.689 6.018 -1.939 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -4.973 7.033 -0.539 1.00 0.00 H new ATOM 218 N GLY A 17 -6.537 7.516 -2.887 1.00 0.00 N ATOM 219 CA GLY A 17 -7.389 8.347 -3.718 1.00 0.00 C ATOM 220 C GLY A 17 -8.859 8.014 -3.558 1.00 0.00 C ATOM 221 O GLY A 17 -9.302 7.627 -2.475 1.00 0.00 O ATOM 0 H GLY A 17 -6.893 6.576 -2.714 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -7.228 9.395 -3.465 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -7.104 8.224 -4.763 1.00 0.00 H new ATOM 225 N THR A 18 -9.620 8.165 -4.637 1.00 0.00 N ATOM 226 CA THR A 18 -11.049 7.881 -4.611 1.00 0.00 C ATOM 227 C THR A 18 -11.494 7.183 -5.891 1.00 0.00 C ATOM 228 O THR A 18 -11.417 7.752 -6.980 1.00 0.00 O ATOM 229 CB THR A 18 -11.875 9.168 -4.428 1.00 0.00 C ATOM 230 OG1 THR A 18 -11.280 9.992 -3.419 1.00 0.00 O ATOM 231 CG2 THR A 18 -13.309 8.840 -4.042 1.00 0.00 C ATOM 0 H THR A 18 -9.270 8.483 -5.541 1.00 0.00 H new ATOM 0 HA THR A 18 -11.224 7.222 -3.761 1.00 0.00 H new ATOM 0 HB THR A 18 -11.885 9.706 -5.376 1.00 0.00 H new ATOM 0 HG1 THR A 18 -11.810 10.809 -3.309 1.00 0.00 H new ATOM 0 HG21 THR A 18 -13.873 9.764 -3.918 1.00 0.00 H new ATOM 0 HG22 THR A 18 -13.768 8.237 -4.826 1.00 0.00 H new ATOM 0 HG23 THR A 18 -13.315 8.283 -3.105 1.00 0.00 H new ATOM 239 N VAL A 19 -11.961 5.945 -5.753 1.00 0.00 N ATOM 240 CA VAL A 19 -12.420 5.170 -6.899 1.00 0.00 C ATOM 241 C VAL A 19 -13.930 4.967 -6.855 1.00 0.00 C ATOM 242 O VAL A 19 -14.504 4.720 -5.794 1.00 0.00 O ATOM 243 CB VAL A 19 -11.729 3.794 -6.959 1.00 0.00 C ATOM 244 CG1 VAL A 19 -12.069 2.972 -5.725 1.00 0.00 C ATOM 245 CG2 VAL A 19 -12.126 3.055 -8.228 1.00 0.00 C ATOM 0 H VAL A 19 -12.031 5.458 -4.859 1.00 0.00 H new ATOM 0 HA VAL A 19 -12.159 5.739 -7.791 1.00 0.00 H new ATOM 0 HB VAL A 19 -10.650 3.948 -6.977 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -11.572 2.004 -5.785 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -11.731 3.499 -4.833 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -13.148 2.824 -5.672 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -11.629 2.085 -8.255 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -13.206 2.910 -8.242 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -11.827 3.640 -9.098 1.00 0.00 H new ATOM 255 N LYS A 20 -14.570 5.071 -8.015 1.00 0.00 N ATOM 256 CA LYS A 20 -16.014 4.897 -8.111 1.00 0.00 C ATOM 257 C LYS A 20 -16.396 3.428 -7.965 1.00 0.00 C ATOM 258 O LYS A 20 -15.609 2.537 -8.282 1.00 0.00 O ATOM 259 CB LYS A 20 -16.526 5.437 -9.448 1.00 0.00 C ATOM 260 CG LYS A 20 -18.008 5.770 -9.443 1.00 0.00 C ATOM 261 CD LYS A 20 -18.308 6.968 -8.558 1.00 0.00 C ATOM 262 CE LYS A 20 -17.819 8.263 -9.187 1.00 0.00 C ATOM 263 NZ LYS A 20 -18.698 8.703 -10.306 1.00 0.00 N ATOM 0 H LYS A 20 -14.110 5.275 -8.902 1.00 0.00 H new ATOM 0 HA LYS A 20 -16.477 5.457 -7.299 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -15.962 6.333 -9.708 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -16.331 4.700 -10.227 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -18.339 5.977 -10.461 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -18.574 4.907 -9.093 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -19.382 7.031 -8.381 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -17.833 6.832 -7.587 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -17.780 9.044 -8.427 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -16.802 8.126 -9.556 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -18.391 9.638 -10.641 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -18.636 8.018 -11.086 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -19.682 8.760 -9.973 1.00 0.00 H new ATOM 277 N VAL A 21 -17.611 3.182 -7.483 1.00 0.00 N ATOM 278 CA VAL A 21 -18.098 1.820 -7.297 1.00 0.00 C ATOM 279 C VAL A 21 -18.130 1.063 -8.620 1.00 0.00 C ATOM 280 O VAL A 21 -18.827 1.454 -9.555 1.00 0.00 O ATOM 281 CB VAL A 21 -19.508 1.808 -6.678 1.00 0.00 C ATOM 282 CG1 VAL A 21 -20.061 0.392 -6.634 1.00 0.00 C ATOM 283 CG2 VAL A 21 -19.483 2.423 -5.286 1.00 0.00 C ATOM 0 H VAL A 21 -18.275 3.908 -7.215 1.00 0.00 H new ATOM 0 HA VAL A 21 -17.405 1.326 -6.615 1.00 0.00 H new ATOM 0 HB VAL A 21 -20.166 2.409 -7.305 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -21.058 0.404 -6.193 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -20.117 -0.009 -7.646 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -19.405 -0.236 -6.031 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -20.487 2.407 -4.863 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -18.811 1.850 -4.647 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -19.133 3.453 -5.350 1.00 0.00 H new ATOM 293 N GLY A 22 -17.370 -0.026 -8.691 1.00 0.00 N ATOM 294 CA GLY A 22 -17.326 -0.822 -9.903 1.00 0.00 C ATOM 295 C GLY A 22 -16.116 -0.507 -10.760 1.00 0.00 C ATOM 296 O GLY A 22 -15.748 -1.289 -11.637 1.00 0.00 O ATOM 0 H GLY A 22 -16.784 -0.371 -7.930 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -17.315 -1.880 -9.639 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -18.233 -0.647 -10.482 1.00 0.00 H new ATOM 300 N GLU A 23 -15.497 0.642 -10.508 1.00 0.00 N ATOM 301 CA GLU A 23 -14.323 1.059 -11.265 1.00 0.00 C ATOM 302 C GLU A 23 -13.086 0.283 -10.822 1.00 0.00 C ATOM 303 O GLU A 23 -13.163 -0.587 -9.955 1.00 0.00 O ATOM 304 CB GLU A 23 -14.085 2.561 -11.094 1.00 0.00 C ATOM 305 CG GLU A 23 -14.720 3.406 -12.186 1.00 0.00 C ATOM 306 CD GLU A 23 -16.235 3.372 -12.142 1.00 0.00 C ATOM 307 OE1 GLU A 23 -16.791 2.445 -11.517 1.00 0.00 O ATOM 308 OE2 GLU A 23 -16.865 4.274 -12.734 1.00 0.00 O ATOM 0 H GLU A 23 -15.789 1.300 -9.786 1.00 0.00 H new ATOM 0 HA GLU A 23 -14.507 0.845 -12.318 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -14.479 2.875 -10.128 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -13.012 2.751 -11.077 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -14.380 4.437 -12.086 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -14.380 3.051 -13.159 1.00 0.00 H new ATOM 315 N ASP A 24 -11.946 0.605 -11.425 1.00 0.00 N ATOM 316 CA ASP A 24 -10.692 -0.061 -11.093 1.00 0.00 C ATOM 317 C ASP A 24 -9.601 0.960 -10.782 1.00 0.00 C ATOM 318 O ASP A 24 -9.404 1.919 -11.528 1.00 0.00 O ATOM 319 CB ASP A 24 -10.249 -0.964 -12.245 1.00 0.00 C ATOM 320 CG ASP A 24 -9.578 -0.190 -13.362 1.00 0.00 C ATOM 321 OD1 ASP A 24 -10.279 0.569 -14.062 1.00 0.00 O ATOM 322 OD2 ASP A 24 -8.350 -0.344 -13.537 1.00 0.00 O ATOM 0 H ASP A 24 -11.865 1.322 -12.145 1.00 0.00 H new ATOM 0 HA ASP A 24 -10.857 -0.672 -10.206 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -9.561 -1.720 -11.866 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -11.116 -1.492 -12.643 1.00 0.00 H new ATOM 327 N ILE A 25 -8.896 0.746 -9.676 1.00 0.00 N ATOM 328 CA ILE A 25 -7.826 1.647 -9.267 1.00 0.00 C ATOM 329 C ILE A 25 -6.547 0.876 -8.956 1.00 0.00 C ATOM 330 O ILE A 25 -6.590 -0.301 -8.596 1.00 0.00 O ATOM 331 CB ILE A 25 -8.227 2.473 -8.030 1.00 0.00 C ATOM 332 CG1 ILE A 25 -7.152 3.514 -7.714 1.00 0.00 C ATOM 333 CG2 ILE A 25 -8.456 1.560 -6.835 1.00 0.00 C ATOM 334 CD1 ILE A 25 -7.678 4.718 -6.965 1.00 0.00 C ATOM 0 H ILE A 25 -9.047 -0.043 -9.048 1.00 0.00 H new ATOM 0 HA ILE A 25 -7.646 2.323 -10.103 1.00 0.00 H new ATOM 0 HB ILE A 25 -9.159 2.995 -8.247 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -6.365 3.044 -7.124 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -6.695 3.847 -8.646 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -8.739 2.158 -5.969 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -9.254 0.854 -7.064 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -7.540 1.013 -6.614 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -6.861 5.414 -6.775 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -8.444 5.212 -7.563 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -8.109 4.397 -6.017 1.00 0.00 H new ATOM 346 N THR A 26 -5.409 1.548 -9.096 1.00 0.00 N ATOM 347 CA THR A 26 -4.117 0.928 -8.830 1.00 0.00 C ATOM 348 C THR A 26 -3.224 1.849 -8.007 1.00 0.00 C ATOM 349 O THR A 26 -3.039 3.018 -8.348 1.00 0.00 O ATOM 350 CB THR A 26 -3.391 0.560 -10.137 1.00 0.00 C ATOM 351 OG1 THR A 26 -4.324 0.025 -11.083 1.00 0.00 O ATOM 352 CG2 THR A 26 -2.288 -0.455 -9.877 1.00 0.00 C ATOM 0 H THR A 26 -5.356 2.523 -9.392 1.00 0.00 H new ATOM 0 HA THR A 26 -4.314 0.017 -8.264 1.00 0.00 H new ATOM 0 HB THR A 26 -2.941 1.466 -10.543 1.00 0.00 H new ATOM 0 HG1 THR A 26 -3.854 -0.205 -11.912 1.00 0.00 H new ATOM 0 HG21 THR A 26 -1.790 -0.699 -10.815 1.00 0.00 H new ATOM 0 HG22 THR A 26 -1.563 -0.034 -9.180 1.00 0.00 H new ATOM 0 HG23 THR A 26 -2.720 -1.360 -9.449 1.00 0.00 H new ATOM 360 N PHE A 27 -2.670 1.316 -6.923 1.00 0.00 N ATOM 361 CA PHE A 27 -1.795 2.091 -6.052 1.00 0.00 C ATOM 362 C PHE A 27 -0.330 1.750 -6.309 1.00 0.00 C ATOM 363 O PHE A 27 0.029 0.582 -6.460 1.00 0.00 O ATOM 364 CB PHE A 27 -2.141 1.830 -4.584 1.00 0.00 C ATOM 365 CG PHE A 27 -3.568 2.145 -4.239 1.00 0.00 C ATOM 366 CD1 PHE A 27 -3.937 3.428 -3.866 1.00 0.00 C ATOM 367 CD2 PHE A 27 -4.541 1.160 -4.289 1.00 0.00 C ATOM 368 CE1 PHE A 27 -5.250 3.721 -3.547 1.00 0.00 C ATOM 369 CE2 PHE A 27 -5.855 1.447 -3.971 1.00 0.00 C ATOM 370 CZ PHE A 27 -6.210 2.729 -3.601 1.00 0.00 C ATOM 0 H PHE A 27 -2.812 0.350 -6.627 1.00 0.00 H new ATOM 0 HA PHE A 27 -1.948 3.148 -6.272 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -1.942 0.783 -4.353 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -1.483 2.427 -3.952 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -3.191 4.207 -3.824 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -4.269 0.156 -4.580 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -5.525 4.724 -3.256 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -6.603 0.669 -4.012 1.00 0.00 H new ATOM 0 HZ PHE A 27 -7.237 2.956 -3.354 1.00 0.00 H new ATOM 380 N ILE A 28 0.510 2.778 -6.359 1.00 0.00 N ATOM 381 CA ILE A 28 1.935 2.588 -6.597 1.00 0.00 C ATOM 382 C ILE A 28 2.721 2.627 -5.291 1.00 0.00 C ATOM 383 O ILE A 28 2.622 3.583 -4.523 1.00 0.00 O ATOM 384 CB ILE A 28 2.494 3.660 -7.552 1.00 0.00 C ATOM 385 CG1 ILE A 28 1.908 3.482 -8.953 1.00 0.00 C ATOM 386 CG2 ILE A 28 4.013 3.591 -7.594 1.00 0.00 C ATOM 387 CD1 ILE A 28 2.284 2.169 -9.603 1.00 0.00 C ATOM 0 H ILE A 28 0.228 3.751 -6.238 1.00 0.00 H new ATOM 0 HA ILE A 28 2.050 1.607 -7.058 1.00 0.00 H new ATOM 0 HB ILE A 28 2.205 4.643 -7.181 1.00 0.00 H new ATOM 0 HG12 ILE A 28 0.822 3.552 -8.895 1.00 0.00 H new ATOM 0 HG13 ILE A 28 2.247 4.302 -9.587 1.00 0.00 H new ATOM 0 HG21 ILE A 28 4.393 4.354 -8.273 1.00 0.00 H new ATOM 0 HG22 ILE A 28 4.413 3.763 -6.595 1.00 0.00 H new ATOM 0 HG23 ILE A 28 4.323 2.607 -7.945 1.00 0.00 H new ATOM 0 HD11 ILE A 28 1.834 2.111 -10.594 1.00 0.00 H new ATOM 0 HD12 ILE A 28 3.368 2.105 -9.693 1.00 0.00 H new ATOM 0 HD13 ILE A 28 1.921 1.343 -8.991 1.00 0.00 H new ATOM 399 N ALA A 29 3.505 1.581 -5.047 1.00 0.00 N ATOM 400 CA ALA A 29 4.311 1.497 -3.836 1.00 0.00 C ATOM 401 C ALA A 29 5.591 0.706 -4.083 1.00 0.00 C ATOM 402 O ALA A 29 5.552 -0.505 -4.304 1.00 0.00 O ATOM 403 CB ALA A 29 3.507 0.866 -2.709 1.00 0.00 C ATOM 0 H ALA A 29 3.598 0.781 -5.672 1.00 0.00 H new ATOM 0 HA ALA A 29 4.591 2.509 -3.544 1.00 0.00 H new ATOM 0 HB1 ALA A 29 4.122 0.810 -1.811 1.00 0.00 H new ATOM 0 HB2 ALA A 29 2.625 1.473 -2.507 1.00 0.00 H new ATOM 0 HB3 ALA A 29 3.198 -0.138 -3.000 1.00 0.00 H new ATOM 409 N LYS A 30 6.725 1.397 -4.043 1.00 0.00 N ATOM 410 CA LYS A 30 8.018 0.759 -4.262 1.00 0.00 C ATOM 411 C LYS A 30 8.988 1.094 -3.133 1.00 0.00 C ATOM 412 O LYS A 30 8.998 2.214 -2.621 1.00 0.00 O ATOM 413 CB LYS A 30 8.608 1.201 -5.603 1.00 0.00 C ATOM 414 CG LYS A 30 9.443 2.467 -5.512 1.00 0.00 C ATOM 415 CD LYS A 30 9.610 3.123 -6.872 1.00 0.00 C ATOM 416 CE LYS A 30 8.267 3.369 -7.542 1.00 0.00 C ATOM 417 NZ LYS A 30 8.304 4.555 -8.441 1.00 0.00 N ATOM 0 H LYS A 30 6.775 2.399 -3.861 1.00 0.00 H new ATOM 0 HA LYS A 30 7.864 -0.320 -4.278 1.00 0.00 H new ATOM 0 HB2 LYS A 30 9.226 0.396 -6.002 1.00 0.00 H new ATOM 0 HB3 LYS A 30 7.796 1.361 -6.313 1.00 0.00 H new ATOM 0 HG2 LYS A 30 8.969 3.168 -4.825 1.00 0.00 H new ATOM 0 HG3 LYS A 30 10.423 2.229 -5.099 1.00 0.00 H new ATOM 0 HD2 LYS A 30 10.139 4.069 -6.758 1.00 0.00 H new ATOM 0 HD3 LYS A 30 10.225 2.488 -7.510 1.00 0.00 H new ATOM 0 HE2 LYS A 30 7.981 2.487 -8.116 1.00 0.00 H new ATOM 0 HE3 LYS A 30 7.502 3.515 -6.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 7.370 4.689 -8.878 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 8.552 5.401 -7.890 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 9.016 4.405 -9.184 1.00 0.00 H new ATOM 431 N VAL A 31 9.803 0.116 -2.749 1.00 0.00 N ATOM 432 CA VAL A 31 10.778 0.308 -1.683 1.00 0.00 C ATOM 433 C VAL A 31 12.202 0.278 -2.228 1.00 0.00 C ATOM 434 O VAL A 31 12.485 -0.396 -3.218 1.00 0.00 O ATOM 435 CB VAL A 31 10.635 -0.769 -0.591 1.00 0.00 C ATOM 436 CG1 VAL A 31 11.266 -2.076 -1.045 1.00 0.00 C ATOM 437 CG2 VAL A 31 11.258 -0.291 0.712 1.00 0.00 C ATOM 0 H VAL A 31 9.807 -0.817 -3.161 1.00 0.00 H new ATOM 0 HA VAL A 31 10.580 1.287 -1.246 1.00 0.00 H new ATOM 0 HB VAL A 31 9.574 -0.947 -0.416 1.00 0.00 H new ATOM 0 HG11 VAL A 31 11.155 -2.825 -0.261 1.00 0.00 H new ATOM 0 HG12 VAL A 31 10.770 -2.424 -1.951 1.00 0.00 H new ATOM 0 HG13 VAL A 31 12.325 -1.917 -1.248 1.00 0.00 H new ATOM 0 HG21 VAL A 31 11.148 -1.064 1.473 1.00 0.00 H new ATOM 0 HG22 VAL A 31 12.317 -0.084 0.555 1.00 0.00 H new ATOM 0 HG23 VAL A 31 10.756 0.618 1.043 1.00 0.00 H new ATOM 447 N LYS A 32 13.095 1.013 -1.574 1.00 0.00 N ATOM 448 CA LYS A 32 14.492 1.070 -1.991 1.00 0.00 C ATOM 449 C LYS A 32 15.230 -0.206 -1.597 1.00 0.00 C ATOM 450 O LYS A 32 15.110 -0.679 -0.467 1.00 0.00 O ATOM 451 CB LYS A 32 15.182 2.285 -1.367 1.00 0.00 C ATOM 452 CG LYS A 32 16.457 2.694 -2.084 1.00 0.00 C ATOM 453 CD LYS A 32 16.159 3.534 -3.315 1.00 0.00 C ATOM 454 CE LYS A 32 17.217 3.342 -4.390 1.00 0.00 C ATOM 455 NZ LYS A 32 18.340 4.309 -4.243 1.00 0.00 N ATOM 0 H LYS A 32 12.877 1.578 -0.753 1.00 0.00 H new ATOM 0 HA LYS A 32 14.518 1.163 -3.077 1.00 0.00 H new ATOM 0 HB2 LYS A 32 14.489 3.126 -1.367 1.00 0.00 H new ATOM 0 HB3 LYS A 32 15.415 2.065 -0.325 1.00 0.00 H new ATOM 0 HG2 LYS A 32 17.094 3.258 -1.403 1.00 0.00 H new ATOM 0 HG3 LYS A 32 17.013 1.803 -2.376 1.00 0.00 H new ATOM 0 HD2 LYS A 32 15.181 3.264 -3.713 1.00 0.00 H new ATOM 0 HD3 LYS A 32 16.110 4.586 -3.035 1.00 0.00 H new ATOM 0 HE2 LYS A 32 17.605 2.325 -4.340 1.00 0.00 H new ATOM 0 HE3 LYS A 32 16.762 3.461 -5.373 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 19.040 4.145 -4.995 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 17.974 5.280 -4.316 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 18.791 4.178 -3.315 1.00 0.00 H new ATOM 469 N ALA A 33 15.993 -0.756 -2.535 1.00 0.00 N ATOM 470 CA ALA A 33 16.753 -1.974 -2.284 1.00 0.00 C ATOM 471 C ALA A 33 18.200 -1.823 -2.742 1.00 0.00 C ATOM 472 O ALA A 33 18.527 -0.914 -3.504 1.00 0.00 O ATOM 473 CB ALA A 33 16.098 -3.158 -2.979 1.00 0.00 C ATOM 0 H ALA A 33 16.101 -0.377 -3.476 1.00 0.00 H new ATOM 0 HA ALA A 33 16.757 -2.155 -1.209 1.00 0.00 H new ATOM 0 HB1 ALA A 33 16.677 -4.061 -2.783 1.00 0.00 H new ATOM 0 HB2 ALA A 33 15.084 -3.287 -2.600 1.00 0.00 H new ATOM 0 HB3 ALA A 33 16.063 -2.976 -4.053 1.00 0.00 H new ATOM 479 N GLU A 34 19.061 -2.720 -2.272 1.00 0.00 N ATOM 480 CA GLU A 34 20.473 -2.684 -2.634 1.00 0.00 C ATOM 481 C GLU A 34 20.963 -4.067 -3.055 1.00 0.00 C ATOM 482 O GLU A 34 21.611 -4.219 -4.090 1.00 0.00 O ATOM 483 CB GLU A 34 21.310 -2.170 -1.460 1.00 0.00 C ATOM 484 CG GLU A 34 20.958 -0.755 -1.035 1.00 0.00 C ATOM 485 CD GLU A 34 21.946 -0.182 -0.038 1.00 0.00 C ATOM 486 OE1 GLU A 34 22.997 0.333 -0.474 1.00 0.00 O ATOM 487 OE2 GLU A 34 21.669 -0.249 1.178 1.00 0.00 O ATOM 0 H GLU A 34 18.806 -3.479 -1.641 1.00 0.00 H new ATOM 0 HA GLU A 34 20.588 -2.005 -3.479 1.00 0.00 H new ATOM 0 HB2 GLU A 34 21.178 -2.839 -0.610 1.00 0.00 H new ATOM 0 HB3 GLU A 34 22.365 -2.207 -1.733 1.00 0.00 H new ATOM 0 HG2 GLU A 34 20.923 -0.113 -1.915 1.00 0.00 H new ATOM 0 HG3 GLU A 34 19.960 -0.749 -0.596 1.00 0.00 H new ATOM 494 N ASP A 35 20.649 -5.071 -2.244 1.00 0.00 N ATOM 495 CA ASP A 35 21.055 -6.442 -2.531 1.00 0.00 C ATOM 496 C ASP A 35 20.004 -7.155 -3.376 1.00 0.00 C ATOM 497 O ASP A 35 18.852 -6.724 -3.446 1.00 0.00 O ATOM 498 CB ASP A 35 21.289 -7.210 -1.230 1.00 0.00 C ATOM 499 CG ASP A 35 21.673 -8.657 -1.472 1.00 0.00 C ATOM 500 OD1 ASP A 35 22.711 -8.893 -2.124 1.00 0.00 O ATOM 501 OD2 ASP A 35 20.934 -9.553 -1.012 1.00 0.00 O ATOM 0 H ASP A 35 20.114 -4.961 -1.382 1.00 0.00 H new ATOM 0 HA ASP A 35 21.987 -6.408 -3.096 1.00 0.00 H new ATOM 0 HB2 ASP A 35 22.077 -6.719 -0.658 1.00 0.00 H new ATOM 0 HB3 ASP A 35 20.385 -7.174 -0.623 1.00 0.00 H new ATOM 506 N LEU A 36 20.407 -8.246 -4.016 1.00 0.00 N ATOM 507 CA LEU A 36 19.500 -9.019 -4.858 1.00 0.00 C ATOM 508 C LEU A 36 19.070 -10.304 -4.158 1.00 0.00 C ATOM 509 O LEU A 36 17.911 -10.711 -4.243 1.00 0.00 O ATOM 510 CB LEU A 36 20.170 -9.351 -6.193 1.00 0.00 C ATOM 511 CG LEU A 36 20.832 -8.181 -6.921 1.00 0.00 C ATOM 512 CD1 LEU A 36 21.447 -8.647 -8.231 1.00 0.00 C ATOM 513 CD2 LEU A 36 19.825 -7.068 -7.169 1.00 0.00 C ATOM 0 H LEU A 36 21.356 -8.616 -3.968 1.00 0.00 H new ATOM 0 HA LEU A 36 18.613 -8.414 -5.045 1.00 0.00 H new ATOM 0 HB2 LEU A 36 20.925 -10.117 -6.017 1.00 0.00 H new ATOM 0 HB3 LEU A 36 19.421 -9.787 -6.854 1.00 0.00 H new ATOM 0 HG LEU A 36 21.628 -7.789 -6.288 1.00 0.00 H new ATOM 0 HD11 LEU A 36 21.914 -7.801 -8.735 1.00 0.00 H new ATOM 0 HD12 LEU A 36 22.200 -9.409 -8.029 1.00 0.00 H new ATOM 0 HD13 LEU A 36 20.669 -9.066 -8.869 1.00 0.00 H new ATOM 0 HD21 LEU A 36 20.314 -6.244 -7.688 1.00 0.00 H new ATOM 0 HD22 LEU A 36 19.007 -7.447 -7.781 1.00 0.00 H new ATOM 0 HD23 LEU A 36 19.432 -6.714 -6.216 1.00 0.00 H new ATOM 525 N LEU A 37 20.010 -10.937 -3.465 1.00 0.00 N ATOM 526 CA LEU A 37 19.728 -12.176 -2.748 1.00 0.00 C ATOM 527 C LEU A 37 18.506 -12.018 -1.849 1.00 0.00 C ATOM 528 O LEU A 37 17.635 -12.888 -1.811 1.00 0.00 O ATOM 529 CB LEU A 37 20.940 -12.591 -1.911 1.00 0.00 C ATOM 530 CG LEU A 37 22.110 -13.203 -2.683 1.00 0.00 C ATOM 531 CD1 LEU A 37 21.682 -14.491 -3.368 1.00 0.00 C ATOM 532 CD2 LEU A 37 22.655 -12.211 -3.700 1.00 0.00 C ATOM 0 H LEU A 37 20.974 -10.613 -3.384 1.00 0.00 H new ATOM 0 HA LEU A 37 19.518 -12.953 -3.483 1.00 0.00 H new ATOM 0 HB2 LEU A 37 21.303 -11.715 -1.374 1.00 0.00 H new ATOM 0 HB3 LEU A 37 20.610 -13.310 -1.161 1.00 0.00 H new ATOM 0 HG LEU A 37 22.904 -13.439 -1.975 1.00 0.00 H new ATOM 0 HD11 LEU A 37 22.527 -14.912 -3.912 1.00 0.00 H new ATOM 0 HD12 LEU A 37 21.341 -15.205 -2.619 1.00 0.00 H new ATOM 0 HD13 LEU A 37 20.871 -14.280 -4.065 1.00 0.00 H new ATOM 0 HD21 LEU A 37 23.487 -12.663 -4.240 1.00 0.00 H new ATOM 0 HD22 LEU A 37 21.868 -11.943 -4.405 1.00 0.00 H new ATOM 0 HD23 LEU A 37 23.001 -11.315 -3.185 1.00 0.00 H new ATOM 544 N ARG A 38 18.446 -10.902 -1.130 1.00 0.00 N ATOM 545 CA ARG A 38 17.330 -10.630 -0.233 1.00 0.00 C ATOM 546 C ARG A 38 16.174 -9.977 -0.985 1.00 0.00 C ATOM 547 O ARG A 38 16.372 -9.354 -2.028 1.00 0.00 O ATOM 548 CB ARG A 38 17.780 -9.727 0.917 1.00 0.00 C ATOM 549 CG ARG A 38 18.919 -10.307 1.738 1.00 0.00 C ATOM 550 CD ARG A 38 18.417 -11.341 2.735 1.00 0.00 C ATOM 551 NE ARG A 38 18.143 -12.626 2.098 1.00 0.00 N ATOM 552 CZ ARG A 38 17.331 -13.543 2.613 1.00 0.00 C ATOM 553 NH1 ARG A 38 16.716 -13.316 3.766 1.00 0.00 N ATOM 554 NH2 ARG A 38 17.132 -14.689 1.975 1.00 0.00 N ATOM 0 H ARG A 38 19.158 -10.171 -1.151 1.00 0.00 H new ATOM 0 HA ARG A 38 16.985 -11.580 0.174 1.00 0.00 H new ATOM 0 HB2 ARG A 38 18.090 -8.764 0.511 1.00 0.00 H new ATOM 0 HB3 ARG A 38 16.930 -9.538 1.573 1.00 0.00 H new ATOM 0 HG2 ARG A 38 19.651 -10.766 1.073 1.00 0.00 H new ATOM 0 HG3 ARG A 38 19.430 -9.505 2.270 1.00 0.00 H new ATOM 0 HD2 ARG A 38 19.160 -11.477 3.521 1.00 0.00 H new ATOM 0 HD3 ARG A 38 17.510 -10.973 3.214 1.00 0.00 H new ATOM 0 HE ARG A 38 18.600 -12.831 1.209 1.00 0.00 H new ATOM 0 HH11 ARG A 38 16.866 -12.436 4.259 1.00 0.00 H new ATOM 0 HH12 ARG A 38 16.093 -14.021 4.159 1.00 0.00 H new ATOM 0 HH21 ARG A 38 17.603 -14.867 1.088 1.00 0.00 H new ATOM 0 HH22 ARG A 38 16.508 -15.392 2.372 1.00 0.00 H new ATOM 568 N LYS A 39 14.967 -10.125 -0.449 1.00 0.00 N ATOM 569 CA LYS A 39 13.779 -9.550 -1.068 1.00 0.00 C ATOM 570 C LYS A 39 12.791 -9.072 -0.009 1.00 0.00 C ATOM 571 O LYS A 39 12.303 -9.847 0.814 1.00 0.00 O ATOM 572 CB LYS A 39 13.107 -10.577 -1.982 1.00 0.00 C ATOM 573 CG LYS A 39 11.758 -10.126 -2.515 1.00 0.00 C ATOM 574 CD LYS A 39 10.941 -11.300 -3.030 1.00 0.00 C ATOM 575 CE LYS A 39 11.532 -11.871 -4.309 1.00 0.00 C ATOM 576 NZ LYS A 39 10.525 -12.644 -5.088 1.00 0.00 N ATOM 0 H LYS A 39 14.786 -10.639 0.413 1.00 0.00 H new ATOM 0 HA LYS A 39 14.089 -8.691 -1.663 1.00 0.00 H new ATOM 0 HB2 LYS A 39 13.768 -10.790 -2.822 1.00 0.00 H new ATOM 0 HB3 LYS A 39 12.978 -11.510 -1.433 1.00 0.00 H new ATOM 0 HG2 LYS A 39 11.206 -9.616 -1.726 1.00 0.00 H new ATOM 0 HG3 LYS A 39 11.906 -9.404 -3.318 1.00 0.00 H new ATOM 0 HD2 LYS A 39 10.900 -12.078 -2.268 1.00 0.00 H new ATOM 0 HD3 LYS A 39 9.916 -10.979 -3.213 1.00 0.00 H new ATOM 0 HE2 LYS A 39 11.921 -11.059 -4.923 1.00 0.00 H new ATOM 0 HE3 LYS A 39 12.375 -12.517 -4.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 10.967 -13.017 -5.953 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 10.172 -13.434 -4.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 9.732 -12.022 -5.345 1.00 0.00 H new ATOM 590 N PRO A 40 12.487 -7.766 -0.029 1.00 0.00 N ATOM 591 CA PRO A 40 11.552 -7.156 0.922 1.00 0.00 C ATOM 592 C PRO A 40 10.112 -7.596 0.683 1.00 0.00 C ATOM 593 O PRO A 40 9.600 -7.501 -0.433 1.00 0.00 O ATOM 594 CB PRO A 40 11.705 -5.656 0.657 1.00 0.00 C ATOM 595 CG PRO A 40 12.177 -5.567 -0.753 1.00 0.00 C ATOM 596 CD PRO A 40 13.030 -6.784 -0.982 1.00 0.00 C ATOM 0 HA PRO A 40 11.770 -7.445 1.950 1.00 0.00 H new ATOM 0 HB2 PRO A 40 10.759 -5.132 0.792 1.00 0.00 H new ATOM 0 HB3 PRO A 40 12.421 -5.204 1.343 1.00 0.00 H new ATOM 0 HG2 PRO A 40 11.336 -5.544 -1.445 1.00 0.00 H new ATOM 0 HG3 PRO A 40 12.749 -4.653 -0.916 1.00 0.00 H new ATOM 0 HD2 PRO A 40 12.956 -7.139 -2.010 1.00 0.00 H new ATOM 0 HD3 PRO A 40 14.083 -6.578 -0.791 1.00 0.00 H new ATOM 604 N THR A 41 9.462 -8.078 1.738 1.00 0.00 N ATOM 605 CA THR A 41 8.081 -8.533 1.642 1.00 0.00 C ATOM 606 C THR A 41 7.106 -7.387 1.885 1.00 0.00 C ATOM 607 O THR A 41 7.348 -6.523 2.729 1.00 0.00 O ATOM 608 CB THR A 41 7.790 -9.662 2.649 1.00 0.00 C ATOM 609 OG1 THR A 41 8.716 -10.738 2.460 1.00 0.00 O ATOM 610 CG2 THR A 41 6.367 -10.176 2.490 1.00 0.00 C ATOM 0 H THR A 41 9.870 -8.163 2.669 1.00 0.00 H new ATOM 0 HA THR A 41 7.944 -8.914 0.630 1.00 0.00 H new ATOM 0 HB THR A 41 7.903 -9.259 3.655 1.00 0.00 H new ATOM 0 HG1 THR A 41 8.525 -11.451 3.105 1.00 0.00 H new ATOM 0 HG21 THR A 41 6.185 -10.972 3.212 1.00 0.00 H new ATOM 0 HG22 THR A 41 5.664 -9.361 2.664 1.00 0.00 H new ATOM 0 HG23 THR A 41 6.231 -10.563 1.480 1.00 0.00 H new ATOM 618 N ILE A 42 6.004 -7.385 1.143 1.00 0.00 N ATOM 619 CA ILE A 42 4.992 -6.345 1.280 1.00 0.00 C ATOM 620 C ILE A 42 3.614 -6.949 1.525 1.00 0.00 C ATOM 621 O ILE A 42 3.310 -8.045 1.054 1.00 0.00 O ATOM 622 CB ILE A 42 4.933 -5.449 0.029 1.00 0.00 C ATOM 623 CG1 ILE A 42 3.917 -4.323 0.230 1.00 0.00 C ATOM 624 CG2 ILE A 42 4.580 -6.276 -1.199 1.00 0.00 C ATOM 625 CD1 ILE A 42 4.024 -3.222 -0.802 1.00 0.00 C ATOM 0 H ILE A 42 5.789 -8.092 0.440 1.00 0.00 H new ATOM 0 HA ILE A 42 5.278 -5.737 2.139 1.00 0.00 H new ATOM 0 HB ILE A 42 5.915 -5.003 -0.128 1.00 0.00 H new ATOM 0 HG12 ILE A 42 2.911 -4.742 0.199 1.00 0.00 H new ATOM 0 HG13 ILE A 42 4.054 -3.894 1.223 1.00 0.00 H new ATOM 0 HG21 ILE A 42 4.542 -5.629 -2.075 1.00 0.00 H new ATOM 0 HG22 ILE A 42 5.337 -7.046 -1.349 1.00 0.00 H new ATOM 0 HG23 ILE A 42 3.608 -6.747 -1.053 1.00 0.00 H new ATOM 0 HD11 ILE A 42 3.274 -2.458 -0.598 1.00 0.00 H new ATOM 0 HD12 ILE A 42 5.018 -2.776 -0.757 1.00 0.00 H new ATOM 0 HD13 ILE A 42 3.858 -3.637 -1.796 1.00 0.00 H new ATOM 637 N LYS A 43 2.780 -6.225 2.265 1.00 0.00 N ATOM 638 CA LYS A 43 1.431 -6.686 2.572 1.00 0.00 C ATOM 639 C LYS A 43 0.451 -5.518 2.604 1.00 0.00 C ATOM 640 O LYS A 43 0.756 -4.455 3.144 1.00 0.00 O ATOM 641 CB LYS A 43 1.413 -7.417 3.916 1.00 0.00 C ATOM 642 CG LYS A 43 0.145 -8.218 4.156 1.00 0.00 C ATOM 643 CD LYS A 43 0.292 -9.652 3.678 1.00 0.00 C ATOM 644 CE LYS A 43 0.871 -10.546 4.765 1.00 0.00 C ATOM 645 NZ LYS A 43 -0.074 -10.718 5.903 1.00 0.00 N ATOM 0 H LYS A 43 3.015 -5.316 2.663 1.00 0.00 H new ATOM 0 HA LYS A 43 1.122 -7.375 1.786 1.00 0.00 H new ATOM 0 HB2 LYS A 43 2.271 -8.087 3.967 1.00 0.00 H new ATOM 0 HB3 LYS A 43 1.530 -6.688 4.718 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -0.095 -8.211 5.219 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -0.689 -7.745 3.638 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -0.681 -10.035 3.370 1.00 0.00 H new ATOM 0 HD3 LYS A 43 0.938 -9.680 2.800 1.00 0.00 H new ATOM 0 HE2 LYS A 43 1.112 -11.521 4.343 1.00 0.00 H new ATOM 0 HE3 LYS A 43 1.804 -10.117 5.130 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 0.088 -11.642 6.352 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 0.081 -9.962 6.600 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -1.052 -10.670 5.552 1.00 0.00 H new ATOM 659 N TRP A 44 -0.725 -5.723 2.022 1.00 0.00 N ATOM 660 CA TRP A 44 -1.750 -4.686 1.986 1.00 0.00 C ATOM 661 C TRP A 44 -2.870 -4.993 2.974 1.00 0.00 C ATOM 662 O TRP A 44 -3.370 -6.117 3.032 1.00 0.00 O ATOM 663 CB TRP A 44 -2.322 -4.555 0.573 1.00 0.00 C ATOM 664 CG TRP A 44 -1.288 -4.213 -0.457 1.00 0.00 C ATOM 665 CD1 TRP A 44 -0.419 -5.075 -1.063 1.00 0.00 C ATOM 666 CD2 TRP A 44 -1.013 -2.917 -0.998 1.00 0.00 C ATOM 667 NE1 TRP A 44 0.379 -4.392 -1.949 1.00 0.00 N ATOM 668 CE2 TRP A 44 0.034 -3.067 -1.929 1.00 0.00 C ATOM 669 CE3 TRP A 44 -1.551 -1.644 -0.789 1.00 0.00 C ATOM 670 CZ2 TRP A 44 0.551 -1.992 -2.646 1.00 0.00 C ATOM 671 CZ3 TRP A 44 -1.036 -0.578 -1.502 1.00 0.00 C ATOM 672 CH2 TRP A 44 0.006 -0.757 -2.421 1.00 0.00 C ATOM 0 H TRP A 44 -0.992 -6.597 1.569 1.00 0.00 H new ATOM 0 HA TRP A 44 -1.287 -3.742 2.272 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -2.805 -5.492 0.296 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -3.094 -3.786 0.571 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -0.367 -6.137 -0.874 1.00 0.00 H new ATOM 0 HE1 TRP A 44 1.110 -4.805 -2.528 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -2.355 -1.496 -0.083 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 1.354 -2.128 -3.355 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -1.444 0.410 -1.348 1.00 0.00 H new ATOM 0 HH2 TRP A 44 0.387 0.096 -2.963 1.00 0.00 H new ATOM 683 N PHE A 45 -3.261 -3.987 3.750 1.00 0.00 N ATOM 684 CA PHE A 45 -4.322 -4.151 4.736 1.00 0.00 C ATOM 685 C PHE A 45 -5.364 -3.043 4.604 1.00 0.00 C ATOM 686 O PHE A 45 -5.109 -2.005 3.992 1.00 0.00 O ATOM 687 CB PHE A 45 -3.737 -4.149 6.150 1.00 0.00 C ATOM 688 CG PHE A 45 -3.029 -5.425 6.507 1.00 0.00 C ATOM 689 CD1 PHE A 45 -3.740 -6.523 6.963 1.00 0.00 C ATOM 690 CD2 PHE A 45 -1.652 -5.525 6.387 1.00 0.00 C ATOM 691 CE1 PHE A 45 -3.091 -7.699 7.293 1.00 0.00 C ATOM 692 CE2 PHE A 45 -0.998 -6.698 6.714 1.00 0.00 C ATOM 693 CZ PHE A 45 -1.718 -7.786 7.169 1.00 0.00 C ATOM 0 H PHE A 45 -2.859 -3.050 3.715 1.00 0.00 H new ATOM 0 HA PHE A 45 -4.810 -5.108 4.552 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -3.039 -3.317 6.245 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -4.540 -3.975 6.867 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -4.814 -6.460 7.062 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -1.084 -4.677 6.034 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -3.657 -8.548 7.647 1.00 0.00 H new ATOM 0 HE2 PHE A 45 0.075 -6.764 6.614 1.00 0.00 H new ATOM 0 HZ PHE A 45 -1.208 -8.703 7.427 1.00 0.00 H new ATOM 703 N LYS A 46 -6.539 -3.272 5.180 1.00 0.00 N ATOM 704 CA LYS A 46 -7.620 -2.296 5.128 1.00 0.00 C ATOM 705 C LYS A 46 -8.521 -2.416 6.353 1.00 0.00 C ATOM 706 O LYS A 46 -8.754 -3.513 6.859 1.00 0.00 O ATOM 707 CB LYS A 46 -8.446 -2.486 3.854 1.00 0.00 C ATOM 708 CG LYS A 46 -9.419 -1.351 3.584 1.00 0.00 C ATOM 709 CD LYS A 46 -10.769 -1.608 4.232 1.00 0.00 C ATOM 710 CE LYS A 46 -11.686 -0.401 4.105 1.00 0.00 C ATOM 711 NZ LYS A 46 -13.007 -0.638 4.751 1.00 0.00 N ATOM 0 H LYS A 46 -6.767 -4.126 5.689 1.00 0.00 H new ATOM 0 HA LYS A 46 -7.176 -1.300 5.121 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -7.770 -2.584 3.004 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -9.002 -3.420 3.928 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -9.004 -0.417 3.963 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -9.548 -1.229 2.509 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -11.239 -2.474 3.766 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -10.628 -1.850 5.285 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -11.209 0.467 4.561 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -11.834 -0.167 3.051 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -13.366 0.255 5.145 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -13.679 -1.000 4.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -12.900 -1.335 5.516 1.00 0.00 H new ATOM 725 N GLY A 47 -9.026 -1.280 6.824 1.00 0.00 N ATOM 726 CA GLY A 47 -9.897 -1.280 7.985 1.00 0.00 C ATOM 727 C GLY A 47 -9.156 -1.612 9.265 1.00 0.00 C ATOM 728 O GLY A 47 -8.093 -1.055 9.539 1.00 0.00 O ATOM 0 H GLY A 47 -8.848 -0.360 6.422 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -10.366 -0.301 8.084 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -10.698 -2.004 7.834 1.00 0.00 H new ATOM 732 N LYS A 48 -9.719 -2.522 10.054 1.00 0.00 N ATOM 733 CA LYS A 48 -9.106 -2.928 11.313 1.00 0.00 C ATOM 734 C LYS A 48 -8.458 -4.303 11.184 1.00 0.00 C ATOM 735 O LYS A 48 -7.284 -4.479 11.509 1.00 0.00 O ATOM 736 CB LYS A 48 -10.152 -2.948 12.430 1.00 0.00 C ATOM 737 CG LYS A 48 -9.618 -3.466 13.754 1.00 0.00 C ATOM 738 CD LYS A 48 -10.331 -2.825 14.932 1.00 0.00 C ATOM 739 CE LYS A 48 -11.842 -2.921 14.789 1.00 0.00 C ATOM 740 NZ LYS A 48 -12.549 -2.333 15.960 1.00 0.00 N ATOM 0 H LYS A 48 -10.599 -2.992 9.843 1.00 0.00 H new ATOM 0 HA LYS A 48 -8.331 -2.203 11.562 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -10.538 -1.939 12.573 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -10.992 -3.569 12.119 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -9.741 -4.548 13.798 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -8.549 -3.263 13.820 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -10.020 -3.313 15.856 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -10.038 -1.778 15.010 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -12.154 -2.406 13.880 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -12.130 -3.966 14.678 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -13.577 -2.418 15.824 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -12.271 -2.841 16.824 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -12.294 -1.329 16.051 1.00 0.00 H new ATOM 754 N TRP A 49 -9.230 -5.273 10.707 1.00 0.00 N ATOM 755 CA TRP A 49 -8.730 -6.632 10.534 1.00 0.00 C ATOM 756 C TRP A 49 -8.687 -7.013 9.059 1.00 0.00 C ATOM 757 O TRP A 49 -7.798 -7.744 8.623 1.00 0.00 O ATOM 758 CB TRP A 49 -9.606 -7.622 11.304 1.00 0.00 C ATOM 759 CG TRP A 49 -9.777 -7.265 12.749 1.00 0.00 C ATOM 760 CD1 TRP A 49 -10.819 -6.581 13.307 1.00 0.00 C ATOM 761 CD2 TRP A 49 -8.878 -7.573 13.820 1.00 0.00 C ATOM 762 NE1 TRP A 49 -10.622 -6.444 14.660 1.00 0.00 N ATOM 763 CE2 TRP A 49 -9.438 -7.045 15.000 1.00 0.00 C ATOM 764 CE3 TRP A 49 -7.655 -8.244 13.898 1.00 0.00 C ATOM 765 CZ2 TRP A 49 -8.816 -7.168 16.239 1.00 0.00 C ATOM 766 CZ3 TRP A 49 -7.038 -8.365 15.128 1.00 0.00 C ATOM 767 CH2 TRP A 49 -7.620 -7.831 16.286 1.00 0.00 C ATOM 0 H TRP A 49 -10.204 -5.144 10.433 1.00 0.00 H new ATOM 0 HA TRP A 49 -7.715 -6.672 10.930 1.00 0.00 H new ATOM 0 HB2 TRP A 49 -10.587 -7.672 10.831 1.00 0.00 H new ATOM 0 HB3 TRP A 49 -9.166 -8.617 11.233 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -11.673 -6.203 12.764 1.00 0.00 H new ATOM 0 HE1 TRP A 49 -11.254 -5.972 15.306 1.00 0.00 H new ATOM 0 HE3 TRP A 49 -7.200 -8.661 13.012 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 -9.262 -6.755 17.132 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 -6.091 -8.880 15.199 1.00 0.00 H new ATOM 0 HH2 TRP A 49 -7.115 -7.945 17.234 1.00 0.00 H new ATOM 778 N MET A 50 -9.652 -6.512 8.294 1.00 0.00 N ATOM 779 CA MET A 50 -9.722 -6.799 6.866 1.00 0.00 C ATOM 780 C MET A 50 -8.336 -6.741 6.231 1.00 0.00 C ATOM 781 O MET A 50 -7.719 -5.678 6.162 1.00 0.00 O ATOM 782 CB MET A 50 -10.656 -5.808 6.170 1.00 0.00 C ATOM 783 CG MET A 50 -11.360 -6.387 4.954 1.00 0.00 C ATOM 784 SD MET A 50 -11.994 -5.114 3.846 1.00 0.00 S ATOM 785 CE MET A 50 -10.772 -5.163 2.538 1.00 0.00 C ATOM 0 H MET A 50 -10.396 -5.906 8.639 1.00 0.00 H new ATOM 0 HA MET A 50 -10.117 -7.807 6.743 1.00 0.00 H new ATOM 0 HB2 MET A 50 -11.405 -5.465 6.884 1.00 0.00 H new ATOM 0 HB3 MET A 50 -10.082 -4.933 5.865 1.00 0.00 H new ATOM 0 HG2 MET A 50 -10.666 -7.026 4.408 1.00 0.00 H new ATOM 0 HG3 MET A 50 -12.184 -7.020 5.283 1.00 0.00 H new ATOM 0 HE1 MET A 50 -10.769 -4.211 2.007 1.00 0.00 H new ATOM 0 HE2 MET A 50 -9.786 -5.342 2.968 1.00 0.00 H new ATOM 0 HE3 MET A 50 -11.016 -5.966 1.842 1.00 0.00 H new ATOM 795 N ASP A 51 -7.854 -7.890 5.770 1.00 0.00 N ATOM 796 CA ASP A 51 -6.541 -7.969 5.140 1.00 0.00 C ATOM 797 C ASP A 51 -6.672 -8.197 3.637 1.00 0.00 C ATOM 798 O ASP A 51 -6.914 -9.318 3.187 1.00 0.00 O ATOM 799 CB ASP A 51 -5.717 -9.094 5.769 1.00 0.00 C ATOM 800 CG ASP A 51 -4.456 -9.396 4.984 1.00 0.00 C ATOM 801 OD1 ASP A 51 -3.951 -8.483 4.296 1.00 0.00 O ATOM 802 OD2 ASP A 51 -3.972 -10.545 5.058 1.00 0.00 O ATOM 0 H ASP A 51 -8.352 -8.779 5.821 1.00 0.00 H new ATOM 0 HA ASP A 51 -6.030 -7.020 5.302 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -5.449 -8.818 6.789 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -6.327 -9.995 5.832 1.00 0.00 H new ATOM 807 N LEU A 52 -6.512 -7.127 2.866 1.00 0.00 N ATOM 808 CA LEU A 52 -6.613 -7.210 1.413 1.00 0.00 C ATOM 809 C LEU A 52 -5.806 -8.388 0.877 1.00 0.00 C ATOM 810 O LEU A 52 -6.264 -9.118 -0.001 1.00 0.00 O ATOM 811 CB LEU A 52 -6.125 -5.909 0.773 1.00 0.00 C ATOM 812 CG LEU A 52 -6.708 -4.618 1.349 1.00 0.00 C ATOM 813 CD1 LEU A 52 -6.068 -3.404 0.694 1.00 0.00 C ATOM 814 CD2 LEU A 52 -8.219 -4.588 1.169 1.00 0.00 C ATOM 0 H LEU A 52 -6.312 -6.192 3.222 1.00 0.00 H new ATOM 0 HA LEU A 52 -7.661 -7.364 1.155 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -5.040 -5.867 0.865 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -6.353 -5.944 -0.292 1.00 0.00 H new ATOM 0 HG LEU A 52 -6.488 -4.588 2.416 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -6.496 -2.495 1.117 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -4.993 -3.418 0.874 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -6.256 -3.428 -0.379 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -8.617 -3.662 1.585 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -8.460 -4.642 0.107 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -8.664 -5.438 1.686 1.00 0.00 H new ATOM 826 N ALA A 53 -4.603 -8.566 1.412 1.00 0.00 N ATOM 827 CA ALA A 53 -3.734 -9.657 0.990 1.00 0.00 C ATOM 828 C ALA A 53 -4.525 -10.946 0.797 1.00 0.00 C ATOM 829 O ALA A 53 -4.407 -11.610 -0.234 1.00 0.00 O ATOM 830 CB ALA A 53 -2.620 -9.867 2.005 1.00 0.00 C ATOM 0 H ALA A 53 -4.208 -7.969 2.138 1.00 0.00 H new ATOM 0 HA ALA A 53 -3.292 -9.386 0.031 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -1.978 -10.685 1.677 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -2.030 -8.955 2.091 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -3.053 -10.112 2.975 1.00 0.00 H new ATOM 836 N SER A 54 -5.331 -11.296 1.794 1.00 0.00 N ATOM 837 CA SER A 54 -6.139 -12.508 1.735 1.00 0.00 C ATOM 838 C SER A 54 -7.371 -12.298 0.860 1.00 0.00 C ATOM 839 O SER A 54 -7.876 -13.235 0.241 1.00 0.00 O ATOM 840 CB SER A 54 -6.565 -12.932 3.142 1.00 0.00 C ATOM 841 OG SER A 54 -7.832 -12.392 3.475 1.00 0.00 O ATOM 0 H SER A 54 -5.442 -10.757 2.653 1.00 0.00 H new ATOM 0 HA SER A 54 -5.532 -13.298 1.294 1.00 0.00 H new ATOM 0 HB2 SER A 54 -6.603 -14.020 3.202 1.00 0.00 H new ATOM 0 HB3 SER A 54 -5.822 -12.598 3.866 1.00 0.00 H new ATOM 0 HG SER A 54 -7.783 -11.413 3.467 1.00 0.00 H new ATOM 847 N LYS A 55 -7.851 -11.060 0.813 1.00 0.00 N ATOM 848 CA LYS A 55 -9.024 -10.723 0.014 1.00 0.00 C ATOM 849 C LYS A 55 -8.728 -10.870 -1.475 1.00 0.00 C ATOM 850 O LYS A 55 -9.613 -11.201 -2.264 1.00 0.00 O ATOM 851 CB LYS A 55 -9.478 -9.293 0.316 1.00 0.00 C ATOM 852 CG LYS A 55 -9.790 -9.051 1.782 1.00 0.00 C ATOM 853 CD LYS A 55 -11.047 -9.788 2.214 1.00 0.00 C ATOM 854 CE LYS A 55 -11.546 -9.296 3.564 1.00 0.00 C ATOM 855 NZ LYS A 55 -12.314 -10.346 4.288 1.00 0.00 N ATOM 0 H LYS A 55 -7.446 -10.273 1.319 1.00 0.00 H new ATOM 0 HA LYS A 55 -9.824 -11.415 0.278 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -8.699 -8.599 -0.000 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -10.365 -9.069 -0.277 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -8.948 -9.377 2.393 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -9.916 -7.982 1.957 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -11.826 -9.650 1.465 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -10.843 -10.857 2.268 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -10.698 -8.982 4.172 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -12.177 -8.419 3.420 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -12.637 -9.971 5.203 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -13.138 -10.628 3.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -11.705 -11.173 4.448 1.00 0.00 H new ATOM 869 N ALA A 56 -7.477 -10.624 -1.852 1.00 0.00 N ATOM 870 CA ALA A 56 -7.065 -10.732 -3.246 1.00 0.00 C ATOM 871 C ALA A 56 -7.417 -12.101 -3.818 1.00 0.00 C ATOM 872 O ALA A 56 -6.937 -13.128 -3.339 1.00 0.00 O ATOM 873 CB ALA A 56 -5.571 -10.473 -3.376 1.00 0.00 C ATOM 0 H ALA A 56 -6.732 -10.349 -1.212 1.00 0.00 H new ATOM 0 HA ALA A 56 -7.605 -9.978 -3.818 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -5.277 -10.557 -4.422 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -5.343 -9.471 -3.014 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -5.022 -11.206 -2.785 1.00 0.00 H new ATOM 879 N GLY A 57 -8.261 -12.109 -4.846 1.00 0.00 N ATOM 880 CA GLY A 57 -8.664 -13.358 -5.465 1.00 0.00 C ATOM 881 C GLY A 57 -9.280 -13.153 -6.835 1.00 0.00 C ATOM 882 O GLY A 57 -8.802 -13.703 -7.828 1.00 0.00 O ATOM 0 H GLY A 57 -8.672 -11.273 -5.261 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -7.797 -14.012 -5.554 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -9.381 -13.865 -4.820 1.00 0.00 H new ATOM 886 N LYS A 58 -10.346 -12.362 -6.890 1.00 0.00 N ATOM 887 CA LYS A 58 -11.030 -12.086 -8.148 1.00 0.00 C ATOM 888 C LYS A 58 -11.283 -10.590 -8.312 1.00 0.00 C ATOM 889 O LYS A 58 -10.765 -9.961 -9.235 1.00 0.00 O ATOM 890 CB LYS A 58 -12.356 -12.848 -8.209 1.00 0.00 C ATOM 891 CG LYS A 58 -13.093 -12.681 -9.526 1.00 0.00 C ATOM 892 CD LYS A 58 -14.116 -13.785 -9.737 1.00 0.00 C ATOM 893 CE LYS A 58 -15.444 -13.448 -9.075 1.00 0.00 C ATOM 894 NZ LYS A 58 -16.404 -14.583 -9.148 1.00 0.00 N ATOM 0 H LYS A 58 -10.755 -11.900 -6.078 1.00 0.00 H new ATOM 0 HA LYS A 58 -10.388 -12.420 -8.963 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -12.164 -13.908 -8.041 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -12.999 -12.508 -7.397 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -13.593 -11.712 -9.544 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -12.377 -12.685 -10.348 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -14.270 -13.941 -10.805 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -13.732 -14.721 -9.330 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -15.273 -13.184 -8.031 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -15.879 -12.573 -9.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -17.296 -14.313 -8.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -16.587 -14.819 -10.144 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -16.000 -15.411 -8.665 1.00 0.00 H new ATOM 908 N HIS A 59 -12.083 -10.027 -7.411 1.00 0.00 N ATOM 909 CA HIS A 59 -12.402 -8.605 -7.456 1.00 0.00 C ATOM 910 C HIS A 59 -11.159 -7.760 -7.197 1.00 0.00 C ATOM 911 O HIS A 59 -11.056 -6.627 -7.670 1.00 0.00 O ATOM 912 CB HIS A 59 -13.483 -8.271 -6.428 1.00 0.00 C ATOM 913 CG HIS A 59 -14.858 -8.697 -6.843 1.00 0.00 C ATOM 914 ND1 HIS A 59 -15.866 -7.804 -7.136 1.00 0.00 N ATOM 915 CD2 HIS A 59 -15.388 -9.931 -7.017 1.00 0.00 C ATOM 916 CE1 HIS A 59 -16.958 -8.469 -7.470 1.00 0.00 C ATOM 917 NE2 HIS A 59 -16.694 -9.761 -7.406 1.00 0.00 N ATOM 0 H HIS A 59 -12.521 -10.534 -6.642 1.00 0.00 H new ATOM 0 HA HIS A 59 -12.775 -8.373 -8.454 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -13.233 -8.751 -5.482 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -13.483 -7.196 -6.250 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -14.879 -10.873 -6.876 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -17.905 -8.030 -7.748 1.00 0.00 H new ATOM 0 HE2 HIS A 59 -17.353 -10.511 -7.612 1.00 0.00 H new ATOM 926 N LEU A 60 -10.217 -8.317 -6.443 1.00 0.00 N ATOM 927 CA LEU A 60 -8.980 -7.615 -6.121 1.00 0.00 C ATOM 928 C LEU A 60 -7.767 -8.391 -6.622 1.00 0.00 C ATOM 929 O LEU A 60 -7.769 -9.621 -6.638 1.00 0.00 O ATOM 930 CB LEU A 60 -8.873 -7.398 -4.610 1.00 0.00 C ATOM 931 CG LEU A 60 -7.498 -6.981 -4.088 1.00 0.00 C ATOM 932 CD1 LEU A 60 -7.365 -5.467 -4.083 1.00 0.00 C ATOM 933 CD2 LEU A 60 -7.264 -7.543 -2.693 1.00 0.00 C ATOM 0 H LEU A 60 -10.287 -9.253 -6.043 1.00 0.00 H new ATOM 0 HA LEU A 60 -9.000 -6.647 -6.621 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -9.596 -6.635 -4.321 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -9.165 -8.321 -4.109 1.00 0.00 H new ATOM 0 HG LEU A 60 -6.739 -7.389 -4.755 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -6.380 -5.190 -3.708 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -7.487 -5.088 -5.097 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -8.132 -5.036 -3.440 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -6.280 -7.236 -2.337 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -8.029 -7.165 -2.015 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -7.315 -8.631 -2.726 1.00 0.00 H new ATOM 945 N GLN A 61 -6.732 -7.663 -7.028 1.00 0.00 N ATOM 946 CA GLN A 61 -5.511 -8.284 -7.529 1.00 0.00 C ATOM 947 C GLN A 61 -4.293 -7.421 -7.215 1.00 0.00 C ATOM 948 O GLN A 61 -4.257 -6.235 -7.547 1.00 0.00 O ATOM 949 CB GLN A 61 -5.612 -8.515 -9.037 1.00 0.00 C ATOM 950 CG GLN A 61 -6.723 -9.474 -9.433 1.00 0.00 C ATOM 951 CD GLN A 61 -6.311 -10.928 -9.306 1.00 0.00 C ATOM 952 OE1 GLN A 61 -5.622 -11.468 -10.173 1.00 0.00 O ATOM 953 NE2 GLN A 61 -6.730 -11.570 -8.222 1.00 0.00 N ATOM 0 H GLN A 61 -6.714 -6.643 -7.020 1.00 0.00 H new ATOM 0 HA GLN A 61 -5.391 -9.245 -7.029 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -5.776 -7.558 -9.532 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -4.661 -8.904 -9.401 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -7.596 -9.292 -8.806 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -7.022 -9.273 -10.462 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -7.299 -11.084 -7.529 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -6.483 -12.550 -8.082 1.00 0.00 H new ATOM 962 N LEU A 62 -3.297 -8.022 -6.574 1.00 0.00 N ATOM 963 CA LEU A 62 -2.077 -7.309 -6.214 1.00 0.00 C ATOM 964 C LEU A 62 -0.974 -7.567 -7.236 1.00 0.00 C ATOM 965 O LEU A 62 -0.997 -8.570 -7.950 1.00 0.00 O ATOM 966 CB LEU A 62 -1.607 -7.731 -4.821 1.00 0.00 C ATOM 967 CG LEU A 62 -2.686 -7.795 -3.740 1.00 0.00 C ATOM 968 CD1 LEU A 62 -2.131 -8.419 -2.469 1.00 0.00 C ATOM 969 CD2 LEU A 62 -3.239 -6.406 -3.456 1.00 0.00 C ATOM 0 H LEU A 62 -3.310 -9.002 -6.293 1.00 0.00 H new ATOM 0 HA LEU A 62 -2.298 -6.242 -6.207 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -1.140 -8.713 -4.899 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -0.834 -7.036 -4.494 1.00 0.00 H new ATOM 0 HG LEU A 62 -3.501 -8.422 -4.103 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -2.913 -8.456 -1.711 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -1.783 -9.430 -2.682 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -1.298 -7.819 -2.102 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -4.006 -6.471 -2.684 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -2.433 -5.757 -3.114 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -3.674 -5.995 -4.367 1.00 0.00 H new ATOM 981 N LYS A 63 -0.008 -6.657 -7.299 1.00 0.00 N ATOM 982 CA LYS A 63 1.106 -6.787 -8.230 1.00 0.00 C ATOM 983 C LYS A 63 2.439 -6.589 -7.515 1.00 0.00 C ATOM 984 O LYS A 63 2.520 -5.862 -6.526 1.00 0.00 O ATOM 985 CB LYS A 63 0.970 -5.771 -9.366 1.00 0.00 C ATOM 986 CG LYS A 63 1.503 -6.271 -10.698 1.00 0.00 C ATOM 987 CD LYS A 63 1.166 -5.314 -11.829 1.00 0.00 C ATOM 988 CE LYS A 63 2.160 -5.432 -12.974 1.00 0.00 C ATOM 989 NZ LYS A 63 2.301 -4.151 -13.720 1.00 0.00 N ATOM 0 H LYS A 63 0.026 -5.821 -6.716 1.00 0.00 H new ATOM 0 HA LYS A 63 1.082 -7.794 -8.646 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -0.081 -5.506 -9.481 1.00 0.00 H new ATOM 0 HB3 LYS A 63 1.500 -4.859 -9.092 1.00 0.00 H new ATOM 0 HG2 LYS A 63 2.584 -6.395 -10.635 1.00 0.00 H new ATOM 0 HG3 LYS A 63 1.082 -7.253 -10.914 1.00 0.00 H new ATOM 0 HD2 LYS A 63 0.161 -5.522 -12.196 1.00 0.00 H new ATOM 0 HD3 LYS A 63 1.163 -4.291 -11.453 1.00 0.00 H new ATOM 0 HE2 LYS A 63 3.132 -5.733 -12.582 1.00 0.00 H new ATOM 0 HE3 LYS A 63 1.835 -6.217 -13.658 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 2.987 -4.273 -14.492 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 1.379 -3.876 -14.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 2.635 -3.408 -13.074 1.00 0.00 H new ATOM 1003 N GLU A 64 3.480 -7.241 -8.023 1.00 0.00 N ATOM 1004 CA GLU A 64 4.809 -7.135 -7.431 1.00 0.00 C ATOM 1005 C GLU A 64 5.892 -7.370 -8.480 1.00 0.00 C ATOM 1006 O GLU A 64 5.887 -8.385 -9.178 1.00 0.00 O ATOM 1007 CB GLU A 64 4.964 -8.141 -6.288 1.00 0.00 C ATOM 1008 CG GLU A 64 6.411 -8.447 -5.939 1.00 0.00 C ATOM 1009 CD GLU A 64 6.546 -9.623 -4.992 1.00 0.00 C ATOM 1010 OE1 GLU A 64 6.304 -9.441 -3.780 1.00 0.00 O ATOM 1011 OE2 GLU A 64 6.894 -10.726 -5.463 1.00 0.00 O ATOM 0 H GLU A 64 3.429 -7.847 -8.842 1.00 0.00 H new ATOM 0 HA GLU A 64 4.923 -6.126 -7.035 1.00 0.00 H new ATOM 0 HB2 GLU A 64 4.460 -7.753 -5.403 1.00 0.00 H new ATOM 0 HB3 GLU A 64 4.461 -9.069 -6.561 1.00 0.00 H new ATOM 0 HG2 GLU A 64 6.965 -8.657 -6.854 1.00 0.00 H new ATOM 0 HG3 GLU A 64 6.866 -7.566 -5.486 1.00 0.00 H new ATOM 1018 N THR A 65 6.820 -6.424 -8.587 1.00 0.00 N ATOM 1019 CA THR A 65 7.908 -6.526 -9.551 1.00 0.00 C ATOM 1020 C THR A 65 9.214 -6.004 -8.963 1.00 0.00 C ATOM 1021 O THR A 65 9.214 -5.293 -7.958 1.00 0.00 O ATOM 1022 CB THR A 65 7.591 -5.745 -10.840 1.00 0.00 C ATOM 1023 OG1 THR A 65 8.491 -6.135 -11.883 1.00 0.00 O ATOM 1024 CG2 THR A 65 7.698 -4.246 -10.605 1.00 0.00 C ATOM 0 H THR A 65 6.839 -5.578 -8.017 1.00 0.00 H new ATOM 0 HA THR A 65 8.018 -7.583 -9.793 1.00 0.00 H new ATOM 0 HB THR A 65 6.568 -5.978 -11.137 1.00 0.00 H new ATOM 0 HG1 THR A 65 8.282 -5.635 -12.700 1.00 0.00 H new ATOM 0 HG21 THR A 65 7.470 -3.716 -11.529 1.00 0.00 H new ATOM 0 HG22 THR A 65 6.991 -3.948 -9.831 1.00 0.00 H new ATOM 0 HG23 THR A 65 8.710 -3.999 -10.286 1.00 0.00 H new ATOM 1032 N PHE A 66 10.327 -6.362 -9.595 1.00 0.00 N ATOM 1033 CA PHE A 66 11.641 -5.930 -9.134 1.00 0.00 C ATOM 1034 C PHE A 66 12.474 -5.391 -10.293 1.00 0.00 C ATOM 1035 O PHE A 66 12.383 -5.883 -11.417 1.00 0.00 O ATOM 1036 CB PHE A 66 12.375 -7.090 -8.459 1.00 0.00 C ATOM 1037 CG PHE A 66 13.828 -6.811 -8.201 1.00 0.00 C ATOM 1038 CD1 PHE A 66 14.217 -6.034 -7.122 1.00 0.00 C ATOM 1039 CD2 PHE A 66 14.805 -7.326 -9.038 1.00 0.00 C ATOM 1040 CE1 PHE A 66 15.554 -5.776 -6.881 1.00 0.00 C ATOM 1041 CE2 PHE A 66 16.143 -7.071 -8.803 1.00 0.00 C ATOM 1042 CZ PHE A 66 16.518 -6.294 -7.724 1.00 0.00 C ATOM 0 H PHE A 66 10.345 -6.950 -10.428 1.00 0.00 H new ATOM 0 HA PHE A 66 11.499 -5.129 -8.409 1.00 0.00 H new ATOM 0 HB2 PHE A 66 11.884 -7.319 -7.513 1.00 0.00 H new ATOM 0 HB3 PHE A 66 12.289 -7.978 -9.086 1.00 0.00 H new ATOM 0 HD1 PHE A 66 13.467 -5.625 -6.461 1.00 0.00 H new ATOM 0 HD2 PHE A 66 14.518 -7.933 -9.883 1.00 0.00 H new ATOM 0 HE1 PHE A 66 15.844 -5.170 -6.035 1.00 0.00 H new ATOM 0 HE2 PHE A 66 16.895 -7.479 -9.462 1.00 0.00 H new ATOM 0 HZ PHE A 66 17.563 -6.092 -7.540 1.00 0.00 H new ATOM 1052 N GLU A 67 13.286 -4.377 -10.010 1.00 0.00 N ATOM 1053 CA GLU A 67 14.135 -3.771 -11.030 1.00 0.00 C ATOM 1054 C GLU A 67 15.599 -3.794 -10.602 1.00 0.00 C ATOM 1055 O GLU A 67 16.018 -3.019 -9.741 1.00 0.00 O ATOM 1056 CB GLU A 67 13.694 -2.332 -11.302 1.00 0.00 C ATOM 1057 CG GLU A 67 12.330 -2.228 -11.963 1.00 0.00 C ATOM 1058 CD GLU A 67 11.202 -2.095 -10.958 1.00 0.00 C ATOM 1059 OE1 GLU A 67 11.479 -1.699 -9.806 1.00 0.00 O ATOM 1060 OE2 GLU A 67 10.044 -2.388 -11.321 1.00 0.00 O ATOM 0 H GLU A 67 13.374 -3.958 -9.084 1.00 0.00 H new ATOM 0 HA GLU A 67 14.033 -4.354 -11.945 1.00 0.00 H new ATOM 0 HB2 GLU A 67 13.675 -1.783 -10.361 1.00 0.00 H new ATOM 0 HB3 GLU A 67 14.435 -1.848 -11.939 1.00 0.00 H new ATOM 0 HG2 GLU A 67 12.319 -1.367 -12.631 1.00 0.00 H new ATOM 0 HG3 GLU A 67 12.161 -3.111 -12.579 1.00 0.00 H new ATOM 1067 N ARG A 68 16.373 -4.688 -11.209 1.00 0.00 N ATOM 1068 CA ARG A 68 17.790 -4.813 -10.891 1.00 0.00 C ATOM 1069 C ARG A 68 18.563 -3.582 -11.355 1.00 0.00 C ATOM 1070 O ARG A 68 19.492 -3.130 -10.684 1.00 0.00 O ATOM 1071 CB ARG A 68 18.372 -6.069 -11.543 1.00 0.00 C ATOM 1072 CG ARG A 68 17.721 -6.424 -12.870 1.00 0.00 C ATOM 1073 CD ARG A 68 16.544 -7.368 -12.678 1.00 0.00 C ATOM 1074 NE ARG A 68 15.523 -7.186 -13.707 1.00 0.00 N ATOM 1075 CZ ARG A 68 15.633 -7.661 -14.943 1.00 0.00 C ATOM 1076 NH1 ARG A 68 16.712 -8.343 -15.301 1.00 0.00 N ATOM 1077 NH2 ARG A 68 14.661 -7.455 -15.823 1.00 0.00 N ATOM 0 H ARG A 68 16.042 -5.336 -11.924 1.00 0.00 H new ATOM 0 HA ARG A 68 17.887 -4.895 -9.808 1.00 0.00 H new ATOM 0 HB2 ARG A 68 19.441 -5.925 -11.700 1.00 0.00 H new ATOM 0 HB3 ARG A 68 18.261 -6.909 -10.857 1.00 0.00 H new ATOM 0 HG2 ARG A 68 17.382 -5.514 -13.365 1.00 0.00 H new ATOM 0 HG3 ARG A 68 18.458 -6.888 -13.525 1.00 0.00 H new ATOM 0 HD2 ARG A 68 16.899 -8.398 -12.698 1.00 0.00 H new ATOM 0 HD3 ARG A 68 16.102 -7.202 -11.696 1.00 0.00 H new ATOM 0 HE ARG A 68 14.680 -6.666 -13.463 1.00 0.00 H new ATOM 0 HH11 ARG A 68 17.460 -8.504 -14.627 1.00 0.00 H new ATOM 0 HH12 ARG A 68 16.794 -8.707 -16.251 1.00 0.00 H new ATOM 0 HH21 ARG A 68 13.829 -6.932 -15.551 1.00 0.00 H new ATOM 0 HH22 ARG A 68 14.746 -7.820 -16.772 1.00 0.00 H new ATOM 1091 N HIS A 69 18.173 -3.044 -12.506 1.00 0.00 N ATOM 1092 CA HIS A 69 18.829 -1.865 -13.060 1.00 0.00 C ATOM 1093 C HIS A 69 18.846 -0.726 -12.045 1.00 0.00 C ATOM 1094 O HIS A 69 19.808 0.038 -11.971 1.00 0.00 O ATOM 1095 CB HIS A 69 18.121 -1.415 -14.338 1.00 0.00 C ATOM 1096 CG HIS A 69 16.665 -1.766 -14.372 1.00 0.00 C ATOM 1097 ND1 HIS A 69 16.194 -2.979 -14.828 1.00 0.00 N ATOM 1098 CD2 HIS A 69 15.574 -1.055 -14.001 1.00 0.00 C ATOM 1099 CE1 HIS A 69 14.876 -2.999 -14.738 1.00 0.00 C ATOM 1100 NE2 HIS A 69 14.475 -1.844 -14.239 1.00 0.00 N ATOM 0 H HIS A 69 17.406 -3.406 -13.073 1.00 0.00 H new ATOM 0 HA HIS A 69 19.859 -2.131 -13.299 1.00 0.00 H new ATOM 0 HB2 HIS A 69 18.228 -0.335 -14.442 1.00 0.00 H new ATOM 0 HB3 HIS A 69 18.616 -1.869 -15.197 1.00 0.00 H new ATOM 0 HD1 HIS A 69 16.773 -3.742 -15.180 1.00 0.00 H new ATOM 0 HD2 HIS A 69 15.569 -0.055 -13.594 1.00 0.00 H new ATOM 0 HE1 HIS A 69 14.236 -3.820 -15.024 1.00 0.00 H new ATOM 1109 N SER A 70 17.774 -0.618 -11.266 1.00 0.00 N ATOM 1110 CA SER A 70 17.664 0.431 -10.259 1.00 0.00 C ATOM 1111 C SER A 70 17.704 -0.160 -8.853 1.00 0.00 C ATOM 1112 O SER A 70 17.794 0.568 -7.865 1.00 0.00 O ATOM 1113 CB SER A 70 16.369 1.221 -10.455 1.00 0.00 C ATOM 1114 OG SER A 70 15.237 0.437 -10.122 1.00 0.00 O ATOM 0 H SER A 70 16.970 -1.244 -11.313 1.00 0.00 H new ATOM 0 HA SER A 70 18.513 1.104 -10.376 1.00 0.00 H new ATOM 0 HB2 SER A 70 16.389 2.117 -9.835 1.00 0.00 H new ATOM 0 HB3 SER A 70 16.294 1.551 -11.491 1.00 0.00 H new ATOM 0 HG SER A 70 14.423 0.966 -10.254 1.00 0.00 H new ATOM 1120 N ARG A 71 17.637 -1.485 -8.773 1.00 0.00 N ATOM 1121 CA ARG A 71 17.665 -2.174 -7.488 1.00 0.00 C ATOM 1122 C ARG A 71 16.542 -1.679 -6.581 1.00 0.00 C ATOM 1123 O ARG A 71 16.778 -1.303 -5.433 1.00 0.00 O ATOM 1124 CB ARG A 71 19.017 -1.968 -6.804 1.00 0.00 C ATOM 1125 CG ARG A 71 20.190 -2.535 -7.587 1.00 0.00 C ATOM 1126 CD ARG A 71 21.297 -3.015 -6.662 1.00 0.00 C ATOM 1127 NE ARG A 71 22.616 -2.890 -7.277 1.00 0.00 N ATOM 1128 CZ ARG A 71 23.335 -1.773 -7.253 1.00 0.00 C ATOM 1129 NH1 ARG A 71 22.865 -0.691 -6.648 1.00 0.00 N ATOM 1130 NH2 ARG A 71 24.527 -1.737 -7.835 1.00 0.00 N ATOM 0 H ARG A 71 17.563 -2.102 -9.582 1.00 0.00 H new ATOM 0 HA ARG A 71 17.518 -3.238 -7.671 1.00 0.00 H new ATOM 0 HB2 ARG A 71 19.177 -0.901 -6.649 1.00 0.00 H new ATOM 0 HB3 ARG A 71 18.990 -2.433 -5.819 1.00 0.00 H new ATOM 0 HG2 ARG A 71 19.848 -3.363 -8.208 1.00 0.00 H new ATOM 0 HG3 ARG A 71 20.582 -1.773 -8.260 1.00 0.00 H new ATOM 0 HD2 ARG A 71 21.272 -2.439 -5.737 1.00 0.00 H new ATOM 0 HD3 ARG A 71 21.119 -4.056 -6.394 1.00 0.00 H new ATOM 0 HE ARG A 71 23.006 -3.705 -7.751 1.00 0.00 H new ATOM 0 HH11 ARG A 71 21.949 -0.715 -6.199 1.00 0.00 H new ATOM 0 HH12 ARG A 71 23.419 0.165 -6.631 1.00 0.00 H new ATOM 0 HH21 ARG A 71 24.892 -2.567 -8.301 1.00 0.00 H new ATOM 0 HH22 ARG A 71 25.078 -0.879 -7.816 1.00 0.00 H new ATOM 1144 N VAL A 72 15.320 -1.682 -7.105 1.00 0.00 N ATOM 1145 CA VAL A 72 14.161 -1.235 -6.342 1.00 0.00 C ATOM 1146 C VAL A 72 12.933 -2.080 -6.662 1.00 0.00 C ATOM 1147 O VAL A 72 12.651 -2.368 -7.825 1.00 0.00 O ATOM 1148 CB VAL A 72 13.840 0.245 -6.626 1.00 0.00 C ATOM 1149 CG1 VAL A 72 12.586 0.672 -5.879 1.00 0.00 C ATOM 1150 CG2 VAL A 72 15.021 1.127 -6.251 1.00 0.00 C ATOM 0 H VAL A 72 15.108 -1.989 -8.054 1.00 0.00 H new ATOM 0 HA VAL A 72 14.412 -1.350 -5.288 1.00 0.00 H new ATOM 0 HB VAL A 72 13.654 0.361 -7.694 1.00 0.00 H new ATOM 0 HG11 VAL A 72 12.375 1.720 -6.092 1.00 0.00 H new ATOM 0 HG12 VAL A 72 11.744 0.060 -6.202 1.00 0.00 H new ATOM 0 HG13 VAL A 72 12.739 0.543 -4.808 1.00 0.00 H new ATOM 0 HG21 VAL A 72 14.777 2.169 -6.458 1.00 0.00 H new ATOM 0 HG22 VAL A 72 15.240 1.010 -5.190 1.00 0.00 H new ATOM 0 HG23 VAL A 72 15.893 0.835 -6.836 1.00 0.00 H new ATOM 1160 N TYR A 73 12.207 -2.474 -5.622 1.00 0.00 N ATOM 1161 CA TYR A 73 11.009 -3.289 -5.791 1.00 0.00 C ATOM 1162 C TYR A 73 9.771 -2.411 -5.951 1.00 0.00 C ATOM 1163 O TYR A 73 9.477 -1.570 -5.101 1.00 0.00 O ATOM 1164 CB TYR A 73 10.832 -4.227 -4.596 1.00 0.00 C ATOM 1165 CG TYR A 73 11.885 -5.309 -4.515 1.00 0.00 C ATOM 1166 CD1 TYR A 73 13.139 -5.047 -3.976 1.00 0.00 C ATOM 1167 CD2 TYR A 73 11.625 -6.594 -4.976 1.00 0.00 C ATOM 1168 CE1 TYR A 73 14.104 -6.033 -3.901 1.00 0.00 C ATOM 1169 CE2 TYR A 73 12.584 -7.586 -4.903 1.00 0.00 C ATOM 1170 CZ TYR A 73 13.821 -7.301 -4.365 1.00 0.00 C ATOM 1171 OH TYR A 73 14.779 -8.286 -4.290 1.00 0.00 O ATOM 0 H TYR A 73 12.427 -2.243 -4.653 1.00 0.00 H new ATOM 0 HA TYR A 73 11.130 -3.884 -6.696 1.00 0.00 H new ATOM 0 HB2 TYR A 73 10.854 -3.640 -3.678 1.00 0.00 H new ATOM 0 HB3 TYR A 73 9.848 -4.693 -4.653 1.00 0.00 H new ATOM 0 HD1 TYR A 73 13.363 -4.056 -3.610 1.00 0.00 H new ATOM 0 HD2 TYR A 73 10.657 -6.821 -5.398 1.00 0.00 H new ATOM 0 HE1 TYR A 73 15.074 -5.812 -3.481 1.00 0.00 H new ATOM 0 HE2 TYR A 73 12.366 -8.580 -5.266 1.00 0.00 H new ATOM 0 HH TYR A 73 15.257 -8.213 -3.438 1.00 0.00 H new ATOM 1181 N THR A 74 9.048 -2.614 -7.048 1.00 0.00 N ATOM 1182 CA THR A 74 7.842 -1.842 -7.322 1.00 0.00 C ATOM 1183 C THR A 74 6.590 -2.687 -7.117 1.00 0.00 C ATOM 1184 O THR A 74 6.283 -3.565 -7.925 1.00 0.00 O ATOM 1185 CB THR A 74 7.844 -1.287 -8.758 1.00 0.00 C ATOM 1186 OG1 THR A 74 9.021 -0.501 -8.978 1.00 0.00 O ATOM 1187 CG2 THR A 74 6.607 -0.439 -9.013 1.00 0.00 C ATOM 0 H THR A 74 9.277 -3.306 -7.761 1.00 0.00 H new ATOM 0 HA THR A 74 7.834 -1.009 -6.619 1.00 0.00 H new ATOM 0 HB THR A 74 7.836 -2.130 -9.449 1.00 0.00 H new ATOM 0 HG1 THR A 74 9.784 -1.094 -9.144 1.00 0.00 H new ATOM 0 HG21 THR A 74 6.631 -0.058 -10.034 1.00 0.00 H new ATOM 0 HG22 THR A 74 5.714 -1.048 -8.874 1.00 0.00 H new ATOM 0 HG23 THR A 74 6.589 0.397 -8.314 1.00 0.00 H new ATOM 1195 N PHE A 75 5.870 -2.418 -6.033 1.00 0.00 N ATOM 1196 CA PHE A 75 4.651 -3.155 -5.723 1.00 0.00 C ATOM 1197 C PHE A 75 3.415 -2.316 -6.033 1.00 0.00 C ATOM 1198 O PHE A 75 3.407 -1.103 -5.822 1.00 0.00 O ATOM 1199 CB PHE A 75 4.642 -3.571 -4.251 1.00 0.00 C ATOM 1200 CG PHE A 75 5.961 -4.109 -3.772 1.00 0.00 C ATOM 1201 CD1 PHE A 75 6.315 -5.427 -4.012 1.00 0.00 C ATOM 1202 CD2 PHE A 75 6.845 -3.297 -3.081 1.00 0.00 C ATOM 1203 CE1 PHE A 75 7.527 -5.925 -3.574 1.00 0.00 C ATOM 1204 CE2 PHE A 75 8.059 -3.789 -2.641 1.00 0.00 C ATOM 1205 CZ PHE A 75 8.400 -5.105 -2.886 1.00 0.00 C ATOM 0 H PHE A 75 6.110 -1.695 -5.355 1.00 0.00 H new ATOM 0 HA PHE A 75 4.628 -4.049 -6.346 1.00 0.00 H new ATOM 0 HB2 PHE A 75 4.366 -2.711 -3.640 1.00 0.00 H new ATOM 0 HB3 PHE A 75 3.873 -4.329 -4.101 1.00 0.00 H new ATOM 0 HD1 PHE A 75 5.635 -6.073 -4.548 1.00 0.00 H new ATOM 0 HD2 PHE A 75 6.583 -2.268 -2.884 1.00 0.00 H new ATOM 0 HE1 PHE A 75 7.791 -6.954 -3.769 1.00 0.00 H new ATOM 0 HE2 PHE A 75 8.741 -3.145 -2.106 1.00 0.00 H new ATOM 0 HZ PHE A 75 9.347 -5.492 -2.540 1.00 0.00 H new ATOM 1215 N GLU A 76 2.373 -2.971 -6.535 1.00 0.00 N ATOM 1216 CA GLU A 76 1.132 -2.285 -6.876 1.00 0.00 C ATOM 1217 C GLU A 76 -0.079 -3.077 -6.389 1.00 0.00 C ATOM 1218 O GLU A 76 0.040 -4.241 -6.009 1.00 0.00 O ATOM 1219 CB GLU A 76 1.040 -2.071 -8.388 1.00 0.00 C ATOM 1220 CG GLU A 76 2.307 -1.496 -8.999 1.00 0.00 C ATOM 1221 CD GLU A 76 2.513 -1.937 -10.436 1.00 0.00 C ATOM 1222 OE1 GLU A 76 1.634 -1.653 -11.276 1.00 0.00 O ATOM 1223 OE2 GLU A 76 3.555 -2.566 -10.719 1.00 0.00 O ATOM 0 H GLU A 76 2.363 -3.975 -6.715 1.00 0.00 H new ATOM 0 HA GLU A 76 1.135 -1.315 -6.379 1.00 0.00 H new ATOM 0 HB2 GLU A 76 0.815 -3.023 -8.868 1.00 0.00 H new ATOM 0 HB3 GLU A 76 0.207 -1.401 -8.602 1.00 0.00 H new ATOM 0 HG2 GLU A 76 2.264 -0.408 -8.959 1.00 0.00 H new ATOM 0 HG3 GLU A 76 3.166 -1.803 -8.402 1.00 0.00 H new ATOM 1230 N MET A 77 -1.242 -2.435 -6.402 1.00 0.00 N ATOM 1231 CA MET A 77 -2.475 -3.079 -5.963 1.00 0.00 C ATOM 1232 C MET A 77 -3.623 -2.761 -6.915 1.00 0.00 C ATOM 1233 O MET A 77 -4.188 -1.669 -6.877 1.00 0.00 O ATOM 1234 CB MET A 77 -2.833 -2.628 -4.545 1.00 0.00 C ATOM 1235 CG MET A 77 -4.168 -3.167 -4.056 1.00 0.00 C ATOM 1236 SD MET A 77 -4.269 -3.241 -2.257 1.00 0.00 S ATOM 1237 CE MET A 77 -4.552 -1.517 -1.862 1.00 0.00 C ATOM 0 H MET A 77 -1.357 -1.470 -6.711 1.00 0.00 H new ATOM 0 HA MET A 77 -2.314 -4.157 -5.964 1.00 0.00 H new ATOM 0 HB2 MET A 77 -2.048 -2.950 -3.861 1.00 0.00 H new ATOM 0 HB3 MET A 77 -2.857 -1.539 -4.514 1.00 0.00 H new ATOM 0 HG2 MET A 77 -4.971 -2.536 -4.436 1.00 0.00 H new ATOM 0 HG3 MET A 77 -4.325 -4.164 -4.466 1.00 0.00 H new ATOM 0 HE1 MET A 77 -4.425 -1.364 -0.790 1.00 0.00 H new ATOM 0 HE2 MET A 77 -3.838 -0.897 -2.404 1.00 0.00 H new ATOM 0 HE3 MET A 77 -5.566 -1.239 -2.151 1.00 0.00 H new ATOM 1247 N GLN A 78 -3.962 -3.723 -7.768 1.00 0.00 N ATOM 1248 CA GLN A 78 -5.043 -3.544 -8.730 1.00 0.00 C ATOM 1249 C GLN A 78 -6.380 -3.969 -8.132 1.00 0.00 C ATOM 1250 O GLN A 78 -6.612 -5.153 -7.885 1.00 0.00 O ATOM 1251 CB GLN A 78 -4.761 -4.348 -10.001 1.00 0.00 C ATOM 1252 CG GLN A 78 -5.157 -3.625 -11.278 1.00 0.00 C ATOM 1253 CD GLN A 78 -4.892 -4.450 -12.522 1.00 0.00 C ATOM 1254 OE1 GLN A 78 -5.784 -4.658 -13.345 1.00 0.00 O ATOM 1255 NE2 GLN A 78 -3.660 -4.925 -12.666 1.00 0.00 N ATOM 0 H GLN A 78 -3.504 -4.633 -7.812 1.00 0.00 H new ATOM 0 HA GLN A 78 -5.099 -2.485 -8.983 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -3.698 -4.586 -10.042 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -5.297 -5.295 -9.948 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -6.216 -3.371 -11.234 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -4.607 -2.686 -11.345 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -2.952 -4.728 -11.959 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -3.422 -5.487 -13.484 1.00 0.00 H new ATOM 1264 N ILE A 79 -7.256 -2.996 -7.902 1.00 0.00 N ATOM 1265 CA ILE A 79 -8.570 -3.271 -7.334 1.00 0.00 C ATOM 1266 C ILE A 79 -9.651 -3.238 -8.409 1.00 0.00 C ATOM 1267 O ILE A 79 -9.882 -2.206 -9.040 1.00 0.00 O ATOM 1268 CB ILE A 79 -8.928 -2.258 -6.230 1.00 0.00 C ATOM 1269 CG1 ILE A 79 -7.861 -2.266 -5.134 1.00 0.00 C ATOM 1270 CG2 ILE A 79 -10.297 -2.574 -5.646 1.00 0.00 C ATOM 1271 CD1 ILE A 79 -8.370 -1.792 -3.791 1.00 0.00 C ATOM 0 H ILE A 79 -7.079 -2.011 -8.100 1.00 0.00 H new ATOM 0 HA ILE A 79 -8.524 -4.269 -6.899 1.00 0.00 H new ATOM 0 HB ILE A 79 -8.963 -1.261 -6.669 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -7.468 -3.277 -5.028 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -7.030 -1.632 -5.443 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -10.536 -1.850 -4.867 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -11.049 -2.522 -6.433 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -10.288 -3.577 -5.219 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -7.560 -1.824 -3.063 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -8.736 -0.769 -3.881 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -9.181 -2.440 -3.460 1.00 0.00 H new ATOM 1283 N ILE A 80 -10.312 -4.373 -8.610 1.00 0.00 N ATOM 1284 CA ILE A 80 -11.371 -4.473 -9.606 1.00 0.00 C ATOM 1285 C ILE A 80 -12.747 -4.457 -8.949 1.00 0.00 C ATOM 1286 O ILE A 80 -13.004 -5.200 -8.001 1.00 0.00 O ATOM 1287 CB ILE A 80 -11.232 -5.755 -10.449 1.00 0.00 C ATOM 1288 CG1 ILE A 80 -9.767 -5.990 -10.821 1.00 0.00 C ATOM 1289 CG2 ILE A 80 -12.094 -5.663 -11.699 1.00 0.00 C ATOM 1290 CD1 ILE A 80 -9.047 -6.932 -9.881 1.00 0.00 C ATOM 0 H ILE A 80 -10.133 -5.236 -8.096 1.00 0.00 H new ATOM 0 HA ILE A 80 -11.273 -3.606 -10.259 1.00 0.00 H new ATOM 0 HB ILE A 80 -11.577 -6.602 -9.856 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -9.718 -6.392 -11.833 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -9.246 -5.033 -10.833 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -11.985 -6.576 -12.284 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -13.138 -5.538 -11.412 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -11.777 -4.809 -12.297 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -8.014 -7.051 -10.206 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -9.064 -6.522 -8.871 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -9.544 -7.902 -9.887 1.00 0.00 H new ATOM 1302 N LYS A 81 -13.630 -3.607 -9.460 1.00 0.00 N ATOM 1303 CA LYS A 81 -14.983 -3.494 -8.926 1.00 0.00 C ATOM 1304 C LYS A 81 -14.959 -2.987 -7.487 1.00 0.00 C ATOM 1305 O LYS A 81 -15.649 -3.522 -6.620 1.00 0.00 O ATOM 1306 CB LYS A 81 -15.692 -4.849 -8.989 1.00 0.00 C ATOM 1307 CG LYS A 81 -15.765 -5.433 -10.389 1.00 0.00 C ATOM 1308 CD LYS A 81 -17.017 -6.273 -10.578 1.00 0.00 C ATOM 1309 CE LYS A 81 -16.896 -7.190 -11.785 1.00 0.00 C ATOM 1310 NZ LYS A 81 -18.094 -8.060 -11.944 1.00 0.00 N ATOM 0 H LYS A 81 -13.434 -2.985 -10.244 1.00 0.00 H new ATOM 0 HA LYS A 81 -15.530 -2.776 -9.537 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -15.172 -5.552 -8.338 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -16.703 -4.739 -8.597 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -15.753 -4.626 -11.122 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -14.883 -6.046 -10.575 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -17.195 -6.869 -9.683 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -17.880 -5.619 -10.702 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -16.761 -6.590 -12.685 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -16.007 -7.812 -11.681 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -17.972 -8.670 -12.778 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -18.208 -8.651 -11.096 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -18.939 -7.467 -12.069 1.00 0.00 H new ATOM 1324 N ALA A 82 -14.162 -1.952 -7.242 1.00 0.00 N ATOM 1325 CA ALA A 82 -14.053 -1.371 -5.910 1.00 0.00 C ATOM 1326 C ALA A 82 -15.430 -1.128 -5.302 1.00 0.00 C ATOM 1327 O ALA A 82 -16.189 -0.283 -5.776 1.00 0.00 O ATOM 1328 CB ALA A 82 -13.260 -0.074 -5.964 1.00 0.00 C ATOM 0 H ALA A 82 -13.583 -1.499 -7.949 1.00 0.00 H new ATOM 0 HA ALA A 82 -13.525 -2.080 -5.273 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -13.186 0.349 -4.962 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -12.260 -0.275 -6.348 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -13.765 0.634 -6.621 1.00 0.00 H new ATOM 1334 N LYS A 83 -15.747 -1.875 -4.250 1.00 0.00 N ATOM 1335 CA LYS A 83 -17.033 -1.741 -3.575 1.00 0.00 C ATOM 1336 C LYS A 83 -16.956 -0.704 -2.459 1.00 0.00 C ATOM 1337 O LYS A 83 -15.868 -0.294 -2.053 1.00 0.00 O ATOM 1338 CB LYS A 83 -17.476 -3.090 -3.004 1.00 0.00 C ATOM 1339 CG LYS A 83 -17.279 -4.250 -3.964 1.00 0.00 C ATOM 1340 CD LYS A 83 -17.472 -5.587 -3.269 1.00 0.00 C ATOM 1341 CE LYS A 83 -17.063 -6.746 -4.166 1.00 0.00 C ATOM 1342 NZ LYS A 83 -18.179 -7.184 -5.049 1.00 0.00 N ATOM 0 H LYS A 83 -15.131 -2.580 -3.846 1.00 0.00 H new ATOM 0 HA LYS A 83 -17.767 -1.406 -4.308 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -16.919 -3.288 -2.088 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -18.529 -3.031 -2.730 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -17.984 -4.163 -4.791 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -16.278 -4.203 -4.393 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -16.883 -5.610 -2.352 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -18.517 -5.700 -2.980 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -16.211 -6.449 -4.778 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -16.737 -7.584 -3.550 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -18.134 -8.215 -5.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -19.088 -6.930 -4.612 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -18.096 -6.714 -5.973 1.00 0.00 H new ATOM 1356 N ASP A 84 -18.116 -0.286 -1.965 1.00 0.00 N ATOM 1357 CA ASP A 84 -18.180 0.700 -0.893 1.00 0.00 C ATOM 1358 C ASP A 84 -17.387 0.233 0.323 1.00 0.00 C ATOM 1359 O ASP A 84 -16.944 1.043 1.136 1.00 0.00 O ATOM 1360 CB ASP A 84 -19.634 0.963 -0.499 1.00 0.00 C ATOM 1361 CG ASP A 84 -20.112 0.035 0.601 1.00 0.00 C ATOM 1362 OD1 ASP A 84 -19.926 0.377 1.788 1.00 0.00 O ATOM 1363 OD2 ASP A 84 -20.672 -1.033 0.276 1.00 0.00 O ATOM 0 H ASP A 84 -19.025 -0.615 -2.290 1.00 0.00 H new ATOM 0 HA ASP A 84 -17.738 1.627 -1.259 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -19.737 1.997 -0.169 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -20.272 0.843 -1.374 1.00 0.00 H new ATOM 1368 N ASN A 85 -17.212 -1.079 0.441 1.00 0.00 N ATOM 1369 CA ASN A 85 -16.474 -1.655 1.560 1.00 0.00 C ATOM 1370 C ASN A 85 -14.979 -1.385 1.420 1.00 0.00 C ATOM 1371 O ASN A 85 -14.222 -1.511 2.383 1.00 0.00 O ATOM 1372 CB ASN A 85 -16.726 -3.162 1.643 1.00 0.00 C ATOM 1373 CG ASN A 85 -15.553 -3.911 2.246 1.00 0.00 C ATOM 1374 OD1 ASN A 85 -15.526 -4.180 3.447 1.00 0.00 O ATOM 1375 ND2 ASN A 85 -14.578 -4.253 1.412 1.00 0.00 N ATOM 0 H ASN A 85 -17.571 -1.764 -0.224 1.00 0.00 H new ATOM 0 HA ASN A 85 -16.827 -1.184 2.477 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -17.618 -3.346 2.242 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -16.927 -3.550 0.644 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -13.764 -4.760 1.760 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -14.643 -4.009 0.424 1.00 0.00 H new ATOM 1382 N PHE A 86 -14.560 -1.012 0.216 1.00 0.00 N ATOM 1383 CA PHE A 86 -13.155 -0.724 -0.050 1.00 0.00 C ATOM 1384 C PHE A 86 -12.786 0.676 0.433 1.00 0.00 C ATOM 1385 O PHE A 86 -11.611 1.040 0.472 1.00 0.00 O ATOM 1386 CB PHE A 86 -12.861 -0.854 -1.546 1.00 0.00 C ATOM 1387 CG PHE A 86 -12.926 -2.267 -2.049 1.00 0.00 C ATOM 1388 CD1 PHE A 86 -14.063 -3.035 -1.853 1.00 0.00 C ATOM 1389 CD2 PHE A 86 -11.850 -2.829 -2.719 1.00 0.00 C ATOM 1390 CE1 PHE A 86 -14.125 -4.336 -2.315 1.00 0.00 C ATOM 1391 CE2 PHE A 86 -11.907 -4.129 -3.183 1.00 0.00 C ATOM 1392 CZ PHE A 86 -13.046 -4.884 -2.982 1.00 0.00 C ATOM 0 H PHE A 86 -15.173 -0.902 -0.592 1.00 0.00 H new ATOM 0 HA PHE A 86 -12.551 -1.448 0.496 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -13.574 -0.246 -2.102 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -11.870 -0.450 -1.750 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -14.910 -2.612 -1.333 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -10.957 -2.244 -2.880 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -15.016 -4.924 -2.155 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -11.061 -4.555 -3.703 1.00 0.00 H new ATOM 0 HZ PHE A 86 -13.093 -5.900 -3.345 1.00 0.00 H new ATOM 1402 N ALA A 87 -13.798 1.455 0.799 1.00 0.00 N ATOM 1403 CA ALA A 87 -13.581 2.814 1.280 1.00 0.00 C ATOM 1404 C ALA A 87 -13.355 2.832 2.788 1.00 0.00 C ATOM 1405 O ALA A 87 -14.222 2.427 3.561 1.00 0.00 O ATOM 1406 CB ALA A 87 -14.762 3.700 0.911 1.00 0.00 C ATOM 0 H ALA A 87 -14.777 1.168 0.772 1.00 0.00 H new ATOM 0 HA ALA A 87 -12.684 3.205 0.799 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -14.586 4.712 1.277 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -14.877 3.721 -0.173 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -15.670 3.303 1.365 1.00 0.00 H new ATOM 1412 N GLY A 88 -12.182 3.304 3.200 1.00 0.00 N ATOM 1413 CA GLY A 88 -11.863 3.365 4.615 1.00 0.00 C ATOM 1414 C GLY A 88 -10.407 3.705 4.866 1.00 0.00 C ATOM 1415 O GLY A 88 -9.912 4.728 4.397 1.00 0.00 O ATOM 0 H GLY A 88 -11.447 3.645 2.580 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -12.495 4.112 5.095 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -12.094 2.406 5.078 1.00 0.00 H new ATOM 1419 N ASN A 89 -9.721 2.844 5.611 1.00 0.00 N ATOM 1420 CA ASN A 89 -8.313 3.059 5.926 1.00 0.00 C ATOM 1421 C ASN A 89 -7.447 1.953 5.331 1.00 0.00 C ATOM 1422 O ASN A 89 -7.809 0.777 5.371 1.00 0.00 O ATOM 1423 CB ASN A 89 -8.112 3.120 7.442 1.00 0.00 C ATOM 1424 CG ASN A 89 -6.646 3.152 7.830 1.00 0.00 C ATOM 1425 OD1 ASN A 89 -6.162 2.274 8.544 1.00 0.00 O ATOM 1426 ND2 ASN A 89 -5.932 4.168 7.359 1.00 0.00 N ATOM 0 H ASN A 89 -10.117 1.992 6.008 1.00 0.00 H new ATOM 0 HA ASN A 89 -8.009 4.009 5.487 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -8.609 4.006 7.836 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -8.589 2.255 7.904 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -4.940 4.243 7.586 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -6.375 4.873 6.770 1.00 0.00 H new ATOM 1433 N TYR A 90 -6.301 2.338 4.780 1.00 0.00 N ATOM 1434 CA TYR A 90 -5.384 1.380 4.175 1.00 0.00 C ATOM 1435 C TYR A 90 -4.009 1.452 4.833 1.00 0.00 C ATOM 1436 O TYR A 90 -3.552 2.525 5.225 1.00 0.00 O ATOM 1437 CB TYR A 90 -5.257 1.642 2.673 1.00 0.00 C ATOM 1438 CG TYR A 90 -6.437 1.145 1.870 1.00 0.00 C ATOM 1439 CD1 TYR A 90 -7.719 1.621 2.114 1.00 0.00 C ATOM 1440 CD2 TYR A 90 -6.270 0.200 0.865 1.00 0.00 C ATOM 1441 CE1 TYR A 90 -8.801 1.169 1.383 1.00 0.00 C ATOM 1442 CE2 TYR A 90 -7.345 -0.257 0.128 1.00 0.00 C ATOM 1443 CZ TYR A 90 -8.608 0.230 0.391 1.00 0.00 C ATOM 1444 OH TYR A 90 -9.683 -0.222 -0.341 1.00 0.00 O ATOM 0 H TYR A 90 -5.985 3.307 4.740 1.00 0.00 H new ATOM 0 HA TYR A 90 -5.789 0.380 4.330 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -5.141 2.713 2.508 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -4.350 1.163 2.305 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -7.873 2.357 2.889 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -5.282 -0.184 0.657 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -9.791 1.548 1.587 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -7.197 -0.992 -0.650 1.00 0.00 H new ATOM 0 HH TYR A 90 -10.511 -0.051 0.154 1.00 0.00 H new ATOM 1454 N ARG A 91 -3.356 0.300 4.950 1.00 0.00 N ATOM 1455 CA ARG A 91 -2.034 0.230 5.561 1.00 0.00 C ATOM 1456 C ARG A 91 -1.070 -0.559 4.681 1.00 0.00 C ATOM 1457 O ARG A 91 -1.490 -1.362 3.847 1.00 0.00 O ATOM 1458 CB ARG A 91 -2.122 -0.414 6.946 1.00 0.00 C ATOM 1459 CG ARG A 91 -0.979 -0.029 7.870 1.00 0.00 C ATOM 1460 CD ARG A 91 -1.107 -0.707 9.226 1.00 0.00 C ATOM 1461 NE ARG A 91 0.155 -0.700 9.962 1.00 0.00 N ATOM 1462 CZ ARG A 91 0.609 0.353 10.631 1.00 0.00 C ATOM 1463 NH1 ARG A 91 -0.091 1.479 10.658 1.00 0.00 N ATOM 1464 NH2 ARG A 91 1.766 0.282 11.277 1.00 0.00 N ATOM 0 H ARG A 91 -3.721 -0.597 4.630 1.00 0.00 H new ATOM 0 HA ARG A 91 -1.655 1.247 5.665 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -3.066 -0.129 7.411 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -2.137 -1.498 6.833 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -0.030 -0.306 7.411 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -0.965 1.053 8.003 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -1.872 -0.201 9.814 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -1.440 -1.736 9.087 1.00 0.00 H new ATOM 0 HE ARG A 91 0.718 -1.551 9.962 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -0.981 1.538 10.164 1.00 0.00 H new ATOM 0 HH12 ARG A 91 0.261 2.286 11.173 1.00 0.00 H new ATOM 0 HH21 ARG A 91 2.307 -0.582 11.260 1.00 0.00 H new ATOM 0 HH22 ARG A 91 2.114 1.092 11.791 1.00 0.00 H new ATOM 1478 N CYS A 92 0.224 -0.325 4.872 1.00 0.00 N ATOM 1479 CA CYS A 92 1.248 -1.013 4.094 1.00 0.00 C ATOM 1480 C CYS A 92 2.430 -1.403 4.977 1.00 0.00 C ATOM 1481 O CYS A 92 2.974 -0.573 5.703 1.00 0.00 O ATOM 1482 CB CYS A 92 1.726 -0.126 2.944 1.00 0.00 C ATOM 1483 SG CYS A 92 2.560 -1.026 1.615 1.00 0.00 S ATOM 0 H CYS A 92 0.588 0.336 5.559 1.00 0.00 H new ATOM 0 HA CYS A 92 0.808 -1.922 3.683 1.00 0.00 H new ATOM 0 HB2 CYS A 92 0.869 0.404 2.528 1.00 0.00 H new ATOM 0 HB3 CYS A 92 2.406 0.629 3.340 1.00 0.00 H new ATOM 0 HG CYS A 92 3.681 -0.435 1.328 1.00 0.00 H new ATOM 1489 N GLU A 93 2.819 -2.672 4.908 1.00 0.00 N ATOM 1490 CA GLU A 93 3.935 -3.172 5.703 1.00 0.00 C ATOM 1491 C GLU A 93 5.061 -3.676 4.805 1.00 0.00 C ATOM 1492 O GLU A 93 4.829 -4.449 3.875 1.00 0.00 O ATOM 1493 CB GLU A 93 3.466 -4.295 6.631 1.00 0.00 C ATOM 1494 CG GLU A 93 2.837 -3.796 7.920 1.00 0.00 C ATOM 1495 CD GLU A 93 2.082 -4.884 8.660 1.00 0.00 C ATOM 1496 OE1 GLU A 93 1.434 -5.717 7.992 1.00 0.00 O ATOM 1497 OE2 GLU A 93 2.140 -4.902 9.907 1.00 0.00 O ATOM 0 H GLU A 93 2.379 -3.372 4.311 1.00 0.00 H new ATOM 0 HA GLU A 93 4.316 -2.348 6.306 1.00 0.00 H new ATOM 0 HB2 GLU A 93 2.744 -4.915 6.101 1.00 0.00 H new ATOM 0 HB3 GLU A 93 4.316 -4.933 6.874 1.00 0.00 H new ATOM 0 HG2 GLU A 93 3.616 -3.394 8.568 1.00 0.00 H new ATOM 0 HG3 GLU A 93 2.156 -2.976 7.694 1.00 0.00 H new ATOM 1504 N VAL A 94 6.281 -3.232 5.089 1.00 0.00 N ATOM 1505 CA VAL A 94 7.443 -3.638 4.308 1.00 0.00 C ATOM 1506 C VAL A 94 8.656 -3.864 5.205 1.00 0.00 C ATOM 1507 O VAL A 94 9.164 -2.932 5.828 1.00 0.00 O ATOM 1508 CB VAL A 94 7.797 -2.585 3.241 1.00 0.00 C ATOM 1509 CG1 VAL A 94 8.238 -1.286 3.898 1.00 0.00 C ATOM 1510 CG2 VAL A 94 8.877 -3.114 2.309 1.00 0.00 C ATOM 0 H VAL A 94 6.490 -2.591 5.854 1.00 0.00 H new ATOM 0 HA VAL A 94 7.181 -4.573 3.813 1.00 0.00 H new ATOM 0 HB VAL A 94 6.906 -2.380 2.648 1.00 0.00 H new ATOM 0 HG11 VAL A 94 8.484 -0.554 3.128 1.00 0.00 H new ATOM 0 HG12 VAL A 94 7.430 -0.901 4.520 1.00 0.00 H new ATOM 0 HG13 VAL A 94 9.116 -1.471 4.517 1.00 0.00 H new ATOM 0 HG21 VAL A 94 9.115 -2.357 1.561 1.00 0.00 H new ATOM 0 HG22 VAL A 94 9.772 -3.349 2.885 1.00 0.00 H new ATOM 0 HG23 VAL A 94 8.519 -4.015 1.812 1.00 0.00 H new ATOM 1520 N THR A 95 9.116 -5.110 5.265 1.00 0.00 N ATOM 1521 CA THR A 95 10.268 -5.461 6.085 1.00 0.00 C ATOM 1522 C THR A 95 11.473 -5.810 5.220 1.00 0.00 C ATOM 1523 O THR A 95 11.336 -6.451 4.177 1.00 0.00 O ATOM 1524 CB THR A 95 9.956 -6.649 7.015 1.00 0.00 C ATOM 1525 OG1 THR A 95 8.628 -6.527 7.537 1.00 0.00 O ATOM 1526 CG2 THR A 95 10.953 -6.716 8.161 1.00 0.00 C ATOM 0 H THR A 95 8.708 -5.893 4.755 1.00 0.00 H new ATOM 0 HA THR A 95 10.501 -4.586 6.692 1.00 0.00 H new ATOM 0 HB THR A 95 10.034 -7.567 6.433 1.00 0.00 H new ATOM 0 HG1 THR A 95 8.503 -5.628 7.907 1.00 0.00 H new ATOM 0 HG21 THR A 95 10.712 -7.563 8.804 1.00 0.00 H new ATOM 0 HG22 THR A 95 11.959 -6.839 7.761 1.00 0.00 H new ATOM 0 HG23 THR A 95 10.903 -5.794 8.741 1.00 0.00 H new ATOM 1534 N TYR A 96 12.653 -5.386 5.658 1.00 0.00 N ATOM 1535 CA TYR A 96 13.883 -5.653 4.922 1.00 0.00 C ATOM 1536 C TYR A 96 14.987 -6.133 5.860 1.00 0.00 C ATOM 1537 O TYR A 96 14.781 -6.259 7.067 1.00 0.00 O ATOM 1538 CB TYR A 96 14.341 -4.396 4.179 1.00 0.00 C ATOM 1539 CG TYR A 96 15.319 -4.677 3.061 1.00 0.00 C ATOM 1540 CD1 TYR A 96 15.095 -5.707 2.157 1.00 0.00 C ATOM 1541 CD2 TYR A 96 16.468 -3.910 2.909 1.00 0.00 C ATOM 1542 CE1 TYR A 96 15.987 -5.967 1.135 1.00 0.00 C ATOM 1543 CE2 TYR A 96 17.365 -4.161 1.889 1.00 0.00 C ATOM 1544 CZ TYR A 96 17.121 -5.191 1.005 1.00 0.00 C ATOM 1545 OH TYR A 96 18.011 -5.446 -0.013 1.00 0.00 O ATOM 0 H TYR A 96 12.784 -4.856 6.519 1.00 0.00 H new ATOM 0 HA TYR A 96 13.678 -6.441 4.198 1.00 0.00 H new ATOM 0 HB2 TYR A 96 13.468 -3.889 3.768 1.00 0.00 H new ATOM 0 HB3 TYR A 96 14.802 -3.711 4.891 1.00 0.00 H new ATOM 0 HD1 TYR A 96 14.208 -6.315 2.255 1.00 0.00 H new ATOM 0 HD2 TYR A 96 16.663 -3.104 3.600 1.00 0.00 H new ATOM 0 HE1 TYR A 96 15.798 -6.773 0.441 1.00 0.00 H new ATOM 0 HE2 TYR A 96 18.252 -3.554 1.784 1.00 0.00 H new ATOM 0 HH TYR A 96 17.531 -5.820 -0.781 1.00 0.00 H new ATOM 1555 N LYS A 97 16.160 -6.398 5.296 1.00 0.00 N ATOM 1556 CA LYS A 97 17.299 -6.862 6.079 1.00 0.00 C ATOM 1557 C LYS A 97 17.213 -6.357 7.516 1.00 0.00 C ATOM 1558 O LYS A 97 16.893 -7.114 8.432 1.00 0.00 O ATOM 1559 CB LYS A 97 18.608 -6.394 5.440 1.00 0.00 C ATOM 1560 CG LYS A 97 18.881 -7.020 4.084 1.00 0.00 C ATOM 1561 CD LYS A 97 19.964 -6.267 3.330 1.00 0.00 C ATOM 1562 CE LYS A 97 20.782 -7.200 2.450 1.00 0.00 C ATOM 1563 NZ LYS A 97 21.805 -6.462 1.659 1.00 0.00 N ATOM 0 H LYS A 97 16.347 -6.299 4.298 1.00 0.00 H new ATOM 0 HA LYS A 97 17.278 -7.952 6.094 1.00 0.00 H new ATOM 0 HB2 LYS A 97 18.582 -5.310 5.332 1.00 0.00 H new ATOM 0 HB3 LYS A 97 19.434 -6.628 6.112 1.00 0.00 H new ATOM 0 HG2 LYS A 97 19.184 -8.059 4.216 1.00 0.00 H new ATOM 0 HG3 LYS A 97 17.964 -7.028 3.495 1.00 0.00 H new ATOM 0 HD2 LYS A 97 19.508 -5.491 2.715 1.00 0.00 H new ATOM 0 HD3 LYS A 97 20.621 -5.765 4.040 1.00 0.00 H new ATOM 0 HE2 LYS A 97 21.274 -7.947 3.072 1.00 0.00 H new ATOM 0 HE3 LYS A 97 20.117 -7.736 1.773 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 22.459 -7.140 1.219 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 21.335 -5.904 0.918 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 22.337 -5.826 2.287 1.00 0.00 H new ATOM 1577 N ASP A 98 17.499 -5.073 7.705 1.00 0.00 N ATOM 1578 CA ASP A 98 17.451 -4.467 9.030 1.00 0.00 C ATOM 1579 C ASP A 98 16.685 -3.148 8.997 1.00 0.00 C ATOM 1580 O ASP A 98 16.967 -2.234 9.772 1.00 0.00 O ATOM 1581 CB ASP A 98 18.867 -4.235 9.559 1.00 0.00 C ATOM 1582 CG ASP A 98 19.532 -5.518 10.016 1.00 0.00 C ATOM 1583 OD1 ASP A 98 19.130 -6.599 9.536 1.00 0.00 O ATOM 1584 OD2 ASP A 98 20.455 -5.443 10.853 1.00 0.00 O ATOM 0 H ASP A 98 17.766 -4.433 6.958 1.00 0.00 H new ATOM 0 HA ASP A 98 16.929 -5.153 9.698 1.00 0.00 H new ATOM 0 HB2 ASP A 98 19.472 -3.774 8.779 1.00 0.00 H new ATOM 0 HB3 ASP A 98 18.830 -3.532 10.391 1.00 0.00 H new ATOM 1589 N LYS A 99 15.715 -3.056 8.093 1.00 0.00 N ATOM 1590 CA LYS A 99 14.907 -1.849 7.958 1.00 0.00 C ATOM 1591 C LYS A 99 13.438 -2.200 7.747 1.00 0.00 C ATOM 1592 O LYS A 99 13.105 -3.056 6.927 1.00 0.00 O ATOM 1593 CB LYS A 99 15.413 -1.001 6.789 1.00 0.00 C ATOM 1594 CG LYS A 99 16.922 -0.828 6.772 1.00 0.00 C ATOM 1595 CD LYS A 99 17.376 -0.017 5.570 1.00 0.00 C ATOM 1596 CE LYS A 99 17.424 1.470 5.886 1.00 0.00 C ATOM 1597 NZ LYS A 99 16.167 1.940 6.532 1.00 0.00 N ATOM 0 H LYS A 99 15.469 -3.803 7.443 1.00 0.00 H new ATOM 0 HA LYS A 99 14.997 -1.275 8.881 1.00 0.00 H new ATOM 0 HB2 LYS A 99 15.098 -1.462 5.853 1.00 0.00 H new ATOM 0 HB3 LYS A 99 14.943 -0.018 6.834 1.00 0.00 H new ATOM 0 HG2 LYS A 99 17.243 -0.333 7.689 1.00 0.00 H new ATOM 0 HG3 LYS A 99 17.401 -1.807 6.754 1.00 0.00 H new ATOM 0 HD2 LYS A 99 18.363 -0.355 5.254 1.00 0.00 H new ATOM 0 HD3 LYS A 99 16.697 -0.191 4.735 1.00 0.00 H new ATOM 0 HE2 LYS A 99 18.269 1.675 6.544 1.00 0.00 H new ATOM 0 HE3 LYS A 99 17.592 2.031 4.967 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 16.190 2.976 6.624 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 15.352 1.662 5.949 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 16.080 1.511 7.475 1.00 0.00 H new ATOM 1611 N PHE A 100 12.562 -1.532 8.490 1.00 0.00 N ATOM 1612 CA PHE A 100 11.128 -1.772 8.383 1.00 0.00 C ATOM 1613 C PHE A 100 10.347 -0.466 8.501 1.00 0.00 C ATOM 1614 O PHE A 100 10.570 0.322 9.419 1.00 0.00 O ATOM 1615 CB PHE A 100 10.672 -2.751 9.467 1.00 0.00 C ATOM 1616 CG PHE A 100 9.193 -2.712 9.727 1.00 0.00 C ATOM 1617 CD1 PHE A 100 8.298 -3.198 8.787 1.00 0.00 C ATOM 1618 CD2 PHE A 100 8.698 -2.188 10.910 1.00 0.00 C ATOM 1619 CE1 PHE A 100 6.936 -3.164 9.023 1.00 0.00 C ATOM 1620 CE2 PHE A 100 7.337 -2.151 11.152 1.00 0.00 C ATOM 1621 CZ PHE A 100 6.456 -2.638 10.207 1.00 0.00 C ATOM 0 H PHE A 100 12.820 -0.820 9.173 1.00 0.00 H new ATOM 0 HA PHE A 100 10.930 -2.206 7.403 1.00 0.00 H new ATOM 0 HB2 PHE A 100 10.955 -3.762 9.174 1.00 0.00 H new ATOM 0 HB3 PHE A 100 11.202 -2.528 10.393 1.00 0.00 H new ATOM 0 HD1 PHE A 100 8.669 -3.608 7.859 1.00 0.00 H new ATOM 0 HD2 PHE A 100 9.383 -1.804 11.652 1.00 0.00 H new ATOM 0 HE1 PHE A 100 6.249 -3.548 8.283 1.00 0.00 H new ATOM 0 HE2 PHE A 100 6.964 -1.742 12.079 1.00 0.00 H new ATOM 0 HZ PHE A 100 5.393 -2.608 10.393 1.00 0.00 H new ATOM 1631 N ASP A 101 9.432 -0.245 7.563 1.00 0.00 N ATOM 1632 CA ASP A 101 8.617 0.964 7.561 1.00 0.00 C ATOM 1633 C ASP A 101 7.156 0.634 7.274 1.00 0.00 C ATOM 1634 O ASP A 101 6.850 -0.378 6.644 1.00 0.00 O ATOM 1635 CB ASP A 101 9.142 1.956 6.522 1.00 0.00 C ATOM 1636 CG ASP A 101 10.389 2.680 6.992 1.00 0.00 C ATOM 1637 OD1 ASP A 101 10.397 3.160 8.144 1.00 0.00 O ATOM 1638 OD2 ASP A 101 11.356 2.768 6.206 1.00 0.00 O ATOM 0 H ASP A 101 9.236 -0.887 6.795 1.00 0.00 H new ATOM 0 HA ASP A 101 8.681 1.417 8.550 1.00 0.00 H new ATOM 0 HB2 ASP A 101 9.361 1.426 5.595 1.00 0.00 H new ATOM 0 HB3 ASP A 101 8.365 2.686 6.296 1.00 0.00 H new ATOM 1643 N SER A 102 6.257 1.495 7.740 1.00 0.00 N ATOM 1644 CA SER A 102 4.827 1.292 7.538 1.00 0.00 C ATOM 1645 C SER A 102 4.146 2.596 7.134 1.00 0.00 C ATOM 1646 O SER A 102 4.225 3.598 7.846 1.00 0.00 O ATOM 1647 CB SER A 102 4.184 0.741 8.812 1.00 0.00 C ATOM 1648 OG SER A 102 4.046 1.754 9.794 1.00 0.00 O ATOM 0 H SER A 102 6.494 2.340 8.260 1.00 0.00 H new ATOM 0 HA SER A 102 4.697 0.569 6.732 1.00 0.00 H new ATOM 0 HB2 SER A 102 3.205 0.322 8.577 1.00 0.00 H new ATOM 0 HB3 SER A 102 4.792 -0.072 9.207 1.00 0.00 H new ATOM 0 HG SER A 102 4.341 2.612 9.423 1.00 0.00 H new ATOM 1654 N CYS A 103 3.477 2.575 5.986 1.00 0.00 N ATOM 1655 CA CYS A 103 2.782 3.755 5.485 1.00 0.00 C ATOM 1656 C CYS A 103 1.310 3.450 5.226 1.00 0.00 C ATOM 1657 O CYS A 103 0.978 2.504 4.511 1.00 0.00 O ATOM 1658 CB CYS A 103 3.445 4.257 4.201 1.00 0.00 C ATOM 1659 SG CYS A 103 2.910 5.907 3.690 1.00 0.00 S ATOM 0 H CYS A 103 3.401 1.754 5.385 1.00 0.00 H new ATOM 0 HA CYS A 103 2.845 4.533 6.246 1.00 0.00 H new ATOM 0 HB2 CYS A 103 4.526 4.265 4.342 1.00 0.00 H new ATOM 0 HB3 CYS A 103 3.234 3.553 3.396 1.00 0.00 H new ATOM 0 HG CYS A 103 3.673 6.332 2.727 1.00 0.00 H new ATOM 1665 N SER A 104 0.431 4.256 5.813 1.00 0.00 N ATOM 1666 CA SER A 104 -1.006 4.069 5.650 1.00 0.00 C ATOM 1667 C SER A 104 -1.616 5.216 4.851 1.00 0.00 C ATOM 1668 O SER A 104 -1.134 6.348 4.901 1.00 0.00 O ATOM 1669 CB SER A 104 -1.686 3.966 7.016 1.00 0.00 C ATOM 1670 OG SER A 104 -1.564 5.178 7.740 1.00 0.00 O ATOM 0 H SER A 104 0.689 5.045 6.406 1.00 0.00 H new ATOM 0 HA SER A 104 -1.167 3.141 5.101 1.00 0.00 H new ATOM 0 HB2 SER A 104 -2.740 3.723 6.883 1.00 0.00 H new ATOM 0 HB3 SER A 104 -1.240 3.151 7.587 1.00 0.00 H new ATOM 0 HG SER A 104 -2.008 5.086 8.609 1.00 0.00 H new ATOM 1676 N PHE A 105 -2.680 4.915 4.113 1.00 0.00 N ATOM 1677 CA PHE A 105 -3.356 5.920 3.302 1.00 0.00 C ATOM 1678 C PHE A 105 -4.871 5.818 3.461 1.00 0.00 C ATOM 1679 O PHE A 105 -5.375 4.933 4.152 1.00 0.00 O ATOM 1680 CB PHE A 105 -2.975 5.758 1.829 1.00 0.00 C ATOM 1681 CG PHE A 105 -2.958 4.328 1.368 1.00 0.00 C ATOM 1682 CD1 PHE A 105 -1.948 3.469 1.770 1.00 0.00 C ATOM 1683 CD2 PHE A 105 -3.951 3.844 0.532 1.00 0.00 C ATOM 1684 CE1 PHE A 105 -1.929 2.153 1.348 1.00 0.00 C ATOM 1685 CE2 PHE A 105 -3.938 2.528 0.108 1.00 0.00 C ATOM 1686 CZ PHE A 105 -2.924 1.682 0.515 1.00 0.00 C ATOM 0 H PHE A 105 -3.092 3.983 4.060 1.00 0.00 H new ATOM 0 HA PHE A 105 -3.037 6.904 3.647 1.00 0.00 H new ATOM 0 HB2 PHE A 105 -3.679 6.321 1.216 1.00 0.00 H new ATOM 0 HB3 PHE A 105 -1.990 6.196 1.666 1.00 0.00 H new ATOM 0 HD1 PHE A 105 -1.166 3.832 2.421 1.00 0.00 H new ATOM 0 HD2 PHE A 105 -4.744 4.502 0.208 1.00 0.00 H new ATOM 0 HE1 PHE A 105 -1.136 1.494 1.670 1.00 0.00 H new ATOM 0 HE2 PHE A 105 -4.720 2.162 -0.541 1.00 0.00 H new ATOM 0 HZ PHE A 105 -2.910 0.655 0.182 1.00 0.00 H new ATOM 1696 N ASP A 106 -5.590 6.731 2.817 1.00 0.00 N ATOM 1697 CA ASP A 106 -7.046 6.745 2.886 1.00 0.00 C ATOM 1698 C ASP A 106 -7.658 6.542 1.504 1.00 0.00 C ATOM 1699 O ASP A 106 -7.261 7.193 0.536 1.00 0.00 O ATOM 1700 CB ASP A 106 -7.537 8.063 3.486 1.00 0.00 C ATOM 1701 CG ASP A 106 -6.844 9.268 2.881 1.00 0.00 C ATOM 1702 OD1 ASP A 106 -5.612 9.386 3.042 1.00 0.00 O ATOM 1703 OD2 ASP A 106 -7.535 10.094 2.247 1.00 0.00 O ATOM 0 H ASP A 106 -5.188 7.471 2.241 1.00 0.00 H new ATOM 0 HA ASP A 106 -7.362 5.923 3.528 1.00 0.00 H new ATOM 0 HB2 ASP A 106 -8.612 8.151 3.332 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -7.369 8.054 4.563 1.00 0.00 H new ATOM 1708 N LEU A 107 -8.624 5.635 1.417 1.00 0.00 N ATOM 1709 CA LEU A 107 -9.291 5.345 0.152 1.00 0.00 C ATOM 1710 C LEU A 107 -10.778 5.675 0.232 1.00 0.00 C ATOM 1711 O LEU A 107 -11.460 5.283 1.178 1.00 0.00 O ATOM 1712 CB LEU A 107 -9.102 3.873 -0.220 1.00 0.00 C ATOM 1713 CG LEU A 107 -9.409 3.504 -1.672 1.00 0.00 C ATOM 1714 CD1 LEU A 107 -10.881 3.158 -1.835 1.00 0.00 C ATOM 1715 CD2 LEU A 107 -9.020 4.641 -2.605 1.00 0.00 C ATOM 0 H LEU A 107 -8.963 5.087 2.208 1.00 0.00 H new ATOM 0 HA LEU A 107 -8.841 5.969 -0.620 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -8.070 3.594 -0.005 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -9.737 3.270 0.429 1.00 0.00 H new ATOM 0 HG LEU A 107 -8.819 2.626 -1.936 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -11.081 2.898 -2.875 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -11.129 2.311 -1.195 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -11.490 4.017 -1.552 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -9.246 4.361 -3.634 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -9.582 5.537 -2.341 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -7.953 4.841 -2.509 1.00 0.00 H new ATOM 1727 N GLU A 108 -11.274 6.396 -0.769 1.00 0.00 N ATOM 1728 CA GLU A 108 -12.681 6.776 -0.812 1.00 0.00 C ATOM 1729 C GLU A 108 -13.405 6.056 -1.945 1.00 0.00 C ATOM 1730 O GLU A 108 -12.796 5.679 -2.946 1.00 0.00 O ATOM 1731 CB GLU A 108 -12.817 8.290 -0.986 1.00 0.00 C ATOM 1732 CG GLU A 108 -12.482 9.080 0.269 1.00 0.00 C ATOM 1733 CD GLU A 108 -11.020 9.476 0.336 1.00 0.00 C ATOM 1734 OE1 GLU A 108 -10.165 8.573 0.453 1.00 0.00 O ATOM 1735 OE2 GLU A 108 -10.731 10.689 0.271 1.00 0.00 O ATOM 0 H GLU A 108 -10.723 6.728 -1.560 1.00 0.00 H new ATOM 0 HA GLU A 108 -13.139 6.483 0.132 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -12.162 8.614 -1.795 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -13.838 8.522 -1.290 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -13.100 9.977 0.305 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -12.734 8.485 1.147 1.00 0.00 H new ATOM 1742 N VAL A 109 -14.710 5.866 -1.779 1.00 0.00 N ATOM 1743 CA VAL A 109 -15.519 5.191 -2.787 1.00 0.00 C ATOM 1744 C VAL A 109 -16.841 5.918 -3.008 1.00 0.00 C ATOM 1745 O VAL A 109 -17.661 6.028 -2.097 1.00 0.00 O ATOM 1746 CB VAL A 109 -15.809 3.732 -2.389 1.00 0.00 C ATOM 1747 CG1 VAL A 109 -16.487 2.991 -3.532 1.00 0.00 C ATOM 1748 CG2 VAL A 109 -14.525 3.028 -1.974 1.00 0.00 C ATOM 0 H VAL A 109 -15.230 6.170 -0.956 1.00 0.00 H new ATOM 0 HA VAL A 109 -14.943 5.200 -3.713 1.00 0.00 H new ATOM 0 HB VAL A 109 -16.488 3.734 -1.536 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -16.684 1.962 -3.232 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -17.428 3.484 -3.778 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -15.836 2.996 -4.406 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -14.748 1.998 -1.696 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -13.821 3.035 -2.806 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -14.085 3.546 -1.122 1.00 0.00 H new ATOM 1758 N HIS A 110 -17.041 6.413 -4.225 1.00 0.00 N ATOM 1759 CA HIS A 110 -18.265 7.129 -4.567 1.00 0.00 C ATOM 1760 C HIS A 110 -19.203 6.244 -5.382 1.00 0.00 C ATOM 1761 O HIS A 110 -18.758 5.443 -6.203 1.00 0.00 O ATOM 1762 CB HIS A 110 -17.935 8.400 -5.351 1.00 0.00 C ATOM 1763 CG HIS A 110 -17.185 9.420 -4.551 1.00 0.00 C ATOM 1764 ND1 HIS A 110 -17.048 10.734 -4.946 1.00 0.00 N ATOM 1765 CD2 HIS A 110 -16.530 9.313 -3.371 1.00 0.00 C ATOM 1766 CE1 HIS A 110 -16.340 11.391 -4.044 1.00 0.00 C ATOM 1767 NE2 HIS A 110 -16.014 10.551 -3.078 1.00 0.00 N ATOM 0 H HIS A 110 -16.372 6.332 -4.991 1.00 0.00 H new ATOM 0 HA HIS A 110 -18.767 7.403 -3.639 1.00 0.00 H new ATOM 0 HB2 HIS A 110 -17.345 8.133 -6.228 1.00 0.00 H new ATOM 0 HB3 HIS A 110 -18.862 8.844 -5.713 1.00 0.00 H new ATOM 0 HD2 HIS A 110 -16.432 8.420 -2.772 1.00 0.00 H new ATOM 0 HE1 HIS A 110 -16.073 12.437 -4.089 1.00 0.00 H new ATOM 0 HE2 HIS A 110 -15.468 10.784 -2.249 1.00 0.00 H new ATOM 1776 N GLU A 111 -20.503 6.394 -5.148 1.00 0.00 N ATOM 1777 CA GLU A 111 -21.503 5.607 -5.859 1.00 0.00 C ATOM 1778 C GLU A 111 -21.449 5.885 -7.359 1.00 0.00 C ATOM 1779 O GLU A 111 -21.489 7.037 -7.789 1.00 0.00 O ATOM 1780 CB GLU A 111 -22.903 5.914 -5.323 1.00 0.00 C ATOM 1781 CG GLU A 111 -23.098 5.518 -3.869 1.00 0.00 C ATOM 1782 CD GLU A 111 -24.560 5.451 -3.474 1.00 0.00 C ATOM 1783 OE1 GLU A 111 -25.254 4.514 -3.921 1.00 0.00 O ATOM 1784 OE2 GLU A 111 -25.011 6.336 -2.717 1.00 0.00 O ATOM 0 H GLU A 111 -20.888 7.053 -4.472 1.00 0.00 H new ATOM 0 HA GLU A 111 -21.282 4.553 -5.694 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -23.098 6.981 -5.429 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -23.639 5.393 -5.935 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -22.634 4.547 -3.695 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -22.585 6.236 -3.229 1.00 0.00 H new ATOM 1791 N SER A 112 -21.356 4.820 -8.149 1.00 0.00 N ATOM 1792 CA SER A 112 -21.292 4.949 -9.600 1.00 0.00 C ATOM 1793 C SER A 112 -22.682 5.166 -10.189 1.00 0.00 C ATOM 1794 O SER A 112 -23.298 4.240 -10.718 1.00 0.00 O ATOM 1795 CB SER A 112 -20.654 3.702 -10.216 1.00 0.00 C ATOM 1796 OG SER A 112 -20.265 3.938 -11.558 1.00 0.00 O ATOM 0 H SER A 112 -21.323 3.859 -7.809 1.00 0.00 H new ATOM 0 HA SER A 112 -20.677 5.818 -9.836 1.00 0.00 H new ATOM 0 HB2 SER A 112 -19.785 3.407 -9.629 1.00 0.00 H new ATOM 0 HB3 SER A 112 -21.360 2.873 -10.179 1.00 0.00 H new ATOM 0 HG SER A 112 -19.859 3.127 -11.928 1.00 0.00 H new ATOM 1802 N THR A 113 -23.173 6.398 -10.093 1.00 0.00 N ATOM 1803 CA THR A 113 -24.491 6.739 -10.614 1.00 0.00 C ATOM 1804 C THR A 113 -25.577 5.894 -9.957 1.00 0.00 C ATOM 1805 O THR A 113 -26.539 5.489 -10.607 1.00 0.00 O ATOM 1806 CB THR A 113 -24.559 6.545 -12.140 1.00 0.00 C ATOM 1807 OG1 THR A 113 -23.427 7.163 -12.763 1.00 0.00 O ATOM 1808 CG2 THR A 113 -25.841 7.138 -12.705 1.00 0.00 C ATOM 0 H THR A 113 -22.677 7.176 -9.659 1.00 0.00 H new ATOM 0 HA THR A 113 -24.661 7.790 -10.381 1.00 0.00 H new ATOM 0 HB THR A 113 -24.550 5.475 -12.349 1.00 0.00 H new ATOM 0 HG1 THR A 113 -23.477 7.034 -13.733 1.00 0.00 H new ATOM 0 HG21 THR A 113 -25.866 6.989 -13.784 1.00 0.00 H new ATOM 0 HG22 THR A 113 -26.701 6.646 -12.250 1.00 0.00 H new ATOM 0 HG23 THR A 113 -25.876 8.205 -12.485 1.00 0.00 H new ATOM 1816 N GLY A 114 -25.415 5.632 -8.663 1.00 0.00 N ATOM 1817 CA GLY A 114 -26.391 4.838 -7.940 1.00 0.00 C ATOM 1818 C GLY A 114 -27.455 5.689 -7.277 1.00 0.00 C ATOM 1819 O GLY A 114 -27.549 6.890 -7.532 1.00 0.00 O ATOM 0 H GLY A 114 -24.626 5.955 -8.103 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -26.866 4.138 -8.627 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -25.881 4.244 -7.182 1.00 0.00 H new ATOM 1823 N THR A 115 -28.262 5.066 -6.423 1.00 0.00 N ATOM 1824 CA THR A 115 -29.327 5.773 -5.723 1.00 0.00 C ATOM 1825 C THR A 115 -29.233 5.557 -4.217 1.00 0.00 C ATOM 1826 O THR A 115 -28.621 4.594 -3.754 1.00 0.00 O ATOM 1827 CB THR A 115 -30.716 5.320 -6.210 1.00 0.00 C ATOM 1828 OG1 THR A 115 -30.870 3.910 -6.010 1.00 0.00 O ATOM 1829 CG2 THR A 115 -30.909 5.653 -7.682 1.00 0.00 C ATOM 0 H THR A 115 -28.198 4.073 -6.200 1.00 0.00 H new ATOM 0 HA THR A 115 -29.201 6.833 -5.943 1.00 0.00 H new ATOM 0 HB THR A 115 -31.471 5.853 -5.632 1.00 0.00 H new ATOM 0 HG1 THR A 115 -31.756 3.630 -6.321 1.00 0.00 H new ATOM 0 HG21 THR A 115 -31.897 5.324 -8.003 1.00 0.00 H new ATOM 0 HG22 THR A 115 -30.821 6.730 -7.826 1.00 0.00 H new ATOM 0 HG23 THR A 115 -30.147 5.144 -8.273 1.00 0.00 H new ATOM 1837 N THR A 116 -29.846 6.458 -3.455 1.00 0.00 N ATOM 1838 CA THR A 116 -29.831 6.366 -2.001 1.00 0.00 C ATOM 1839 C THR A 116 -31.181 5.904 -1.466 1.00 0.00 C ATOM 1840 O THR A 116 -32.227 6.127 -2.075 1.00 0.00 O ATOM 1841 CB THR A 116 -29.472 7.718 -1.356 1.00 0.00 C ATOM 1842 OG1 THR A 116 -30.265 8.762 -1.932 1.00 0.00 O ATOM 1843 CG2 THR A 116 -27.995 8.033 -1.545 1.00 0.00 C ATOM 0 H THR A 116 -30.359 7.260 -3.822 1.00 0.00 H new ATOM 0 HA THR A 116 -29.068 5.633 -1.739 1.00 0.00 H new ATOM 0 HB THR A 116 -29.679 7.652 -0.288 1.00 0.00 H new ATOM 0 HG1 THR A 116 -30.032 9.618 -1.515 1.00 0.00 H new ATOM 0 HG21 THR A 116 -27.765 8.992 -1.081 1.00 0.00 H new ATOM 0 HG22 THR A 116 -27.394 7.252 -1.080 1.00 0.00 H new ATOM 0 HG23 THR A 116 -27.767 8.081 -2.610 1.00 0.00 H new ATOM 1851 N PRO A 117 -31.161 5.244 -0.298 1.00 0.00 N ATOM 1852 CA PRO A 117 -32.377 4.738 0.346 1.00 0.00 C ATOM 1853 C PRO A 117 -33.259 5.859 0.882 1.00 0.00 C ATOM 1854 O PRO A 117 -32.855 7.021 0.909 1.00 0.00 O ATOM 1855 CB PRO A 117 -31.839 3.883 1.497 1.00 0.00 C ATOM 1856 CG PRO A 117 -30.497 4.455 1.798 1.00 0.00 C ATOM 1857 CD PRO A 117 -29.951 4.943 0.484 1.00 0.00 C ATOM 0 HA PRO A 117 -33.009 4.189 -0.352 1.00 0.00 H new ATOM 0 HB2 PRO A 117 -32.494 3.932 2.367 1.00 0.00 H new ATOM 0 HB3 PRO A 117 -31.767 2.834 1.211 1.00 0.00 H new ATOM 0 HG2 PRO A 117 -30.573 5.271 2.516 1.00 0.00 H new ATOM 0 HG3 PRO A 117 -29.842 3.703 2.238 1.00 0.00 H new ATOM 0 HD2 PRO A 117 -29.325 5.826 0.612 1.00 0.00 H new ATOM 0 HD3 PRO A 117 -29.337 4.185 -0.002 1.00 0.00 H new ATOM 1865 N ASN A 118 -34.467 5.504 1.309 1.00 0.00 N ATOM 1866 CA ASN A 118 -35.407 6.482 1.845 1.00 0.00 C ATOM 1867 C ASN A 118 -34.920 7.028 3.184 1.00 0.00 C ATOM 1868 O ASN A 118 -33.976 6.500 3.774 1.00 0.00 O ATOM 1869 CB ASN A 118 -36.791 5.851 2.012 1.00 0.00 C ATOM 1870 CG ASN A 118 -36.799 4.737 3.041 1.00 0.00 C ATOM 1871 OD1 ASN A 118 -36.760 4.989 4.245 1.00 0.00 O ATOM 1872 ND2 ASN A 118 -36.848 3.497 2.570 1.00 0.00 N ATOM 0 H ASN A 118 -34.818 4.546 1.294 1.00 0.00 H new ATOM 0 HA ASN A 118 -35.475 7.309 1.139 1.00 0.00 H new ATOM 0 HB2 ASN A 118 -37.504 6.620 2.308 1.00 0.00 H new ATOM 0 HB3 ASN A 118 -37.126 5.458 1.052 1.00 0.00 H new ATOM 0 HD21 ASN A 118 -36.855 2.707 3.215 1.00 0.00 H new ATOM 0 HD22 ASN A 118 -36.879 3.335 1.563 1.00 0.00 H new ATOM 1879 N ILE A 119 -35.569 8.086 3.657 1.00 0.00 N ATOM 1880 CA ILE A 119 -35.203 8.702 4.926 1.00 0.00 C ATOM 1881 C ILE A 119 -36.429 8.915 5.807 1.00 0.00 C ATOM 1882 O ILE A 119 -37.276 9.760 5.517 1.00 0.00 O ATOM 1883 CB ILE A 119 -34.497 10.054 4.713 1.00 0.00 C ATOM 1884 CG1 ILE A 119 -33.229 9.866 3.878 1.00 0.00 C ATOM 1885 CG2 ILE A 119 -34.166 10.696 6.052 1.00 0.00 C ATOM 1886 CD1 ILE A 119 -32.822 11.104 3.109 1.00 0.00 C ATOM 0 H ILE A 119 -36.351 8.535 3.180 1.00 0.00 H new ATOM 0 HA ILE A 119 -34.516 8.017 5.423 1.00 0.00 H new ATOM 0 HB ILE A 119 -35.171 10.718 4.171 1.00 0.00 H new ATOM 0 HG12 ILE A 119 -32.411 9.572 4.536 1.00 0.00 H new ATOM 0 HG13 ILE A 119 -33.384 9.047 3.176 1.00 0.00 H new ATOM 0 HG21 ILE A 119 -33.667 11.651 5.884 1.00 0.00 H new ATOM 0 HG22 ILE A 119 -35.085 10.861 6.614 1.00 0.00 H new ATOM 0 HG23 ILE A 119 -33.508 10.037 6.618 1.00 0.00 H new ATOM 0 HD11 ILE A 119 -31.916 10.897 2.540 1.00 0.00 H new ATOM 0 HD12 ILE A 119 -33.623 11.388 2.426 1.00 0.00 H new ATOM 0 HD13 ILE A 119 -32.634 11.920 3.807 1.00 0.00 H new ATOM 1898 N ASP A 120 -36.516 8.144 6.886 1.00 0.00 N ATOM 1899 CA ASP A 120 -37.637 8.250 7.813 1.00 0.00 C ATOM 1900 C ASP A 120 -38.965 8.247 7.062 1.00 0.00 C ATOM 1901 O ASP A 120 -39.880 8.999 7.395 1.00 0.00 O ATOM 1902 CB ASP A 120 -37.515 9.522 8.652 1.00 0.00 C ATOM 1903 CG ASP A 120 -38.366 9.473 9.905 1.00 0.00 C ATOM 1904 OD1 ASP A 120 -38.513 8.374 10.479 1.00 0.00 O ATOM 1905 OD2 ASP A 120 -38.886 10.534 10.312 1.00 0.00 O ATOM 0 H ASP A 120 -35.824 7.439 7.140 1.00 0.00 H new ATOM 0 HA ASP A 120 -37.612 7.384 8.475 1.00 0.00 H new ATOM 0 HB2 ASP A 120 -36.472 9.671 8.931 1.00 0.00 H new ATOM 0 HB3 ASP A 120 -37.810 10.381 8.049 1.00 0.00 H new ATOM 1910 N SER A 121 -39.062 7.396 6.045 1.00 0.00 N ATOM 1911 CA SER A 121 -40.276 7.298 5.243 1.00 0.00 C ATOM 1912 C SER A 121 -41.244 6.283 5.844 1.00 0.00 C ATOM 1913 O SER A 121 -40.925 5.101 5.966 1.00 0.00 O ATOM 1914 CB SER A 121 -39.933 6.903 3.806 1.00 0.00 C ATOM 1915 OG SER A 121 -41.027 7.141 2.937 1.00 0.00 O ATOM 0 H SER A 121 -38.314 6.765 5.757 1.00 0.00 H new ATOM 0 HA SER A 121 -40.758 8.276 5.238 1.00 0.00 H new ATOM 0 HB2 SER A 121 -39.065 7.469 3.467 1.00 0.00 H new ATOM 0 HB3 SER A 121 -39.659 5.849 3.771 1.00 0.00 H new ATOM 0 HG SER A 121 -40.782 6.882 2.024 1.00 0.00 H new ATOM 1921 N GLY A 122 -42.429 6.755 6.219 1.00 0.00 N ATOM 1922 CA GLY A 122 -43.426 5.877 6.803 1.00 0.00 C ATOM 1923 C GLY A 122 -44.841 6.286 6.445 1.00 0.00 C ATOM 1924 O GLY A 122 -45.094 7.411 6.012 1.00 0.00 O ATOM 0 H GLY A 122 -42.716 7.730 6.129 1.00 0.00 H new ATOM 0 HA2 GLY A 122 -43.250 4.856 6.464 1.00 0.00 H new ATOM 0 HA3 GLY A 122 -43.315 5.877 7.887 1.00 0.00 H new ATOM 1928 N PRO A 123 -45.793 5.358 6.623 1.00 0.00 N ATOM 1929 CA PRO A 123 -47.206 5.605 6.321 1.00 0.00 C ATOM 1930 C PRO A 123 -47.844 6.589 7.295 1.00 0.00 C ATOM 1931 O PRO A 123 -47.585 6.543 8.497 1.00 0.00 O ATOM 1932 CB PRO A 123 -47.846 4.222 6.461 1.00 0.00 C ATOM 1933 CG PRO A 123 -46.953 3.485 7.399 1.00 0.00 C ATOM 1934 CD PRO A 123 -45.564 3.997 7.136 1.00 0.00 C ATOM 0 HA PRO A 123 -47.340 6.054 5.337 1.00 0.00 H new ATOM 0 HB2 PRO A 123 -48.860 4.293 6.854 1.00 0.00 H new ATOM 0 HB3 PRO A 123 -47.912 3.717 5.497 1.00 0.00 H new ATOM 0 HG2 PRO A 123 -47.244 3.661 8.435 1.00 0.00 H new ATOM 0 HG3 PRO A 123 -47.011 2.410 7.230 1.00 0.00 H new ATOM 0 HD2 PRO A 123 -44.961 4.006 8.044 1.00 0.00 H new ATOM 0 HD3 PRO A 123 -45.038 3.377 6.410 1.00 0.00 H new ATOM 1942 N SER A 124 -48.680 7.478 6.768 1.00 0.00 N ATOM 1943 CA SER A 124 -49.353 8.476 7.592 1.00 0.00 C ATOM 1944 C SER A 124 -50.678 7.937 8.124 1.00 0.00 C ATOM 1945 O SER A 124 -50.887 7.857 9.334 1.00 0.00 O ATOM 1946 CB SER A 124 -49.596 9.753 6.786 1.00 0.00 C ATOM 1947 OG SER A 124 -48.424 10.548 6.724 1.00 0.00 O ATOM 0 H SER A 124 -48.907 7.528 5.775 1.00 0.00 H new ATOM 0 HA SER A 124 -48.708 8.707 8.440 1.00 0.00 H new ATOM 0 HB2 SER A 124 -49.918 9.494 5.777 1.00 0.00 H new ATOM 0 HB3 SER A 124 -50.404 10.326 7.241 1.00 0.00 H new ATOM 0 HG SER A 124 -48.605 11.357 6.202 1.00 0.00 H new ATOM 1953 N SER A 125 -51.570 7.569 7.210 1.00 0.00 N ATOM 1954 CA SER A 125 -52.876 7.041 7.585 1.00 0.00 C ATOM 1955 C SER A 125 -52.775 5.570 7.977 1.00 0.00 C ATOM 1956 O SER A 125 -52.404 4.723 7.165 1.00 0.00 O ATOM 1957 CB SER A 125 -53.867 7.206 6.431 1.00 0.00 C ATOM 1958 OG SER A 125 -54.533 8.455 6.506 1.00 0.00 O ATOM 0 H SER A 125 -51.412 7.627 6.204 1.00 0.00 H new ATOM 0 HA SER A 125 -53.235 7.605 8.446 1.00 0.00 H new ATOM 0 HB2 SER A 125 -53.339 7.128 5.480 1.00 0.00 H new ATOM 0 HB3 SER A 125 -54.598 6.398 6.457 1.00 0.00 H new ATOM 0 HG SER A 125 -55.159 8.537 5.757 1.00 0.00 H new ATOM 1964 N GLY A 126 -53.109 5.273 9.230 1.00 0.00 N ATOM 1965 CA GLY A 126 -53.050 3.905 9.709 1.00 0.00 C ATOM 1966 C GLY A 126 -54.018 3.647 10.847 1.00 0.00 C ATOM 1967 O GLY A 126 -54.593 2.563 10.948 1.00 0.00 O ATOM 0 H GLY A 126 -53.419 5.956 9.921 1.00 0.00 H new ATOM 0 HA2 GLY A 126 -53.272 3.225 8.886 1.00 0.00 H new ATOM 0 HA3 GLY A 126 -52.036 3.683 10.041 1.00 0.00 H new TER 1971 GLY A 126