USER MOD reduce.3.24.130724 H: found=0, std=0, add=953, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 952 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 99 LYS NZ :NH3+ 180:sc= -0.0161 (180deg=-0.0161) USER MOD Set 1.2: A 115 TYR OH : rot -130:sc= -0.0272 USER MOD Set 2.1: A 90 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 116 CYS SG : rot 160:sc= -2.5! USER MOD Set 3.1: A 79 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 105 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 THR OG1 : rot -102:sc= 1.22 USER MOD Single : A 12 HIS : no HD1:sc= -1.96 K(o=-2,f=-2.7) USER MOD Single : A 16 THR OG1 : rot -108:sc= 0.196 USER MOD Single : A 17 THR OG1 : rot -26:sc= 0.658 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 THR OG1 : rot 85:sc= 0.538 USER MOD Single : A 26 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00745) USER MOD Single : A 28 GLN :FLIP amide:sc=-0.00219 F(o=-2.2!,f=-0.0022) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0228) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 ASN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 ASN : amide:sc= -0.0912 K(o=-0.091,f=-1.8!) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 TYR OH : rot 64:sc= 0 USER MOD Single : A 59 THR OG1 : rot 36:sc= 0.0737 USER MOD Single : A 61 HIS : no HE2:sc= -0.741 K(o=-0.74,f=-3.4!) USER MOD Single : A 62 TYR OH : rot -144:sc= -0.178 USER MOD Single : A 64 THR OG1 : rot 124:sc= 0.233 USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 69 THR OG1 : rot 49:sc= 0.359 USER MOD Single : A 72 LYS NZ :NH3+ -137:sc= 0.0214 (180deg=-0.279) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0311) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 95 SER OG : rot 180:sc= 0.00103 USER MOD Single : A 98 TYR OH : rot 150:sc= -0.39 USER MOD Single : A 111 ASN : amide:sc= 0 X(o=0,f=0.16) USER MOD Single : A 119 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0404) USER MOD Single : A 120 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N TYR A 4 -6.976 -19.178 -12.627 1.00 0.00 N ATOM 2 CA TYR A 4 -7.418 -17.796 -12.828 1.00 0.00 C ATOM 3 C TYR A 4 -6.996 -16.960 -11.610 1.00 0.00 C ATOM 4 O TYR A 4 -6.785 -17.476 -10.511 1.00 0.00 O ATOM 5 CB TYR A 4 -8.948 -17.831 -13.003 1.00 0.00 C ATOM 6 CG TYR A 4 -9.464 -16.822 -14.016 1.00 0.00 C ATOM 7 CD1 TYR A 4 -9.807 -15.564 -13.630 1.00 0.00 C ATOM 8 CD2 TYR A 4 -9.602 -17.186 -15.321 1.00 0.00 C ATOM 9 CE1 TYR A 4 -10.278 -14.676 -14.544 1.00 0.00 C ATOM 10 CE2 TYR A 4 -10.077 -16.299 -16.233 1.00 0.00 C ATOM 11 CZ TYR A 4 -10.415 -15.042 -15.844 1.00 0.00 C ATOM 12 OH TYR A 4 -10.878 -14.140 -16.765 1.00 0.00 O ATOM 0 HA TYR A 4 -6.968 -17.340 -13.710 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -9.248 -18.832 -13.313 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -9.421 -17.641 -12.039 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -9.705 -15.270 -12.596 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -9.332 -18.185 -15.632 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -10.544 -13.676 -14.235 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -10.186 -16.593 -17.267 1.00 0.00 H new ATOM 0 HH TYR A 4 -10.915 -14.564 -17.648 1.00 0.00 H new ATOM 22 N LYS A 5 -6.895 -15.654 -11.813 1.00 0.00 N ATOM 23 CA LYS A 5 -6.302 -14.780 -10.806 1.00 0.00 C ATOM 24 C LYS A 5 -7.346 -13.778 -10.320 1.00 0.00 C ATOM 25 O LYS A 5 -7.670 -12.812 -11.009 1.00 0.00 O ATOM 26 CB LYS A 5 -5.115 -14.054 -11.446 1.00 0.00 C ATOM 27 CG LYS A 5 -3.980 -14.992 -11.876 1.00 0.00 C ATOM 28 CD LYS A 5 -2.800 -14.203 -12.452 1.00 0.00 C ATOM 29 CE LYS A 5 -1.678 -15.141 -12.900 1.00 0.00 C ATOM 30 NZ LYS A 5 -0.557 -14.365 -13.456 1.00 0.00 N ATOM 0 H LYS A 5 -7.212 -15.178 -12.657 1.00 0.00 H new ATOM 0 HA LYS A 5 -5.959 -15.358 -9.948 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -5.466 -13.499 -12.316 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -4.723 -13.323 -10.739 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -3.646 -15.579 -11.021 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -4.349 -15.696 -12.622 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -3.137 -13.604 -13.298 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -2.421 -13.510 -11.701 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -1.333 -15.737 -12.055 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -2.054 -15.838 -13.649 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 0.199 -15.013 -13.757 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -0.888 -13.815 -14.275 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -0.189 -13.718 -12.730 1.00 0.00 H new ATOM 44 N THR A 6 -7.898 -13.994 -9.129 1.00 0.00 N ATOM 45 CA THR A 6 -8.716 -12.939 -8.506 1.00 0.00 C ATOM 46 C THR A 6 -7.775 -11.879 -7.938 1.00 0.00 C ATOM 47 O THR A 6 -6.872 -12.168 -7.152 1.00 0.00 O ATOM 48 CB THR A 6 -9.687 -13.434 -7.423 1.00 0.00 C ATOM 49 OG1 THR A 6 -10.090 -12.354 -6.589 1.00 0.00 O ATOM 50 CG2 THR A 6 -9.109 -14.555 -6.566 1.00 0.00 C ATOM 0 H THR A 6 -7.804 -14.853 -8.587 1.00 0.00 H new ATOM 0 HA THR A 6 -9.359 -12.529 -9.285 1.00 0.00 H new ATOM 0 HB THR A 6 -10.549 -13.844 -7.948 1.00 0.00 H new ATOM 0 HG1 THR A 6 -9.597 -12.392 -5.743 1.00 0.00 H new ATOM 0 HG21 THR A 6 -9.844 -14.859 -5.821 1.00 0.00 H new ATOM 0 HG22 THR A 6 -8.861 -15.406 -7.200 1.00 0.00 H new ATOM 0 HG23 THR A 6 -8.208 -14.202 -6.064 1.00 0.00 H new ATOM 58 N GLY A 7 -7.948 -10.665 -8.442 1.00 0.00 N ATOM 59 CA GLY A 7 -7.062 -9.572 -8.039 1.00 0.00 C ATOM 60 C GLY A 7 -7.745 -8.266 -7.670 1.00 0.00 C ATOM 61 O GLY A 7 -8.877 -8.210 -7.186 1.00 0.00 O ATOM 0 H GLY A 7 -8.673 -10.411 -9.114 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -6.472 -9.905 -7.185 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -6.364 -9.377 -8.853 1.00 0.00 H new ATOM 65 N LEU A 8 -6.949 -7.219 -7.836 1.00 0.00 N ATOM 66 CA LEU A 8 -7.287 -5.899 -7.313 1.00 0.00 C ATOM 67 C LEU A 8 -7.033 -4.856 -8.386 1.00 0.00 C ATOM 68 O LEU A 8 -6.098 -4.976 -9.182 1.00 0.00 O ATOM 69 CB LEU A 8 -6.335 -5.575 -6.151 1.00 0.00 C ATOM 70 CG LEU A 8 -6.800 -4.389 -5.300 1.00 0.00 C ATOM 71 CD1 LEU A 8 -8.207 -4.574 -4.731 1.00 0.00 C ATOM 72 CD2 LEU A 8 -5.802 -4.137 -4.169 1.00 0.00 C ATOM 0 H LEU A 8 -6.058 -7.257 -8.332 1.00 0.00 H new ATOM 0 HA LEU A 8 -8.330 -5.892 -6.996 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -6.238 -6.454 -5.514 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -5.344 -5.360 -6.551 1.00 0.00 H new ATOM 0 HG LEU A 8 -6.843 -3.523 -5.960 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -8.478 -3.700 -4.138 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -8.918 -4.692 -5.549 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -8.230 -5.462 -4.100 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -6.139 -3.292 -3.568 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -5.733 -5.025 -3.541 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -4.822 -3.914 -4.591 1.00 0.00 H new ATOM 84 N LEU A 9 -7.801 -3.778 -8.362 1.00 0.00 N ATOM 85 CA LEU A 9 -7.348 -2.560 -8.990 1.00 0.00 C ATOM 86 C LEU A 9 -7.393 -1.441 -7.933 1.00 0.00 C ATOM 87 O LEU A 9 -8.363 -1.262 -7.197 1.00 0.00 O ATOM 88 CB LEU A 9 -8.227 -2.422 -10.225 1.00 0.00 C ATOM 89 CG LEU A 9 -8.269 -1.003 -10.744 1.00 0.00 C ATOM 90 CD1 LEU A 9 -6.898 -0.653 -11.295 1.00 0.00 C ATOM 91 CD2 LEU A 9 -9.330 -0.984 -11.817 1.00 0.00 C ATOM 0 H LEU A 9 -8.720 -3.726 -7.923 1.00 0.00 H new ATOM 0 HA LEU A 9 -6.315 -2.530 -9.338 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -7.855 -3.082 -11.009 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -9.239 -2.749 -9.986 1.00 0.00 H new ATOM 0 HG LEU A 9 -8.509 -0.270 -9.974 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -6.908 0.369 -11.675 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -6.155 -0.738 -10.502 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -6.645 -1.338 -12.104 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -9.409 0.020 -12.233 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -9.061 -1.684 -12.607 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -10.288 -1.274 -11.386 1.00 0.00 H new ATOM 103 N LEU A 10 -6.302 -0.693 -7.902 1.00 0.00 N ATOM 104 CA LEU A 10 -6.197 0.518 -7.070 1.00 0.00 C ATOM 105 C LEU A 10 -6.073 1.724 -7.995 1.00 0.00 C ATOM 106 O LEU A 10 -5.168 1.806 -8.822 1.00 0.00 O ATOM 107 CB LEU A 10 -5.005 0.487 -6.093 1.00 0.00 C ATOM 108 CG LEU A 10 -5.445 0.117 -4.677 1.00 0.00 C ATOM 109 CD1 LEU A 10 -4.353 -0.627 -3.916 1.00 0.00 C ATOM 110 CD2 LEU A 10 -5.803 1.401 -3.921 1.00 0.00 C ATOM 0 H LEU A 10 -5.463 -0.897 -8.445 1.00 0.00 H new ATOM 0 HA LEU A 10 -7.094 0.577 -6.454 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -4.265 -0.232 -6.444 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -4.519 1.463 -6.080 1.00 0.00 H new ATOM 0 HG LEU A 10 -6.307 -0.546 -4.751 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -4.709 -0.870 -2.915 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -4.102 -1.546 -4.445 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -3.467 0.003 -3.843 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -6.119 1.151 -2.908 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -4.931 2.053 -3.878 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -6.614 1.913 -4.438 1.00 0.00 H new ATOM 122 N ILE A 11 -7.019 2.647 -7.883 1.00 0.00 N ATOM 123 CA ILE A 11 -7.085 3.763 -8.836 1.00 0.00 C ATOM 124 C ILE A 11 -6.887 5.073 -8.066 1.00 0.00 C ATOM 125 O ILE A 11 -7.481 5.276 -7.008 1.00 0.00 O ATOM 126 CB ILE A 11 -8.458 3.788 -9.552 1.00 0.00 C ATOM 127 CG1 ILE A 11 -9.026 2.397 -9.896 1.00 0.00 C ATOM 128 CG2 ILE A 11 -8.339 4.607 -10.833 1.00 0.00 C ATOM 129 CD1 ILE A 11 -10.446 2.449 -10.463 1.00 0.00 C ATOM 0 H ILE A 11 -7.740 2.653 -7.161 1.00 0.00 H new ATOM 0 HA ILE A 11 -6.306 3.641 -9.589 1.00 0.00 H new ATOM 0 HB ILE A 11 -9.158 4.236 -8.847 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -8.370 1.913 -10.620 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -9.022 1.778 -8.999 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -9.303 4.628 -11.342 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -8.036 5.625 -10.587 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -7.594 4.154 -11.487 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -10.787 1.438 -10.684 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -11.113 2.905 -9.732 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -10.451 3.042 -11.378 1.00 0.00 H new ATOM 141 N HIS A 12 -6.136 6.009 -8.639 1.00 0.00 N ATOM 142 CA HIS A 12 -6.189 7.390 -8.157 1.00 0.00 C ATOM 143 C HIS A 12 -7.042 8.185 -9.166 1.00 0.00 C ATOM 144 O HIS A 12 -6.780 8.110 -10.367 1.00 0.00 O ATOM 145 CB HIS A 12 -4.755 7.926 -8.103 1.00 0.00 C ATOM 146 CG HIS A 12 -4.644 9.434 -7.940 1.00 0.00 C ATOM 147 ND1 HIS A 12 -5.207 10.206 -6.934 1.00 0.00 N ATOM 148 CD2 HIS A 12 -4.093 10.242 -8.934 1.00 0.00 C ATOM 149 CE1 HIS A 12 -4.905 11.448 -7.444 1.00 0.00 C ATOM 150 NE2 HIS A 12 -4.214 11.570 -8.611 1.00 0.00 N ATOM 0 H HIS A 12 -5.498 5.846 -9.418 1.00 0.00 H new ATOM 0 HA HIS A 12 -6.628 7.472 -7.163 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -4.233 7.446 -7.275 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -4.238 7.634 -9.017 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -3.632 9.872 -9.838 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -5.219 12.335 -6.913 1.00 0.00 H new ATOM 0 HE2 HIS A 12 -3.884 12.402 -9.100 1.00 0.00 H new ATOM 158 N PRO A 13 -8.051 8.951 -8.733 1.00 0.00 N ATOM 159 CA PRO A 13 -9.023 9.561 -9.657 1.00 0.00 C ATOM 160 C PRO A 13 -8.573 10.522 -10.766 1.00 0.00 C ATOM 161 O PRO A 13 -9.396 10.889 -11.602 1.00 0.00 O ATOM 162 CB PRO A 13 -9.869 10.366 -8.677 1.00 0.00 C ATOM 163 CG PRO A 13 -9.942 9.492 -7.433 1.00 0.00 C ATOM 164 CD PRO A 13 -8.542 8.890 -7.346 1.00 0.00 C ATOM 0 HA PRO A 13 -9.456 8.757 -10.252 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -9.413 11.331 -8.458 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -10.862 10.567 -9.080 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -10.185 10.075 -6.545 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -10.707 8.721 -7.527 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -7.903 9.458 -6.669 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -8.569 7.865 -6.975 1.00 0.00 H new ATOM 172 N ALA A 14 -7.371 11.082 -10.712 1.00 0.00 N ATOM 173 CA ALA A 14 -7.116 12.301 -11.506 1.00 0.00 C ATOM 174 C ALA A 14 -7.112 12.131 -13.029 1.00 0.00 C ATOM 175 O ALA A 14 -7.823 12.856 -13.729 1.00 0.00 O ATOM 176 CB ALA A 14 -5.790 12.927 -11.080 1.00 0.00 C ATOM 0 H ALA A 14 -6.585 10.741 -10.159 1.00 0.00 H new ATOM 0 HA ALA A 14 -7.969 12.944 -11.289 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -5.606 13.826 -11.669 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -5.834 13.188 -10.023 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -4.982 12.214 -11.244 1.00 0.00 H new ATOM 182 N VAL A 15 -6.370 11.162 -13.551 1.00 0.00 N ATOM 183 CA VAL A 15 -6.499 10.816 -14.977 1.00 0.00 C ATOM 184 C VAL A 15 -7.605 9.772 -15.188 1.00 0.00 C ATOM 185 O VAL A 15 -8.297 9.772 -16.206 1.00 0.00 O ATOM 186 CB VAL A 15 -5.132 10.357 -15.508 1.00 0.00 C ATOM 187 CG1 VAL A 15 -4.646 9.019 -14.937 1.00 0.00 C ATOM 188 CG2 VAL A 15 -5.118 10.303 -17.038 1.00 0.00 C ATOM 0 H VAL A 15 -5.688 10.610 -13.032 1.00 0.00 H new ATOM 0 HA VAL A 15 -6.802 11.693 -15.549 1.00 0.00 H new ATOM 0 HB VAL A 15 -4.431 11.115 -15.158 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -3.675 8.772 -15.365 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -4.555 9.097 -13.854 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -5.362 8.236 -15.186 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -4.137 9.975 -17.382 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -5.877 9.602 -17.384 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -5.330 11.294 -17.439 1.00 0.00 H new ATOM 198 N THR A 16 -7.736 8.866 -14.225 1.00 0.00 N ATOM 199 CA THR A 16 -8.597 7.693 -14.388 1.00 0.00 C ATOM 200 C THR A 16 -10.099 8.016 -14.371 1.00 0.00 C ATOM 201 O THR A 16 -10.899 7.132 -14.685 1.00 0.00 O ATOM 202 CB THR A 16 -8.260 6.712 -13.264 1.00 0.00 C ATOM 203 OG1 THR A 16 -8.624 7.293 -12.020 1.00 0.00 O ATOM 204 CG2 THR A 16 -6.773 6.332 -13.241 1.00 0.00 C ATOM 0 H THR A 16 -7.260 8.918 -13.325 1.00 0.00 H new ATOM 0 HA THR A 16 -8.403 7.268 -15.373 1.00 0.00 H new ATOM 0 HB THR A 16 -8.822 5.795 -13.442 1.00 0.00 H new ATOM 0 HG1 THR A 16 -7.815 7.541 -11.526 1.00 0.00 H new ATOM 0 HG21 THR A 16 -6.588 5.634 -12.424 1.00 0.00 H new ATOM 0 HG22 THR A 16 -6.503 5.863 -14.187 1.00 0.00 H new ATOM 0 HG23 THR A 16 -6.171 7.229 -13.095 1.00 0.00 H new ATOM 212 N THR A 17 -10.519 9.225 -13.978 1.00 0.00 N ATOM 213 CA THR A 17 -11.964 9.456 -13.767 1.00 0.00 C ATOM 214 C THR A 17 -12.730 9.622 -15.103 1.00 0.00 C ATOM 215 O THR A 17 -13.951 9.775 -15.106 1.00 0.00 O ATOM 216 CB THR A 17 -12.190 10.660 -12.835 1.00 0.00 C ATOM 217 OG1 THR A 17 -13.576 10.778 -12.544 1.00 0.00 O ATOM 218 CG2 THR A 17 -11.697 11.988 -13.422 1.00 0.00 C ATOM 0 H THR A 17 -9.915 10.029 -13.805 1.00 0.00 H new ATOM 0 HA THR A 17 -12.371 8.568 -13.283 1.00 0.00 H new ATOM 0 HB THR A 17 -11.607 10.468 -11.934 1.00 0.00 H new ATOM 0 HG1 THR A 17 -14.098 10.376 -13.269 1.00 0.00 H new ATOM 0 HG21 THR A 17 -11.888 12.793 -12.712 1.00 0.00 H new ATOM 0 HG22 THR A 17 -10.627 11.924 -13.619 1.00 0.00 H new ATOM 0 HG23 THR A 17 -12.225 12.193 -14.353 1.00 0.00 H new ATOM 226 N THR A 18 -12.034 9.518 -16.237 1.00 0.00 N ATOM 227 CA THR A 18 -12.710 9.376 -17.530 1.00 0.00 C ATOM 228 C THR A 18 -12.683 7.853 -17.872 1.00 0.00 C ATOM 229 O THR A 18 -11.961 7.097 -17.219 1.00 0.00 O ATOM 230 CB THR A 18 -11.806 10.294 -18.402 1.00 0.00 C ATOM 231 OG1 THR A 18 -11.948 11.632 -17.938 1.00 0.00 O ATOM 232 CG2 THR A 18 -12.053 10.336 -19.912 1.00 0.00 C ATOM 0 H THR A 18 -11.015 9.529 -16.288 1.00 0.00 H new ATOM 0 HA THR A 18 -13.757 9.661 -17.631 1.00 0.00 H new ATOM 0 HB THR A 18 -10.817 9.851 -18.285 1.00 0.00 H new ATOM 0 HG1 THR A 18 -11.383 12.226 -18.475 1.00 0.00 H new ATOM 0 HG21 THR A 18 -11.344 11.020 -20.378 1.00 0.00 H new ATOM 0 HG22 THR A 18 -11.923 9.338 -20.330 1.00 0.00 H new ATOM 0 HG23 THR A 18 -13.069 10.680 -20.105 1.00 0.00 H new ATOM 240 N PRO A 19 -13.416 7.334 -18.870 1.00 0.00 N ATOM 241 CA PRO A 19 -13.526 5.863 -19.030 1.00 0.00 C ATOM 242 C PRO A 19 -12.337 5.117 -19.661 1.00 0.00 C ATOM 243 O PRO A 19 -12.404 3.897 -19.808 1.00 0.00 O ATOM 244 CB PRO A 19 -14.811 5.672 -19.847 1.00 0.00 C ATOM 245 CG PRO A 19 -15.135 7.048 -20.424 1.00 0.00 C ATOM 246 CD PRO A 19 -14.626 8.006 -19.355 1.00 0.00 C ATOM 0 HA PRO A 19 -13.537 5.409 -18.039 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -14.667 4.938 -20.640 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -15.625 5.308 -19.220 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -14.637 7.211 -21.380 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -16.204 7.170 -20.597 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -14.405 8.991 -19.766 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -15.356 8.149 -18.559 1.00 0.00 H new ATOM 254 N GLU A 20 -11.280 5.798 -20.094 1.00 0.00 N ATOM 255 CA GLU A 20 -10.289 5.134 -20.962 1.00 0.00 C ATOM 256 C GLU A 20 -9.376 4.142 -20.230 1.00 0.00 C ATOM 257 O GLU A 20 -9.244 2.999 -20.669 1.00 0.00 O ATOM 258 CB GLU A 20 -9.434 6.188 -21.675 1.00 0.00 C ATOM 259 CG GLU A 20 -10.233 7.035 -22.672 1.00 0.00 C ATOM 260 CD GLU A 20 -9.349 8.087 -23.331 1.00 0.00 C ATOM 261 OE1 GLU A 20 -8.749 7.793 -24.385 1.00 0.00 O ATOM 262 OE2 GLU A 20 -9.252 9.213 -22.796 1.00 0.00 O ATOM 0 H GLU A 20 -11.083 6.774 -19.873 1.00 0.00 H new ATOM 0 HA GLU A 20 -10.864 4.548 -21.679 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -8.981 6.844 -20.931 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -8.619 5.691 -22.201 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -10.667 6.390 -23.436 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -11.062 7.522 -22.158 1.00 0.00 H new ATOM 269 N LEU A 21 -8.754 4.541 -19.118 1.00 0.00 N ATOM 270 CA LEU A 21 -7.880 3.608 -18.381 1.00 0.00 C ATOM 271 C LEU A 21 -8.672 2.473 -17.705 1.00 0.00 C ATOM 272 O LEU A 21 -8.156 1.368 -17.541 1.00 0.00 O ATOM 273 CB LEU A 21 -7.028 4.350 -17.338 1.00 0.00 C ATOM 274 CG LEU A 21 -5.929 5.248 -17.936 1.00 0.00 C ATOM 275 CD1 LEU A 21 -6.470 6.594 -18.433 1.00 0.00 C ATOM 276 CD2 LEU A 21 -4.852 5.513 -16.879 1.00 0.00 C ATOM 0 H LEU A 21 -8.831 5.474 -18.713 1.00 0.00 H new ATOM 0 HA LEU A 21 -7.219 3.156 -19.120 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -7.684 4.963 -16.720 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -6.563 3.617 -16.679 1.00 0.00 H new ATOM 0 HG LEU A 21 -5.516 4.716 -18.793 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -5.652 7.186 -18.844 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -7.218 6.422 -19.207 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -6.925 7.133 -17.602 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -4.075 6.149 -17.303 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -5.300 6.012 -16.020 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -4.414 4.567 -16.561 1.00 0.00 H new ATOM 288 N VAL A 22 -9.917 2.738 -17.313 1.00 0.00 N ATOM 289 CA VAL A 22 -10.771 1.691 -16.720 1.00 0.00 C ATOM 290 C VAL A 22 -11.192 0.654 -17.776 1.00 0.00 C ATOM 291 O VAL A 22 -11.084 -0.544 -17.525 1.00 0.00 O ATOM 292 CB VAL A 22 -11.951 2.381 -16.006 1.00 0.00 C ATOM 293 CG1 VAL A 22 -13.112 1.433 -15.686 1.00 0.00 C ATOM 294 CG2 VAL A 22 -11.470 3.013 -14.693 1.00 0.00 C ATOM 0 H VAL A 22 -10.359 3.654 -17.390 1.00 0.00 H new ATOM 0 HA VAL A 22 -10.223 1.115 -15.975 1.00 0.00 H new ATOM 0 HB VAL A 22 -12.321 3.136 -16.700 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -13.906 1.986 -15.185 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -13.497 1.004 -16.611 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -12.760 0.633 -15.034 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -12.309 3.499 -14.194 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -11.061 2.238 -14.044 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -10.698 3.752 -14.906 1.00 0.00 H new ATOM 304 N GLU A 23 -11.647 1.079 -18.955 1.00 0.00 N ATOM 305 CA GLU A 23 -11.978 0.112 -20.020 1.00 0.00 C ATOM 306 C GLU A 23 -10.765 -0.714 -20.489 1.00 0.00 C ATOM 307 O GLU A 23 -10.905 -1.897 -20.791 1.00 0.00 O ATOM 308 CB GLU A 23 -12.590 0.845 -21.221 1.00 0.00 C ATOM 309 CG GLU A 23 -13.994 1.405 -20.948 1.00 0.00 C ATOM 310 CD GLU A 23 -15.027 0.305 -20.733 1.00 0.00 C ATOM 311 OE1 GLU A 23 -15.494 -0.287 -21.731 1.00 0.00 O ATOM 312 OE2 GLU A 23 -15.379 0.029 -19.565 1.00 0.00 O ATOM 0 H GLU A 23 -11.794 2.058 -19.200 1.00 0.00 H new ATOM 0 HA GLU A 23 -12.696 -0.587 -19.591 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -11.931 1.664 -21.511 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -12.639 0.160 -22.068 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -13.961 2.046 -20.067 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -14.302 2.030 -21.786 1.00 0.00 H new ATOM 319 N ASN A 24 -9.583 -0.107 -20.540 1.00 0.00 N ATOM 320 CA ASN A 24 -8.354 -0.833 -20.903 1.00 0.00 C ATOM 321 C ASN A 24 -7.937 -1.889 -19.878 1.00 0.00 C ATOM 322 O ASN A 24 -7.611 -3.021 -20.230 1.00 0.00 O ATOM 323 CB ASN A 24 -7.250 0.221 -20.999 1.00 0.00 C ATOM 324 CG ASN A 24 -6.379 0.056 -22.237 1.00 0.00 C ATOM 325 OD1 ASN A 24 -5.353 -0.622 -22.225 1.00 0.00 O ATOM 326 ND2 ASN A 24 -6.790 0.682 -23.326 1.00 0.00 N ATOM 0 H ASN A 24 -9.443 0.883 -20.337 1.00 0.00 H new ATOM 0 HA ASN A 24 -8.529 -1.370 -21.835 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -7.702 1.213 -21.008 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -6.623 0.165 -20.109 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -6.252 0.610 -24.189 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -7.646 1.237 -23.303 1.00 0.00 H new ATOM 333 N THR A 25 -7.949 -1.508 -18.604 1.00 0.00 N ATOM 334 CA THR A 25 -7.671 -2.447 -17.518 1.00 0.00 C ATOM 335 C THR A 25 -8.658 -3.626 -17.515 1.00 0.00 C ATOM 336 O THR A 25 -8.254 -4.787 -17.433 1.00 0.00 O ATOM 337 CB THR A 25 -7.727 -1.596 -16.243 1.00 0.00 C ATOM 338 OG1 THR A 25 -6.713 -0.604 -16.301 1.00 0.00 O ATOM 339 CG2 THR A 25 -7.487 -2.431 -15.007 1.00 0.00 C ATOM 0 H THR A 25 -8.148 -0.556 -18.297 1.00 0.00 H new ATOM 0 HA THR A 25 -6.698 -2.929 -17.619 1.00 0.00 H new ATOM 0 HB THR A 25 -8.720 -1.150 -16.184 1.00 0.00 H new ATOM 0 HG1 THR A 25 -7.042 0.171 -16.803 1.00 0.00 H new ATOM 0 HG21 THR A 25 -7.534 -1.795 -14.123 1.00 0.00 H new ATOM 0 HG22 THR A 25 -8.251 -3.206 -14.937 1.00 0.00 H new ATOM 0 HG23 THR A 25 -6.503 -2.896 -15.067 1.00 0.00 H new ATOM 347 N LYS A 26 -9.946 -3.332 -17.666 1.00 0.00 N ATOM 348 CA LYS A 26 -10.945 -4.386 -17.877 1.00 0.00 C ATOM 349 C LYS A 26 -10.739 -5.158 -19.195 1.00 0.00 C ATOM 350 O LYS A 26 -11.081 -6.340 -19.254 1.00 0.00 O ATOM 351 CB LYS A 26 -12.346 -3.756 -17.827 1.00 0.00 C ATOM 352 CG LYS A 26 -12.659 -3.069 -16.487 1.00 0.00 C ATOM 353 CD LYS A 26 -12.720 -4.063 -15.322 1.00 0.00 C ATOM 354 CE LYS A 26 -13.159 -3.406 -14.009 1.00 0.00 C ATOM 355 NZ LYS A 26 -12.157 -2.437 -13.531 1.00 0.00 N ATOM 0 H LYS A 26 -10.324 -2.385 -17.647 1.00 0.00 H new ATOM 0 HA LYS A 26 -10.831 -5.122 -17.081 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -12.437 -3.026 -18.631 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -13.091 -4.530 -18.013 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -11.897 -2.317 -16.280 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -13.611 -2.545 -16.564 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -13.413 -4.867 -15.571 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -11.739 -4.518 -15.186 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -14.114 -2.902 -14.154 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -13.316 -4.173 -13.251 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -12.468 -2.035 -12.624 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -11.244 -2.917 -13.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -12.051 -1.674 -14.230 1.00 0.00 H new ATOM 369 N ALA A 27 -10.187 -4.543 -20.250 1.00 0.00 N ATOM 370 CA ALA A 27 -9.914 -5.304 -21.483 1.00 0.00 C ATOM 371 C ALA A 27 -8.784 -6.332 -21.327 1.00 0.00 C ATOM 372 O ALA A 27 -8.907 -7.471 -21.783 1.00 0.00 O ATOM 373 CB ALA A 27 -9.614 -4.337 -22.631 1.00 0.00 C ATOM 0 H ALA A 27 -9.928 -3.557 -20.280 1.00 0.00 H new ATOM 0 HA ALA A 27 -10.812 -5.879 -21.709 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -9.413 -4.903 -23.540 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -10.473 -3.685 -22.792 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -8.742 -3.733 -22.379 1.00 0.00 H new ATOM 379 N GLN A 28 -7.695 -5.948 -20.663 1.00 0.00 N ATOM 380 CA GLN A 28 -6.635 -6.909 -20.310 1.00 0.00 C ATOM 381 C GLN A 28 -7.174 -8.068 -19.466 1.00 0.00 C ATOM 382 O GLN A 28 -6.970 -9.236 -19.802 1.00 0.00 O ATOM 383 CB GLN A 28 -5.586 -6.224 -19.435 1.00 0.00 C ATOM 384 CG GLN A 28 -4.729 -5.166 -20.135 1.00 0.00 C ATOM 385 CD GLN A 28 -3.799 -4.528 -19.109 1.00 0.00 C ATOM 386 OE1 GLN A 28 -4.386 -3.879 -18.118 1.00 0.00 O flip ATOM 387 NE2 GLN A 28 -2.576 -4.647 -19.171 1.00 0.00 N flip ATOM 0 H GLN A 28 -7.518 -4.991 -20.359 1.00 0.00 H new ATOM 0 HA GLN A 28 -6.225 -7.275 -21.251 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -6.093 -5.755 -18.591 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -4.925 -6.988 -19.026 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -4.149 -5.621 -20.938 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -5.365 -4.407 -20.591 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -2.152 -5.154 -19.948 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -1.986 -4.239 -18.445 1.00 0.00 H new ATOM 396 N ALA A 29 -7.859 -7.734 -18.370 1.00 0.00 N ATOM 397 CA ALA A 29 -8.476 -8.765 -17.515 1.00 0.00 C ATOM 398 C ALA A 29 -9.331 -9.747 -18.329 1.00 0.00 C ATOM 399 O ALA A 29 -9.254 -10.961 -18.134 1.00 0.00 O ATOM 400 CB ALA A 29 -9.313 -8.079 -16.434 1.00 0.00 C ATOM 0 H ALA A 29 -8.002 -6.775 -18.052 1.00 0.00 H new ATOM 0 HA ALA A 29 -7.684 -9.352 -17.049 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -9.773 -8.834 -15.797 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -8.672 -7.436 -15.831 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -10.091 -7.477 -16.904 1.00 0.00 H new ATOM 406 N ALA A 30 -10.159 -9.229 -19.233 1.00 0.00 N ATOM 407 CA ALA A 30 -11.149 -10.097 -19.892 1.00 0.00 C ATOM 408 C ALA A 30 -10.456 -11.047 -20.886 1.00 0.00 C ATOM 409 O ALA A 30 -10.705 -12.252 -20.864 1.00 0.00 O ATOM 410 CB ALA A 30 -12.194 -9.227 -20.598 1.00 0.00 C ATOM 0 H ALA A 30 -10.172 -8.251 -19.523 1.00 0.00 H new ATOM 0 HA ALA A 30 -11.649 -10.711 -19.143 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -12.929 -9.866 -21.087 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -12.694 -8.593 -19.866 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -11.703 -8.602 -21.344 1.00 0.00 H new ATOM 416 N SER A 31 -9.611 -10.520 -21.775 1.00 0.00 N ATOM 417 CA SER A 31 -9.072 -11.332 -22.876 1.00 0.00 C ATOM 418 C SER A 31 -7.973 -12.311 -22.413 1.00 0.00 C ATOM 419 O SER A 31 -7.834 -13.402 -22.964 1.00 0.00 O ATOM 420 CB SER A 31 -8.529 -10.387 -23.953 1.00 0.00 C ATOM 421 OG SER A 31 -8.094 -11.129 -25.084 1.00 0.00 O ATOM 0 H SER A 31 -9.288 -9.553 -21.759 1.00 0.00 H new ATOM 0 HA SER A 31 -9.878 -11.948 -23.275 1.00 0.00 H new ATOM 0 HB2 SER A 31 -9.303 -9.679 -24.249 1.00 0.00 H new ATOM 0 HB3 SER A 31 -7.700 -9.804 -23.551 1.00 0.00 H new ATOM 0 HG SER A 31 -7.751 -10.515 -25.766 1.00 0.00 H new ATOM 427 N LYS A 32 -7.232 -11.949 -21.363 1.00 0.00 N ATOM 428 CA LYS A 32 -6.302 -12.879 -20.715 1.00 0.00 C ATOM 429 C LYS A 32 -7.000 -13.741 -19.651 1.00 0.00 C ATOM 430 O LYS A 32 -7.973 -14.441 -19.942 1.00 0.00 O ATOM 431 CB LYS A 32 -5.139 -12.026 -20.169 1.00 0.00 C ATOM 432 CG LYS A 32 -4.361 -11.280 -21.263 1.00 0.00 C ATOM 433 CD LYS A 32 -3.216 -10.453 -20.664 1.00 0.00 C ATOM 434 CE LYS A 32 -2.458 -9.644 -21.724 1.00 0.00 C ATOM 435 NZ LYS A 32 -1.736 -10.522 -22.658 1.00 0.00 N ATOM 0 H LYS A 32 -7.257 -11.020 -20.943 1.00 0.00 H new ATOM 0 HA LYS A 32 -5.911 -13.611 -21.421 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -5.533 -11.302 -19.456 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -4.452 -12.671 -19.621 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -3.959 -11.996 -21.980 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -5.038 -10.625 -21.812 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -3.618 -9.774 -19.912 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -2.520 -11.119 -20.153 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -3.160 -9.020 -22.278 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -1.752 -8.973 -21.235 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -1.167 -9.944 -23.309 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -1.111 -11.158 -22.123 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -2.419 -11.086 -23.203 1.00 0.00 H new ATOM 449 N LYS A 33 -6.446 -13.762 -18.444 1.00 0.00 N ATOM 450 CA LYS A 33 -6.821 -14.779 -17.442 1.00 0.00 C ATOM 451 C LYS A 33 -6.957 -14.247 -16.006 1.00 0.00 C ATOM 452 O LYS A 33 -7.268 -15.003 -15.086 1.00 0.00 O ATOM 453 CB LYS A 33 -5.742 -15.874 -17.447 1.00 0.00 C ATOM 454 CG LYS A 33 -6.278 -17.277 -17.150 1.00 0.00 C ATOM 455 CD LYS A 33 -7.187 -17.760 -18.283 1.00 0.00 C ATOM 456 CE LYS A 33 -7.459 -19.262 -18.178 1.00 0.00 C ATOM 457 NZ LYS A 33 -8.346 -19.696 -19.267 1.00 0.00 N ATOM 0 H LYS A 33 -5.741 -13.097 -18.128 1.00 0.00 H new ATOM 0 HA LYS A 33 -7.807 -15.146 -17.728 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -5.251 -15.882 -18.420 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -4.981 -15.623 -16.708 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -5.446 -17.970 -17.024 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -6.832 -17.269 -16.211 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -8.130 -17.215 -18.252 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -6.722 -17.539 -19.244 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -6.520 -19.813 -18.223 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -7.916 -19.490 -17.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -8.523 -20.718 -19.184 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -9.248 -19.182 -19.206 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -7.895 -19.496 -20.183 1.00 0.00 H new ATOM 471 N VAL A 34 -6.760 -12.951 -15.811 1.00 0.00 N ATOM 472 CA VAL A 34 -7.072 -12.317 -14.519 1.00 0.00 C ATOM 473 C VAL A 34 -8.431 -11.593 -14.537 1.00 0.00 C ATOM 474 O VAL A 34 -8.868 -11.060 -15.555 1.00 0.00 O ATOM 475 CB VAL A 34 -5.880 -11.420 -14.109 1.00 0.00 C ATOM 476 CG1 VAL A 34 -5.452 -10.386 -15.148 1.00 0.00 C ATOM 477 CG2 VAL A 34 -6.159 -10.665 -12.812 1.00 0.00 C ATOM 0 H VAL A 34 -6.390 -12.315 -16.518 1.00 0.00 H new ATOM 0 HA VAL A 34 -7.195 -13.080 -13.750 1.00 0.00 H new ATOM 0 HB VAL A 34 -5.066 -12.136 -13.993 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -4.610 -9.810 -14.763 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -5.155 -10.894 -16.066 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -6.285 -9.715 -15.358 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -5.298 -10.047 -12.559 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -7.036 -10.031 -12.942 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -6.343 -11.378 -12.008 1.00 0.00 H new ATOM 487 N LYS A 35 -9.077 -11.545 -13.370 1.00 0.00 N ATOM 488 CA LYS A 35 -10.269 -10.707 -13.175 1.00 0.00 C ATOM 489 C LYS A 35 -9.998 -9.749 -12.013 1.00 0.00 C ATOM 490 O LYS A 35 -9.355 -10.103 -11.023 1.00 0.00 O ATOM 491 CB LYS A 35 -11.515 -11.559 -12.877 1.00 0.00 C ATOM 492 CG LYS A 35 -11.366 -12.535 -11.698 1.00 0.00 C ATOM 493 CD LYS A 35 -12.684 -13.236 -11.344 1.00 0.00 C ATOM 494 CE LYS A 35 -13.161 -14.196 -12.437 1.00 0.00 C ATOM 495 NZ LYS A 35 -14.418 -14.842 -12.029 1.00 0.00 N ATOM 0 H LYS A 35 -8.797 -12.075 -12.545 1.00 0.00 H new ATOM 0 HA LYS A 35 -10.468 -10.151 -14.091 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -12.353 -10.892 -12.674 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -11.770 -12.128 -13.771 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -10.614 -13.285 -11.944 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -11.001 -11.993 -10.826 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -12.557 -13.788 -10.413 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -13.453 -12.484 -11.167 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -13.309 -13.652 -13.370 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -12.399 -14.952 -12.626 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -14.733 -15.492 -12.777 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -14.265 -15.376 -11.150 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -15.146 -14.116 -11.871 1.00 0.00 H new ATOM 509 N PHE A 36 -10.513 -8.528 -12.127 1.00 0.00 N ATOM 510 CA PHE A 36 -10.357 -7.549 -11.036 1.00 0.00 C ATOM 511 C PHE A 36 -11.680 -7.421 -10.273 1.00 0.00 C ATOM 512 O PHE A 36 -12.641 -6.792 -10.722 1.00 0.00 O ATOM 513 CB PHE A 36 -9.814 -6.190 -11.501 1.00 0.00 C ATOM 514 CG PHE A 36 -8.502 -6.288 -12.270 1.00 0.00 C ATOM 515 CD1 PHE A 36 -7.413 -6.893 -11.718 1.00 0.00 C ATOM 516 CD2 PHE A 36 -8.418 -5.772 -13.527 1.00 0.00 C ATOM 517 CE1 PHE A 36 -6.266 -7.016 -12.435 1.00 0.00 C ATOM 518 CE2 PHE A 36 -7.267 -5.887 -14.238 1.00 0.00 C ATOM 519 CZ PHE A 36 -6.197 -6.523 -13.697 1.00 0.00 C ATOM 0 H PHE A 36 -11.031 -8.191 -12.939 1.00 0.00 H new ATOM 0 HA PHE A 36 -9.592 -7.927 -10.358 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -10.560 -5.707 -12.132 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -9.669 -5.549 -10.631 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -7.462 -7.275 -10.709 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -9.270 -5.269 -13.960 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -5.408 -7.507 -12.000 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -7.203 -5.473 -15.233 1.00 0.00 H new ATOM 0 HZ PHE A 36 -5.290 -6.637 -14.272 1.00 0.00 H new ATOM 529 N VAL A 37 -11.724 -8.101 -9.132 1.00 0.00 N ATOM 530 CA VAL A 37 -12.972 -8.222 -8.348 1.00 0.00 C ATOM 531 C VAL A 37 -13.306 -6.948 -7.559 1.00 0.00 C ATOM 532 O VAL A 37 -14.479 -6.585 -7.446 1.00 0.00 O ATOM 533 CB VAL A 37 -12.938 -9.434 -7.384 1.00 0.00 C ATOM 534 CG1 VAL A 37 -14.290 -9.665 -6.719 1.00 0.00 C ATOM 535 CG2 VAL A 37 -12.608 -10.741 -8.100 1.00 0.00 C ATOM 0 H VAL A 37 -10.921 -8.578 -8.722 1.00 0.00 H new ATOM 0 HA VAL A 37 -13.760 -8.379 -9.085 1.00 0.00 H new ATOM 0 HB VAL A 37 -12.167 -9.183 -6.655 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -14.225 -10.524 -6.051 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -14.570 -8.780 -6.147 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -15.043 -9.856 -7.483 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -12.597 -11.558 -7.379 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -13.362 -10.939 -8.861 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -11.629 -10.660 -8.572 1.00 0.00 H new ATOM 545 N ASP A 38 -12.305 -6.304 -6.963 1.00 0.00 N ATOM 546 CA ASP A 38 -12.583 -5.168 -6.068 1.00 0.00 C ATOM 547 C ASP A 38 -11.866 -3.909 -6.560 1.00 0.00 C ATOM 548 O ASP A 38 -11.064 -3.932 -7.497 1.00 0.00 O ATOM 549 CB ASP A 38 -12.214 -5.522 -4.617 1.00 0.00 C ATOM 550 CG ASP A 38 -13.228 -6.461 -3.970 1.00 0.00 C ATOM 551 OD1 ASP A 38 -13.174 -7.682 -4.228 1.00 0.00 O ATOM 552 OD2 ASP A 38 -14.086 -5.979 -3.196 1.00 0.00 O ATOM 0 H ASP A 38 -11.318 -6.536 -7.074 1.00 0.00 H new ATOM 0 HA ASP A 38 -13.652 -4.955 -6.085 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -11.229 -5.988 -4.599 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -12.144 -4.607 -4.029 1.00 0.00 H new ATOM 557 N GLN A 39 -12.219 -2.783 -5.948 1.00 0.00 N ATOM 558 CA GLN A 39 -11.874 -1.476 -6.529 1.00 0.00 C ATOM 559 C GLN A 39 -11.578 -0.535 -5.384 1.00 0.00 C ATOM 560 O GLN A 39 -12.468 -0.200 -4.601 1.00 0.00 O ATOM 561 CB GLN A 39 -13.035 -0.862 -7.327 1.00 0.00 C ATOM 562 CG GLN A 39 -13.841 -1.911 -8.083 1.00 0.00 C ATOM 563 CD GLN A 39 -14.841 -1.295 -9.056 1.00 0.00 C ATOM 564 OE1 GLN A 39 -15.936 -0.886 -8.680 1.00 0.00 O ATOM 565 NE2 GLN A 39 -14.474 -1.222 -10.324 1.00 0.00 N ATOM 0 H GLN A 39 -12.733 -2.740 -5.068 1.00 0.00 H new ATOM 0 HA GLN A 39 -11.029 -1.618 -7.203 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -13.694 -0.322 -6.647 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -12.640 -0.132 -8.034 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -13.160 -2.561 -8.632 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -14.374 -2.538 -7.369 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -13.559 -1.569 -10.611 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -15.106 -0.819 -11.015 1.00 0.00 H new ATOM 574 N PHE A 40 -10.328 -0.120 -5.273 1.00 0.00 N ATOM 575 CA PHE A 40 -9.940 0.689 -4.109 1.00 0.00 C ATOM 576 C PHE A 40 -9.457 2.042 -4.630 1.00 0.00 C ATOM 577 O PHE A 40 -8.519 2.127 -5.419 1.00 0.00 O ATOM 578 CB PHE A 40 -8.881 -0.021 -3.246 1.00 0.00 C ATOM 579 CG PHE A 40 -9.257 -1.355 -2.606 1.00 0.00 C ATOM 580 CD1 PHE A 40 -10.536 -1.816 -2.545 1.00 0.00 C ATOM 581 CD2 PHE A 40 -8.244 -2.147 -2.163 1.00 0.00 C ATOM 582 CE1 PHE A 40 -10.792 -3.080 -2.124 1.00 0.00 C ATOM 583 CE2 PHE A 40 -8.498 -3.408 -1.726 1.00 0.00 C ATOM 584 CZ PHE A 40 -9.772 -3.882 -1.723 1.00 0.00 C ATOM 0 H PHE A 40 -9.583 -0.315 -5.941 1.00 0.00 H new ATOM 0 HA PHE A 40 -10.794 0.835 -3.448 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -8.000 -0.184 -3.866 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -8.588 0.661 -2.448 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -11.353 -1.171 -2.834 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -7.232 -1.771 -2.159 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -11.807 -3.449 -2.108 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -7.688 -4.034 -1.381 1.00 0.00 H new ATOM 0 HZ PHE A 40 -9.973 -4.894 -1.403 1.00 0.00 H new ATOM 594 N LEU A 41 -10.117 3.116 -4.211 1.00 0.00 N ATOM 595 CA LEU A 41 -9.664 4.459 -4.576 1.00 0.00 C ATOM 596 C LEU A 41 -8.656 4.909 -3.513 1.00 0.00 C ATOM 597 O LEU A 41 -8.732 4.513 -2.349 1.00 0.00 O ATOM 598 CB LEU A 41 -10.871 5.412 -4.601 1.00 0.00 C ATOM 599 CG LEU A 41 -11.845 5.280 -5.790 1.00 0.00 C ATOM 600 CD1 LEU A 41 -11.136 5.519 -7.123 1.00 0.00 C ATOM 601 CD2 LEU A 41 -12.582 3.938 -5.828 1.00 0.00 C ATOM 0 H LEU A 41 -10.954 3.089 -3.628 1.00 0.00 H new ATOM 0 HA LEU A 41 -9.200 4.464 -5.562 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -11.438 5.265 -3.681 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -10.495 6.435 -4.583 1.00 0.00 H new ATOM 0 HG LEU A 41 -12.595 6.055 -5.636 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -11.852 5.418 -7.939 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -10.712 6.523 -7.134 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -10.338 4.786 -7.247 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -13.250 3.914 -6.689 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -11.858 3.127 -5.908 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -13.164 3.816 -4.914 1.00 0.00 H new ATOM 613 N ILE A 42 -7.700 5.744 -3.905 1.00 0.00 N ATOM 614 CA ILE A 42 -6.659 6.181 -2.959 1.00 0.00 C ATOM 615 C ILE A 42 -7.219 6.990 -1.770 1.00 0.00 C ATOM 616 O ILE A 42 -6.807 6.767 -0.629 1.00 0.00 O ATOM 617 CB ILE A 42 -5.535 6.861 -3.776 1.00 0.00 C ATOM 618 CG1 ILE A 42 -4.293 7.186 -2.949 1.00 0.00 C ATOM 619 CG2 ILE A 42 -5.944 8.161 -4.474 1.00 0.00 C ATOM 620 CD1 ILE A 42 -3.824 5.993 -2.125 1.00 0.00 C ATOM 0 H ILE A 42 -7.617 6.129 -4.846 1.00 0.00 H new ATOM 0 HA ILE A 42 -6.219 5.326 -2.446 1.00 0.00 H new ATOM 0 HB ILE A 42 -5.315 6.101 -4.526 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -3.490 7.506 -3.613 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -4.509 8.022 -2.284 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -5.092 8.564 -5.021 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -6.759 7.960 -5.169 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -6.273 8.886 -3.729 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -2.939 6.271 -1.553 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -4.617 5.689 -1.441 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -3.581 5.164 -2.790 1.00 0.00 H new ATOM 632 N ASN A 43 -8.190 7.872 -2.000 1.00 0.00 N ATOM 633 CA ASN A 43 -8.818 8.592 -0.879 1.00 0.00 C ATOM 634 C ASN A 43 -9.825 7.731 -0.086 1.00 0.00 C ATOM 635 O ASN A 43 -9.980 7.932 1.119 1.00 0.00 O ATOM 636 CB ASN A 43 -9.498 9.847 -1.450 1.00 0.00 C ATOM 637 CG ASN A 43 -10.008 10.793 -0.364 1.00 0.00 C ATOM 638 OD1 ASN A 43 -9.234 11.402 0.375 1.00 0.00 O ATOM 639 ND2 ASN A 43 -11.317 10.930 -0.252 1.00 0.00 N ATOM 0 H ASN A 43 -8.556 8.105 -2.923 1.00 0.00 H new ATOM 0 HA ASN A 43 -8.043 8.859 -0.161 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -8.791 10.380 -2.086 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -10.332 9.546 -2.083 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -11.706 11.551 0.458 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -11.939 10.415 -0.875 1.00 0.00 H new ATOM 646 N LYS A 44 -10.493 6.765 -0.721 1.00 0.00 N ATOM 647 CA LYS A 44 -11.491 5.952 -0.011 1.00 0.00 C ATOM 648 C LYS A 44 -10.868 4.820 0.817 1.00 0.00 C ATOM 649 O LYS A 44 -11.370 4.508 1.895 1.00 0.00 O ATOM 650 CB LYS A 44 -12.479 5.368 -1.024 1.00 0.00 C ATOM 651 CG LYS A 44 -13.308 6.442 -1.737 1.00 0.00 C ATOM 652 CD LYS A 44 -14.359 5.813 -2.654 1.00 0.00 C ATOM 653 CE LYS A 44 -15.157 6.887 -3.396 1.00 0.00 C ATOM 654 NZ LYS A 44 -16.154 6.261 -4.281 1.00 0.00 N ATOM 0 H LYS A 44 -10.367 6.527 -1.705 1.00 0.00 H new ATOM 0 HA LYS A 44 -12.002 6.610 0.692 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -11.930 4.788 -1.766 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -13.150 4.678 -0.513 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -13.799 7.076 -0.998 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -12.650 7.085 -2.322 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -13.871 5.156 -3.374 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -15.036 5.194 -2.065 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -15.655 7.540 -2.679 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -14.482 7.512 -3.981 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -16.689 7.001 -4.779 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -15.671 5.656 -4.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -16.807 5.683 -3.714 1.00 0.00 H new ATOM 668 N LEU A 45 -9.785 4.200 0.346 1.00 0.00 N ATOM 669 CA LEU A 45 -9.102 3.174 1.159 1.00 0.00 C ATOM 670 C LEU A 45 -8.399 3.763 2.387 1.00 0.00 C ATOM 671 O LEU A 45 -8.461 3.217 3.489 1.00 0.00 O ATOM 672 CB LEU A 45 -8.026 2.533 0.280 1.00 0.00 C ATOM 673 CG LEU A 45 -7.528 1.178 0.811 1.00 0.00 C ATOM 674 CD1 LEU A 45 -8.643 0.128 0.844 1.00 0.00 C ATOM 675 CD2 LEU A 45 -6.381 0.663 -0.060 1.00 0.00 C ATOM 0 H LEU A 45 -9.366 4.378 -0.567 1.00 0.00 H new ATOM 0 HA LEU A 45 -9.853 2.465 1.507 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -8.423 2.396 -0.726 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -7.180 3.216 0.199 1.00 0.00 H new ATOM 0 HG LEU A 45 -7.183 1.339 1.832 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -8.246 -0.813 1.226 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -9.448 0.472 1.494 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -9.030 -0.024 -0.164 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -6.035 -0.297 0.324 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -6.730 0.539 -1.085 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -5.559 1.379 -0.040 1.00 0.00 H new ATOM 687 N ASN A 46 -7.772 4.915 2.182 1.00 0.00 N ATOM 688 CA ASN A 46 -7.167 5.663 3.298 1.00 0.00 C ATOM 689 C ASN A 46 -8.209 6.202 4.300 1.00 0.00 C ATOM 690 O ASN A 46 -7.919 6.358 5.486 1.00 0.00 O ATOM 691 CB ASN A 46 -6.347 6.793 2.668 1.00 0.00 C ATOM 692 CG ASN A 46 -5.466 7.534 3.674 1.00 0.00 C ATOM 693 OD1 ASN A 46 -4.518 6.982 4.230 1.00 0.00 O ATOM 694 ND2 ASN A 46 -5.766 8.797 3.916 1.00 0.00 N ATOM 0 H ASN A 46 -7.665 5.355 1.268 1.00 0.00 H new ATOM 0 HA ASN A 46 -6.537 5.000 3.892 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -5.718 6.380 1.880 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -7.024 7.504 2.196 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -5.206 9.337 4.576 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -6.557 9.233 3.442 1.00 0.00 H new ATOM 701 N ASP A 47 -9.425 6.460 3.825 1.00 0.00 N ATOM 702 CA ASP A 47 -10.530 6.832 4.728 1.00 0.00 C ATOM 703 C ASP A 47 -11.151 5.601 5.418 1.00 0.00 C ATOM 704 O ASP A 47 -11.494 5.675 6.599 1.00 0.00 O ATOM 705 CB ASP A 47 -11.584 7.660 3.969 1.00 0.00 C ATOM 706 CG ASP A 47 -12.705 8.161 4.874 1.00 0.00 C ATOM 707 OD1 ASP A 47 -12.503 9.176 5.578 1.00 0.00 O ATOM 708 OD2 ASP A 47 -13.792 7.547 4.886 1.00 0.00 O ATOM 0 H ASP A 47 -9.676 6.422 2.837 1.00 0.00 H new ATOM 0 HA ASP A 47 -10.121 7.454 5.524 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -11.097 8.512 3.495 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -12.011 7.053 3.171 1.00 0.00 H new ATOM 713 N GLY A 48 -11.303 4.478 4.713 1.00 0.00 N ATOM 714 CA GLY A 48 -11.805 3.255 5.356 1.00 0.00 C ATOM 715 C GLY A 48 -13.208 2.793 4.928 1.00 0.00 C ATOM 716 O GLY A 48 -13.817 1.976 5.619 1.00 0.00 O ATOM 0 H GLY A 48 -11.092 4.386 3.719 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -11.101 2.447 5.154 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -11.809 3.411 6.435 1.00 0.00 H new ATOM 720 N SER A 49 -13.749 3.305 3.823 1.00 0.00 N ATOM 721 CA SER A 49 -15.127 2.951 3.418 1.00 0.00 C ATOM 722 C SER A 49 -15.293 1.573 2.737 1.00 0.00 C ATOM 723 O SER A 49 -16.416 1.113 2.529 1.00 0.00 O ATOM 724 CB SER A 49 -15.618 4.030 2.447 1.00 0.00 C ATOM 725 OG SER A 49 -15.601 5.308 3.069 1.00 0.00 O ATOM 0 H SER A 49 -13.273 3.954 3.197 1.00 0.00 H new ATOM 0 HA SER A 49 -15.707 2.891 4.339 1.00 0.00 H new ATOM 0 HB2 SER A 49 -14.985 4.043 1.559 1.00 0.00 H new ATOM 0 HB3 SER A 49 -16.629 3.795 2.114 1.00 0.00 H new ATOM 0 HG SER A 49 -15.916 5.985 2.434 1.00 0.00 H new ATOM 731 N ILE A 50 -14.188 0.932 2.368 1.00 0.00 N ATOM 732 CA ILE A 50 -14.216 -0.273 1.520 1.00 0.00 C ATOM 733 C ILE A 50 -13.699 -1.460 2.322 1.00 0.00 C ATOM 734 O ILE A 50 -12.595 -1.424 2.869 1.00 0.00 O ATOM 735 CB ILE A 50 -13.445 -0.148 0.200 1.00 0.00 C ATOM 736 CG1 ILE A 50 -13.995 1.026 -0.621 1.00 0.00 C ATOM 737 CG2 ILE A 50 -13.539 -1.474 -0.576 1.00 0.00 C ATOM 738 CD1 ILE A 50 -13.117 1.313 -1.832 1.00 0.00 C ATOM 0 H ILE A 50 -13.250 1.224 2.642 1.00 0.00 H new ATOM 0 HA ILE A 50 -15.256 -0.418 1.228 1.00 0.00 H new ATOM 0 HB ILE A 50 -12.394 0.055 0.404 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -15.009 0.799 -0.950 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -14.055 1.915 0.007 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -12.991 -1.386 -1.514 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -13.108 -2.277 0.022 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -14.585 -1.699 -0.786 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -13.533 2.150 -2.393 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -12.110 1.564 -1.500 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -13.079 0.431 -2.471 1.00 0.00 H new ATOM 750 N THR A 51 -14.528 -2.489 2.448 1.00 0.00 N ATOM 751 CA THR A 51 -14.265 -3.518 3.463 1.00 0.00 C ATOM 752 C THR A 51 -13.580 -4.727 2.825 1.00 0.00 C ATOM 753 O THR A 51 -14.042 -5.358 1.874 1.00 0.00 O ATOM 754 CB THR A 51 -15.500 -3.994 4.254 1.00 0.00 C ATOM 755 OG1 THR A 51 -16.090 -2.887 4.921 1.00 0.00 O ATOM 756 CG2 THR A 51 -15.090 -5.046 5.293 1.00 0.00 C ATOM 0 H THR A 51 -15.364 -2.638 1.883 1.00 0.00 H new ATOM 0 HA THR A 51 -13.615 -3.031 4.190 1.00 0.00 H new ATOM 0 HB THR A 51 -16.215 -4.435 3.560 1.00 0.00 H new ATOM 0 HG1 THR A 51 -16.876 -3.188 5.423 1.00 0.00 H new ATOM 0 HG21 THR A 51 -15.970 -5.374 5.845 1.00 0.00 H new ATOM 0 HG22 THR A 51 -14.639 -5.900 4.788 1.00 0.00 H new ATOM 0 HG23 THR A 51 -14.369 -4.612 5.985 1.00 0.00 H new ATOM 764 N LEU A 52 -12.400 -4.960 3.384 1.00 0.00 N ATOM 765 CA LEU A 52 -11.399 -5.817 2.750 1.00 0.00 C ATOM 766 C LEU A 52 -11.452 -7.243 3.298 1.00 0.00 C ATOM 767 O LEU A 52 -11.673 -7.494 4.483 1.00 0.00 O ATOM 768 CB LEU A 52 -10.009 -5.282 3.165 1.00 0.00 C ATOM 769 CG LEU A 52 -9.768 -3.786 2.920 1.00 0.00 C ATOM 770 CD1 LEU A 52 -8.400 -3.378 3.473 1.00 0.00 C ATOM 771 CD2 LEU A 52 -9.831 -3.486 1.429 1.00 0.00 C ATOM 0 H LEU A 52 -12.109 -4.567 4.279 1.00 0.00 H new ATOM 0 HA LEU A 52 -11.581 -5.816 1.675 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -9.865 -5.485 4.226 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -9.248 -5.846 2.626 1.00 0.00 H new ATOM 0 HG LEU A 52 -10.543 -3.216 3.432 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -8.238 -2.315 3.295 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -8.367 -3.575 4.544 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -7.620 -3.953 2.974 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -9.659 -2.422 1.264 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -9.065 -4.062 0.909 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -10.814 -3.758 1.044 1.00 0.00 H new ATOM 783 N GLU A 53 -11.086 -8.157 2.413 1.00 0.00 N ATOM 784 CA GLU A 53 -10.613 -9.478 2.838 1.00 0.00 C ATOM 785 C GLU A 53 -9.075 -9.452 2.803 1.00 0.00 C ATOM 786 O GLU A 53 -8.448 -8.512 2.309 1.00 0.00 O ATOM 787 CB GLU A 53 -11.149 -10.551 1.874 1.00 0.00 C ATOM 788 CG GLU A 53 -12.675 -10.679 1.909 1.00 0.00 C ATOM 789 CD GLU A 53 -13.155 -11.733 0.921 1.00 0.00 C ATOM 790 OE1 GLU A 53 -13.343 -11.402 -0.271 1.00 0.00 O ATOM 791 OE2 GLU A 53 -13.345 -12.901 1.329 1.00 0.00 O ATOM 0 H GLU A 53 -11.105 -8.017 1.403 1.00 0.00 H new ATOM 0 HA GLU A 53 -10.965 -9.714 3.842 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -10.833 -10.310 0.859 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -10.703 -11.513 2.126 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -12.999 -10.944 2.915 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -13.130 -9.718 1.671 1.00 0.00 H new ATOM 798 N ASN A 54 -8.459 -10.490 3.356 1.00 0.00 N ATOM 799 CA ASN A 54 -7.000 -10.469 3.575 1.00 0.00 C ATOM 800 C ASN A 54 -6.245 -11.529 2.776 1.00 0.00 C ATOM 801 O ASN A 54 -5.277 -12.120 3.262 1.00 0.00 O ATOM 802 CB ASN A 54 -6.744 -10.633 5.079 1.00 0.00 C ATOM 803 CG ASN A 54 -7.337 -11.888 5.729 1.00 0.00 C ATOM 804 OD1 ASN A 54 -7.328 -12.985 5.168 1.00 0.00 O ATOM 805 ND2 ASN A 54 -7.853 -11.742 6.936 1.00 0.00 N ATOM 0 H ASN A 54 -8.926 -11.345 3.659 1.00 0.00 H new ATOM 0 HA ASN A 54 -6.617 -9.515 3.214 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -5.667 -10.636 5.246 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -7.144 -9.759 5.593 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -8.253 -12.546 7.420 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -7.851 -10.826 7.384 1.00 0.00 H new ATOM 812 N ALA A 55 -6.698 -11.808 1.560 1.00 0.00 N ATOM 813 CA ALA A 55 -6.173 -12.990 0.866 1.00 0.00 C ATOM 814 C ALA A 55 -6.359 -13.000 -0.659 1.00 0.00 C ATOM 815 O ALA A 55 -5.377 -12.915 -1.397 1.00 0.00 O ATOM 816 CB ALA A 55 -6.802 -14.221 1.534 1.00 0.00 C ATOM 0 H ALA A 55 -7.394 -11.265 1.049 1.00 0.00 H new ATOM 0 HA ALA A 55 -5.088 -12.986 0.969 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -6.437 -15.125 1.047 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -6.529 -14.242 2.589 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -7.887 -14.171 1.441 1.00 0.00 H new ATOM 822 N LYS A 56 -7.583 -13.247 -1.129 1.00 0.00 N ATOM 823 CA LYS A 56 -7.783 -13.656 -2.537 1.00 0.00 C ATOM 824 C LYS A 56 -7.722 -12.536 -3.590 1.00 0.00 C ATOM 825 O LYS A 56 -8.358 -12.631 -4.636 1.00 0.00 O ATOM 826 CB LYS A 56 -9.084 -14.475 -2.664 1.00 0.00 C ATOM 827 CG LYS A 56 -10.415 -13.700 -2.749 1.00 0.00 C ATOM 828 CD LYS A 56 -11.563 -14.650 -3.102 1.00 0.00 C ATOM 829 CE LYS A 56 -12.898 -13.907 -3.158 1.00 0.00 C ATOM 830 NZ LYS A 56 -13.986 -14.837 -3.501 1.00 0.00 N ATOM 0 H LYS A 56 -8.438 -13.176 -0.577 1.00 0.00 H new ATOM 0 HA LYS A 56 -6.915 -14.270 -2.777 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -9.002 -15.099 -3.554 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -9.142 -15.147 -1.808 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -10.619 -13.210 -1.797 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -10.339 -12.915 -3.502 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -11.365 -15.121 -4.065 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -11.619 -15.448 -2.362 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -13.101 -13.438 -2.195 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -12.847 -13.108 -3.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -14.887 -14.319 -3.536 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -13.797 -15.265 -4.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -14.044 -15.585 -2.780 1.00 0.00 H new ATOM 844 N TYR A 57 -6.909 -11.513 -3.381 1.00 0.00 N ATOM 845 CA TYR A 57 -6.644 -10.523 -4.440 1.00 0.00 C ATOM 846 C TYR A 57 -5.195 -10.574 -4.963 1.00 0.00 C ATOM 847 O TYR A 57 -4.696 -9.509 -5.328 1.00 0.00 O ATOM 848 CB TYR A 57 -7.016 -9.077 -4.091 1.00 0.00 C ATOM 849 CG TYR A 57 -8.296 -8.921 -3.280 1.00 0.00 C ATOM 850 CD1 TYR A 57 -9.495 -9.301 -3.805 1.00 0.00 C ATOM 851 CD2 TYR A 57 -8.245 -8.418 -2.015 1.00 0.00 C ATOM 852 CE1 TYR A 57 -10.630 -9.180 -3.068 1.00 0.00 C ATOM 853 CE2 TYR A 57 -9.383 -8.290 -1.284 1.00 0.00 C ATOM 854 CZ TYR A 57 -10.576 -8.671 -1.811 1.00 0.00 C ATOM 855 OH TYR A 57 -11.722 -8.544 -1.071 1.00 0.00 O ATOM 0 H TYR A 57 -6.421 -11.338 -2.503 1.00 0.00 H new ATOM 0 HA TYR A 57 -7.322 -10.835 -5.235 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -6.193 -8.630 -3.533 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -7.118 -8.510 -5.016 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -9.543 -9.699 -4.808 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -7.297 -8.120 -1.592 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -11.578 -9.490 -3.483 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -9.339 -7.885 -0.284 1.00 0.00 H new ATOM 0 HH TYR A 57 -12.102 -9.431 -0.902 1.00 0.00 H new ATOM 865 N GLU A 58 -4.451 -11.683 -4.810 1.00 0.00 N ATOM 866 CA GLU A 58 -2.971 -11.692 -4.999 1.00 0.00 C ATOM 867 C GLU A 58 -2.465 -11.314 -6.424 1.00 0.00 C ATOM 868 O GLU A 58 -1.468 -11.841 -6.919 1.00 0.00 O ATOM 869 CB GLU A 58 -2.407 -13.095 -4.690 1.00 0.00 C ATOM 870 CG GLU A 58 -2.871 -13.687 -3.355 1.00 0.00 C ATOM 871 CD GLU A 58 -2.254 -15.061 -3.123 1.00 0.00 C ATOM 872 OE1 GLU A 58 -1.010 -15.179 -3.150 1.00 0.00 O ATOM 873 OE2 GLU A 58 -3.013 -16.031 -2.909 1.00 0.00 O ATOM 0 H GLU A 58 -4.841 -12.591 -4.556 1.00 0.00 H new ATOM 0 HA GLU A 58 -2.619 -10.921 -4.314 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -2.695 -13.773 -5.493 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -1.318 -13.043 -4.691 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -2.594 -13.018 -2.540 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -3.958 -13.766 -3.347 1.00 0.00 H new ATOM 880 N THR A 59 -3.120 -10.350 -7.057 1.00 0.00 N ATOM 881 CA THR A 59 -2.599 -9.699 -8.266 1.00 0.00 C ATOM 882 C THR A 59 -3.100 -8.255 -8.182 1.00 0.00 C ATOM 883 O THR A 59 -4.301 -7.983 -8.138 1.00 0.00 O ATOM 884 CB THR A 59 -2.961 -10.396 -9.597 1.00 0.00 C ATOM 885 OG1 THR A 59 -1.896 -11.258 -9.976 1.00 0.00 O ATOM 886 CG2 THR A 59 -3.260 -9.433 -10.737 1.00 0.00 C ATOM 0 H THR A 59 -4.026 -9.993 -6.753 1.00 0.00 H new ATOM 0 HA THR A 59 -1.511 -9.757 -8.286 1.00 0.00 H new ATOM 0 HB THR A 59 -3.880 -10.954 -9.417 1.00 0.00 H new ATOM 0 HG1 THR A 59 -1.503 -11.664 -9.175 1.00 0.00 H new ATOM 0 HG21 THR A 59 -3.505 -9.998 -11.636 1.00 0.00 H new ATOM 0 HG22 THR A 59 -4.104 -8.799 -10.466 1.00 0.00 H new ATOM 0 HG23 THR A 59 -2.385 -8.811 -10.927 1.00 0.00 H new ATOM 894 N VAL A 60 -2.154 -7.344 -8.058 1.00 0.00 N ATOM 895 CA VAL A 60 -2.474 -5.940 -7.760 1.00 0.00 C ATOM 896 C VAL A 60 -2.352 -5.240 -9.134 1.00 0.00 C ATOM 897 O VAL A 60 -1.396 -5.489 -9.875 1.00 0.00 O ATOM 898 CB VAL A 60 -1.436 -5.395 -6.735 1.00 0.00 C ATOM 899 CG1 VAL A 60 -0.741 -4.110 -7.185 1.00 0.00 C ATOM 900 CG2 VAL A 60 -2.018 -5.070 -5.355 1.00 0.00 C ATOM 0 H VAL A 60 -1.158 -7.539 -8.157 1.00 0.00 H new ATOM 0 HA VAL A 60 -3.458 -5.784 -7.318 1.00 0.00 H new ATOM 0 HB VAL A 60 -0.735 -6.227 -6.673 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -0.033 -3.792 -6.420 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -0.209 -4.292 -8.119 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -1.485 -3.328 -7.338 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -1.227 -4.697 -4.705 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -2.793 -4.310 -5.457 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -2.449 -5.972 -4.920 1.00 0.00 H new ATOM 910 N HIS A 61 -3.250 -4.321 -9.473 1.00 0.00 N ATOM 911 CA HIS A 61 -2.960 -3.370 -10.556 1.00 0.00 C ATOM 912 C HIS A 61 -3.084 -1.963 -9.944 1.00 0.00 C ATOM 913 O HIS A 61 -4.065 -1.706 -9.250 1.00 0.00 O ATOM 914 CB HIS A 61 -3.945 -3.665 -11.721 1.00 0.00 C ATOM 915 CG HIS A 61 -3.208 -4.463 -12.782 1.00 0.00 C ATOM 916 ND1 HIS A 61 -3.163 -5.852 -12.818 1.00 0.00 N ATOM 917 CD2 HIS A 61 -2.204 -3.919 -13.585 1.00 0.00 C ATOM 918 CE1 HIS A 61 -2.125 -6.005 -13.706 1.00 0.00 C ATOM 919 NE2 HIS A 61 -1.531 -4.910 -14.263 1.00 0.00 N ATOM 0 H HIS A 61 -4.163 -4.210 -9.031 1.00 0.00 H new ATOM 0 HA HIS A 61 -1.959 -3.455 -10.978 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -4.807 -4.224 -11.356 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -4.324 -2.734 -12.142 1.00 0.00 H new ATOM 0 HD1 HIS A 61 -3.729 -6.548 -12.332 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -1.985 -2.864 -13.664 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -1.778 -6.995 -13.964 1.00 0.00 H new ATOM 927 N TYR A 62 -2.153 -1.022 -10.190 1.00 0.00 N ATOM 928 CA TYR A 62 -2.407 0.364 -9.745 1.00 0.00 C ATOM 929 C TYR A 62 -2.520 1.214 -11.020 1.00 0.00 C ATOM 930 O TYR A 62 -1.723 1.083 -11.951 1.00 0.00 O ATOM 931 CB TYR A 62 -1.282 0.814 -8.785 1.00 0.00 C ATOM 932 CG TYR A 62 -1.702 1.682 -7.620 1.00 0.00 C ATOM 933 CD1 TYR A 62 -2.201 2.925 -7.833 1.00 0.00 C ATOM 934 CD2 TYR A 62 -1.475 1.252 -6.347 1.00 0.00 C ATOM 935 CE1 TYR A 62 -2.553 3.707 -6.783 1.00 0.00 C ATOM 936 CE2 TYR A 62 -1.825 2.035 -5.297 1.00 0.00 C ATOM 937 CZ TYR A 62 -2.371 3.259 -5.514 1.00 0.00 C ATOM 938 OH TYR A 62 -2.708 4.056 -4.456 1.00 0.00 O ATOM 0 H TYR A 62 -1.265 -1.179 -10.667 1.00 0.00 H new ATOM 0 HA TYR A 62 -3.330 0.469 -9.175 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -0.793 -0.076 -8.389 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -0.535 1.357 -9.364 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -2.318 3.293 -8.842 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -1.017 0.289 -6.175 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -2.978 4.685 -6.956 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -1.669 1.685 -4.287 1.00 0.00 H new ATOM 0 HH TYR A 62 -2.071 3.915 -3.724 1.00 0.00 H new ATOM 948 N LEU A 63 -3.440 2.177 -11.004 1.00 0.00 N ATOM 949 CA LEU A 63 -3.544 3.195 -12.051 1.00 0.00 C ATOM 950 C LEU A 63 -3.466 4.644 -11.546 1.00 0.00 C ATOM 951 O LEU A 63 -4.341 5.101 -10.811 1.00 0.00 O ATOM 952 CB LEU A 63 -4.936 2.979 -12.673 1.00 0.00 C ATOM 953 CG LEU A 63 -4.978 2.153 -13.963 1.00 0.00 C ATOM 954 CD1 LEU A 63 -4.360 0.757 -13.842 1.00 0.00 C ATOM 955 CD2 LEU A 63 -6.453 2.021 -14.337 1.00 0.00 C ATOM 0 H LEU A 63 -4.136 2.275 -10.264 1.00 0.00 H new ATOM 0 HA LEU A 63 -2.705 3.080 -12.737 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -5.570 2.491 -11.933 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -5.376 3.955 -12.876 1.00 0.00 H new ATOM 0 HG LEU A 63 -4.381 2.665 -14.718 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -4.433 0.243 -14.800 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -3.312 0.847 -13.557 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -4.895 0.187 -13.083 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -6.545 1.439 -15.254 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -6.989 1.518 -13.532 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -6.879 3.012 -14.492 1.00 0.00 H new ATOM 967 N THR A 64 -2.403 5.360 -11.894 1.00 0.00 N ATOM 968 CA THR A 64 -2.139 6.685 -11.310 1.00 0.00 C ATOM 969 C THR A 64 -1.380 7.423 -12.452 1.00 0.00 C ATOM 970 O THR A 64 -0.657 6.779 -13.217 1.00 0.00 O ATOM 971 CB THR A 64 -1.366 6.555 -9.987 1.00 0.00 C ATOM 972 OG1 THR A 64 -2.046 5.649 -9.135 1.00 0.00 O ATOM 973 CG2 THR A 64 -1.287 7.884 -9.237 1.00 0.00 C ATOM 0 H THR A 64 -1.708 5.053 -12.574 1.00 0.00 H new ATOM 0 HA THR A 64 -3.027 7.244 -11.015 1.00 0.00 H new ATOM 0 HB THR A 64 -0.361 6.215 -10.237 1.00 0.00 H new ATOM 0 HG1 THR A 64 -1.439 4.924 -8.877 1.00 0.00 H new ATOM 0 HG21 THR A 64 -0.733 7.746 -8.309 1.00 0.00 H new ATOM 0 HG22 THR A 64 -0.778 8.622 -9.857 1.00 0.00 H new ATOM 0 HG23 THR A 64 -2.294 8.234 -9.009 1.00 0.00 H new ATOM 981 N PRO A 65 -1.391 8.757 -12.556 1.00 0.00 N ATOM 982 CA PRO A 65 -0.527 9.493 -13.493 1.00 0.00 C ATOM 983 C PRO A 65 0.976 9.255 -13.329 1.00 0.00 C ATOM 984 O PRO A 65 1.482 9.074 -12.221 1.00 0.00 O ATOM 985 CB PRO A 65 -0.873 10.952 -13.176 1.00 0.00 C ATOM 986 CG PRO A 65 -2.299 10.906 -12.636 1.00 0.00 C ATOM 987 CD PRO A 65 -2.355 9.593 -11.858 1.00 0.00 C ATOM 0 HA PRO A 65 -0.710 9.173 -14.519 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -0.185 11.371 -12.441 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -0.807 11.577 -14.067 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -2.511 11.761 -11.993 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -3.032 10.924 -13.442 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -2.085 9.732 -10.811 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -3.354 9.157 -11.874 1.00 0.00 H new ATOM 995 N GLU A 66 1.690 9.309 -14.451 1.00 0.00 N ATOM 996 CA GLU A 66 3.164 9.316 -14.414 1.00 0.00 C ATOM 997 C GLU A 66 3.745 10.593 -15.064 1.00 0.00 C ATOM 998 O GLU A 66 4.829 10.567 -15.648 1.00 0.00 O ATOM 999 CB GLU A 66 3.654 8.024 -15.088 1.00 0.00 C ATOM 1000 CG GLU A 66 5.120 7.700 -14.773 1.00 0.00 C ATOM 1001 CD GLU A 66 5.533 6.371 -15.392 1.00 0.00 C ATOM 1002 OE1 GLU A 66 5.972 6.361 -16.562 1.00 0.00 O ATOM 1003 OE2 GLU A 66 5.421 5.329 -14.710 1.00 0.00 O ATOM 0 H GLU A 66 1.287 9.348 -15.387 1.00 0.00 H new ATOM 0 HA GLU A 66 3.520 9.338 -13.384 1.00 0.00 H new ATOM 0 HB2 GLU A 66 3.027 7.193 -14.766 1.00 0.00 H new ATOM 0 HB3 GLU A 66 3.532 8.115 -16.167 1.00 0.00 H new ATOM 0 HG2 GLU A 66 5.761 8.496 -15.152 1.00 0.00 H new ATOM 0 HG3 GLU A 66 5.263 7.662 -13.693 1.00 0.00 H new ATOM 1010 N ALA A 67 3.020 11.711 -15.002 1.00 0.00 N ATOM 1011 CA ALA A 67 3.403 12.906 -15.774 1.00 0.00 C ATOM 1012 C ALA A 67 3.966 13.987 -14.843 1.00 0.00 C ATOM 1013 O ALA A 67 5.099 14.439 -15.022 1.00 0.00 O ATOM 1014 CB ALA A 67 2.186 13.413 -16.554 1.00 0.00 C ATOM 0 H ALA A 67 2.178 11.819 -14.437 1.00 0.00 H new ATOM 0 HA ALA A 67 4.189 12.649 -16.485 1.00 0.00 H new ATOM 0 HB1 ALA A 67 2.464 14.297 -17.127 1.00 0.00 H new ATOM 0 HB2 ALA A 67 1.839 12.634 -17.233 1.00 0.00 H new ATOM 0 HB3 ALA A 67 1.388 13.668 -15.857 1.00 0.00 H new ATOM 1020 N GLN A 68 3.168 14.439 -13.876 1.00 0.00 N ATOM 1021 CA GLN A 68 3.541 15.615 -13.073 1.00 0.00 C ATOM 1022 C GLN A 68 4.505 15.165 -11.972 1.00 0.00 C ATOM 1023 O GLN A 68 4.151 14.347 -11.121 1.00 0.00 O ATOM 1024 CB GLN A 68 2.293 16.263 -12.460 1.00 0.00 C ATOM 1025 CG GLN A 68 1.371 16.873 -13.522 1.00 0.00 C ATOM 1026 CD GLN A 68 0.156 17.542 -12.885 1.00 0.00 C ATOM 1027 OE1 GLN A 68 -0.843 16.894 -12.568 1.00 0.00 O ATOM 1028 NE2 GLN A 68 0.221 18.847 -12.689 1.00 0.00 N ATOM 0 H GLN A 68 2.272 14.020 -13.628 1.00 0.00 H new ATOM 0 HA GLN A 68 4.025 16.357 -13.708 1.00 0.00 H new ATOM 0 HB2 GLN A 68 1.741 15.515 -11.890 1.00 0.00 H new ATOM 0 HB3 GLN A 68 2.597 17.039 -11.758 1.00 0.00 H new ATOM 0 HG2 GLN A 68 1.925 17.605 -14.110 1.00 0.00 H new ATOM 0 HG3 GLN A 68 1.041 16.095 -14.210 1.00 0.00 H new ATOM 0 HE21 GLN A 68 1.059 19.362 -12.960 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -0.566 19.339 -12.267 1.00 0.00 H new ATOM 1037 N THR A 69 5.744 15.653 -12.030 1.00 0.00 N ATOM 1038 CA THR A 69 6.804 15.122 -11.156 1.00 0.00 C ATOM 1039 C THR A 69 6.640 15.584 -9.699 1.00 0.00 C ATOM 1040 O THR A 69 7.180 16.604 -9.266 1.00 0.00 O ATOM 1041 CB THR A 69 8.191 15.509 -11.703 1.00 0.00 C ATOM 1042 OG1 THR A 69 8.289 16.922 -11.842 1.00 0.00 O ATOM 1043 CG2 THR A 69 8.478 14.855 -13.058 1.00 0.00 C ATOM 0 H THR A 69 6.041 16.400 -12.658 1.00 0.00 H new ATOM 0 HA THR A 69 6.716 14.036 -11.155 1.00 0.00 H new ATOM 0 HB THR A 69 8.928 15.149 -10.985 1.00 0.00 H new ATOM 0 HG1 THR A 69 7.982 17.354 -11.018 1.00 0.00 H new ATOM 0 HG21 THR A 69 9.466 15.156 -13.405 1.00 0.00 H new ATOM 0 HG22 THR A 69 8.445 13.771 -12.953 1.00 0.00 H new ATOM 0 HG23 THR A 69 7.727 15.172 -13.782 1.00 0.00 H new ATOM 1051 N ASP A 70 5.900 14.786 -8.939 1.00 0.00 N ATOM 1052 CA ASP A 70 5.813 14.958 -7.483 1.00 0.00 C ATOM 1053 C ASP A 70 5.953 13.561 -6.855 1.00 0.00 C ATOM 1054 O ASP A 70 6.043 12.552 -7.562 1.00 0.00 O ATOM 1055 CB ASP A 70 4.472 15.608 -7.107 1.00 0.00 C ATOM 1056 CG ASP A 70 4.352 17.050 -7.592 1.00 0.00 C ATOM 1057 OD1 ASP A 70 4.879 17.959 -6.917 1.00 0.00 O ATOM 1058 OD2 ASP A 70 3.729 17.278 -8.652 1.00 0.00 O ATOM 0 H ASP A 70 5.348 14.009 -9.302 1.00 0.00 H new ATOM 0 HA ASP A 70 6.601 15.615 -7.114 1.00 0.00 H new ATOM 0 HB2 ASP A 70 3.658 15.019 -7.530 1.00 0.00 H new ATOM 0 HB3 ASP A 70 4.354 15.584 -6.024 1.00 0.00 H new ATOM 1063 N ILE A 71 5.927 13.465 -5.526 1.00 0.00 N ATOM 1064 CA ILE A 71 5.839 12.126 -4.911 1.00 0.00 C ATOM 1065 C ILE A 71 4.372 11.671 -4.876 1.00 0.00 C ATOM 1066 O ILE A 71 3.441 12.473 -4.777 1.00 0.00 O ATOM 1067 CB ILE A 71 6.523 12.089 -3.523 1.00 0.00 C ATOM 1068 CG1 ILE A 71 6.039 13.145 -2.509 1.00 0.00 C ATOM 1069 CG2 ILE A 71 8.039 12.245 -3.705 1.00 0.00 C ATOM 1070 CD1 ILE A 71 4.725 12.782 -1.816 1.00 0.00 C ATOM 0 H ILE A 71 5.963 14.250 -4.876 1.00 0.00 H new ATOM 0 HA ILE A 71 6.390 11.412 -5.523 1.00 0.00 H new ATOM 0 HB ILE A 71 6.247 11.124 -3.097 1.00 0.00 H new ATOM 0 HG12 ILE A 71 6.810 13.288 -1.752 1.00 0.00 H new ATOM 0 HG13 ILE A 71 5.916 14.098 -3.023 1.00 0.00 H new ATOM 0 HG21 ILE A 71 8.527 12.220 -2.731 1.00 0.00 H new ATOM 0 HG22 ILE A 71 8.417 11.430 -4.321 1.00 0.00 H new ATOM 0 HG23 ILE A 71 8.251 13.197 -4.192 1.00 0.00 H new ATOM 0 HD11 ILE A 71 4.451 13.573 -1.118 1.00 0.00 H new ATOM 0 HD12 ILE A 71 3.939 12.668 -2.563 1.00 0.00 H new ATOM 0 HD13 ILE A 71 4.847 11.845 -1.272 1.00 0.00 H new ATOM 1082 N LYS A 72 4.188 10.359 -4.967 1.00 0.00 N ATOM 1083 CA LYS A 72 2.813 9.834 -5.169 1.00 0.00 C ATOM 1084 C LYS A 72 2.096 9.153 -3.975 1.00 0.00 C ATOM 1085 O LYS A 72 0.899 9.386 -3.798 1.00 0.00 O ATOM 1086 CB LYS A 72 2.823 8.853 -6.352 1.00 0.00 C ATOM 1087 CG LYS A 72 3.188 9.498 -7.698 1.00 0.00 C ATOM 1088 CD LYS A 72 3.425 8.421 -8.758 1.00 0.00 C ATOM 1089 CE LYS A 72 3.947 9.028 -10.061 1.00 0.00 C ATOM 1090 NZ LYS A 72 4.214 7.963 -11.041 1.00 0.00 N ATOM 0 H LYS A 72 4.925 9.656 -4.910 1.00 0.00 H new ATOM 0 HA LYS A 72 2.227 10.737 -5.339 1.00 0.00 H new ATOM 0 HB2 LYS A 72 3.532 8.053 -6.141 1.00 0.00 H new ATOM 0 HB3 LYS A 72 1.839 8.393 -6.437 1.00 0.00 H new ATOM 0 HG2 LYS A 72 2.386 10.163 -8.019 1.00 0.00 H new ATOM 0 HG3 LYS A 72 4.083 10.109 -7.585 1.00 0.00 H new ATOM 0 HD2 LYS A 72 4.141 7.690 -8.383 1.00 0.00 H new ATOM 0 HD3 LYS A 72 2.495 7.886 -8.951 1.00 0.00 H new ATOM 0 HE2 LYS A 72 3.216 9.729 -10.464 1.00 0.00 H new ATOM 0 HE3 LYS A 72 4.859 9.594 -9.869 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 5.117 8.152 -11.521 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 4.267 7.047 -10.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 3.447 7.937 -11.743 1.00 0.00 H new ATOM 1104 N PHE A 73 2.707 8.172 -3.310 1.00 0.00 N ATOM 1105 CA PHE A 73 1.920 7.207 -2.523 1.00 0.00 C ATOM 1106 C PHE A 73 2.534 7.094 -1.127 1.00 0.00 C ATOM 1107 O PHE A 73 3.759 7.148 -0.993 1.00 0.00 O ATOM 1108 CB PHE A 73 2.039 5.904 -3.343 1.00 0.00 C ATOM 1109 CG PHE A 73 1.302 4.664 -2.863 1.00 0.00 C ATOM 1110 CD1 PHE A 73 0.029 4.743 -2.389 1.00 0.00 C ATOM 1111 CD2 PHE A 73 1.879 3.438 -3.035 1.00 0.00 C ATOM 1112 CE1 PHE A 73 -0.654 3.616 -2.074 1.00 0.00 C ATOM 1113 CE2 PHE A 73 1.177 2.313 -2.753 1.00 0.00 C ATOM 1114 CZ PHE A 73 -0.074 2.404 -2.245 1.00 0.00 C ATOM 0 H PHE A 73 3.716 8.021 -3.295 1.00 0.00 H new ATOM 0 HA PHE A 73 0.876 7.478 -2.366 1.00 0.00 H new ATOM 0 HB2 PHE A 73 1.697 6.119 -4.355 1.00 0.00 H new ATOM 0 HB3 PHE A 73 3.097 5.653 -3.411 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -0.439 5.708 -2.263 1.00 0.00 H new ATOM 0 HD2 PHE A 73 2.894 3.365 -3.396 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -1.660 3.684 -1.687 1.00 0.00 H new ATOM 0 HE2 PHE A 73 1.617 1.343 -2.934 1.00 0.00 H new ATOM 0 HZ PHE A 73 -0.612 1.507 -1.975 1.00 0.00 H new ATOM 1124 N PRO A 74 1.755 6.822 -0.073 1.00 0.00 N ATOM 1125 CA PRO A 74 2.341 6.655 1.258 1.00 0.00 C ATOM 1126 C PRO A 74 2.899 5.240 1.449 1.00 0.00 C ATOM 1127 O PRO A 74 2.388 4.267 0.890 1.00 0.00 O ATOM 1128 CB PRO A 74 1.158 6.942 2.182 1.00 0.00 C ATOM 1129 CG PRO A 74 0.101 7.644 1.338 1.00 0.00 C ATOM 1130 CD PRO A 74 0.308 7.079 -0.055 1.00 0.00 C ATOM 0 HA PRO A 74 3.193 7.308 1.447 1.00 0.00 H new ATOM 0 HB2 PRO A 74 0.764 6.018 2.604 1.00 0.00 H new ATOM 0 HB3 PRO A 74 1.464 7.570 3.019 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -0.904 7.439 1.706 1.00 0.00 H new ATOM 0 HG3 PRO A 74 0.232 8.726 1.353 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -0.269 6.168 -0.215 1.00 0.00 H new ATOM 0 HD3 PRO A 74 0.010 7.786 -0.830 1.00 0.00 H new ATOM 1138 N LYS A 75 3.939 5.126 2.266 1.00 0.00 N ATOM 1139 CA LYS A 75 4.471 3.794 2.619 1.00 0.00 C ATOM 1140 C LYS A 75 3.462 2.904 3.376 1.00 0.00 C ATOM 1141 O LYS A 75 3.418 1.684 3.192 1.00 0.00 O ATOM 1142 CB LYS A 75 5.754 3.937 3.453 1.00 0.00 C ATOM 1143 CG LYS A 75 6.886 4.643 2.695 1.00 0.00 C ATOM 1144 CD LYS A 75 8.165 4.689 3.532 1.00 0.00 C ATOM 1145 CE LYS A 75 9.294 5.397 2.778 1.00 0.00 C ATOM 1146 NZ LYS A 75 10.513 5.430 3.601 1.00 0.00 N ATOM 0 H LYS A 75 4.428 5.912 2.693 1.00 0.00 H new ATOM 0 HA LYS A 75 4.684 3.296 1.673 1.00 0.00 H new ATOM 0 HB2 LYS A 75 5.530 4.495 4.362 1.00 0.00 H new ATOM 0 HB3 LYS A 75 6.092 2.948 3.762 1.00 0.00 H new ATOM 0 HG2 LYS A 75 7.080 4.122 1.757 1.00 0.00 H new ATOM 0 HG3 LYS A 75 6.579 5.657 2.439 1.00 0.00 H new ATOM 0 HD2 LYS A 75 7.970 5.207 4.471 1.00 0.00 H new ATOM 0 HD3 LYS A 75 8.474 3.675 3.786 1.00 0.00 H new ATOM 0 HE2 LYS A 75 9.494 4.880 1.839 1.00 0.00 H new ATOM 0 HE3 LYS A 75 8.990 6.413 2.524 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 11.272 5.913 3.079 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 10.321 5.943 4.485 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 10.809 4.458 3.822 1.00 0.00 H new ATOM 1160 N LYS A 76 2.657 3.512 4.250 1.00 0.00 N ATOM 1161 CA LYS A 76 1.666 2.752 5.033 1.00 0.00 C ATOM 1162 C LYS A 76 0.657 1.982 4.166 1.00 0.00 C ATOM 1163 O LYS A 76 0.254 0.873 4.530 1.00 0.00 O ATOM 1164 CB LYS A 76 0.953 3.734 5.976 1.00 0.00 C ATOM 1165 CG LYS A 76 0.061 3.024 7.001 1.00 0.00 C ATOM 1166 CD LYS A 76 -0.598 4.030 7.951 1.00 0.00 C ATOM 1167 CE LYS A 76 -1.521 3.354 8.972 1.00 0.00 C ATOM 1168 NZ LYS A 76 -0.762 2.514 9.911 1.00 0.00 N ATOM 0 H LYS A 76 2.666 4.515 4.436 1.00 0.00 H new ATOM 0 HA LYS A 76 2.193 1.984 5.599 1.00 0.00 H new ATOM 0 HB2 LYS A 76 1.697 4.333 6.501 1.00 0.00 H new ATOM 0 HB3 LYS A 76 0.347 4.422 5.387 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -0.708 2.451 6.483 1.00 0.00 H new ATOM 0 HG3 LYS A 76 0.656 2.313 7.575 1.00 0.00 H new ATOM 0 HD2 LYS A 76 0.176 4.588 8.479 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -1.171 4.752 7.370 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -2.072 4.114 9.526 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -2.258 2.744 8.450 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -1.397 2.167 10.658 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -0.353 1.705 9.401 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 0.002 3.075 10.339 1.00 0.00 H new ATOM 1182 N LEU A 77 0.272 2.520 3.008 1.00 0.00 N ATOM 1183 CA LEU A 77 -0.678 1.786 2.146 1.00 0.00 C ATOM 1184 C LEU A 77 0.030 0.639 1.399 1.00 0.00 C ATOM 1185 O LEU A 77 -0.589 -0.402 1.185 1.00 0.00 O ATOM 1186 CB LEU A 77 -1.462 2.654 1.142 1.00 0.00 C ATOM 1187 CG LEU A 77 -2.555 3.523 1.775 1.00 0.00 C ATOM 1188 CD1 LEU A 77 -1.996 4.600 2.703 1.00 0.00 C ATOM 1189 CD2 LEU A 77 -3.407 4.203 0.704 1.00 0.00 C ATOM 0 H LEU A 77 0.583 3.423 2.649 1.00 0.00 H new ATOM 0 HA LEU A 77 -1.421 1.391 2.838 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -0.761 3.301 0.614 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -1.919 2.003 0.396 1.00 0.00 H new ATOM 0 HG LEU A 77 -3.165 2.841 2.367 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -2.817 5.182 3.121 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -1.437 4.129 3.512 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -1.334 5.258 2.140 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -4.174 4.813 1.182 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -2.774 4.837 0.084 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -3.882 3.445 0.081 1.00 0.00 H new ATOM 1201 N ILE A 78 1.321 0.749 1.074 1.00 0.00 N ATOM 1202 CA ILE A 78 2.095 -0.406 0.602 1.00 0.00 C ATOM 1203 C ILE A 78 2.122 -1.535 1.663 1.00 0.00 C ATOM 1204 O ILE A 78 2.014 -2.708 1.300 1.00 0.00 O ATOM 1205 CB ILE A 78 3.492 0.144 0.240 1.00 0.00 C ATOM 1206 CG1 ILE A 78 3.497 1.095 -0.959 1.00 0.00 C ATOM 1207 CG2 ILE A 78 4.498 -0.982 0.038 1.00 0.00 C ATOM 1208 CD1 ILE A 78 4.832 1.816 -1.169 1.00 0.00 C ATOM 0 H ILE A 78 1.851 1.619 1.128 1.00 0.00 H new ATOM 0 HA ILE A 78 1.647 -0.876 -0.274 1.00 0.00 H new ATOM 0 HB ILE A 78 3.796 0.741 1.100 1.00 0.00 H new ATOM 0 HG12 ILE A 78 3.253 0.531 -1.859 1.00 0.00 H new ATOM 0 HG13 ILE A 78 2.710 1.838 -0.825 1.00 0.00 H new ATOM 0 HG21 ILE A 78 5.470 -0.560 -0.216 1.00 0.00 H new ATOM 0 HG22 ILE A 78 4.583 -1.563 0.956 1.00 0.00 H new ATOM 0 HG23 ILE A 78 4.161 -1.630 -0.771 1.00 0.00 H new ATOM 0 HD11 ILE A 78 4.759 2.472 -2.036 1.00 0.00 H new ATOM 0 HD12 ILE A 78 5.069 2.408 -0.285 1.00 0.00 H new ATOM 0 HD13 ILE A 78 5.620 1.081 -1.335 1.00 0.00 H new ATOM 1220 N SER A 79 2.235 -1.223 2.962 1.00 0.00 N ATOM 1221 CA SER A 79 2.138 -2.277 3.990 1.00 0.00 C ATOM 1222 C SER A 79 0.738 -2.924 4.057 1.00 0.00 C ATOM 1223 O SER A 79 0.618 -4.140 4.216 1.00 0.00 O ATOM 1224 CB SER A 79 2.518 -1.695 5.355 1.00 0.00 C ATOM 1225 OG SER A 79 3.849 -1.199 5.325 1.00 0.00 O ATOM 0 H SER A 79 2.389 -0.281 3.321 1.00 0.00 H new ATOM 0 HA SER A 79 2.833 -3.069 3.711 1.00 0.00 H new ATOM 0 HB2 SER A 79 1.829 -0.893 5.621 1.00 0.00 H new ATOM 0 HB3 SER A 79 2.426 -2.462 6.124 1.00 0.00 H new ATOM 0 HG SER A 79 4.080 -0.828 6.202 1.00 0.00 H new ATOM 1231 N VAL A 80 -0.316 -2.122 3.908 1.00 0.00 N ATOM 1232 CA VAL A 80 -1.690 -2.666 3.822 1.00 0.00 C ATOM 1233 C VAL A 80 -1.871 -3.575 2.589 1.00 0.00 C ATOM 1234 O VAL A 80 -2.488 -4.636 2.694 1.00 0.00 O ATOM 1235 CB VAL A 80 -2.734 -1.528 3.839 1.00 0.00 C ATOM 1236 CG1 VAL A 80 -4.168 -2.059 3.711 1.00 0.00 C ATOM 1237 CG2 VAL A 80 -2.656 -0.716 5.138 1.00 0.00 C ATOM 0 H VAL A 80 -0.257 -1.106 3.844 1.00 0.00 H new ATOM 0 HA VAL A 80 -1.853 -3.287 4.703 1.00 0.00 H new ATOM 0 HB VAL A 80 -2.497 -0.898 2.982 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -4.868 -1.224 3.728 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -4.273 -2.602 2.771 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -4.383 -2.729 4.543 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -3.404 0.077 5.117 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -2.845 -1.371 5.988 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -1.663 -0.276 5.233 1.00 0.00 H new ATOM 1247 N LEU A 81 -1.329 -3.191 1.430 1.00 0.00 N ATOM 1248 CA LEU A 81 -1.358 -4.072 0.251 1.00 0.00 C ATOM 1249 C LEU A 81 -0.638 -5.409 0.495 1.00 0.00 C ATOM 1250 O LEU A 81 -1.132 -6.456 0.082 1.00 0.00 O ATOM 1251 CB LEU A 81 -0.706 -3.350 -0.942 1.00 0.00 C ATOM 1252 CG LEU A 81 -1.680 -2.542 -1.813 1.00 0.00 C ATOM 1253 CD1 LEU A 81 -2.208 -1.298 -1.096 1.00 0.00 C ATOM 1254 CD2 LEU A 81 -0.955 -2.095 -3.082 1.00 0.00 C ATOM 0 H LEU A 81 -0.871 -2.292 1.280 1.00 0.00 H new ATOM 0 HA LEU A 81 -2.403 -4.299 0.039 1.00 0.00 H new ATOM 0 HB2 LEU A 81 0.066 -2.679 -0.565 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -0.207 -4.090 -1.569 1.00 0.00 H new ATOM 0 HG LEU A 81 -2.529 -3.187 -2.041 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -2.892 -0.762 -1.754 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -2.735 -1.597 -0.190 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -1.373 -0.648 -0.833 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -1.638 -1.520 -3.708 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -0.100 -1.475 -2.813 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -0.610 -2.971 -3.631 1.00 0.00 H new ATOM 1266 N ALA A 82 0.516 -5.389 1.167 1.00 0.00 N ATOM 1267 CA ALA A 82 1.209 -6.637 1.522 1.00 0.00 C ATOM 1268 C ALA A 82 0.414 -7.537 2.484 1.00 0.00 C ATOM 1269 O ALA A 82 0.581 -8.757 2.475 1.00 0.00 O ATOM 1270 CB ALA A 82 2.562 -6.258 2.127 1.00 0.00 C ATOM 0 H ALA A 82 0.987 -4.538 1.474 1.00 0.00 H new ATOM 0 HA ALA A 82 1.329 -7.231 0.616 1.00 0.00 H new ATOM 0 HB1 ALA A 82 3.104 -7.163 2.402 1.00 0.00 H new ATOM 0 HB2 ALA A 82 3.143 -5.696 1.396 1.00 0.00 H new ATOM 0 HB3 ALA A 82 2.405 -5.645 3.015 1.00 0.00 H new ATOM 1276 N ASP A 83 -0.419 -6.947 3.342 1.00 0.00 N ATOM 1277 CA ASP A 83 -1.135 -7.735 4.366 1.00 0.00 C ATOM 1278 C ASP A 83 -2.303 -8.604 3.849 1.00 0.00 C ATOM 1279 O ASP A 83 -2.845 -9.427 4.586 1.00 0.00 O ATOM 1280 CB ASP A 83 -1.595 -6.773 5.472 1.00 0.00 C ATOM 1281 CG ASP A 83 -2.092 -7.489 6.725 1.00 0.00 C ATOM 1282 OD1 ASP A 83 -1.255 -8.011 7.494 1.00 0.00 O ATOM 1283 OD2 ASP A 83 -3.321 -7.531 6.948 1.00 0.00 O ATOM 0 H ASP A 83 -0.617 -5.947 3.356 1.00 0.00 H new ATOM 0 HA ASP A 83 -0.429 -8.473 4.747 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -0.767 -6.117 5.741 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -2.392 -6.138 5.084 1.00 0.00 H new ATOM 1288 N SER A 84 -2.696 -8.419 2.594 1.00 0.00 N ATOM 1289 CA SER A 84 -3.814 -9.193 2.017 1.00 0.00 C ATOM 1290 C SER A 84 -3.350 -10.287 1.036 1.00 0.00 C ATOM 1291 O SER A 84 -4.031 -10.570 0.048 1.00 0.00 O ATOM 1292 CB SER A 84 -4.767 -8.235 1.299 1.00 0.00 C ATOM 1293 OG SER A 84 -5.177 -7.180 2.161 1.00 0.00 O ATOM 0 H SER A 84 -2.269 -7.750 1.954 1.00 0.00 H new ATOM 0 HA SER A 84 -4.316 -9.700 2.841 1.00 0.00 H new ATOM 0 HB2 SER A 84 -4.276 -7.820 0.419 1.00 0.00 H new ATOM 0 HB3 SER A 84 -5.642 -8.782 0.947 1.00 0.00 H new ATOM 0 HG SER A 84 -5.784 -6.581 1.679 1.00 0.00 H new ATOM 1299 N LEU A 85 -2.190 -10.897 1.274 1.00 0.00 N ATOM 1300 CA LEU A 85 -1.544 -11.706 0.240 1.00 0.00 C ATOM 1301 C LEU A 85 -1.059 -13.046 0.811 1.00 0.00 C ATOM 1302 O LEU A 85 -0.804 -13.197 2.007 1.00 0.00 O ATOM 1303 CB LEU A 85 -0.333 -10.903 -0.256 1.00 0.00 C ATOM 1304 CG LEU A 85 -0.637 -9.526 -0.871 1.00 0.00 C ATOM 1305 CD1 LEU A 85 0.673 -8.841 -1.262 1.00 0.00 C ATOM 1306 CD2 LEU A 85 -1.529 -9.628 -2.111 1.00 0.00 C ATOM 0 H LEU A 85 -1.684 -10.849 2.158 1.00 0.00 H new ATOM 0 HA LEU A 85 -2.249 -11.922 -0.563 1.00 0.00 H new ATOM 0 HB2 LEU A 85 0.350 -10.761 0.581 1.00 0.00 H new ATOM 0 HB3 LEU A 85 0.194 -11.501 -0.999 1.00 0.00 H new ATOM 0 HG LEU A 85 -1.170 -8.945 -0.118 1.00 0.00 H new ATOM 0 HD11 LEU A 85 0.458 -7.865 -1.698 1.00 0.00 H new ATOM 0 HD12 LEU A 85 1.295 -8.713 -0.376 1.00 0.00 H new ATOM 0 HD13 LEU A 85 1.201 -9.455 -1.991 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -1.715 -8.630 -2.508 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -1.031 -10.233 -2.869 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -2.477 -10.093 -1.840 1.00 0.00 H new ATOM 1318 N LYS A 86 -0.848 -13.996 -0.094 1.00 0.00 N ATOM 1319 CA LYS A 86 -0.099 -15.219 0.228 1.00 0.00 C ATOM 1320 C LYS A 86 1.204 -15.104 -0.615 1.00 0.00 C ATOM 1321 O LYS A 86 1.613 -13.977 -0.910 1.00 0.00 O ATOM 1322 CB LYS A 86 -1.040 -16.428 0.054 1.00 0.00 C ATOM 1323 CG LYS A 86 -2.396 -16.287 0.761 1.00 0.00 C ATOM 1324 CD LYS A 86 -3.164 -17.611 0.732 1.00 0.00 C ATOM 1325 CE LYS A 86 -4.506 -17.500 1.459 1.00 0.00 C ATOM 1326 NZ LYS A 86 -5.198 -18.797 1.462 1.00 0.00 N ATOM 0 H LYS A 86 -1.182 -13.949 -1.057 1.00 0.00 H new ATOM 0 HA LYS A 86 0.234 -15.362 1.256 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -1.214 -16.586 -1.010 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -0.539 -17.320 0.431 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -2.242 -15.973 1.793 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -2.985 -15.509 0.276 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -3.333 -17.911 -0.302 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -2.562 -18.392 1.196 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -4.345 -17.165 2.484 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -5.129 -16.750 0.972 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -6.107 -18.704 1.959 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -5.369 -19.102 0.482 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -4.609 -19.504 1.947 1.00 0.00 H new ATOM 1340 N PRO A 87 1.951 -16.152 -0.988 1.00 0.00 N ATOM 1341 CA PRO A 87 3.280 -15.980 -1.601 1.00 0.00 C ATOM 1342 C PRO A 87 3.252 -15.241 -2.950 1.00 0.00 C ATOM 1343 O PRO A 87 4.205 -14.532 -3.271 1.00 0.00 O ATOM 1344 CB PRO A 87 3.822 -17.411 -1.682 1.00 0.00 C ATOM 1345 CG PRO A 87 2.611 -18.324 -1.496 1.00 0.00 C ATOM 1346 CD PRO A 87 1.648 -17.524 -0.621 1.00 0.00 C ATOM 0 HA PRO A 87 3.927 -15.328 -1.014 1.00 0.00 H new ATOM 0 HB2 PRO A 87 4.305 -17.593 -2.642 1.00 0.00 H new ATOM 0 HB3 PRO A 87 4.570 -17.591 -0.910 1.00 0.00 H new ATOM 0 HG2 PRO A 87 2.157 -18.578 -2.454 1.00 0.00 H new ATOM 0 HG3 PRO A 87 2.893 -19.262 -1.018 1.00 0.00 H new ATOM 0 HD2 PRO A 87 0.608 -17.778 -0.826 1.00 0.00 H new ATOM 0 HD3 PRO A 87 1.818 -17.707 0.440 1.00 0.00 H new ATOM 1354 N ASN A 88 2.202 -15.422 -3.754 1.00 0.00 N ATOM 1355 CA ASN A 88 2.221 -14.904 -5.141 1.00 0.00 C ATOM 1356 C ASN A 88 1.601 -13.491 -5.183 1.00 0.00 C ATOM 1357 O ASN A 88 0.813 -13.168 -6.073 1.00 0.00 O ATOM 1358 CB ASN A 88 1.510 -15.842 -6.138 1.00 0.00 C ATOM 1359 CG ASN A 88 2.022 -17.281 -6.086 1.00 0.00 C ATOM 1360 OD1 ASN A 88 1.380 -18.175 -5.534 1.00 0.00 O ATOM 1361 ND2 ASN A 88 3.186 -17.524 -6.663 1.00 0.00 N ATOM 0 H ASN A 88 1.346 -15.908 -3.487 1.00 0.00 H new ATOM 0 HA ASN A 88 3.264 -14.853 -5.454 1.00 0.00 H new ATOM 0 HB2 ASN A 88 0.440 -15.837 -5.931 1.00 0.00 H new ATOM 0 HB3 ASN A 88 1.641 -15.454 -7.148 1.00 0.00 H new ATOM 0 HD21 ASN A 88 3.571 -18.469 -6.657 1.00 0.00 H new ATOM 0 HD22 ASN A 88 3.700 -16.767 -7.114 1.00 0.00 H new ATOM 1368 N GLY A 89 1.995 -12.629 -4.246 1.00 0.00 N ATOM 1369 CA GLY A 89 1.592 -11.219 -4.302 1.00 0.00 C ATOM 1370 C GLY A 89 2.479 -10.495 -5.295 1.00 0.00 C ATOM 1371 O GLY A 89 3.689 -10.436 -5.115 1.00 0.00 O ATOM 0 H GLY A 89 2.584 -12.874 -3.450 1.00 0.00 H new ATOM 0 HA2 GLY A 89 0.547 -11.137 -4.600 1.00 0.00 H new ATOM 0 HA3 GLY A 89 1.679 -10.763 -3.316 1.00 0.00 H new ATOM 1375 N SER A 90 1.890 -9.984 -6.359 1.00 0.00 N ATOM 1376 CA SER A 90 2.695 -9.531 -7.500 1.00 0.00 C ATOM 1377 C SER A 90 2.053 -8.224 -7.978 1.00 0.00 C ATOM 1378 O SER A 90 0.951 -8.190 -8.530 1.00 0.00 O ATOM 1379 CB SER A 90 2.738 -10.642 -8.550 1.00 0.00 C ATOM 1380 OG SER A 90 3.207 -10.147 -9.795 1.00 0.00 O ATOM 0 H SER A 90 0.882 -9.870 -6.467 1.00 0.00 H new ATOM 0 HA SER A 90 3.738 -9.329 -7.254 1.00 0.00 H new ATOM 0 HB2 SER A 90 3.388 -11.447 -8.207 1.00 0.00 H new ATOM 0 HB3 SER A 90 1.742 -11.068 -8.675 1.00 0.00 H new ATOM 0 HG SER A 90 3.227 -10.876 -10.450 1.00 0.00 H new ATOM 1386 N LEU A 91 2.749 -7.135 -7.686 1.00 0.00 N ATOM 1387 CA LEU A 91 2.241 -5.787 -7.853 1.00 0.00 C ATOM 1388 C LEU A 91 2.642 -5.327 -9.251 1.00 0.00 C ATOM 1389 O LEU A 91 3.818 -5.390 -9.605 1.00 0.00 O ATOM 1390 CB LEU A 91 2.968 -5.046 -6.718 1.00 0.00 C ATOM 1391 CG LEU A 91 2.657 -3.557 -6.652 1.00 0.00 C ATOM 1392 CD1 LEU A 91 2.205 -3.153 -5.246 1.00 0.00 C ATOM 1393 CD2 LEU A 91 3.888 -2.739 -7.032 1.00 0.00 C ATOM 0 H LEU A 91 3.700 -7.167 -7.320 1.00 0.00 H new ATOM 0 HA LEU A 91 1.163 -5.642 -7.790 1.00 0.00 H new ATOM 0 HB2 LEU A 91 2.699 -5.505 -5.767 1.00 0.00 H new ATOM 0 HB3 LEU A 91 4.043 -5.177 -6.842 1.00 0.00 H new ATOM 0 HG LEU A 91 1.851 -3.356 -7.357 1.00 0.00 H new ATOM 0 HD11 LEU A 91 1.989 -2.085 -5.226 1.00 0.00 H new ATOM 0 HD12 LEU A 91 1.307 -3.710 -4.979 1.00 0.00 H new ATOM 0 HD13 LEU A 91 2.997 -3.377 -4.531 1.00 0.00 H new ATOM 0 HD21 LEU A 91 3.649 -1.677 -6.980 1.00 0.00 H new ATOM 0 HD22 LEU A 91 4.701 -2.963 -6.341 1.00 0.00 H new ATOM 0 HD23 LEU A 91 4.194 -2.993 -8.047 1.00 0.00 H new ATOM 1405 N ILE A 92 1.695 -4.808 -10.028 1.00 0.00 N ATOM 1406 CA ILE A 92 2.053 -4.160 -11.300 1.00 0.00 C ATOM 1407 C ILE A 92 1.928 -2.661 -11.162 1.00 0.00 C ATOM 1408 O ILE A 92 0.868 -2.070 -11.387 1.00 0.00 O ATOM 1409 CB ILE A 92 1.173 -4.681 -12.434 1.00 0.00 C ATOM 1410 CG1 ILE A 92 1.256 -6.204 -12.579 1.00 0.00 C ATOM 1411 CG2 ILE A 92 1.529 -4.017 -13.775 1.00 0.00 C ATOM 1412 CD1 ILE A 92 2.711 -6.644 -12.533 1.00 0.00 C ATOM 0 H ILE A 92 0.698 -4.818 -9.813 1.00 0.00 H new ATOM 0 HA ILE A 92 3.087 -4.402 -11.544 1.00 0.00 H new ATOM 0 HB ILE A 92 0.149 -4.418 -12.168 1.00 0.00 H new ATOM 0 HG12 ILE A 92 0.695 -6.686 -11.779 1.00 0.00 H new ATOM 0 HG13 ILE A 92 0.801 -6.515 -13.520 1.00 0.00 H new ATOM 0 HG21 ILE A 92 0.883 -4.412 -14.559 1.00 0.00 H new ATOM 0 HG22 ILE A 92 1.387 -2.939 -13.696 1.00 0.00 H new ATOM 0 HG23 ILE A 92 2.569 -4.229 -14.021 1.00 0.00 H new ATOM 0 HD11 ILE A 92 2.767 -7.728 -12.636 1.00 0.00 H new ATOM 0 HD12 ILE A 92 3.260 -6.173 -13.349 1.00 0.00 H new ATOM 0 HD13 ILE A 92 3.151 -6.347 -11.581 1.00 0.00 H new ATOM 1424 N GLY A 93 3.010 -2.079 -10.687 1.00 0.00 N ATOM 1425 CA GLY A 93 2.893 -0.702 -10.228 1.00 0.00 C ATOM 1426 C GLY A 93 4.015 0.298 -10.428 1.00 0.00 C ATOM 1427 O GLY A 93 3.943 1.153 -11.312 1.00 0.00 O ATOM 0 H GLY A 93 3.934 -2.504 -10.608 1.00 0.00 H new ATOM 0 HA2 GLY A 93 2.007 -0.283 -10.705 1.00 0.00 H new ATOM 0 HA3 GLY A 93 2.691 -0.741 -9.158 1.00 0.00 H new ATOM 1431 N LEU A 94 4.997 0.301 -9.535 1.00 0.00 N ATOM 1432 CA LEU A 94 5.523 1.595 -9.082 1.00 0.00 C ATOM 1433 C LEU A 94 6.997 1.751 -9.512 1.00 0.00 C ATOM 1434 O LEU A 94 7.617 0.842 -10.066 1.00 0.00 O ATOM 1435 CB LEU A 94 5.562 1.578 -7.540 1.00 0.00 C ATOM 1436 CG LEU A 94 4.345 1.475 -6.606 1.00 0.00 C ATOM 1437 CD1 LEU A 94 3.033 1.154 -7.246 1.00 0.00 C ATOM 1438 CD2 LEU A 94 4.581 0.518 -5.439 1.00 0.00 C ATOM 0 H LEU A 94 5.430 -0.526 -9.125 1.00 0.00 H new ATOM 0 HA LEU A 94 4.900 2.388 -9.495 1.00 0.00 H new ATOM 0 HB2 LEU A 94 6.211 0.744 -7.271 1.00 0.00 H new ATOM 0 HB3 LEU A 94 6.080 2.492 -7.249 1.00 0.00 H new ATOM 0 HG LEU A 94 4.255 2.500 -6.246 1.00 0.00 H new ATOM 0 HD11 LEU A 94 2.257 1.110 -6.482 1.00 0.00 H new ATOM 0 HD12 LEU A 94 2.784 1.927 -7.972 1.00 0.00 H new ATOM 0 HD13 LEU A 94 3.101 0.190 -7.751 1.00 0.00 H new ATOM 0 HD21 LEU A 94 3.691 0.483 -4.811 1.00 0.00 H new ATOM 0 HD22 LEU A 94 4.793 -0.480 -5.824 1.00 0.00 H new ATOM 0 HD23 LEU A 94 5.428 0.867 -4.848 1.00 0.00 H new ATOM 1450 N SER A 95 7.526 2.958 -9.313 1.00 0.00 N ATOM 1451 CA SER A 95 8.777 3.364 -9.984 1.00 0.00 C ATOM 1452 C SER A 95 9.970 3.491 -9.009 1.00 0.00 C ATOM 1453 O SER A 95 10.287 2.539 -8.295 1.00 0.00 O ATOM 1454 CB SER A 95 8.479 4.634 -10.804 1.00 0.00 C ATOM 1455 OG SER A 95 8.049 5.693 -9.959 1.00 0.00 O ATOM 0 H SER A 95 7.121 3.668 -8.703 1.00 0.00 H new ATOM 0 HA SER A 95 9.110 2.583 -10.668 1.00 0.00 H new ATOM 0 HB2 SER A 95 9.373 4.938 -11.349 1.00 0.00 H new ATOM 0 HB3 SER A 95 7.710 4.420 -11.546 1.00 0.00 H new ATOM 0 HG SER A 95 7.867 6.490 -10.500 1.00 0.00 H new ATOM 1461 N ASP A 96 10.694 4.616 -9.036 1.00 0.00 N ATOM 1462 CA ASP A 96 12.086 4.629 -8.540 1.00 0.00 C ATOM 1463 C ASP A 96 12.255 4.702 -7.017 1.00 0.00 C ATOM 1464 O ASP A 96 13.026 3.921 -6.459 1.00 0.00 O ATOM 1465 CB ASP A 96 12.863 5.777 -9.204 1.00 0.00 C ATOM 1466 CG ASP A 96 12.982 5.618 -10.715 1.00 0.00 C ATOM 1467 OD1 ASP A 96 13.891 4.892 -11.176 1.00 0.00 O ATOM 1468 OD2 ASP A 96 12.168 6.218 -11.452 1.00 0.00 O ATOM 0 H ASP A 96 10.355 5.512 -9.386 1.00 0.00 H new ATOM 0 HA ASP A 96 12.490 3.656 -8.819 1.00 0.00 H new ATOM 0 HB2 ASP A 96 12.366 6.721 -8.981 1.00 0.00 H new ATOM 0 HB3 ASP A 96 13.861 5.832 -8.770 1.00 0.00 H new ATOM 1473 N ILE A 97 11.559 5.603 -6.323 1.00 0.00 N ATOM 1474 CA ILE A 97 11.578 5.574 -4.831 1.00 0.00 C ATOM 1475 C ILE A 97 11.044 4.225 -4.287 1.00 0.00 C ATOM 1476 O ILE A 97 11.420 3.692 -3.229 1.00 0.00 O ATOM 1477 CB ILE A 97 10.717 6.717 -4.237 1.00 0.00 C ATOM 1478 CG1 ILE A 97 10.782 8.020 -5.049 1.00 0.00 C ATOM 1479 CG2 ILE A 97 11.082 6.969 -2.770 1.00 0.00 C ATOM 1480 CD1 ILE A 97 12.160 8.685 -5.082 1.00 0.00 C ATOM 0 H ILE A 97 10.990 6.342 -6.735 1.00 0.00 H new ATOM 0 HA ILE A 97 12.617 5.703 -4.529 1.00 0.00 H new ATOM 0 HB ILE A 97 9.683 6.377 -4.293 1.00 0.00 H new ATOM 0 HG12 ILE A 97 10.470 7.810 -6.072 1.00 0.00 H new ATOM 0 HG13 ILE A 97 10.063 8.726 -4.635 1.00 0.00 H new ATOM 0 HG21 ILE A 97 10.464 7.776 -2.375 1.00 0.00 H new ATOM 0 HG22 ILE A 97 10.908 6.062 -2.191 1.00 0.00 H new ATOM 0 HG23 ILE A 97 12.133 7.249 -2.699 1.00 0.00 H new ATOM 0 HD11 ILE A 97 12.110 9.597 -5.677 1.00 0.00 H new ATOM 0 HD12 ILE A 97 12.470 8.931 -4.066 1.00 0.00 H new ATOM 0 HD13 ILE A 97 12.883 8.001 -5.526 1.00 0.00 H new ATOM 1492 N TYR A 98 10.146 3.657 -5.080 1.00 0.00 N ATOM 1493 CA TYR A 98 9.444 2.455 -4.664 1.00 0.00 C ATOM 1494 C TYR A 98 10.350 1.206 -4.793 1.00 0.00 C ATOM 1495 O TYR A 98 10.040 0.155 -4.241 1.00 0.00 O ATOM 1496 CB TYR A 98 8.122 2.387 -5.429 1.00 0.00 C ATOM 1497 CG TYR A 98 7.292 3.646 -5.235 1.00 0.00 C ATOM 1498 CD1 TYR A 98 6.565 3.809 -4.097 1.00 0.00 C ATOM 1499 CD2 TYR A 98 7.300 4.626 -6.179 1.00 0.00 C ATOM 1500 CE1 TYR A 98 5.799 4.916 -3.934 1.00 0.00 C ATOM 1501 CE2 TYR A 98 6.531 5.730 -6.019 1.00 0.00 C ATOM 1502 CZ TYR A 98 5.782 5.877 -4.893 1.00 0.00 C ATOM 1503 OH TYR A 98 5.038 7.011 -4.709 1.00 0.00 O ATOM 0 H TYR A 98 9.890 4.005 -6.004 1.00 0.00 H new ATOM 0 HA TYR A 98 9.196 2.484 -3.603 1.00 0.00 H new ATOM 0 HB2 TYR A 98 8.323 2.244 -6.491 1.00 0.00 H new ATOM 0 HB3 TYR A 98 7.552 1.521 -5.093 1.00 0.00 H new ATOM 0 HD1 TYR A 98 6.598 3.057 -3.323 1.00 0.00 H new ATOM 0 HD2 TYR A 98 7.920 4.524 -7.057 1.00 0.00 H new ATOM 0 HE1 TYR A 98 5.202 5.033 -3.041 1.00 0.00 H new ATOM 0 HE2 TYR A 98 6.513 6.492 -6.784 1.00 0.00 H new ATOM 0 HH TYR A 98 5.462 7.760 -5.178 1.00 0.00 H new ATOM 1513 N LYS A 99 11.508 1.319 -5.445 1.00 0.00 N ATOM 1514 CA LYS A 99 12.494 0.225 -5.467 1.00 0.00 C ATOM 1515 C LYS A 99 13.074 -0.074 -4.076 1.00 0.00 C ATOM 1516 O LYS A 99 13.098 -1.227 -3.644 1.00 0.00 O ATOM 1517 CB LYS A 99 13.638 0.557 -6.438 1.00 0.00 C ATOM 1518 CG LYS A 99 13.201 0.531 -7.904 1.00 0.00 C ATOM 1519 CD LYS A 99 14.359 0.909 -8.835 1.00 0.00 C ATOM 1520 CE LYS A 99 14.006 0.758 -10.319 1.00 0.00 C ATOM 1521 NZ LYS A 99 12.926 1.675 -10.721 1.00 0.00 N ATOM 0 H LYS A 99 11.790 2.151 -5.964 1.00 0.00 H new ATOM 0 HA LYS A 99 11.966 -0.667 -5.804 1.00 0.00 H new ATOM 0 HB2 LYS A 99 14.035 1.544 -6.200 1.00 0.00 H new ATOM 0 HB3 LYS A 99 14.449 -0.156 -6.293 1.00 0.00 H new ATOM 0 HG2 LYS A 99 12.835 -0.464 -8.160 1.00 0.00 H new ATOM 0 HG3 LYS A 99 12.372 1.223 -8.051 1.00 0.00 H new ATOM 0 HD2 LYS A 99 14.653 1.940 -8.640 1.00 0.00 H new ATOM 0 HD3 LYS A 99 15.221 0.283 -8.606 1.00 0.00 H new ATOM 0 HE2 LYS A 99 14.891 0.952 -10.925 1.00 0.00 H new ATOM 0 HE3 LYS A 99 13.703 -0.270 -10.518 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 12.716 1.543 -11.731 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 12.073 1.474 -10.161 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 13.225 2.657 -10.555 1.00 0.00 H new ATOM 1535 N VAL A 100 13.526 0.954 -3.359 1.00 0.00 N ATOM 1536 CA VAL A 100 13.958 0.762 -1.959 1.00 0.00 C ATOM 1537 C VAL A 100 12.773 0.349 -1.063 1.00 0.00 C ATOM 1538 O VAL A 100 12.927 -0.491 -0.170 1.00 0.00 O ATOM 1539 CB VAL A 100 14.641 2.046 -1.438 1.00 0.00 C ATOM 1540 CG1 VAL A 100 15.128 1.881 0.008 1.00 0.00 C ATOM 1541 CG2 VAL A 100 15.846 2.438 -2.302 1.00 0.00 C ATOM 0 H VAL A 100 13.605 1.910 -3.706 1.00 0.00 H new ATOM 0 HA VAL A 100 14.683 -0.051 -1.925 1.00 0.00 H new ATOM 0 HB VAL A 100 13.884 2.829 -1.486 1.00 0.00 H new ATOM 0 HG11 VAL A 100 15.603 2.804 0.340 1.00 0.00 H new ATOM 0 HG12 VAL A 100 14.279 1.657 0.654 1.00 0.00 H new ATOM 0 HG13 VAL A 100 15.848 1.064 0.058 1.00 0.00 H new ATOM 0 HG21 VAL A 100 16.299 3.346 -1.904 1.00 0.00 H new ATOM 0 HG22 VAL A 100 16.579 1.631 -2.291 1.00 0.00 H new ATOM 0 HG23 VAL A 100 15.517 2.616 -3.326 1.00 0.00 H new ATOM 1551 N ASP A 101 11.581 0.898 -1.312 1.00 0.00 N ATOM 1552 CA ASP A 101 10.386 0.405 -0.609 1.00 0.00 C ATOM 1553 C ASP A 101 10.103 -1.082 -0.879 1.00 0.00 C ATOM 1554 O ASP A 101 9.775 -1.825 0.044 1.00 0.00 O ATOM 1555 CB ASP A 101 9.197 1.224 -1.103 1.00 0.00 C ATOM 1556 CG ASP A 101 8.685 2.237 -0.089 1.00 0.00 C ATOM 1557 OD1 ASP A 101 8.045 1.826 0.903 1.00 0.00 O ATOM 1558 OD2 ASP A 101 8.916 3.450 -0.282 1.00 0.00 O ATOM 0 H ASP A 101 11.415 1.658 -1.971 1.00 0.00 H new ATOM 0 HA ASP A 101 10.552 0.510 0.463 1.00 0.00 H new ATOM 0 HB2 ASP A 101 9.483 1.749 -2.014 1.00 0.00 H new ATOM 0 HB3 ASP A 101 8.385 0.546 -1.367 1.00 0.00 H new ATOM 1563 N ALA A 102 10.227 -1.524 -2.135 1.00 0.00 N ATOM 1564 CA ALA A 102 10.084 -2.947 -2.458 1.00 0.00 C ATOM 1565 C ALA A 102 11.080 -3.800 -1.663 1.00 0.00 C ATOM 1566 O ALA A 102 10.735 -4.852 -1.131 1.00 0.00 O ATOM 1567 CB ALA A 102 10.383 -3.134 -3.944 1.00 0.00 C ATOM 0 H ALA A 102 10.424 -0.924 -2.936 1.00 0.00 H new ATOM 0 HA ALA A 102 9.071 -3.261 -2.206 1.00 0.00 H new ATOM 0 HB1 ALA A 102 10.282 -4.187 -4.206 1.00 0.00 H new ATOM 0 HB2 ALA A 102 9.681 -2.545 -4.533 1.00 0.00 H new ATOM 0 HB3 ALA A 102 11.400 -2.804 -4.155 1.00 0.00 H new ATOM 1573 N LEU A 103 12.325 -3.327 -1.580 1.00 0.00 N ATOM 1574 CA LEU A 103 13.376 -4.051 -0.846 1.00 0.00 C ATOM 1575 C LEU A 103 13.001 -4.332 0.611 1.00 0.00 C ATOM 1576 O LEU A 103 13.175 -5.439 1.119 1.00 0.00 O ATOM 1577 CB LEU A 103 14.653 -3.189 -0.856 1.00 0.00 C ATOM 1578 CG LEU A 103 15.950 -3.999 -0.691 1.00 0.00 C ATOM 1579 CD1 LEU A 103 16.234 -4.869 -1.920 1.00 0.00 C ATOM 1580 CD2 LEU A 103 17.126 -3.044 -0.468 1.00 0.00 C ATOM 0 H LEU A 103 12.633 -2.453 -2.007 1.00 0.00 H new ATOM 0 HA LEU A 103 13.520 -5.012 -1.341 1.00 0.00 H new ATOM 0 HB2 LEU A 103 14.699 -2.635 -1.793 1.00 0.00 H new ATOM 0 HB3 LEU A 103 14.590 -2.454 -0.054 1.00 0.00 H new ATOM 0 HG LEU A 103 15.826 -4.656 0.170 1.00 0.00 H new ATOM 0 HD11 LEU A 103 17.158 -5.426 -1.766 1.00 0.00 H new ATOM 0 HD12 LEU A 103 15.410 -5.567 -2.070 1.00 0.00 H new ATOM 0 HD13 LEU A 103 16.336 -4.234 -2.800 1.00 0.00 H new ATOM 0 HD21 LEU A 103 18.045 -3.619 -0.351 1.00 0.00 H new ATOM 0 HD22 LEU A 103 17.221 -2.378 -1.326 1.00 0.00 H new ATOM 0 HD23 LEU A 103 16.950 -2.454 0.432 1.00 0.00 H new ATOM 1592 N ILE A 104 12.526 -3.291 1.284 1.00 0.00 N ATOM 1593 CA ILE A 104 12.336 -3.359 2.740 1.00 0.00 C ATOM 1594 C ILE A 104 11.040 -4.085 3.139 1.00 0.00 C ATOM 1595 O ILE A 104 11.015 -4.849 4.105 1.00 0.00 O ATOM 1596 CB ILE A 104 12.495 -1.915 3.238 1.00 0.00 C ATOM 1597 CG1 ILE A 104 12.985 -1.901 4.695 1.00 0.00 C ATOM 1598 CG2 ILE A 104 11.227 -1.064 3.072 1.00 0.00 C ATOM 1599 CD1 ILE A 104 13.427 -0.513 5.162 1.00 0.00 C ATOM 0 H ILE A 104 12.267 -2.400 0.860 1.00 0.00 H new ATOM 0 HA ILE A 104 13.078 -3.985 3.235 1.00 0.00 H new ATOM 0 HB ILE A 104 13.248 -1.450 2.602 1.00 0.00 H new ATOM 0 HG12 ILE A 104 12.187 -2.260 5.345 1.00 0.00 H new ATOM 0 HG13 ILE A 104 13.818 -2.596 4.799 1.00 0.00 H new ATOM 0 HG21 ILE A 104 11.413 -0.057 3.445 1.00 0.00 H new ATOM 0 HG22 ILE A 104 10.956 -1.016 2.017 1.00 0.00 H new ATOM 0 HG23 ILE A 104 10.410 -1.514 3.636 1.00 0.00 H new ATOM 0 HD11 ILE A 104 13.762 -0.567 6.198 1.00 0.00 H new ATOM 0 HD12 ILE A 104 14.245 -0.161 4.534 1.00 0.00 H new ATOM 0 HD13 ILE A 104 12.589 0.180 5.088 1.00 0.00 H new ATOM 1611 N ASN A 105 9.988 -3.914 2.343 1.00 0.00 N ATOM 1612 CA ASN A 105 8.781 -4.726 2.461 1.00 0.00 C ATOM 1613 C ASN A 105 8.938 -6.186 1.980 1.00 0.00 C ATOM 1614 O ASN A 105 7.981 -6.956 2.073 1.00 0.00 O ATOM 1615 CB ASN A 105 7.784 -3.983 1.561 1.00 0.00 C ATOM 1616 CG ASN A 105 6.922 -2.973 2.319 1.00 0.00 C ATOM 1617 OD1 ASN A 105 5.887 -3.313 2.891 1.00 0.00 O ATOM 1618 ND2 ASN A 105 7.336 -1.719 2.328 1.00 0.00 N ATOM 0 H ASN A 105 9.948 -3.213 1.603 1.00 0.00 H new ATOM 0 HA ASN A 105 8.483 -4.828 3.505 1.00 0.00 H new ATOM 0 HB2 ASN A 105 8.332 -3.465 0.774 1.00 0.00 H new ATOM 0 HB3 ASN A 105 7.135 -4.710 1.072 1.00 0.00 H new ATOM 0 HD21 ASN A 105 6.794 -1.007 2.817 1.00 0.00 H new ATOM 0 HD22 ASN A 105 8.198 -1.463 1.846 1.00 0.00 H new ATOM 1625 N GLY A 106 10.118 -6.609 1.513 1.00 0.00 N ATOM 1626 CA GLY A 106 10.260 -7.979 0.988 1.00 0.00 C ATOM 1627 C GLY A 106 9.426 -8.253 -0.268 1.00 0.00 C ATOM 1628 O GLY A 106 8.862 -9.330 -0.456 1.00 0.00 O ATOM 0 H GLY A 106 10.967 -6.045 1.486 1.00 0.00 H new ATOM 0 HA2 GLY A 106 11.310 -8.164 0.762 1.00 0.00 H new ATOM 0 HA3 GLY A 106 9.972 -8.687 1.765 1.00 0.00 H new ATOM 1632 N PHE A 107 9.437 -7.261 -1.147 1.00 0.00 N ATOM 1633 CA PHE A 107 8.988 -7.415 -2.528 1.00 0.00 C ATOM 1634 C PHE A 107 10.236 -7.406 -3.400 1.00 0.00 C ATOM 1635 O PHE A 107 10.968 -6.417 -3.476 1.00 0.00 O ATOM 1636 CB PHE A 107 8.064 -6.377 -3.142 1.00 0.00 C ATOM 1637 CG PHE A 107 6.715 -6.106 -2.497 1.00 0.00 C ATOM 1638 CD1 PHE A 107 5.621 -6.831 -2.868 1.00 0.00 C ATOM 1639 CD2 PHE A 107 6.563 -5.039 -1.669 1.00 0.00 C ATOM 1640 CE1 PHE A 107 4.399 -6.528 -2.359 1.00 0.00 C ATOM 1641 CE2 PHE A 107 5.340 -4.734 -1.159 1.00 0.00 C ATOM 1642 CZ PHE A 107 4.259 -5.486 -1.497 1.00 0.00 C ATOM 0 H PHE A 107 9.759 -6.320 -0.923 1.00 0.00 H new ATOM 0 HA PHE A 107 8.392 -8.327 -2.492 1.00 0.00 H new ATOM 0 HB2 PHE A 107 8.607 -5.433 -3.173 1.00 0.00 H new ATOM 0 HB3 PHE A 107 7.880 -6.673 -4.175 1.00 0.00 H new ATOM 0 HD1 PHE A 107 5.727 -7.647 -3.567 1.00 0.00 H new ATOM 0 HD2 PHE A 107 7.418 -4.430 -1.415 1.00 0.00 H new ATOM 0 HE1 PHE A 107 3.537 -7.116 -2.639 1.00 0.00 H new ATOM 0 HE2 PHE A 107 5.228 -3.896 -0.487 1.00 0.00 H new ATOM 0 HZ PHE A 107 3.289 -5.256 -1.081 1.00 0.00 H new ATOM 1652 N GLU A 108 10.521 -8.547 -3.982 1.00 0.00 N ATOM 1653 CA GLU A 108 11.766 -8.697 -4.737 1.00 0.00 C ATOM 1654 C GLU A 108 11.411 -8.512 -6.214 1.00 0.00 C ATOM 1655 O GLU A 108 10.588 -9.211 -6.808 1.00 0.00 O ATOM 1656 CB GLU A 108 12.351 -10.092 -4.461 1.00 0.00 C ATOM 1657 CG GLU A 108 13.705 -10.335 -5.143 1.00 0.00 C ATOM 1658 CD GLU A 108 14.798 -9.411 -4.613 1.00 0.00 C ATOM 1659 OE1 GLU A 108 15.347 -9.688 -3.525 1.00 0.00 O ATOM 1660 OE2 GLU A 108 15.113 -8.405 -5.284 1.00 0.00 O ATOM 0 H GLU A 108 9.928 -9.377 -3.956 1.00 0.00 H new ATOM 0 HA GLU A 108 12.519 -7.964 -4.448 1.00 0.00 H new ATOM 0 HB2 GLU A 108 12.467 -10.222 -3.385 1.00 0.00 H new ATOM 0 HB3 GLU A 108 11.642 -10.848 -4.799 1.00 0.00 H new ATOM 0 HG2 GLU A 108 14.004 -11.372 -4.991 1.00 0.00 H new ATOM 0 HG3 GLU A 108 13.599 -10.188 -6.218 1.00 0.00 H new ATOM 1667 N ILE A 109 12.026 -7.468 -6.759 1.00 0.00 N ATOM 1668 CA ILE A 109 11.586 -6.868 -8.014 1.00 0.00 C ATOM 1669 C ILE A 109 11.962 -7.733 -9.221 1.00 0.00 C ATOM 1670 O ILE A 109 12.924 -8.505 -9.217 1.00 0.00 O ATOM 1671 CB ILE A 109 12.271 -5.488 -7.998 1.00 0.00 C ATOM 1672 CG1 ILE A 109 11.551 -4.495 -7.074 1.00 0.00 C ATOM 1673 CG2 ILE A 109 12.287 -4.802 -9.346 1.00 0.00 C ATOM 1674 CD1 ILE A 109 12.464 -3.402 -6.527 1.00 0.00 C ATOM 0 H ILE A 109 12.841 -7.015 -6.345 1.00 0.00 H new ATOM 0 HA ILE A 109 10.503 -6.780 -8.104 1.00 0.00 H new ATOM 0 HB ILE A 109 13.282 -5.717 -7.662 1.00 0.00 H new ATOM 0 HG12 ILE A 109 10.730 -4.032 -7.621 1.00 0.00 H new ATOM 0 HG13 ILE A 109 11.110 -5.041 -6.240 1.00 0.00 H new ATOM 0 HG21 ILE A 109 12.785 -3.836 -9.257 1.00 0.00 H new ATOM 0 HG22 ILE A 109 12.824 -5.422 -10.064 1.00 0.00 H new ATOM 0 HG23 ILE A 109 11.264 -4.652 -9.690 1.00 0.00 H new ATOM 0 HD11 ILE A 109 11.889 -2.737 -5.883 1.00 0.00 H new ATOM 0 HD12 ILE A 109 13.271 -3.856 -5.952 1.00 0.00 H new ATOM 0 HD13 ILE A 109 12.885 -2.831 -7.355 1.00 0.00 H new ATOM 1686 N ILE A 110 11.146 -7.582 -10.257 1.00 0.00 N ATOM 1687 CA ILE A 110 11.360 -8.306 -11.511 1.00 0.00 C ATOM 1688 C ILE A 110 11.061 -7.330 -12.653 1.00 0.00 C ATOM 1689 O ILE A 110 10.013 -6.676 -12.690 1.00 0.00 O ATOM 1690 CB ILE A 110 10.497 -9.581 -11.621 1.00 0.00 C ATOM 1691 CG1 ILE A 110 8.982 -9.360 -11.434 1.00 0.00 C ATOM 1692 CG2 ILE A 110 11.015 -10.655 -10.656 1.00 0.00 C ATOM 1693 CD1 ILE A 110 8.157 -10.589 -11.827 1.00 0.00 C ATOM 0 H ILE A 110 10.332 -6.968 -10.257 1.00 0.00 H new ATOM 0 HA ILE A 110 12.391 -8.656 -11.557 1.00 0.00 H new ATOM 0 HB ILE A 110 10.604 -9.919 -12.652 1.00 0.00 H new ATOM 0 HG12 ILE A 110 8.781 -9.109 -10.393 1.00 0.00 H new ATOM 0 HG13 ILE A 110 8.666 -8.507 -12.034 1.00 0.00 H new ATOM 0 HG21 ILE A 110 10.398 -11.550 -10.742 1.00 0.00 H new ATOM 0 HG22 ILE A 110 12.047 -10.900 -10.905 1.00 0.00 H new ATOM 0 HG23 ILE A 110 10.968 -10.279 -9.634 1.00 0.00 H new ATOM 0 HD11 ILE A 110 7.098 -10.380 -11.676 1.00 0.00 H new ATOM 0 HD12 ILE A 110 8.334 -10.826 -12.876 1.00 0.00 H new ATOM 0 HD13 ILE A 110 8.451 -11.437 -11.209 1.00 0.00 H new ATOM 1705 N ASN A 111 12.005 -7.234 -13.587 1.00 0.00 N ATOM 1706 CA ASN A 111 11.837 -6.316 -14.722 1.00 0.00 C ATOM 1707 C ASN A 111 11.537 -7.081 -16.008 1.00 0.00 C ATOM 1708 O ASN A 111 12.355 -7.271 -16.910 1.00 0.00 O ATOM 1709 CB ASN A 111 13.004 -5.339 -14.843 1.00 0.00 C ATOM 1710 CG ASN A 111 14.398 -5.969 -14.891 1.00 0.00 C ATOM 1711 OD1 ASN A 111 14.855 -6.450 -15.928 1.00 0.00 O ATOM 1712 ND2 ASN A 111 15.097 -5.968 -13.769 1.00 0.00 N ATOM 0 H ASN A 111 12.876 -7.765 -13.587 1.00 0.00 H new ATOM 0 HA ASN A 111 10.963 -5.693 -14.530 1.00 0.00 H new ATOM 0 HB2 ASN A 111 12.863 -4.744 -15.746 1.00 0.00 H new ATOM 0 HB3 ASN A 111 12.966 -4.651 -13.999 1.00 0.00 H new ATOM 0 HD21 ASN A 111 16.034 -6.371 -13.751 1.00 0.00 H new ATOM 0 HD22 ASN A 111 14.699 -5.564 -12.921 1.00 0.00 H new ATOM 1719 N GLU A 112 10.275 -7.455 -16.060 1.00 0.00 N ATOM 1720 CA GLU A 112 9.643 -7.950 -17.276 1.00 0.00 C ATOM 1721 C GLU A 112 8.984 -6.740 -17.971 1.00 0.00 C ATOM 1722 O GLU A 112 8.757 -5.722 -17.310 1.00 0.00 O ATOM 1723 CB GLU A 112 8.627 -8.957 -16.715 1.00 0.00 C ATOM 1724 CG GLU A 112 7.726 -9.552 -17.784 1.00 0.00 C ATOM 1725 CD GLU A 112 6.775 -10.593 -17.211 1.00 0.00 C ATOM 1726 OE1 GLU A 112 5.666 -10.220 -16.774 1.00 0.00 O ATOM 1727 OE2 GLU A 112 7.132 -11.791 -17.195 1.00 0.00 O ATOM 0 H GLU A 112 9.650 -7.425 -15.255 1.00 0.00 H new ATOM 0 HA GLU A 112 10.292 -8.414 -18.019 1.00 0.00 H new ATOM 0 HB2 GLU A 112 9.162 -9.761 -16.210 1.00 0.00 H new ATOM 0 HB3 GLU A 112 8.012 -8.463 -15.963 1.00 0.00 H new ATOM 0 HG2 GLU A 112 7.151 -8.757 -18.258 1.00 0.00 H new ATOM 0 HG3 GLU A 112 8.338 -10.009 -18.562 1.00 0.00 H new ATOM 1734 N PRO A 113 8.622 -6.779 -19.263 1.00 0.00 N ATOM 1735 CA PRO A 113 7.980 -5.618 -19.912 1.00 0.00 C ATOM 1736 C PRO A 113 6.693 -5.032 -19.291 1.00 0.00 C ATOM 1737 O PRO A 113 6.242 -3.956 -19.685 1.00 0.00 O ATOM 1738 CB PRO A 113 7.789 -6.115 -21.343 1.00 0.00 C ATOM 1739 CG PRO A 113 8.974 -7.055 -21.563 1.00 0.00 C ATOM 1740 CD PRO A 113 9.178 -7.752 -20.215 1.00 0.00 C ATOM 0 HA PRO A 113 8.611 -4.736 -19.797 1.00 0.00 H new ATOM 0 HB2 PRO A 113 6.838 -6.635 -21.463 1.00 0.00 H new ATOM 0 HB3 PRO A 113 7.794 -5.291 -22.057 1.00 0.00 H new ATOM 0 HG2 PRO A 113 8.765 -7.776 -22.353 1.00 0.00 H new ATOM 0 HG3 PRO A 113 9.866 -6.504 -21.862 1.00 0.00 H new ATOM 0 HD2 PRO A 113 8.655 -8.707 -20.170 1.00 0.00 H new ATOM 0 HD3 PRO A 113 10.231 -7.955 -20.019 1.00 0.00 H new ATOM 1748 N ASP A 114 6.165 -5.691 -18.269 1.00 0.00 N ATOM 1749 CA ASP A 114 5.305 -5.016 -17.290 1.00 0.00 C ATOM 1750 C ASP A 114 6.101 -5.016 -15.977 1.00 0.00 C ATOM 1751 O ASP A 114 6.351 -6.073 -15.393 1.00 0.00 O ATOM 1752 CB ASP A 114 3.989 -5.779 -17.128 1.00 0.00 C ATOM 1753 CG ASP A 114 3.084 -5.653 -18.349 1.00 0.00 C ATOM 1754 OD1 ASP A 114 2.330 -4.659 -18.442 1.00 0.00 O ATOM 1755 OD2 ASP A 114 3.124 -6.545 -19.225 1.00 0.00 O ATOM 0 H ASP A 114 6.312 -6.685 -18.091 1.00 0.00 H new ATOM 0 HA ASP A 114 5.047 -4.003 -17.600 1.00 0.00 H new ATOM 0 HB2 ASP A 114 4.204 -6.832 -16.947 1.00 0.00 H new ATOM 0 HB3 ASP A 114 3.462 -5.405 -16.250 1.00 0.00 H new ATOM 1760 N TYR A 115 6.563 -3.845 -15.541 1.00 0.00 N ATOM 1761 CA TYR A 115 7.530 -3.791 -14.438 1.00 0.00 C ATOM 1762 C TYR A 115 6.818 -3.927 -13.093 1.00 0.00 C ATOM 1763 O TYR A 115 5.950 -3.104 -12.785 1.00 0.00 O ATOM 1764 CB TYR A 115 8.288 -2.461 -14.507 1.00 0.00 C ATOM 1765 CG TYR A 115 9.211 -2.239 -13.318 1.00 0.00 C ATOM 1766 CD1 TYR A 115 10.108 -3.196 -12.952 1.00 0.00 C ATOM 1767 CD2 TYR A 115 9.087 -1.111 -12.570 1.00 0.00 C ATOM 1768 CE1 TYR A 115 10.930 -2.988 -11.894 1.00 0.00 C ATOM 1769 CE2 TYR A 115 9.908 -0.904 -11.506 1.00 0.00 C ATOM 1770 CZ TYR A 115 10.836 -1.838 -11.175 1.00 0.00 C ATOM 1771 OH TYR A 115 11.638 -1.647 -10.081 1.00 0.00 O ATOM 0 H TYR A 115 6.293 -2.938 -15.922 1.00 0.00 H new ATOM 0 HA TYR A 115 8.233 -4.619 -14.532 1.00 0.00 H new ATOM 0 HB2 TYR A 115 8.874 -2.431 -15.425 1.00 0.00 H new ATOM 0 HB3 TYR A 115 7.570 -1.643 -14.560 1.00 0.00 H new ATOM 0 HD1 TYR A 115 10.165 -4.122 -13.505 1.00 0.00 H new ATOM 0 HD2 TYR A 115 8.335 -0.378 -12.821 1.00 0.00 H new ATOM 0 HE1 TYR A 115 11.660 -3.736 -11.622 1.00 0.00 H new ATOM 0 HE2 TYR A 115 9.822 0.002 -10.925 1.00 0.00 H new ATOM 0 HH TYR A 115 11.090 -1.366 -9.319 1.00 0.00 H new ATOM 1781 N CYS A 116 7.089 -5.016 -12.359 1.00 0.00 N ATOM 1782 CA CYS A 116 6.578 -5.143 -10.983 1.00 0.00 C ATOM 1783 C CYS A 116 7.507 -5.909 -10.040 1.00 0.00 C ATOM 1784 O CYS A 116 8.703 -6.097 -10.262 1.00 0.00 O ATOM 1785 CB CYS A 116 5.211 -5.847 -11.015 1.00 0.00 C ATOM 1786 SG CYS A 116 5.371 -7.623 -11.342 1.00 0.00 S ATOM 0 H CYS A 116 7.646 -5.806 -12.684 1.00 0.00 H new ATOM 0 HA CYS A 116 6.502 -4.129 -10.590 1.00 0.00 H new ATOM 0 HB2 CYS A 116 4.704 -5.698 -10.062 1.00 0.00 H new ATOM 0 HB3 CYS A 116 4.586 -5.391 -11.783 1.00 0.00 H new ATOM 0 HG CYS A 116 4.294 -8.235 -10.949 1.00 0.00 H new ATOM 1792 N TRP A 117 6.872 -6.285 -8.928 1.00 0.00 N ATOM 1793 CA TRP A 117 7.547 -6.819 -7.748 1.00 0.00 C ATOM 1794 C TRP A 117 6.699 -7.980 -7.269 1.00 0.00 C ATOM 1795 O TRP A 117 5.497 -7.807 -7.066 1.00 0.00 O ATOM 1796 CB TRP A 117 7.600 -5.825 -6.581 1.00 0.00 C ATOM 1797 CG TRP A 117 7.845 -4.383 -6.927 1.00 0.00 C ATOM 1798 CD1 TRP A 117 8.519 -3.880 -8.023 1.00 0.00 C ATOM 1799 CD2 TRP A 117 7.543 -3.312 -6.154 1.00 0.00 C ATOM 1800 NE1 TRP A 117 8.663 -2.501 -7.950 1.00 0.00 N ATOM 1801 CE2 TRP A 117 8.063 -2.188 -6.741 1.00 0.00 C ATOM 1802 CE3 TRP A 117 6.936 -3.272 -4.949 1.00 0.00 C ATOM 1803 CZ2 TRP A 117 8.127 -1.030 -6.030 1.00 0.00 C ATOM 1804 CZ3 TRP A 117 6.898 -2.092 -4.293 1.00 0.00 C ATOM 1805 CH2 TRP A 117 7.568 -1.013 -4.781 1.00 0.00 C ATOM 0 H TRP A 117 5.859 -6.225 -8.823 1.00 0.00 H new ATOM 0 HA TRP A 117 8.569 -7.075 -8.027 1.00 0.00 H new ATOM 0 HB2 TRP A 117 6.657 -5.888 -6.038 1.00 0.00 H new ATOM 0 HB3 TRP A 117 8.384 -6.148 -5.896 1.00 0.00 H new ATOM 0 HD1 TRP A 117 8.889 -4.486 -8.837 1.00 0.00 H new ATOM 0 HE1 TRP A 117 9.103 -1.872 -8.622 1.00 0.00 H new ATOM 0 HE3 TRP A 117 6.493 -4.159 -4.521 1.00 0.00 H new ATOM 0 HZ2 TRP A 117 8.604 -0.151 -6.439 1.00 0.00 H new ATOM 0 HZ3 TRP A 117 6.333 -2.004 -3.377 1.00 0.00 H new ATOM 0 HH2 TRP A 117 7.660 -0.126 -4.171 1.00 0.00 H new ATOM 1816 N ILE A 118 7.286 -9.137 -7.022 1.00 0.00 N ATOM 1817 CA ILE A 118 6.523 -10.182 -6.342 1.00 0.00 C ATOM 1818 C ILE A 118 7.140 -10.371 -4.949 1.00 0.00 C ATOM 1819 O ILE A 118 8.353 -10.344 -4.744 1.00 0.00 O ATOM 1820 CB ILE A 118 6.366 -11.419 -7.248 1.00 0.00 C ATOM 1821 CG1 ILE A 118 6.368 -12.748 -6.501 1.00 0.00 C ATOM 1822 CG2 ILE A 118 7.384 -11.548 -8.371 1.00 0.00 C ATOM 1823 CD1 ILE A 118 5.016 -13.115 -5.921 1.00 0.00 C ATOM 0 H ILE A 118 8.247 -9.377 -7.267 1.00 0.00 H new ATOM 0 HA ILE A 118 5.482 -9.915 -6.158 1.00 0.00 H new ATOM 0 HB ILE A 118 5.384 -11.223 -7.680 1.00 0.00 H new ATOM 0 HG12 ILE A 118 6.690 -13.537 -7.180 1.00 0.00 H new ATOM 0 HG13 ILE A 118 7.100 -12.702 -5.695 1.00 0.00 H new ATOM 0 HG21 ILE A 118 7.180 -12.452 -8.945 1.00 0.00 H new ATOM 0 HG22 ILE A 118 7.315 -10.679 -9.026 1.00 0.00 H new ATOM 0 HG23 ILE A 118 8.387 -11.605 -7.948 1.00 0.00 H new ATOM 0 HD11 ILE A 118 5.090 -14.071 -5.403 1.00 0.00 H new ATOM 0 HD12 ILE A 118 4.701 -12.345 -5.217 1.00 0.00 H new ATOM 0 HD13 ILE A 118 4.284 -13.193 -6.725 1.00 0.00 H new ATOM 1835 N LYS A 119 6.250 -10.645 -4.005 1.00 0.00 N ATOM 1836 CA LYS A 119 6.649 -10.805 -2.601 1.00 0.00 C ATOM 1837 C LYS A 119 7.229 -12.206 -2.392 1.00 0.00 C ATOM 1838 O LYS A 119 6.657 -13.211 -2.817 1.00 0.00 O ATOM 1839 CB LYS A 119 5.409 -10.573 -1.721 1.00 0.00 C ATOM 1840 CG LYS A 119 5.720 -10.616 -0.221 1.00 0.00 C ATOM 1841 CD LYS A 119 4.459 -10.364 0.611 1.00 0.00 C ATOM 1842 CE LYS A 119 4.772 -10.415 2.107 1.00 0.00 C ATOM 1843 NZ LYS A 119 3.551 -10.182 2.893 1.00 0.00 N ATOM 0 H LYS A 119 5.251 -10.762 -4.177 1.00 0.00 H new ATOM 0 HA LYS A 119 7.419 -10.083 -2.328 1.00 0.00 H new ATOM 0 HB2 LYS A 119 4.972 -9.606 -1.968 1.00 0.00 H new ATOM 0 HB3 LYS A 119 4.660 -11.330 -1.953 1.00 0.00 H new ATOM 0 HG2 LYS A 119 6.142 -11.587 0.038 1.00 0.00 H new ATOM 0 HG3 LYS A 119 6.474 -9.866 0.019 1.00 0.00 H new ATOM 0 HD2 LYS A 119 4.039 -9.391 0.356 1.00 0.00 H new ATOM 0 HD3 LYS A 119 3.703 -11.111 0.368 1.00 0.00 H new ATOM 0 HE2 LYS A 119 5.198 -11.385 2.363 1.00 0.00 H new ATOM 0 HE3 LYS A 119 5.521 -9.663 2.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 3.800 -10.067 3.896 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 3.079 -9.320 2.553 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 2.909 -10.993 2.786 1.00 0.00 H new ATOM 1857 N MET A 120 8.353 -12.254 -1.683 1.00 0.00 N ATOM 1858 CA MET A 120 8.905 -13.538 -1.227 1.00 0.00 C ATOM 1859 C MET A 120 8.891 -13.642 0.299 1.00 0.00 C ATOM 1860 O MET A 120 8.213 -14.491 0.880 1.00 0.00 O ATOM 1861 CB MET A 120 10.318 -13.750 -1.800 1.00 0.00 C ATOM 1862 CG MET A 120 10.340 -13.838 -3.327 1.00 0.00 C ATOM 1863 SD MET A 120 9.313 -15.214 -3.878 1.00 0.00 S ATOM 1864 CE MET A 120 9.540 -15.057 -5.658 1.00 0.00 C ATOM 0 H MET A 120 8.897 -11.435 -1.412 1.00 0.00 H new ATOM 0 HA MET A 120 8.267 -14.337 -1.604 1.00 0.00 H new ATOM 0 HB2 MET A 120 10.960 -12.929 -1.480 1.00 0.00 H new ATOM 0 HB3 MET A 120 10.739 -14.665 -1.383 1.00 0.00 H new ATOM 0 HG2 MET A 120 9.976 -12.906 -3.759 1.00 0.00 H new ATOM 0 HG3 MET A 120 11.363 -13.974 -3.677 1.00 0.00 H new ATOM 0 HE1 MET A 120 8.971 -15.835 -6.167 1.00 0.00 H new ATOM 0 HE2 MET A 120 9.189 -14.078 -5.985 1.00 0.00 H new ATOM 0 HE3 MET A 120 10.597 -15.163 -5.901 1.00 0.00 H new TER 1874 MET A 120