USER MOD reduce.3.24.130724 H: found=0, std=0, add=706, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 704 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 67 GLN : amide:sc= -3.46 K(o=-5.9,f=-11!) USER MOD Set 1.2: A 75 HIS : no HE2:sc= -2.4 K(o=-5.9,f=-18!) USER MOD Set 2.1: A 7 TYR OH : rot -24:sc= -4.42! USER MOD Set 2.2: A 65 MET CE :methyl -107:sc= -0.472 (180deg=-0.523) USER MOD Single : A 1 MET CE :methyl -169:sc= 0 (180deg=-0.151) USER MOD Single : A 1 MET N :NH3+ -159:sc= -4.14! (180deg=-5.77!) USER MOD Single : A 3 LYS NZ :NH3+ 161:sc= 0 (180deg=-0.322) USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 78:sc= 1.19 USER MOD Single : A 10 ASN : amide:sc= 0 X(o=0,f=-0.46) USER MOD Single : A 12 HIS : no HD1:sc= -1.37 K(o=-1.4,f=-0.13) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 ASN : amide:sc= 0.134 X(o=0.13,f=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 77:sc= 0.282 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= 0.0612 X(o=0.061,f=-0.38) USER MOD Single : A 35 ASN : amide:sc= -1.06 K(o=-1.1,f=-2!) USER MOD Single : A 37 MET CE :methyl -177:sc= -1.71 (180deg=-1.74) USER MOD Single : A 40 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0135) USER MOD Single : A 47 LYS NZ :NH3+ -171:sc= 0.989 (180deg=0.916) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 THR OG1 : rot 180:sc= -0.14 USER MOD Single : A 60 GLN : amide:sc= -4.84! C(o=-4.8!,f=-7.3!) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0.0285 USER MOD Single : A 74 SER OG : rot 180:sc=-0.00972 USER MOD Single : A 81 GLN : amide:sc= -0.12 K(o=-0.12,f=-3.3!) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -11.877 -0.434 -4.480 1.00 0.00 N ATOM 2 CA MET A 1 -10.485 -0.861 -4.781 1.00 0.00 C ATOM 3 C MET A 1 -9.449 -0.073 -4.003 1.00 0.00 C ATOM 4 O MET A 1 -9.183 1.090 -4.295 1.00 0.00 O ATOM 5 CB MET A 1 -10.236 -0.697 -6.274 1.00 0.00 C ATOM 6 CG MET A 1 -9.005 -1.423 -6.783 1.00 0.00 C ATOM 7 SD MET A 1 -8.721 -1.148 -8.542 1.00 0.00 S ATOM 8 CE MET A 1 -10.039 -2.128 -9.255 1.00 0.00 C ATOM 0 H1 MET A 1 -12.537 -1.196 -4.736 1.00 0.00 H new ATOM 0 H2 MET A 1 -11.965 -0.227 -3.465 1.00 0.00 H new ATOM 0 H3 MET A 1 -12.104 0.420 -5.028 1.00 0.00 H new ATOM 0 HA MET A 1 -10.383 -1.903 -4.479 1.00 0.00 H new ATOM 0 HB2 MET A 1 -11.108 -1.059 -6.818 1.00 0.00 H new ATOM 0 HB3 MET A 1 -10.137 0.365 -6.500 1.00 0.00 H new ATOM 0 HG2 MET A 1 -8.132 -1.090 -6.221 1.00 0.00 H new ATOM 0 HG3 MET A 1 -9.115 -2.492 -6.598 1.00 0.00 H new ATOM 0 HE1 MET A 1 -9.883 -2.220 -10.330 1.00 0.00 H new ATOM 0 HE2 MET A 1 -10.041 -3.120 -8.802 1.00 0.00 H new ATOM 0 HE3 MET A 1 -10.996 -1.642 -9.068 1.00 0.00 H new ATOM 20 N PHE A 2 -8.837 -0.730 -3.032 1.00 0.00 N ATOM 21 CA PHE A 2 -7.808 -0.100 -2.228 1.00 0.00 C ATOM 22 C PHE A 2 -6.503 -0.031 -3.006 1.00 0.00 C ATOM 23 O PHE A 2 -6.184 -0.929 -3.785 1.00 0.00 O ATOM 24 CB PHE A 2 -7.614 -0.865 -0.923 1.00 0.00 C ATOM 25 CG PHE A 2 -8.794 -0.758 -0.004 1.00 0.00 C ATOM 26 CD1 PHE A 2 -9.867 -1.625 -0.130 1.00 0.00 C ATOM 27 CD2 PHE A 2 -8.836 0.218 0.978 1.00 0.00 C ATOM 28 CE1 PHE A 2 -10.960 -1.523 0.707 1.00 0.00 C ATOM 29 CE2 PHE A 2 -9.926 0.326 1.819 1.00 0.00 C ATOM 30 CZ PHE A 2 -10.991 -0.546 1.683 1.00 0.00 C ATOM 0 H PHE A 2 -9.036 -1.699 -2.783 1.00 0.00 H new ATOM 0 HA PHE A 2 -8.122 0.916 -1.988 1.00 0.00 H new ATOM 0 HB2 PHE A 2 -7.429 -1.915 -1.147 1.00 0.00 H new ATOM 0 HB3 PHE A 2 -6.728 -0.486 -0.414 1.00 0.00 H new ATOM 0 HD1 PHE A 2 -9.848 -2.390 -0.892 1.00 0.00 H new ATOM 0 HD2 PHE A 2 -8.007 0.902 1.087 1.00 0.00 H new ATOM 0 HE1 PHE A 2 -11.790 -2.206 0.599 1.00 0.00 H new ATOM 0 HE2 PHE A 2 -9.947 1.090 2.582 1.00 0.00 H new ATOM 0 HZ PHE A 2 -11.845 -0.463 2.339 1.00 0.00 H new ATOM 40 N LYS A 3 -5.761 1.045 -2.804 1.00 0.00 N ATOM 41 CA LYS A 3 -4.498 1.238 -3.498 1.00 0.00 C ATOM 42 C LYS A 3 -3.327 1.020 -2.552 1.00 0.00 C ATOM 43 O LYS A 3 -3.209 1.693 -1.532 1.00 0.00 O ATOM 44 CB LYS A 3 -4.436 2.646 -4.092 1.00 0.00 C ATOM 45 CG LYS A 3 -5.081 2.757 -5.463 1.00 0.00 C ATOM 46 CD LYS A 3 -6.589 2.924 -5.355 1.00 0.00 C ATOM 47 CE LYS A 3 -7.151 3.706 -6.532 1.00 0.00 C ATOM 48 NZ LYS A 3 -6.566 3.259 -7.828 1.00 0.00 N ATOM 0 H LYS A 3 -6.011 1.799 -2.164 1.00 0.00 H new ATOM 0 HA LYS A 3 -4.432 0.507 -4.304 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -4.928 3.340 -3.411 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -3.393 2.955 -4.164 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -4.657 3.606 -5.999 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -4.853 1.866 -6.047 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -7.062 1.943 -5.310 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -6.833 3.439 -4.426 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -8.234 3.587 -6.563 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -6.951 4.768 -6.391 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -7.179 3.566 -8.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -5.621 3.677 -7.945 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -6.489 2.222 -7.835 1.00 0.00 H new ATOM 62 N VAL A 4 -2.462 0.071 -2.886 1.00 0.00 N ATOM 63 CA VAL A 4 -1.307 -0.217 -2.045 1.00 0.00 C ATOM 64 C VAL A 4 -0.010 0.263 -2.679 1.00 0.00 C ATOM 65 O VAL A 4 0.224 0.079 -3.873 1.00 0.00 O ATOM 66 CB VAL A 4 -1.170 -1.721 -1.728 1.00 0.00 C ATOM 67 CG1 VAL A 4 0.202 -2.025 -1.139 1.00 0.00 C ATOM 68 CG2 VAL A 4 -2.253 -2.169 -0.770 1.00 0.00 C ATOM 0 H VAL A 4 -2.536 -0.507 -3.723 1.00 0.00 H new ATOM 0 HA VAL A 4 -1.482 0.327 -1.117 1.00 0.00 H new ATOM 0 HB VAL A 4 -1.280 -2.271 -2.663 1.00 0.00 H new ATOM 0 HG11 VAL A 4 0.277 -3.091 -0.923 1.00 0.00 H new ATOM 0 HG12 VAL A 4 0.975 -1.744 -1.854 1.00 0.00 H new ATOM 0 HG13 VAL A 4 0.336 -1.458 -0.218 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -2.137 -3.232 -0.561 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -2.172 -1.605 0.160 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -3.231 -1.992 -1.218 1.00 0.00 H new ATOM 78 N TYR A 5 0.841 0.844 -1.847 1.00 0.00 N ATOM 79 CA TYR A 5 2.140 1.323 -2.281 1.00 0.00 C ATOM 80 C TYR A 5 3.219 0.486 -1.614 1.00 0.00 C ATOM 81 O TYR A 5 3.543 0.700 -0.448 1.00 0.00 O ATOM 82 CB TYR A 5 2.331 2.797 -1.911 1.00 0.00 C ATOM 83 CG TYR A 5 1.537 3.765 -2.762 1.00 0.00 C ATOM 84 CD1 TYR A 5 0.180 3.574 -2.987 1.00 0.00 C ATOM 85 CD2 TYR A 5 2.146 4.878 -3.334 1.00 0.00 C ATOM 86 CE1 TYR A 5 -0.547 4.464 -3.755 1.00 0.00 C ATOM 87 CE2 TYR A 5 1.423 5.771 -4.102 1.00 0.00 C ATOM 88 CZ TYR A 5 0.079 5.560 -4.309 1.00 0.00 C ATOM 89 OH TYR A 5 -0.645 6.446 -5.074 1.00 0.00 O ATOM 0 H TYR A 5 0.650 0.995 -0.857 1.00 0.00 H new ATOM 0 HA TYR A 5 2.207 1.233 -3.365 1.00 0.00 H new ATOM 0 HB2 TYR A 5 2.050 2.936 -0.867 1.00 0.00 H new ATOM 0 HB3 TYR A 5 3.389 3.045 -1.992 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -0.315 2.717 -2.555 1.00 0.00 H new ATOM 0 HD2 TYR A 5 3.201 5.047 -3.175 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -1.602 4.301 -3.920 1.00 0.00 H new ATOM 0 HE2 TYR A 5 1.911 6.631 -4.538 1.00 0.00 H new ATOM 0 HH TYR A 5 -0.056 7.163 -5.389 1.00 0.00 H new ATOM 99 N GLY A 6 3.755 -0.480 -2.341 1.00 0.00 N ATOM 100 CA GLY A 6 4.775 -1.337 -1.783 1.00 0.00 C ATOM 101 C GLY A 6 5.598 -2.019 -2.851 1.00 0.00 C ATOM 102 O GLY A 6 5.953 -1.404 -3.858 1.00 0.00 O ATOM 0 H GLY A 6 3.501 -0.685 -3.307 1.00 0.00 H new ATOM 0 HA2 GLY A 6 5.431 -0.748 -1.143 1.00 0.00 H new ATOM 0 HA3 GLY A 6 4.307 -2.092 -1.151 1.00 0.00 H new ATOM 106 N TYR A 7 5.913 -3.286 -2.632 1.00 0.00 N ATOM 107 CA TYR A 7 6.708 -4.045 -3.573 1.00 0.00 C ATOM 108 C TYR A 7 5.995 -5.326 -3.992 1.00 0.00 C ATOM 109 O TYR A 7 5.244 -5.913 -3.213 1.00 0.00 O ATOM 110 CB TYR A 7 8.047 -4.364 -2.930 1.00 0.00 C ATOM 111 CG TYR A 7 8.777 -3.123 -2.488 1.00 0.00 C ATOM 112 CD1 TYR A 7 9.463 -2.335 -3.402 1.00 0.00 C ATOM 113 CD2 TYR A 7 8.756 -2.722 -1.159 1.00 0.00 C ATOM 114 CE1 TYR A 7 10.108 -1.184 -3.001 1.00 0.00 C ATOM 115 CE2 TYR A 7 9.402 -1.572 -0.752 1.00 0.00 C ATOM 116 CZ TYR A 7 10.076 -0.807 -1.676 1.00 0.00 C ATOM 117 OH TYR A 7 10.719 0.341 -1.275 1.00 0.00 O ATOM 0 H TYR A 7 5.626 -3.809 -1.805 1.00 0.00 H new ATOM 0 HA TYR A 7 6.861 -3.452 -4.475 1.00 0.00 H new ATOM 0 HB2 TYR A 7 7.889 -5.016 -2.071 1.00 0.00 H new ATOM 0 HB3 TYR A 7 8.666 -4.915 -3.638 1.00 0.00 H new ATOM 0 HD1 TYR A 7 9.492 -2.627 -4.441 1.00 0.00 H new ATOM 0 HD2 TYR A 7 8.226 -3.319 -0.432 1.00 0.00 H new ATOM 0 HE1 TYR A 7 10.637 -0.580 -3.723 1.00 0.00 H new ATOM 0 HE2 TYR A 7 9.379 -1.274 0.286 1.00 0.00 H new ATOM 0 HH TYR A 7 11.434 0.554 -1.910 1.00 0.00 H new ATOM 127 N ASP A 8 6.231 -5.756 -5.227 1.00 0.00 N ATOM 128 CA ASP A 8 5.607 -6.969 -5.738 1.00 0.00 C ATOM 129 C ASP A 8 6.084 -8.189 -4.960 1.00 0.00 C ATOM 130 O ASP A 8 5.353 -8.731 -4.132 1.00 0.00 O ATOM 131 CB ASP A 8 5.913 -7.139 -7.228 1.00 0.00 C ATOM 132 CG ASP A 8 5.255 -6.065 -8.071 1.00 0.00 C ATOM 133 OD1 ASP A 8 4.028 -5.873 -7.934 1.00 0.00 O ATOM 134 OD2 ASP A 8 5.966 -5.415 -8.864 1.00 0.00 O ATOM 0 H ASP A 8 6.847 -5.284 -5.889 1.00 0.00 H new ATOM 0 HA ASP A 8 4.528 -6.878 -5.610 1.00 0.00 H new ATOM 0 HB2 ASP A 8 6.992 -7.110 -7.382 1.00 0.00 H new ATOM 0 HB3 ASP A 8 5.570 -8.119 -7.559 1.00 0.00 H new ATOM 139 N SER A 9 7.317 -8.618 -5.232 1.00 0.00 N ATOM 140 CA SER A 9 7.899 -9.778 -4.555 1.00 0.00 C ATOM 141 C SER A 9 9.167 -10.243 -5.262 1.00 0.00 C ATOM 142 O SER A 9 10.101 -10.735 -4.628 1.00 0.00 O ATOM 143 CB SER A 9 6.894 -10.930 -4.493 1.00 0.00 C ATOM 144 OG SER A 9 6.178 -10.919 -3.270 1.00 0.00 O ATOM 0 H SER A 9 7.933 -8.179 -5.917 1.00 0.00 H new ATOM 0 HA SER A 9 8.154 -9.474 -3.540 1.00 0.00 H new ATOM 0 HB2 SER A 9 6.196 -10.853 -5.327 1.00 0.00 H new ATOM 0 HB3 SER A 9 7.418 -11.880 -4.602 1.00 0.00 H new ATOM 0 HG SER A 9 5.487 -10.225 -3.302 1.00 0.00 H new ATOM 150 N ASN A 10 9.194 -10.083 -6.581 1.00 0.00 N ATOM 151 CA ASN A 10 10.347 -10.485 -7.377 1.00 0.00 C ATOM 152 C ASN A 10 11.420 -9.405 -7.360 1.00 0.00 C ATOM 153 O ASN A 10 12.600 -9.686 -7.566 1.00 0.00 O ATOM 154 CB ASN A 10 9.922 -10.775 -8.814 1.00 0.00 C ATOM 155 CG ASN A 10 9.531 -12.225 -9.013 1.00 0.00 C ATOM 156 OD1 ASN A 10 9.100 -12.895 -8.075 1.00 0.00 O ATOM 157 ND2 ASN A 10 9.679 -12.719 -10.237 1.00 0.00 N ATOM 0 H ASN A 10 8.430 -9.677 -7.121 1.00 0.00 H new ATOM 0 HA ASN A 10 10.763 -11.392 -6.939 1.00 0.00 H new ATOM 0 HB2 ASN A 10 9.081 -10.134 -9.079 1.00 0.00 H new ATOM 0 HB3 ASN A 10 10.739 -10.525 -9.490 1.00 0.00 H new ATOM 0 HD21 ASN A 10 9.432 -13.690 -10.429 1.00 0.00 H new ATOM 0 HD22 ASN A 10 10.040 -12.128 -10.985 1.00 0.00 H new ATOM 164 N ILE A 11 11.001 -8.171 -7.102 1.00 0.00 N ATOM 165 CA ILE A 11 11.928 -7.051 -7.048 1.00 0.00 C ATOM 166 C ILE A 11 12.394 -6.815 -5.621 1.00 0.00 C ATOM 167 O ILE A 11 13.584 -6.627 -5.365 1.00 0.00 O ATOM 168 CB ILE A 11 11.293 -5.744 -7.559 1.00 0.00 C ATOM 169 CG1 ILE A 11 10.596 -5.953 -8.902 1.00 0.00 C ATOM 170 CG2 ILE A 11 12.358 -4.671 -7.683 1.00 0.00 C ATOM 171 CD1 ILE A 11 9.269 -6.671 -8.792 1.00 0.00 C ATOM 0 H ILE A 11 10.027 -7.923 -6.928 1.00 0.00 H new ATOM 0 HA ILE A 11 12.767 -7.315 -7.692 1.00 0.00 H new ATOM 0 HB ILE A 11 10.540 -5.426 -6.839 1.00 0.00 H new ATOM 0 HG12 ILE A 11 10.437 -4.983 -9.374 1.00 0.00 H new ATOM 0 HG13 ILE A 11 11.254 -6.522 -9.558 1.00 0.00 H new ATOM 0 HG21 ILE A 11 11.904 -3.748 -8.045 1.00 0.00 H new ATOM 0 HG22 ILE A 11 12.812 -4.494 -6.708 1.00 0.00 H new ATOM 0 HG23 ILE A 11 13.124 -4.998 -8.386 1.00 0.00 H new ATOM 0 HD11 ILE A 11 8.833 -6.784 -9.785 1.00 0.00 H new ATOM 0 HD12 ILE A 11 9.423 -7.655 -8.350 1.00 0.00 H new ATOM 0 HD13 ILE A 11 8.593 -6.092 -8.162 1.00 0.00 H new ATOM 183 N HIS A 12 11.440 -6.821 -4.698 1.00 0.00 N ATOM 184 CA HIS A 12 11.730 -6.601 -3.297 1.00 0.00 C ATOM 185 C HIS A 12 10.751 -7.409 -2.456 1.00 0.00 C ATOM 186 O HIS A 12 9.647 -7.717 -2.907 1.00 0.00 O ATOM 187 CB HIS A 12 11.617 -5.112 -2.981 1.00 0.00 C ATOM 188 CG HIS A 12 12.411 -4.666 -1.794 1.00 0.00 C ATOM 189 ND1 HIS A 12 13.547 -5.302 -1.349 1.00 0.00 N ATOM 190 CD2 HIS A 12 12.237 -3.596 -0.978 1.00 0.00 C ATOM 191 CE1 HIS A 12 14.019 -4.618 -0.300 1.00 0.00 C ATOM 192 NE2 HIS A 12 13.260 -3.572 -0.032 1.00 0.00 N ATOM 0 H HIS A 12 10.453 -6.978 -4.903 1.00 0.00 H new ATOM 0 HA HIS A 12 12.745 -6.925 -3.066 1.00 0.00 H new ATOM 0 HB2 HIS A 12 11.941 -4.543 -3.853 1.00 0.00 H new ATOM 0 HB3 HIS A 12 10.568 -4.868 -2.813 1.00 0.00 H new ATOM 0 HD2 HIS A 12 11.434 -2.878 -1.050 1.00 0.00 H new ATOM 0 HE1 HIS A 12 14.906 -4.887 0.255 1.00 0.00 H new ATOM 0 HE2 HIS A 12 13.394 -2.888 0.713 1.00 0.00 H new ATOM 200 N LYS A 13 11.157 -7.767 -1.253 1.00 0.00 N ATOM 201 CA LYS A 13 10.302 -8.561 -0.376 1.00 0.00 C ATOM 202 C LYS A 13 9.021 -7.813 -0.027 1.00 0.00 C ATOM 203 O LYS A 13 8.916 -6.607 -0.242 1.00 0.00 O ATOM 204 CB LYS A 13 11.047 -8.955 0.899 1.00 0.00 C ATOM 205 CG LYS A 13 11.469 -7.771 1.750 1.00 0.00 C ATOM 206 CD LYS A 13 12.355 -8.209 2.908 1.00 0.00 C ATOM 207 CE LYS A 13 11.869 -7.636 4.228 1.00 0.00 C ATOM 208 NZ LYS A 13 12.482 -6.309 4.509 1.00 0.00 N ATOM 0 H LYS A 13 12.066 -7.525 -0.858 1.00 0.00 H new ATOM 0 HA LYS A 13 10.030 -9.468 -0.916 1.00 0.00 H new ATOM 0 HB2 LYS A 13 10.410 -9.610 1.494 1.00 0.00 H new ATOM 0 HB3 LYS A 13 11.932 -9.531 0.629 1.00 0.00 H new ATOM 0 HG2 LYS A 13 12.004 -7.049 1.133 1.00 0.00 H new ATOM 0 HG3 LYS A 13 10.584 -7.265 2.137 1.00 0.00 H new ATOM 0 HD2 LYS A 13 12.369 -9.297 2.966 1.00 0.00 H new ATOM 0 HD3 LYS A 13 13.380 -7.887 2.725 1.00 0.00 H new ATOM 0 HE2 LYS A 13 10.784 -7.538 4.205 1.00 0.00 H new ATOM 0 HE3 LYS A 13 12.110 -8.327 5.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 12.127 -5.948 5.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 13.516 -6.407 4.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 12.231 -5.643 3.751 1.00 0.00 H new ATOM 222 N CYS A 14 8.042 -8.543 0.507 1.00 0.00 N ATOM 223 CA CYS A 14 6.762 -7.950 0.882 1.00 0.00 C ATOM 224 C CYS A 14 5.848 -8.977 1.545 1.00 0.00 C ATOM 225 O CYS A 14 4.974 -9.553 0.897 1.00 0.00 O ATOM 226 CB CYS A 14 6.073 -7.364 -0.350 1.00 0.00 C ATOM 227 SG CYS A 14 4.591 -6.379 0.030 1.00 0.00 S ATOM 0 H CYS A 14 8.112 -9.544 0.689 1.00 0.00 H new ATOM 0 HA CYS A 14 6.959 -7.155 1.601 1.00 0.00 H new ATOM 0 HB2 CYS A 14 6.785 -6.738 -0.888 1.00 0.00 H new ATOM 0 HB3 CYS A 14 5.794 -8.178 -1.019 1.00 0.00 H new ATOM 232 N VAL A 15 6.053 -9.198 2.842 1.00 0.00 N ATOM 233 CA VAL A 15 5.249 -10.156 3.596 1.00 0.00 C ATOM 234 C VAL A 15 4.016 -9.504 4.222 1.00 0.00 C ATOM 235 O VAL A 15 3.062 -10.190 4.588 1.00 0.00 O ATOM 236 CB VAL A 15 6.084 -10.819 4.709 1.00 0.00 C ATOM 237 CG1 VAL A 15 7.201 -11.656 4.107 1.00 0.00 C ATOM 238 CG2 VAL A 15 6.650 -9.773 5.661 1.00 0.00 C ATOM 0 H VAL A 15 6.770 -8.726 3.393 1.00 0.00 H new ATOM 0 HA VAL A 15 4.918 -10.911 2.883 1.00 0.00 H new ATOM 0 HB VAL A 15 5.429 -11.476 5.281 1.00 0.00 H new ATOM 0 HG11 VAL A 15 7.781 -12.117 4.906 1.00 0.00 H new ATOM 0 HG12 VAL A 15 6.773 -12.433 3.474 1.00 0.00 H new ATOM 0 HG13 VAL A 15 7.851 -11.018 3.508 1.00 0.00 H new ATOM 0 HG21 VAL A 15 7.235 -10.266 6.437 1.00 0.00 H new ATOM 0 HG22 VAL A 15 7.289 -9.085 5.107 1.00 0.00 H new ATOM 0 HG23 VAL A 15 5.832 -9.219 6.121 1.00 0.00 H new ATOM 248 N TYR A 16 4.043 -8.182 4.349 1.00 0.00 N ATOM 249 CA TYR A 16 2.928 -7.450 4.938 1.00 0.00 C ATOM 250 C TYR A 16 1.761 -7.329 3.963 1.00 0.00 C ATOM 251 O TYR A 16 0.603 -7.234 4.378 1.00 0.00 O ATOM 252 CB TYR A 16 3.386 -6.060 5.381 1.00 0.00 C ATOM 253 CG TYR A 16 3.839 -6.010 6.822 1.00 0.00 C ATOM 254 CD1 TYR A 16 2.918 -5.902 7.854 1.00 0.00 C ATOM 255 CD2 TYR A 16 5.188 -6.074 7.148 1.00 0.00 C ATOM 256 CE1 TYR A 16 3.327 -5.858 9.173 1.00 0.00 C ATOM 257 CE2 TYR A 16 5.606 -6.031 8.465 1.00 0.00 C ATOM 258 CZ TYR A 16 4.671 -5.922 9.473 1.00 0.00 C ATOM 259 OH TYR A 16 5.080 -5.877 10.787 1.00 0.00 O ATOM 0 H TYR A 16 4.824 -7.596 4.052 1.00 0.00 H new ATOM 0 HA TYR A 16 2.583 -8.011 5.807 1.00 0.00 H new ATOM 0 HB2 TYR A 16 4.204 -5.733 4.739 1.00 0.00 H new ATOM 0 HB3 TYR A 16 2.568 -5.354 5.240 1.00 0.00 H new ATOM 0 HD1 TYR A 16 1.864 -5.852 7.623 1.00 0.00 H new ATOM 0 HD2 TYR A 16 5.922 -6.159 6.360 1.00 0.00 H new ATOM 0 HE1 TYR A 16 2.598 -5.774 9.965 1.00 0.00 H new ATOM 0 HE2 TYR A 16 6.658 -6.082 8.703 1.00 0.00 H new ATOM 0 HH TYR A 16 6.057 -5.934 10.827 1.00 0.00 H new ATOM 269 N CYS A 17 2.063 -7.332 2.668 1.00 0.00 N ATOM 270 CA CYS A 17 1.021 -7.222 1.652 1.00 0.00 C ATOM 271 C CYS A 17 0.299 -8.550 1.471 1.00 0.00 C ATOM 272 O CYS A 17 -0.930 -8.597 1.432 1.00 0.00 O ATOM 273 CB CYS A 17 1.601 -6.752 0.315 1.00 0.00 C ATOM 274 SG CYS A 17 3.061 -7.685 -0.245 1.00 0.00 S ATOM 0 H CYS A 17 3.011 -7.409 2.300 1.00 0.00 H new ATOM 0 HA CYS A 17 0.303 -6.478 1.996 1.00 0.00 H new ATOM 0 HB2 CYS A 17 0.826 -6.823 -0.448 1.00 0.00 H new ATOM 0 HB3 CYS A 17 1.869 -5.699 0.400 1.00 0.00 H new ATOM 279 N ASP A 18 1.064 -9.633 1.375 1.00 0.00 N ATOM 280 CA ASP A 18 0.482 -10.961 1.207 1.00 0.00 C ATOM 281 C ASP A 18 -0.624 -11.200 2.233 1.00 0.00 C ATOM 282 O ASP A 18 -1.631 -11.850 1.941 1.00 0.00 O ATOM 283 CB ASP A 18 1.564 -12.034 1.347 1.00 0.00 C ATOM 284 CG ASP A 18 1.181 -13.334 0.669 1.00 0.00 C ATOM 285 OD1 ASP A 18 0.435 -14.126 1.281 1.00 0.00 O ATOM 286 OD2 ASP A 18 1.627 -13.558 -0.476 1.00 0.00 O ATOM 0 H ASP A 18 2.083 -9.618 1.410 1.00 0.00 H new ATOM 0 HA ASP A 18 0.048 -11.020 0.209 1.00 0.00 H new ATOM 0 HB2 ASP A 18 2.496 -11.665 0.918 1.00 0.00 H new ATOM 0 HB3 ASP A 18 1.752 -12.221 2.404 1.00 0.00 H new ATOM 291 N ASN A 19 -0.431 -10.661 3.432 1.00 0.00 N ATOM 292 CA ASN A 19 -1.412 -10.804 4.500 1.00 0.00 C ATOM 293 C ASN A 19 -2.658 -9.979 4.197 1.00 0.00 C ATOM 294 O ASN A 19 -3.758 -10.519 4.074 1.00 0.00 O ATOM 295 CB ASN A 19 -0.812 -10.372 5.840 1.00 0.00 C ATOM 296 CG ASN A 19 -0.245 -11.540 6.623 1.00 0.00 C ATOM 297 OD1 ASN A 19 -0.982 -12.289 7.265 1.00 0.00 O ATOM 298 ND2 ASN A 19 1.073 -11.703 6.575 1.00 0.00 N ATOM 0 H ASN A 19 0.396 -10.121 3.688 1.00 0.00 H new ATOM 0 HA ASN A 19 -1.695 -11.855 4.564 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -0.024 -9.640 5.663 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -1.579 -9.877 6.436 1.00 0.00 H new ATOM 0 HD21 ASN A 19 1.511 -12.472 7.082 1.00 0.00 H new ATOM 0 HD22 ASN A 19 1.647 -11.059 6.031 1.00 0.00 H new ATOM 305 N ALA A 20 -2.479 -8.666 4.075 1.00 0.00 N ATOM 306 CA ALA A 20 -3.589 -7.766 3.785 1.00 0.00 C ATOM 307 C ALA A 20 -4.357 -8.219 2.547 1.00 0.00 C ATOM 308 O ALA A 20 -5.573 -8.050 2.464 1.00 0.00 O ATOM 309 CB ALA A 20 -3.079 -6.345 3.600 1.00 0.00 C ATOM 0 H ALA A 20 -1.575 -8.203 4.173 1.00 0.00 H new ATOM 0 HA ALA A 20 -4.274 -7.789 4.633 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -3.917 -5.683 3.384 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -2.582 -6.015 4.512 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -2.372 -6.317 2.771 1.00 0.00 H new ATOM 315 N LYS A 21 -3.642 -8.805 1.591 1.00 0.00 N ATOM 316 CA LYS A 21 -4.261 -9.284 0.361 1.00 0.00 C ATOM 317 C LYS A 21 -5.335 -10.319 0.671 1.00 0.00 C ATOM 318 O LYS A 21 -6.488 -10.174 0.263 1.00 0.00 O ATOM 319 CB LYS A 21 -3.204 -9.891 -0.563 1.00 0.00 C ATOM 320 CG LYS A 21 -3.584 -9.850 -2.035 1.00 0.00 C ATOM 321 CD LYS A 21 -4.447 -11.042 -2.422 1.00 0.00 C ATOM 322 CE LYS A 21 -3.608 -12.291 -2.639 1.00 0.00 C ATOM 323 NZ LYS A 21 -4.285 -13.266 -3.537 1.00 0.00 N ATOM 0 H LYS A 21 -2.635 -8.959 1.645 1.00 0.00 H new ATOM 0 HA LYS A 21 -4.727 -8.436 -0.141 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -2.263 -9.358 -0.424 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -3.030 -10.926 -0.270 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -4.122 -8.926 -2.247 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -2.681 -9.840 -2.645 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -5.183 -11.228 -1.640 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -5.000 -10.812 -3.332 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -2.645 -12.012 -3.067 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -3.405 -12.763 -1.678 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -3.680 -14.103 -3.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -5.192 -13.553 -3.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -4.456 -12.824 -4.463 1.00 0.00 H new ATOM 337 N ARG A 22 -4.951 -11.363 1.401 1.00 0.00 N ATOM 338 CA ARG A 22 -5.889 -12.419 1.769 1.00 0.00 C ATOM 339 C ARG A 22 -7.046 -11.848 2.582 1.00 0.00 C ATOM 340 O ARG A 22 -8.186 -12.295 2.462 1.00 0.00 O ATOM 341 CB ARG A 22 -5.180 -13.514 2.568 1.00 0.00 C ATOM 342 CG ARG A 22 -6.031 -14.757 2.780 1.00 0.00 C ATOM 343 CD ARG A 22 -5.598 -15.527 4.018 1.00 0.00 C ATOM 344 NE ARG A 22 -6.510 -16.627 4.324 1.00 0.00 N ATOM 345 CZ ARG A 22 -6.311 -17.505 5.304 1.00 0.00 C ATOM 346 NH1 ARG A 22 -5.235 -17.416 6.076 1.00 0.00 N ATOM 347 NH2 ARG A 22 -7.191 -18.475 5.514 1.00 0.00 N ATOM 0 H ARG A 22 -4.002 -11.500 1.748 1.00 0.00 H new ATOM 0 HA ARG A 22 -6.286 -12.855 0.852 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -4.263 -13.795 2.050 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -4.888 -13.113 3.539 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -7.078 -14.470 2.877 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -5.957 -15.403 1.905 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -4.593 -15.921 3.867 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -5.550 -14.848 4.869 1.00 0.00 H new ATOM 0 HE ARG A 22 -7.349 -16.728 3.753 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -4.555 -16.672 5.920 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -5.088 -18.092 6.826 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -8.020 -18.548 4.924 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -7.039 -19.148 6.265 1.00 0.00 H new ATOM 361 N LEU A 23 -6.739 -10.850 3.404 1.00 0.00 N ATOM 362 CA LEU A 23 -7.745 -10.203 4.238 1.00 0.00 C ATOM 363 C LEU A 23 -8.830 -9.569 3.374 1.00 0.00 C ATOM 364 O LEU A 23 -10.017 -9.846 3.546 1.00 0.00 O ATOM 365 CB LEU A 23 -7.082 -9.139 5.122 1.00 0.00 C ATOM 366 CG LEU A 23 -8.039 -8.177 5.832 1.00 0.00 C ATOM 367 CD1 LEU A 23 -7.363 -7.560 7.047 1.00 0.00 C ATOM 368 CD2 LEU A 23 -8.512 -7.088 4.878 1.00 0.00 C ATOM 0 H LEU A 23 -5.798 -10.471 3.510 1.00 0.00 H new ATOM 0 HA LEU A 23 -8.210 -10.956 4.874 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -6.478 -9.644 5.876 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -6.399 -8.554 4.505 1.00 0.00 H new ATOM 0 HG LEU A 23 -8.909 -8.742 6.166 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -8.055 -6.879 7.542 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -7.072 -8.349 7.741 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -6.477 -7.010 6.730 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -9.191 -6.415 5.402 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -7.653 -6.525 4.514 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -9.031 -7.543 4.035 1.00 0.00 H new ATOM 380 N LEU A 24 -8.412 -8.717 2.444 1.00 0.00 N ATOM 381 CA LEU A 24 -9.344 -8.038 1.551 1.00 0.00 C ATOM 382 C LEU A 24 -10.215 -9.043 0.811 1.00 0.00 C ATOM 383 O LEU A 24 -11.436 -8.899 0.755 1.00 0.00 O ATOM 384 CB LEU A 24 -8.580 -7.173 0.550 1.00 0.00 C ATOM 385 CG LEU A 24 -7.910 -5.936 1.150 1.00 0.00 C ATOM 386 CD1 LEU A 24 -6.573 -5.676 0.481 1.00 0.00 C ATOM 387 CD2 LEU A 24 -8.814 -4.724 1.014 1.00 0.00 C ATOM 0 H LEU A 24 -7.432 -8.480 2.289 1.00 0.00 H new ATOM 0 HA LEU A 24 -9.990 -7.400 2.154 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -7.817 -7.786 0.071 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -9.269 -6.852 -0.232 1.00 0.00 H new ATOM 0 HG LEU A 24 -7.735 -6.121 2.210 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -6.112 -4.792 0.921 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -5.920 -6.537 0.626 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -6.726 -5.512 -0.586 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -8.322 -3.853 1.446 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -9.019 -4.539 -0.041 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -9.751 -4.909 1.539 1.00 0.00 H new ATOM 399 N THR A 25 -9.580 -10.066 0.247 1.00 0.00 N ATOM 400 CA THR A 25 -10.303 -11.100 -0.482 1.00 0.00 C ATOM 401 C THR A 25 -11.371 -11.724 0.411 1.00 0.00 C ATOM 402 O THR A 25 -12.473 -12.036 -0.042 1.00 0.00 O ATOM 403 CB THR A 25 -9.339 -12.178 -0.977 1.00 0.00 C ATOM 404 OG1 THR A 25 -8.307 -11.607 -1.762 1.00 0.00 O ATOM 405 CG2 THR A 25 -10.013 -13.245 -1.812 1.00 0.00 C ATOM 0 H THR A 25 -8.569 -10.200 0.281 1.00 0.00 H new ATOM 0 HA THR A 25 -10.786 -10.642 -1.345 1.00 0.00 H new ATOM 0 HB THR A 25 -8.938 -12.643 -0.076 1.00 0.00 H new ATOM 0 HG1 THR A 25 -7.647 -11.181 -1.176 1.00 0.00 H new ATOM 0 HG21 THR A 25 -9.273 -13.979 -2.131 1.00 0.00 H new ATOM 0 HG22 THR A 25 -10.782 -13.740 -1.219 1.00 0.00 H new ATOM 0 HG23 THR A 25 -10.470 -12.786 -2.689 1.00 0.00 H new ATOM 413 N VAL A 26 -11.035 -11.887 1.686 1.00 0.00 N ATOM 414 CA VAL A 26 -11.956 -12.460 2.660 1.00 0.00 C ATOM 415 C VAL A 26 -13.002 -11.431 3.082 1.00 0.00 C ATOM 416 O VAL A 26 -14.163 -11.769 3.311 1.00 0.00 O ATOM 417 CB VAL A 26 -11.204 -12.960 3.910 1.00 0.00 C ATOM 418 CG1 VAL A 26 -12.166 -13.591 4.905 1.00 0.00 C ATOM 419 CG2 VAL A 26 -10.112 -13.942 3.516 1.00 0.00 C ATOM 0 H VAL A 26 -10.126 -11.629 2.070 1.00 0.00 H new ATOM 0 HA VAL A 26 -12.451 -13.306 2.183 1.00 0.00 H new ATOM 0 HB VAL A 26 -10.736 -12.103 4.394 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -11.612 -13.936 5.778 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -12.906 -12.853 5.213 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -12.670 -14.437 4.438 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -9.591 -14.285 4.410 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -10.557 -14.796 3.005 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -9.403 -13.450 2.850 1.00 0.00 H new ATOM 429 N LYS A 27 -12.578 -10.175 3.177 1.00 0.00 N ATOM 430 CA LYS A 27 -13.473 -9.090 3.563 1.00 0.00 C ATOM 431 C LYS A 27 -14.449 -8.754 2.435 1.00 0.00 C ATOM 432 O LYS A 27 -15.397 -7.993 2.632 1.00 0.00 O ATOM 433 CB LYS A 27 -12.663 -7.846 3.943 1.00 0.00 C ATOM 434 CG LYS A 27 -12.783 -7.459 5.409 1.00 0.00 C ATOM 435 CD LYS A 27 -14.065 -6.688 5.679 1.00 0.00 C ATOM 436 CE LYS A 27 -14.581 -6.942 7.087 1.00 0.00 C ATOM 437 NZ LYS A 27 -15.907 -6.305 7.315 1.00 0.00 N ATOM 0 H LYS A 27 -11.618 -9.883 2.992 1.00 0.00 H new ATOM 0 HA LYS A 27 -14.050 -9.419 4.427 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -11.613 -8.022 3.708 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -12.991 -7.008 3.328 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -12.761 -8.357 6.026 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -11.925 -6.852 5.698 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -13.885 -5.622 5.543 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -14.825 -6.978 4.954 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -14.660 -8.016 7.257 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -13.864 -6.557 7.812 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -16.224 -6.501 8.286 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -15.827 -5.277 7.178 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -16.598 -6.691 6.640 1.00 0.00 H new ATOM 451 N LYS A 28 -14.212 -9.321 1.252 1.00 0.00 N ATOM 452 CA LYS A 28 -15.069 -9.077 0.094 1.00 0.00 C ATOM 453 C LYS A 28 -14.851 -7.668 -0.451 1.00 0.00 C ATOM 454 O LYS A 28 -15.805 -6.916 -0.659 1.00 0.00 O ATOM 455 CB LYS A 28 -16.543 -9.274 0.461 1.00 0.00 C ATOM 456 CG LYS A 28 -17.372 -9.881 -0.659 1.00 0.00 C ATOM 457 CD LYS A 28 -17.716 -11.335 -0.376 1.00 0.00 C ATOM 458 CE LYS A 28 -16.622 -12.271 -0.865 1.00 0.00 C ATOM 459 NZ LYS A 28 -16.955 -12.873 -2.185 1.00 0.00 N ATOM 0 H LYS A 28 -13.432 -9.953 1.071 1.00 0.00 H new ATOM 0 HA LYS A 28 -14.802 -9.796 -0.680 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -16.608 -9.917 1.339 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -16.972 -8.311 0.738 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -18.290 -9.307 -0.785 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -16.822 -9.813 -1.598 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -17.863 -11.473 0.695 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -18.658 -11.589 -0.862 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -15.683 -11.723 -0.943 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -16.469 -13.064 -0.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -16.184 -13.504 -2.483 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -17.837 -13.418 -2.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -17.076 -12.118 -2.890 1.00 0.00 H new ATOM 473 N GLN A 29 -13.591 -7.317 -0.682 1.00 0.00 N ATOM 474 CA GLN A 29 -13.253 -5.998 -1.198 1.00 0.00 C ATOM 475 C GLN A 29 -12.144 -6.080 -2.244 1.00 0.00 C ATOM 476 O GLN A 29 -11.090 -6.666 -1.994 1.00 0.00 O ATOM 477 CB GLN A 29 -12.812 -5.080 -0.055 1.00 0.00 C ATOM 478 CG GLN A 29 -13.971 -4.408 0.664 1.00 0.00 C ATOM 479 CD GLN A 29 -14.736 -3.452 -0.230 1.00 0.00 C ATOM 480 OE1 GLN A 29 -14.336 -2.302 -0.415 1.00 0.00 O ATOM 481 NE2 GLN A 29 -15.845 -3.923 -0.788 1.00 0.00 N ATOM 0 H GLN A 29 -12.789 -7.926 -0.520 1.00 0.00 H new ATOM 0 HA GLN A 29 -14.145 -5.588 -1.672 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -12.236 -5.661 0.665 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -12.147 -4.313 -0.451 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -14.652 -5.171 1.040 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -13.591 -3.865 1.529 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -16.139 -4.883 -0.607 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -16.403 -3.325 -1.398 1.00 0.00 H new ATOM 490 N PRO A 30 -12.353 -5.476 -3.427 1.00 0.00 N ATOM 491 CA PRO A 30 -11.354 -5.469 -4.495 1.00 0.00 C ATOM 492 C PRO A 30 -10.290 -4.417 -4.230 1.00 0.00 C ATOM 493 O PRO A 30 -10.505 -3.515 -3.427 1.00 0.00 O ATOM 494 CB PRO A 30 -12.176 -5.091 -5.721 1.00 0.00 C ATOM 495 CG PRO A 30 -13.217 -4.178 -5.176 1.00 0.00 C ATOM 496 CD PRO A 30 -13.570 -4.729 -3.817 1.00 0.00 C ATOM 0 HA PRO A 30 -10.825 -6.417 -4.596 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -11.565 -4.597 -6.477 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -12.619 -5.968 -6.193 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -12.842 -3.157 -5.100 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -14.091 -4.148 -5.826 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -13.799 -3.934 -3.107 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -14.444 -5.379 -3.861 1.00 0.00 H new ATOM 504 N PHE A 31 -9.143 -4.533 -4.889 1.00 0.00 N ATOM 505 CA PHE A 31 -8.066 -3.570 -4.688 1.00 0.00 C ATOM 506 C PHE A 31 -7.052 -3.597 -5.829 1.00 0.00 C ATOM 507 O PHE A 31 -7.086 -4.483 -6.684 1.00 0.00 O ATOM 508 CB PHE A 31 -7.359 -3.845 -3.374 1.00 0.00 C ATOM 509 CG PHE A 31 -6.974 -5.280 -3.225 1.00 0.00 C ATOM 510 CD1 PHE A 31 -7.938 -6.229 -2.949 1.00 0.00 C ATOM 511 CD2 PHE A 31 -5.661 -5.683 -3.382 1.00 0.00 C ATOM 512 CE1 PHE A 31 -7.605 -7.559 -2.829 1.00 0.00 C ATOM 513 CE2 PHE A 31 -5.316 -7.013 -3.260 1.00 0.00 C ATOM 514 CZ PHE A 31 -6.290 -7.955 -2.983 1.00 0.00 C ATOM 0 H PHE A 31 -8.936 -5.274 -5.559 1.00 0.00 H new ATOM 0 HA PHE A 31 -8.518 -2.578 -4.666 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -6.466 -3.223 -3.308 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -8.009 -3.558 -2.548 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -8.967 -5.924 -2.826 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -4.899 -4.950 -3.602 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -8.369 -8.291 -2.615 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -4.287 -7.318 -3.381 1.00 0.00 H new ATOM 0 HZ PHE A 31 -6.024 -8.997 -2.887 1.00 0.00 H new ATOM 524 N GLU A 32 -6.137 -2.628 -5.821 1.00 0.00 N ATOM 525 CA GLU A 32 -5.097 -2.541 -6.838 1.00 0.00 C ATOM 526 C GLU A 32 -3.748 -2.248 -6.191 1.00 0.00 C ATOM 527 O GLU A 32 -3.650 -1.420 -5.284 1.00 0.00 O ATOM 528 CB GLU A 32 -5.434 -1.454 -7.861 1.00 0.00 C ATOM 529 CG GLU A 32 -5.747 -1.999 -9.245 1.00 0.00 C ATOM 530 CD GLU A 32 -6.043 -0.903 -10.251 1.00 0.00 C ATOM 531 OE1 GLU A 32 -5.534 0.222 -10.070 1.00 0.00 O ATOM 532 OE2 GLU A 32 -6.786 -1.171 -11.219 1.00 0.00 O ATOM 0 H GLU A 32 -6.098 -1.891 -5.117 1.00 0.00 H new ATOM 0 HA GLU A 32 -5.041 -3.499 -7.354 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -6.290 -0.882 -7.503 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -4.595 -0.762 -7.933 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -4.903 -2.592 -9.597 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -6.604 -2.670 -9.182 1.00 0.00 H new ATOM 539 N PHE A 33 -2.714 -2.941 -6.650 1.00 0.00 N ATOM 540 CA PHE A 33 -1.377 -2.767 -6.109 1.00 0.00 C ATOM 541 C PHE A 33 -0.609 -1.674 -6.843 1.00 0.00 C ATOM 542 O PHE A 33 -0.901 -1.354 -7.995 1.00 0.00 O ATOM 543 CB PHE A 33 -0.608 -4.083 -6.203 1.00 0.00 C ATOM 544 CG PHE A 33 0.512 -4.181 -5.217 1.00 0.00 C ATOM 545 CD1 PHE A 33 0.251 -4.140 -3.862 1.00 0.00 C ATOM 546 CD2 PHE A 33 1.822 -4.304 -5.644 1.00 0.00 C ATOM 547 CE1 PHE A 33 1.278 -4.222 -2.942 1.00 0.00 C ATOM 548 CE2 PHE A 33 2.856 -4.386 -4.731 1.00 0.00 C ATOM 549 CZ PHE A 33 2.582 -4.345 -3.377 1.00 0.00 C ATOM 0 H PHE A 33 -2.779 -3.631 -7.399 1.00 0.00 H new ATOM 0 HA PHE A 33 -1.476 -2.466 -5.066 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -1.298 -4.912 -6.044 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -0.207 -4.191 -7.211 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -0.768 -4.043 -3.517 1.00 0.00 H new ATOM 0 HD2 PHE A 33 2.039 -4.336 -6.702 1.00 0.00 H new ATOM 0 HE1 PHE A 33 1.061 -4.190 -1.885 1.00 0.00 H new ATOM 0 HE2 PHE A 33 3.875 -4.482 -5.075 1.00 0.00 H new ATOM 0 HZ PHE A 33 3.387 -4.409 -2.660 1.00 0.00 H new ATOM 559 N ILE A 34 0.387 -1.120 -6.160 1.00 0.00 N ATOM 560 CA ILE A 34 1.232 -0.076 -6.723 1.00 0.00 C ATOM 561 C ILE A 34 2.659 -0.250 -6.230 1.00 0.00 C ATOM 562 O ILE A 34 2.926 -0.226 -5.029 1.00 0.00 O ATOM 563 CB ILE A 34 0.736 1.334 -6.361 1.00 0.00 C ATOM 564 CG1 ILE A 34 -0.780 1.416 -6.532 1.00 0.00 C ATOM 565 CG2 ILE A 34 1.430 2.378 -7.223 1.00 0.00 C ATOM 566 CD1 ILE A 34 -1.390 2.675 -5.957 1.00 0.00 C ATOM 0 H ILE A 34 0.630 -1.381 -5.204 1.00 0.00 H new ATOM 0 HA ILE A 34 1.190 -0.174 -7.808 1.00 0.00 H new ATOM 0 HB ILE A 34 0.980 1.536 -5.318 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -1.021 1.359 -7.594 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -1.238 0.550 -6.054 1.00 0.00 H new ATOM 0 HG21 ILE A 34 1.068 3.370 -6.955 1.00 0.00 H new ATOM 0 HG22 ILE A 34 2.506 2.328 -7.059 1.00 0.00 H new ATOM 0 HG23 ILE A 34 1.213 2.185 -8.274 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -2.468 2.662 -6.116 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -1.181 2.725 -4.888 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -0.961 3.546 -6.452 1.00 0.00 H new ATOM 578 N ASN A 35 3.563 -0.452 -7.170 1.00 0.00 N ATOM 579 CA ASN A 35 4.969 -0.661 -6.851 1.00 0.00 C ATOM 580 C ASN A 35 5.779 0.619 -7.007 1.00 0.00 C ATOM 581 O ASN A 35 5.630 1.349 -7.987 1.00 0.00 O ATOM 582 CB ASN A 35 5.555 -1.758 -7.743 1.00 0.00 C ATOM 583 CG ASN A 35 5.411 -1.441 -9.220 1.00 0.00 C ATOM 584 OD1 ASN A 35 6.289 -0.827 -9.823 1.00 0.00 O ATOM 585 ND2 ASN A 35 4.296 -1.860 -9.809 1.00 0.00 N ATOM 0 H ASN A 35 3.350 -0.476 -8.167 1.00 0.00 H new ATOM 0 HA ASN A 35 5.027 -0.970 -5.807 1.00 0.00 H new ATOM 0 HB2 ASN A 35 6.610 -1.892 -7.504 1.00 0.00 H new ATOM 0 HB3 ASN A 35 5.057 -2.703 -7.527 1.00 0.00 H new ATOM 0 HD21 ASN A 35 4.142 -1.675 -10.800 1.00 0.00 H new ATOM 0 HD22 ASN A 35 3.594 -2.366 -9.270 1.00 0.00 H new ATOM 592 N ILE A 36 6.646 0.875 -6.033 1.00 0.00 N ATOM 593 CA ILE A 36 7.497 2.056 -6.052 1.00 0.00 C ATOM 594 C ILE A 36 8.890 1.720 -6.588 1.00 0.00 C ATOM 595 O ILE A 36 9.665 2.611 -6.929 1.00 0.00 O ATOM 596 CB ILE A 36 7.626 2.679 -4.647 1.00 0.00 C ATOM 597 CG1 ILE A 36 8.384 1.735 -3.707 1.00 0.00 C ATOM 598 CG2 ILE A 36 6.249 3.004 -4.086 1.00 0.00 C ATOM 599 CD1 ILE A 36 9.761 2.237 -3.329 1.00 0.00 C ATOM 0 H ILE A 36 6.777 0.276 -5.218 1.00 0.00 H new ATOM 0 HA ILE A 36 7.024 2.780 -6.715 1.00 0.00 H new ATOM 0 HB ILE A 36 8.194 3.606 -4.729 1.00 0.00 H new ATOM 0 HG12 ILE A 36 7.797 1.590 -2.800 1.00 0.00 H new ATOM 0 HG13 ILE A 36 8.480 0.760 -4.184 1.00 0.00 H new ATOM 0 HG21 ILE A 36 6.355 3.443 -3.094 1.00 0.00 H new ATOM 0 HG22 ILE A 36 5.746 3.712 -4.744 1.00 0.00 H new ATOM 0 HG23 ILE A 36 5.659 2.090 -4.017 1.00 0.00 H new ATOM 0 HD11 ILE A 36 10.240 1.519 -2.663 1.00 0.00 H new ATOM 0 HD12 ILE A 36 10.365 2.355 -4.229 1.00 0.00 H new ATOM 0 HD13 ILE A 36 9.672 3.198 -2.823 1.00 0.00 H new ATOM 611 N MET A 37 9.198 0.426 -6.662 1.00 0.00 N ATOM 612 CA MET A 37 10.489 -0.025 -7.159 1.00 0.00 C ATOM 613 C MET A 37 10.302 -0.983 -8.336 1.00 0.00 C ATOM 614 O MET A 37 10.362 -2.200 -8.174 1.00 0.00 O ATOM 615 CB MET A 37 11.289 -0.699 -6.034 1.00 0.00 C ATOM 616 CG MET A 37 12.471 -1.534 -6.513 1.00 0.00 C ATOM 617 SD MET A 37 14.028 -1.083 -5.717 1.00 0.00 S ATOM 618 CE MET A 37 13.580 -1.109 -3.984 1.00 0.00 C ATOM 0 H MET A 37 8.568 -0.326 -6.383 1.00 0.00 H new ATOM 0 HA MET A 37 11.050 0.842 -7.508 1.00 0.00 H new ATOM 0 HB2 MET A 37 11.655 0.070 -5.354 1.00 0.00 H new ATOM 0 HB3 MET A 37 10.618 -1.338 -5.460 1.00 0.00 H new ATOM 0 HG2 MET A 37 12.265 -2.587 -6.323 1.00 0.00 H new ATOM 0 HG3 MET A 37 12.575 -1.419 -7.592 1.00 0.00 H new ATOM 0 HE1 MET A 37 14.434 -0.797 -3.383 1.00 0.00 H new ATOM 0 HE2 MET A 37 12.747 -0.427 -3.813 1.00 0.00 H new ATOM 0 HE3 MET A 37 13.285 -2.119 -3.699 1.00 0.00 H new ATOM 628 N PRO A 38 10.060 -0.435 -9.538 1.00 0.00 N ATOM 629 CA PRO A 38 9.856 -1.227 -10.747 1.00 0.00 C ATOM 630 C PRO A 38 11.165 -1.535 -11.470 1.00 0.00 C ATOM 631 O PRO A 38 11.195 -1.661 -12.694 1.00 0.00 O ATOM 632 CB PRO A 38 8.985 -0.304 -11.590 1.00 0.00 C ATOM 633 CG PRO A 38 9.464 1.067 -11.246 1.00 0.00 C ATOM 634 CD PRO A 38 9.953 1.009 -9.816 1.00 0.00 C ATOM 0 HA PRO A 38 9.417 -2.204 -10.542 1.00 0.00 H new ATOM 0 HB2 PRO A 38 9.100 -0.510 -12.654 1.00 0.00 H new ATOM 0 HB3 PRO A 38 7.928 -0.428 -11.353 1.00 0.00 H new ATOM 0 HG2 PRO A 38 10.265 1.377 -11.917 1.00 0.00 H new ATOM 0 HG3 PRO A 38 8.660 1.796 -11.351 1.00 0.00 H new ATOM 0 HD2 PRO A 38 10.914 1.511 -9.701 1.00 0.00 H new ATOM 0 HD3 PRO A 38 9.256 1.497 -9.135 1.00 0.00 H new ATOM 642 N GLU A 39 12.244 -1.656 -10.705 1.00 0.00 N ATOM 643 CA GLU A 39 13.554 -1.947 -11.267 1.00 0.00 C ATOM 644 C GLU A 39 14.298 -2.951 -10.396 1.00 0.00 C ATOM 645 O GLU A 39 13.919 -3.187 -9.252 1.00 0.00 O ATOM 646 CB GLU A 39 14.372 -0.660 -11.402 1.00 0.00 C ATOM 647 CG GLU A 39 15.111 -0.545 -12.723 1.00 0.00 C ATOM 648 CD GLU A 39 14.193 -0.189 -13.877 1.00 0.00 C ATOM 649 OE1 GLU A 39 13.070 0.292 -13.616 1.00 0.00 O ATOM 650 OE2 GLU A 39 14.598 -0.391 -15.041 1.00 0.00 O ATOM 0 H GLU A 39 12.235 -1.556 -9.690 1.00 0.00 H new ATOM 0 HA GLU A 39 13.415 -2.381 -12.257 1.00 0.00 H new ATOM 0 HB2 GLU A 39 13.707 0.196 -11.292 1.00 0.00 H new ATOM 0 HB3 GLU A 39 15.093 -0.611 -10.586 1.00 0.00 H new ATOM 0 HG2 GLU A 39 15.889 0.214 -12.635 1.00 0.00 H new ATOM 0 HG3 GLU A 39 15.610 -1.490 -12.939 1.00 0.00 H new ATOM 657 N LYS A 40 15.359 -3.540 -10.939 1.00 0.00 N ATOM 658 CA LYS A 40 16.148 -4.533 -10.207 1.00 0.00 C ATOM 659 C LYS A 40 16.628 -4.033 -8.853 1.00 0.00 C ATOM 660 O LYS A 40 17.166 -4.799 -8.052 1.00 0.00 O ATOM 661 CB LYS A 40 17.336 -5.009 -11.044 1.00 0.00 C ATOM 662 CG LYS A 40 17.779 -6.428 -10.717 1.00 0.00 C ATOM 663 CD LYS A 40 19.296 -6.545 -10.676 1.00 0.00 C ATOM 664 CE LYS A 40 19.758 -7.443 -9.537 1.00 0.00 C ATOM 665 NZ LYS A 40 19.273 -8.843 -9.696 1.00 0.00 N ATOM 0 H LYS A 40 15.695 -3.349 -11.883 1.00 0.00 H new ATOM 0 HA LYS A 40 15.480 -5.373 -10.017 1.00 0.00 H new ATOM 0 HB2 LYS A 40 17.072 -4.954 -12.100 1.00 0.00 H new ATOM 0 HB3 LYS A 40 18.175 -4.330 -10.889 1.00 0.00 H new ATOM 0 HG2 LYS A 40 17.364 -6.727 -9.754 1.00 0.00 H new ATOM 0 HG3 LYS A 40 17.380 -7.115 -11.463 1.00 0.00 H new ATOM 0 HD2 LYS A 40 19.656 -6.944 -11.624 1.00 0.00 H new ATOM 0 HD3 LYS A 40 19.735 -5.554 -10.560 1.00 0.00 H new ATOM 0 HE2 LYS A 40 20.847 -7.440 -9.492 1.00 0.00 H new ATOM 0 HE3 LYS A 40 19.399 -7.041 -8.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 19.666 -9.435 -8.936 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 18.234 -8.858 -9.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 19.580 -9.214 -10.618 1.00 0.00 H new ATOM 679 N GLY A 41 16.432 -2.760 -8.603 1.00 0.00 N ATOM 680 CA GLY A 41 16.845 -2.179 -7.339 1.00 0.00 C ATOM 681 C GLY A 41 16.934 -0.664 -7.377 1.00 0.00 C ATOM 682 O GLY A 41 17.967 -0.093 -7.029 1.00 0.00 O ATOM 0 H GLY A 41 15.992 -2.107 -9.251 1.00 0.00 H new ATOM 0 HA2 GLY A 41 16.140 -2.476 -6.563 1.00 0.00 H new ATOM 0 HA3 GLY A 41 17.817 -2.587 -7.060 1.00 0.00 H new ATOM 686 N VAL A 42 15.852 -0.008 -7.793 1.00 0.00 N ATOM 687 CA VAL A 42 15.829 1.451 -7.861 1.00 0.00 C ATOM 688 C VAL A 42 14.427 2.011 -7.631 1.00 0.00 C ATOM 689 O VAL A 42 13.475 1.637 -8.314 1.00 0.00 O ATOM 690 CB VAL A 42 16.340 1.963 -9.218 1.00 0.00 C ATOM 691 CG1 VAL A 42 16.618 3.457 -9.154 1.00 0.00 C ATOM 692 CG2 VAL A 42 17.581 1.201 -9.651 1.00 0.00 C ATOM 0 H VAL A 42 14.986 -0.460 -8.086 1.00 0.00 H new ATOM 0 HA VAL A 42 16.490 1.798 -7.067 1.00 0.00 H new ATOM 0 HB VAL A 42 15.563 1.791 -9.963 1.00 0.00 H new ATOM 0 HG11 VAL A 42 16.979 3.802 -10.123 1.00 0.00 H new ATOM 0 HG12 VAL A 42 15.700 3.987 -8.899 1.00 0.00 H new ATOM 0 HG13 VAL A 42 17.374 3.654 -8.394 1.00 0.00 H new ATOM 0 HG21 VAL A 42 17.924 1.581 -10.613 1.00 0.00 H new ATOM 0 HG22 VAL A 42 18.367 1.333 -8.908 1.00 0.00 H new ATOM 0 HG23 VAL A 42 17.344 0.141 -9.743 1.00 0.00 H new ATOM 702 N PHE A 43 14.319 2.922 -6.671 1.00 0.00 N ATOM 703 CA PHE A 43 13.045 3.563 -6.352 1.00 0.00 C ATOM 704 C PHE A 43 12.551 4.386 -7.542 1.00 0.00 C ATOM 705 O PHE A 43 13.347 4.993 -8.258 1.00 0.00 O ATOM 706 CB PHE A 43 13.206 4.469 -5.128 1.00 0.00 C ATOM 707 CG PHE A 43 12.818 3.821 -3.827 1.00 0.00 C ATOM 708 CD1 PHE A 43 13.068 2.475 -3.597 1.00 0.00 C ATOM 709 CD2 PHE A 43 12.208 4.565 -2.832 1.00 0.00 C ATOM 710 CE1 PHE A 43 12.713 1.889 -2.396 1.00 0.00 C ATOM 711 CE2 PHE A 43 11.851 3.983 -1.631 1.00 0.00 C ATOM 712 CZ PHE A 43 12.104 2.644 -1.413 1.00 0.00 C ATOM 0 H PHE A 43 15.101 3.236 -6.097 1.00 0.00 H new ATOM 0 HA PHE A 43 12.312 2.788 -6.131 1.00 0.00 H new ATOM 0 HB2 PHE A 43 14.245 4.794 -5.064 1.00 0.00 H new ATOM 0 HB3 PHE A 43 12.601 5.364 -5.270 1.00 0.00 H new ATOM 0 HD1 PHE A 43 13.544 1.880 -4.363 1.00 0.00 H new ATOM 0 HD2 PHE A 43 12.009 5.614 -2.997 1.00 0.00 H new ATOM 0 HE1 PHE A 43 12.912 0.841 -2.227 1.00 0.00 H new ATOM 0 HE2 PHE A 43 11.375 4.575 -0.864 1.00 0.00 H new ATOM 0 HZ PHE A 43 11.826 2.187 -0.475 1.00 0.00 H new ATOM 722 N ASP A 44 11.237 4.406 -7.750 1.00 0.00 N ATOM 723 CA ASP A 44 10.645 5.155 -8.859 1.00 0.00 C ATOM 724 C ASP A 44 10.102 6.505 -8.396 1.00 0.00 C ATOM 725 O ASP A 44 9.239 6.571 -7.522 1.00 0.00 O ATOM 726 CB ASP A 44 9.523 4.341 -9.508 1.00 0.00 C ATOM 727 CG ASP A 44 9.687 4.229 -11.010 1.00 0.00 C ATOM 728 OD1 ASP A 44 10.624 3.534 -11.456 1.00 0.00 O ATOM 729 OD2 ASP A 44 8.878 4.838 -11.743 1.00 0.00 O ATOM 0 H ASP A 44 10.561 3.913 -7.167 1.00 0.00 H new ATOM 0 HA ASP A 44 11.431 5.338 -9.591 1.00 0.00 H new ATOM 0 HB2 ASP A 44 9.503 3.342 -9.072 1.00 0.00 H new ATOM 0 HB3 ASP A 44 8.563 4.806 -9.283 1.00 0.00 H new ATOM 734 N ASP A 45 10.609 7.578 -8.998 1.00 0.00 N ATOM 735 CA ASP A 45 10.176 8.930 -8.656 1.00 0.00 C ATOM 736 C ASP A 45 8.721 9.166 -9.058 1.00 0.00 C ATOM 737 O ASP A 45 8.044 10.023 -8.488 1.00 0.00 O ATOM 738 CB ASP A 45 11.073 9.960 -9.344 1.00 0.00 C ATOM 739 CG ASP A 45 12.436 10.070 -8.690 1.00 0.00 C ATOM 740 OD1 ASP A 45 12.490 10.193 -7.448 1.00 0.00 O ATOM 741 OD2 ASP A 45 13.449 10.035 -9.419 1.00 0.00 O ATOM 0 H ASP A 45 11.322 7.537 -9.727 1.00 0.00 H new ATOM 0 HA ASP A 45 10.255 9.042 -7.575 1.00 0.00 H new ATOM 0 HB2 ASP A 45 11.197 9.687 -10.392 1.00 0.00 H new ATOM 0 HB3 ASP A 45 10.584 10.934 -9.324 1.00 0.00 H new ATOM 746 N GLU A 46 8.245 8.408 -10.043 1.00 0.00 N ATOM 747 CA GLU A 46 6.871 8.546 -10.518 1.00 0.00 C ATOM 748 C GLU A 46 5.880 8.313 -9.384 1.00 0.00 C ATOM 749 O GLU A 46 4.998 9.137 -9.138 1.00 0.00 O ATOM 750 CB GLU A 46 6.600 7.566 -11.661 1.00 0.00 C ATOM 751 CG GLU A 46 5.222 7.723 -12.282 1.00 0.00 C ATOM 752 CD GLU A 46 5.066 6.932 -13.566 1.00 0.00 C ATOM 753 OE1 GLU A 46 5.604 7.374 -14.604 1.00 0.00 O ATOM 754 OE2 GLU A 46 4.407 5.873 -13.535 1.00 0.00 O ATOM 0 H GLU A 46 8.789 7.694 -10.527 1.00 0.00 H new ATOM 0 HA GLU A 46 6.741 9.563 -10.887 1.00 0.00 H new ATOM 0 HB2 GLU A 46 7.356 7.704 -12.434 1.00 0.00 H new ATOM 0 HB3 GLU A 46 6.708 6.547 -11.288 1.00 0.00 H new ATOM 0 HG2 GLU A 46 4.466 7.399 -11.566 1.00 0.00 H new ATOM 0 HG3 GLU A 46 5.037 8.778 -12.485 1.00 0.00 H new ATOM 761 N LYS A 47 6.033 7.190 -8.694 1.00 0.00 N ATOM 762 CA LYS A 47 5.156 6.856 -7.580 1.00 0.00 C ATOM 763 C LYS A 47 5.533 7.667 -6.347 1.00 0.00 C ATOM 764 O LYS A 47 4.667 8.119 -5.599 1.00 0.00 O ATOM 765 CB LYS A 47 5.230 5.360 -7.268 1.00 0.00 C ATOM 766 CG LYS A 47 4.414 4.499 -8.219 1.00 0.00 C ATOM 767 CD LYS A 47 5.256 3.999 -9.383 1.00 0.00 C ATOM 768 CE LYS A 47 4.963 4.776 -10.656 1.00 0.00 C ATOM 769 NZ LYS A 47 3.777 4.233 -11.376 1.00 0.00 N ATOM 0 H LYS A 47 6.755 6.496 -8.886 1.00 0.00 H new ATOM 0 HA LYS A 47 4.133 7.102 -7.863 1.00 0.00 H new ATOM 0 HB2 LYS A 47 6.272 5.041 -7.305 1.00 0.00 H new ATOM 0 HB3 LYS A 47 4.881 5.192 -6.249 1.00 0.00 H new ATOM 0 HG2 LYS A 47 4.000 3.649 -7.677 1.00 0.00 H new ATOM 0 HG3 LYS A 47 3.571 5.075 -8.600 1.00 0.00 H new ATOM 0 HD2 LYS A 47 6.313 4.091 -9.135 1.00 0.00 H new ATOM 0 HD3 LYS A 47 5.058 2.940 -9.548 1.00 0.00 H new ATOM 0 HE2 LYS A 47 4.791 5.824 -10.410 1.00 0.00 H new ATOM 0 HE3 LYS A 47 5.833 4.741 -11.311 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 3.700 4.686 -12.309 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 3.885 3.206 -11.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 2.917 4.427 -10.824 1.00 0.00 H new ATOM 783 N ILE A 48 6.831 7.857 -6.150 1.00 0.00 N ATOM 784 CA ILE A 48 7.329 8.621 -5.014 1.00 0.00 C ATOM 785 C ILE A 48 6.783 10.045 -5.036 1.00 0.00 C ATOM 786 O ILE A 48 6.425 10.599 -3.998 1.00 0.00 O ATOM 787 CB ILE A 48 8.872 8.665 -5.007 1.00 0.00 C ATOM 788 CG1 ILE A 48 9.443 7.257 -4.833 1.00 0.00 C ATOM 789 CG2 ILE A 48 9.387 9.585 -3.908 1.00 0.00 C ATOM 790 CD1 ILE A 48 10.842 7.101 -5.387 1.00 0.00 C ATOM 0 H ILE A 48 7.559 7.492 -6.764 1.00 0.00 H new ATOM 0 HA ILE A 48 6.986 8.120 -4.109 1.00 0.00 H new ATOM 0 HB ILE A 48 9.204 9.063 -5.966 1.00 0.00 H new ATOM 0 HG12 ILE A 48 9.450 7.005 -3.773 1.00 0.00 H new ATOM 0 HG13 ILE A 48 8.784 6.543 -5.326 1.00 0.00 H new ATOM 0 HG21 ILE A 48 10.477 9.598 -3.925 1.00 0.00 H new ATOM 0 HG22 ILE A 48 9.010 10.594 -4.072 1.00 0.00 H new ATOM 0 HG23 ILE A 48 9.044 9.222 -2.939 1.00 0.00 H new ATOM 0 HD11 ILE A 48 11.184 6.078 -5.229 1.00 0.00 H new ATOM 0 HD12 ILE A 48 10.837 7.321 -6.454 1.00 0.00 H new ATOM 0 HD13 ILE A 48 11.514 7.791 -4.877 1.00 0.00 H new ATOM 802 N ALA A 49 6.728 10.632 -6.227 1.00 0.00 N ATOM 803 CA ALA A 49 6.234 11.995 -6.388 1.00 0.00 C ATOM 804 C ALA A 49 4.748 12.087 -6.060 1.00 0.00 C ATOM 805 O ALA A 49 4.341 12.851 -5.184 1.00 0.00 O ATOM 806 CB ALA A 49 6.493 12.484 -7.805 1.00 0.00 C ATOM 0 H ALA A 49 7.020 10.185 -7.096 1.00 0.00 H new ATOM 0 HA ALA A 49 6.772 12.634 -5.688 1.00 0.00 H new ATOM 0 HB1 ALA A 49 6.120 13.502 -7.912 1.00 0.00 H new ATOM 0 HB2 ALA A 49 7.564 12.467 -8.006 1.00 0.00 H new ATOM 0 HB3 ALA A 49 5.981 11.833 -8.514 1.00 0.00 H new ATOM 812 N GLU A 50 3.940 11.308 -6.772 1.00 0.00 N ATOM 813 CA GLU A 50 2.498 11.308 -6.555 1.00 0.00 C ATOM 814 C GLU A 50 2.161 10.897 -5.125 1.00 0.00 C ATOM 815 O GLU A 50 1.140 11.311 -4.575 1.00 0.00 O ATOM 816 CB GLU A 50 1.805 10.375 -7.551 1.00 0.00 C ATOM 817 CG GLU A 50 2.059 8.898 -7.292 1.00 0.00 C ATOM 818 CD GLU A 50 1.855 8.048 -8.530 1.00 0.00 C ATOM 819 OE1 GLU A 50 2.379 8.422 -9.601 1.00 0.00 O ATOM 820 OE2 GLU A 50 1.169 7.008 -8.431 1.00 0.00 O ATOM 0 H GLU A 50 4.258 10.671 -7.502 1.00 0.00 H new ATOM 0 HA GLU A 50 2.134 12.323 -6.714 1.00 0.00 H new ATOM 0 HB2 GLU A 50 0.731 10.560 -7.520 1.00 0.00 H new ATOM 0 HB3 GLU A 50 2.142 10.620 -8.558 1.00 0.00 H new ATOM 0 HG2 GLU A 50 3.078 8.766 -6.929 1.00 0.00 H new ATOM 0 HG3 GLU A 50 1.392 8.551 -6.503 1.00 0.00 H new ATOM 827 N LEU A 51 3.030 10.091 -4.522 1.00 0.00 N ATOM 828 CA LEU A 51 2.821 9.633 -3.156 1.00 0.00 C ATOM 829 C LEU A 51 2.736 10.821 -2.205 1.00 0.00 C ATOM 830 O LEU A 51 1.745 10.990 -1.494 1.00 0.00 O ATOM 831 CB LEU A 51 3.951 8.690 -2.736 1.00 0.00 C ATOM 832 CG LEU A 51 3.895 8.190 -1.288 1.00 0.00 C ATOM 833 CD1 LEU A 51 2.455 7.983 -0.840 1.00 0.00 C ATOM 834 CD2 LEU A 51 4.684 6.898 -1.148 1.00 0.00 C ATOM 0 H LEU A 51 3.884 9.743 -4.959 1.00 0.00 H new ATOM 0 HA LEU A 51 1.878 9.088 -3.110 1.00 0.00 H new ATOM 0 HB2 LEU A 51 3.944 7.826 -3.400 1.00 0.00 H new ATOM 0 HB3 LEU A 51 4.902 9.201 -2.888 1.00 0.00 H new ATOM 0 HG LEU A 51 4.344 8.948 -0.646 1.00 0.00 H new ATOM 0 HD11 LEU A 51 2.442 7.628 0.191 1.00 0.00 H new ATOM 0 HD12 LEU A 51 1.914 8.927 -0.905 1.00 0.00 H new ATOM 0 HD13 LEU A 51 1.976 7.245 -1.484 1.00 0.00 H new ATOM 0 HD21 LEU A 51 4.637 6.553 -0.115 1.00 0.00 H new ATOM 0 HD22 LEU A 51 4.258 6.139 -1.804 1.00 0.00 H new ATOM 0 HD23 LEU A 51 5.724 7.075 -1.424 1.00 0.00 H new ATOM 846 N LEU A 52 3.772 11.656 -2.209 1.00 0.00 N ATOM 847 CA LEU A 52 3.810 12.836 -1.361 1.00 0.00 C ATOM 848 C LEU A 52 2.549 13.670 -1.535 1.00 0.00 C ATOM 849 O LEU A 52 1.918 14.076 -0.559 1.00 0.00 O ATOM 850 CB LEU A 52 5.034 13.648 -1.716 1.00 0.00 C ATOM 851 CG LEU A 52 6.300 12.816 -1.887 1.00 0.00 C ATOM 852 CD1 LEU A 52 7.494 13.672 -1.617 1.00 0.00 C ATOM 853 CD2 LEU A 52 6.302 11.610 -0.955 1.00 0.00 C ATOM 0 H LEU A 52 4.598 11.533 -2.794 1.00 0.00 H new ATOM 0 HA LEU A 52 3.860 12.530 -0.316 1.00 0.00 H new ATOM 0 HB2 LEU A 52 4.841 14.192 -2.641 1.00 0.00 H new ATOM 0 HB3 LEU A 52 5.203 14.392 -0.937 1.00 0.00 H new ATOM 0 HG LEU A 52 6.334 12.445 -2.911 1.00 0.00 H new ATOM 0 HD11 LEU A 52 8.401 13.080 -1.738 1.00 0.00 H new ATOM 0 HD12 LEU A 52 7.509 14.507 -2.318 1.00 0.00 H new ATOM 0 HD13 LEU A 52 7.444 14.055 -0.598 1.00 0.00 H new ATOM 0 HD21 LEU A 52 7.218 11.038 -1.102 1.00 0.00 H new ATOM 0 HD22 LEU A 52 6.248 11.949 0.079 1.00 0.00 H new ATOM 0 HD23 LEU A 52 5.441 10.979 -1.175 1.00 0.00 H new ATOM 865 N THR A 53 2.182 13.907 -2.789 1.00 0.00 N ATOM 866 CA THR A 53 0.988 14.680 -3.102 1.00 0.00 C ATOM 867 C THR A 53 -0.260 13.932 -2.648 1.00 0.00 C ATOM 868 O THR A 53 -1.235 14.538 -2.204 1.00 0.00 O ATOM 869 CB THR A 53 0.913 14.962 -4.604 1.00 0.00 C ATOM 870 OG1 THR A 53 2.105 15.577 -5.059 1.00 0.00 O ATOM 871 CG2 THR A 53 -0.243 15.862 -4.986 1.00 0.00 C ATOM 0 H THR A 53 2.695 13.574 -3.605 1.00 0.00 H new ATOM 0 HA THR A 53 1.042 15.630 -2.570 1.00 0.00 H new ATOM 0 HB THR A 53 0.767 13.990 -5.074 1.00 0.00 H new ATOM 0 HG1 THR A 53 2.038 15.748 -6.022 1.00 0.00 H new ATOM 0 HG21 THR A 53 -0.239 16.022 -6.064 1.00 0.00 H new ATOM 0 HG22 THR A 53 -1.182 15.393 -4.693 1.00 0.00 H new ATOM 0 HG23 THR A 53 -0.142 16.820 -4.477 1.00 0.00 H new ATOM 879 N LYS A 54 -0.214 12.607 -2.755 1.00 0.00 N ATOM 880 CA LYS A 54 -1.333 11.767 -2.349 1.00 0.00 C ATOM 881 C LYS A 54 -1.538 11.843 -0.839 1.00 0.00 C ATOM 882 O LYS A 54 -2.669 11.892 -0.357 1.00 0.00 O ATOM 883 CB LYS A 54 -1.090 10.316 -2.772 1.00 0.00 C ATOM 884 CG LYS A 54 -2.308 9.423 -2.606 1.00 0.00 C ATOM 885 CD LYS A 54 -3.370 9.729 -3.650 1.00 0.00 C ATOM 886 CE LYS A 54 -3.049 9.070 -4.981 1.00 0.00 C ATOM 887 NZ LYS A 54 -4.020 9.457 -6.041 1.00 0.00 N ATOM 0 H LYS A 54 0.588 12.093 -3.120 1.00 0.00 H new ATOM 0 HA LYS A 54 -2.233 12.132 -2.843 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -0.776 10.298 -3.816 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -0.268 9.908 -2.185 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -2.008 8.378 -2.686 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -2.727 9.559 -1.609 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -4.341 9.382 -3.296 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -3.448 10.808 -3.786 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -2.042 9.350 -5.291 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -3.056 7.987 -4.861 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -3.766 8.986 -6.933 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -4.978 9.167 -5.757 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -3.996 10.488 -6.174 1.00 0.00 H new ATOM 901 N LEU A 55 -0.434 11.863 -0.100 1.00 0.00 N ATOM 902 CA LEU A 55 -0.488 11.944 1.355 1.00 0.00 C ATOM 903 C LEU A 55 -1.202 13.218 1.791 1.00 0.00 C ATOM 904 O LEU A 55 -2.104 13.188 2.628 1.00 0.00 O ATOM 905 CB LEU A 55 0.927 11.920 1.942 1.00 0.00 C ATOM 906 CG LEU A 55 1.695 10.600 1.786 1.00 0.00 C ATOM 907 CD1 LEU A 55 2.461 10.286 3.059 1.00 0.00 C ATOM 908 CD2 LEU A 55 0.760 9.450 1.442 1.00 0.00 C ATOM 0 H LEU A 55 0.510 11.824 -0.485 1.00 0.00 H new ATOM 0 HA LEU A 55 -1.043 11.082 1.725 1.00 0.00 H new ATOM 0 HB2 LEU A 55 1.508 12.714 1.472 1.00 0.00 H new ATOM 0 HB3 LEU A 55 0.863 12.158 3.004 1.00 0.00 H new ATOM 0 HG LEU A 55 2.399 10.719 0.962 1.00 0.00 H new ATOM 0 HD11 LEU A 55 3.002 9.348 2.936 1.00 0.00 H new ATOM 0 HD12 LEU A 55 3.169 11.089 3.265 1.00 0.00 H new ATOM 0 HD13 LEU A 55 1.763 10.196 3.891 1.00 0.00 H new ATOM 0 HD21 LEU A 55 1.337 8.531 1.339 1.00 0.00 H new ATOM 0 HD22 LEU A 55 0.024 9.329 2.237 1.00 0.00 H new ATOM 0 HD23 LEU A 55 0.249 9.665 0.504 1.00 0.00 H new ATOM 920 N GLY A 56 -0.787 14.338 1.209 1.00 0.00 N ATOM 921 CA GLY A 56 -1.381 15.620 1.536 1.00 0.00 C ATOM 922 C GLY A 56 -0.564 16.775 0.991 1.00 0.00 C ATOM 923 O GLY A 56 -0.560 17.027 -0.214 1.00 0.00 O ATOM 0 H GLY A 56 -0.044 14.380 0.511 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -2.392 15.666 1.130 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -1.468 15.715 2.618 1.00 0.00 H new ATOM 927 N ARG A 57 0.138 17.472 1.878 1.00 0.00 N ATOM 928 CA ARG A 57 0.976 18.595 1.477 1.00 0.00 C ATOM 929 C ARG A 57 2.157 18.754 2.423 1.00 0.00 C ATOM 930 O ARG A 57 2.686 19.851 2.598 1.00 0.00 O ATOM 931 CB ARG A 57 0.156 19.886 1.430 1.00 0.00 C ATOM 932 CG ARG A 57 -0.978 19.847 0.420 1.00 0.00 C ATOM 933 CD ARG A 57 -1.767 21.147 0.417 1.00 0.00 C ATOM 934 NE ARG A 57 -2.178 21.535 -0.931 1.00 0.00 N ATOM 935 CZ ARG A 57 -2.919 22.606 -1.200 1.00 0.00 C ATOM 936 NH1 ARG A 57 -3.334 23.399 -0.220 1.00 0.00 N ATOM 937 NH2 ARG A 57 -3.249 22.887 -2.453 1.00 0.00 N ATOM 0 H ARG A 57 0.143 17.279 2.879 1.00 0.00 H new ATOM 0 HA ARG A 57 1.362 18.390 0.478 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -0.256 20.081 2.420 1.00 0.00 H new ATOM 0 HB3 ARG A 57 0.817 20.719 1.190 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -0.574 19.663 -0.575 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -1.645 19.016 0.652 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -2.649 21.037 1.047 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -1.160 21.940 0.853 1.00 0.00 H new ATOM 0 HE ARG A 57 -1.879 20.950 -1.711 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -3.085 23.189 0.746 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -3.902 24.219 -0.433 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -2.935 22.282 -3.211 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -3.817 23.709 -2.659 1.00 0.00 H new ATOM 951 N ASP A 58 2.564 17.645 3.023 1.00 0.00 N ATOM 952 CA ASP A 58 3.680 17.635 3.948 1.00 0.00 C ATOM 953 C ASP A 58 4.761 16.673 3.460 1.00 0.00 C ATOM 954 O ASP A 58 4.841 16.363 2.272 1.00 0.00 O ATOM 955 CB ASP A 58 3.196 17.234 5.345 1.00 0.00 C ATOM 956 CG ASP A 58 3.862 18.042 6.442 1.00 0.00 C ATOM 957 OD1 ASP A 58 3.615 19.264 6.511 1.00 0.00 O ATOM 958 OD2 ASP A 58 4.630 17.453 7.231 1.00 0.00 O ATOM 0 H ASP A 58 2.130 16.733 2.881 1.00 0.00 H new ATOM 0 HA ASP A 58 4.108 18.636 4.000 1.00 0.00 H new ATOM 0 HB2 ASP A 58 2.116 17.367 5.404 1.00 0.00 H new ATOM 0 HB3 ASP A 58 3.396 16.175 5.506 1.00 0.00 H new ATOM 963 N THR A 59 5.581 16.203 4.387 1.00 0.00 N ATOM 964 CA THR A 59 6.654 15.269 4.066 1.00 0.00 C ATOM 965 C THR A 59 6.494 13.974 4.854 1.00 0.00 C ATOM 966 O THR A 59 5.787 13.935 5.861 1.00 0.00 O ATOM 967 CB THR A 59 8.015 15.899 4.367 1.00 0.00 C ATOM 968 OG1 THR A 59 9.059 14.968 4.145 1.00 0.00 O ATOM 969 CG2 THR A 59 8.141 16.400 5.789 1.00 0.00 C ATOM 0 H THR A 59 5.525 16.454 5.374 1.00 0.00 H new ATOM 0 HA THR A 59 6.598 15.038 3.002 1.00 0.00 H new ATOM 0 HB THR A 59 8.095 16.750 3.691 1.00 0.00 H new ATOM 0 HG1 THR A 59 9.921 15.390 4.341 1.00 0.00 H new ATOM 0 HG21 THR A 59 9.130 16.835 5.935 1.00 0.00 H new ATOM 0 HG22 THR A 59 7.380 17.158 5.977 1.00 0.00 H new ATOM 0 HG23 THR A 59 8.004 15.569 6.481 1.00 0.00 H new ATOM 977 N GLN A 60 7.159 12.918 4.397 1.00 0.00 N ATOM 978 CA GLN A 60 7.094 11.622 5.069 1.00 0.00 C ATOM 979 C GLN A 60 8.482 11.178 5.519 1.00 0.00 C ATOM 980 O GLN A 60 9.264 10.648 4.731 1.00 0.00 O ATOM 981 CB GLN A 60 6.490 10.571 4.140 1.00 0.00 C ATOM 982 CG GLN A 60 6.955 10.695 2.698 1.00 0.00 C ATOM 983 CD GLN A 60 6.374 9.618 1.804 1.00 0.00 C ATOM 984 OE1 GLN A 60 5.156 9.489 1.676 1.00 0.00 O ATOM 985 NE2 GLN A 60 7.246 8.834 1.181 1.00 0.00 N ATOM 0 H GLN A 60 7.749 12.932 3.565 1.00 0.00 H new ATOM 0 HA GLN A 60 6.458 11.727 5.948 1.00 0.00 H new ATOM 0 HB2 GLN A 60 6.746 9.579 4.512 1.00 0.00 H new ATOM 0 HB3 GLN A 60 5.403 10.652 4.171 1.00 0.00 H new ATOM 0 HG2 GLN A 60 6.672 11.674 2.312 1.00 0.00 H new ATOM 0 HG3 GLN A 60 8.043 10.641 2.665 1.00 0.00 H new ATOM 0 HE21 GLN A 60 8.247 8.976 1.316 1.00 0.00 H new ATOM 0 HE22 GLN A 60 6.915 8.089 0.568 1.00 0.00 H new ATOM 994 N ILE A 61 8.776 11.399 6.794 1.00 0.00 N ATOM 995 CA ILE A 61 10.066 11.031 7.365 1.00 0.00 C ATOM 996 C ILE A 61 10.117 9.557 7.736 1.00 0.00 C ATOM 997 O ILE A 61 9.815 9.179 8.868 1.00 0.00 O ATOM 998 CB ILE A 61 10.389 11.874 8.614 1.00 0.00 C ATOM 999 CG1 ILE A 61 10.198 13.363 8.319 1.00 0.00 C ATOM 1000 CG2 ILE A 61 11.810 11.601 9.085 1.00 0.00 C ATOM 1001 CD1 ILE A 61 9.824 14.177 9.539 1.00 0.00 C ATOM 0 H ILE A 61 8.134 11.834 7.456 1.00 0.00 H new ATOM 0 HA ILE A 61 10.812 11.228 6.595 1.00 0.00 H new ATOM 0 HB ILE A 61 9.701 11.591 9.410 1.00 0.00 H new ATOM 0 HG12 ILE A 61 11.119 13.762 7.894 1.00 0.00 H new ATOM 0 HG13 ILE A 61 9.422 13.479 7.563 1.00 0.00 H new ATOM 0 HG21 ILE A 61 12.023 12.204 9.968 1.00 0.00 H new ATOM 0 HG22 ILE A 61 11.914 10.545 9.333 1.00 0.00 H new ATOM 0 HG23 ILE A 61 12.512 11.859 8.292 1.00 0.00 H new ATOM 0 HD11 ILE A 61 9.705 15.223 9.256 1.00 0.00 H new ATOM 0 HD12 ILE A 61 8.887 13.804 9.952 1.00 0.00 H new ATOM 0 HD13 ILE A 61 10.611 14.091 10.289 1.00 0.00 H new ATOM 1013 N GLY A 62 10.511 8.730 6.779 1.00 0.00 N ATOM 1014 CA GLY A 62 10.608 7.306 7.027 1.00 0.00 C ATOM 1015 C GLY A 62 9.403 6.546 6.520 1.00 0.00 C ATOM 1016 O GLY A 62 9.004 5.539 7.106 1.00 0.00 O ATOM 0 H GLY A 62 10.765 9.019 5.835 1.00 0.00 H new ATOM 0 HA2 GLY A 62 11.507 6.917 6.548 1.00 0.00 H new ATOM 0 HA3 GLY A 62 10.718 7.134 8.098 1.00 0.00 H new ATOM 1020 N LEU A 63 8.818 7.027 5.427 1.00 0.00 N ATOM 1021 CA LEU A 63 7.650 6.380 4.838 1.00 0.00 C ATOM 1022 C LEU A 63 7.873 4.876 4.707 1.00 0.00 C ATOM 1023 O LEU A 63 8.825 4.433 4.064 1.00 0.00 O ATOM 1024 CB LEU A 63 7.341 6.986 3.467 1.00 0.00 C ATOM 1025 CG LEU A 63 5.970 6.624 2.891 1.00 0.00 C ATOM 1026 CD1 LEU A 63 5.943 5.166 2.469 1.00 0.00 C ATOM 1027 CD2 LEU A 63 4.871 6.912 3.903 1.00 0.00 C ATOM 0 H LEU A 63 9.133 7.861 4.932 1.00 0.00 H new ATOM 0 HA LEU A 63 6.799 6.547 5.499 1.00 0.00 H new ATOM 0 HB2 LEU A 63 7.411 8.071 3.543 1.00 0.00 H new ATOM 0 HB3 LEU A 63 8.109 6.665 2.764 1.00 0.00 H new ATOM 0 HG LEU A 63 5.790 7.241 2.010 1.00 0.00 H new ATOM 0 HD11 LEU A 63 4.962 4.923 2.061 1.00 0.00 H new ATOM 0 HD12 LEU A 63 6.705 4.993 1.709 1.00 0.00 H new ATOM 0 HD13 LEU A 63 6.143 4.533 3.334 1.00 0.00 H new ATOM 0 HD21 LEU A 63 3.904 6.648 3.475 1.00 0.00 H new ATOM 0 HD22 LEU A 63 5.042 6.322 4.804 1.00 0.00 H new ATOM 0 HD23 LEU A 63 4.878 7.972 4.156 1.00 0.00 H new ATOM 1039 N THR A 64 6.995 4.097 5.329 1.00 0.00 N ATOM 1040 CA THR A 64 7.104 2.645 5.288 1.00 0.00 C ATOM 1041 C THR A 64 6.084 2.040 4.328 1.00 0.00 C ATOM 1042 O THR A 64 5.011 2.601 4.107 1.00 0.00 O ATOM 1043 CB THR A 64 6.916 2.059 6.689 1.00 0.00 C ATOM 1044 OG1 THR A 64 5.977 2.819 7.430 1.00 0.00 O ATOM 1045 CG2 THR A 64 8.198 2.005 7.491 1.00 0.00 C ATOM 0 H THR A 64 6.202 4.447 5.866 1.00 0.00 H new ATOM 0 HA THR A 64 8.101 2.395 4.926 1.00 0.00 H new ATOM 0 HB THR A 64 6.562 1.040 6.531 1.00 0.00 H new ATOM 0 HG1 THR A 64 5.870 2.427 8.322 1.00 0.00 H new ATOM 0 HG21 THR A 64 7.995 1.580 8.474 1.00 0.00 H new ATOM 0 HG22 THR A 64 8.927 1.384 6.970 1.00 0.00 H new ATOM 0 HG23 THR A 64 8.597 3.013 7.607 1.00 0.00 H new ATOM 1053 N MET A 65 6.431 0.889 3.763 1.00 0.00 N ATOM 1054 CA MET A 65 5.554 0.199 2.829 1.00 0.00 C ATOM 1055 C MET A 65 5.053 -1.112 3.421 1.00 0.00 C ATOM 1056 O MET A 65 5.679 -1.675 4.318 1.00 0.00 O ATOM 1057 CB MET A 65 6.289 -0.068 1.514 1.00 0.00 C ATOM 1058 CG MET A 65 6.356 1.144 0.600 1.00 0.00 C ATOM 1059 SD MET A 65 7.402 2.451 1.266 1.00 0.00 S ATOM 1060 CE MET A 65 9.015 1.686 1.134 1.00 0.00 C ATOM 0 H MET A 65 7.317 0.414 3.937 1.00 0.00 H new ATOM 0 HA MET A 65 4.694 0.839 2.634 1.00 0.00 H new ATOM 0 HB2 MET A 65 7.302 -0.403 1.735 1.00 0.00 H new ATOM 0 HB3 MET A 65 5.792 -0.883 0.988 1.00 0.00 H new ATOM 0 HG2 MET A 65 6.736 0.840 -0.375 1.00 0.00 H new ATOM 0 HG3 MET A 65 5.350 1.533 0.442 1.00 0.00 H new ATOM 0 HE1 MET A 65 9.365 1.401 2.126 1.00 0.00 H new ATOM 0 HE2 MET A 65 8.947 0.799 0.504 1.00 0.00 H new ATOM 0 HE3 MET A 65 9.717 2.392 0.691 1.00 0.00 H new ATOM 1070 N PRO A 66 3.906 -1.612 2.934 1.00 0.00 N ATOM 1071 CA PRO A 66 3.125 -0.983 1.873 1.00 0.00 C ATOM 1072 C PRO A 66 2.135 0.051 2.408 1.00 0.00 C ATOM 1073 O PRO A 66 1.513 -0.152 3.450 1.00 0.00 O ATOM 1074 CB PRO A 66 2.367 -2.165 1.244 1.00 0.00 C ATOM 1075 CG PRO A 66 2.717 -3.365 2.070 1.00 0.00 C ATOM 1076 CD PRO A 66 3.270 -2.849 3.365 1.00 0.00 C ATOM 0 HA PRO A 66 3.758 -0.436 1.174 1.00 0.00 H new ATOM 0 HB2 PRO A 66 1.292 -1.987 1.250 1.00 0.00 H new ATOM 0 HB3 PRO A 66 2.660 -2.308 0.204 1.00 0.00 H new ATOM 0 HG2 PRO A 66 1.838 -3.985 2.244 1.00 0.00 H new ATOM 0 HG3 PRO A 66 3.450 -3.988 1.557 1.00 0.00 H new ATOM 0 HD2 PRO A 66 2.488 -2.673 4.104 1.00 0.00 H new ATOM 0 HD3 PRO A 66 3.982 -3.542 3.813 1.00 0.00 H new ATOM 1084 N GLN A 67 1.982 1.150 1.676 1.00 0.00 N ATOM 1085 CA GLN A 67 1.054 2.206 2.065 1.00 0.00 C ATOM 1086 C GLN A 67 -0.239 2.089 1.266 1.00 0.00 C ATOM 1087 O GLN A 67 -0.218 2.062 0.038 1.00 0.00 O ATOM 1088 CB GLN A 67 1.688 3.581 1.847 1.00 0.00 C ATOM 1089 CG GLN A 67 2.521 4.063 3.024 1.00 0.00 C ATOM 1090 CD GLN A 67 1.709 4.857 4.028 1.00 0.00 C ATOM 1091 OE1 GLN A 67 1.787 6.085 4.075 1.00 0.00 O ATOM 1092 NE2 GLN A 67 0.925 4.158 4.842 1.00 0.00 N ATOM 0 H GLN A 67 2.489 1.332 0.810 1.00 0.00 H new ATOM 0 HA GLN A 67 0.824 2.095 3.125 1.00 0.00 H new ATOM 0 HB2 GLN A 67 2.318 3.544 0.958 1.00 0.00 H new ATOM 0 HB3 GLN A 67 0.900 4.308 1.649 1.00 0.00 H new ATOM 0 HG2 GLN A 67 2.969 3.204 3.523 1.00 0.00 H new ATOM 0 HG3 GLN A 67 3.340 4.680 2.656 1.00 0.00 H new ATOM 0 HE21 GLN A 67 0.891 3.141 4.769 1.00 0.00 H new ATOM 0 HE22 GLN A 67 0.357 4.638 5.540 1.00 0.00 H new ATOM 1101 N VAL A 68 -1.366 1.991 1.961 1.00 0.00 N ATOM 1102 CA VAL A 68 -2.650 1.846 1.289 1.00 0.00 C ATOM 1103 C VAL A 68 -3.380 3.177 1.132 1.00 0.00 C ATOM 1104 O VAL A 68 -3.107 4.144 1.842 1.00 0.00 O ATOM 1105 CB VAL A 68 -3.567 0.852 2.029 1.00 0.00 C ATOM 1106 CG1 VAL A 68 -4.697 0.390 1.121 1.00 0.00 C ATOM 1107 CG2 VAL A 68 -2.767 -0.339 2.539 1.00 0.00 C ATOM 0 H VAL A 68 -1.417 2.009 2.980 1.00 0.00 H new ATOM 0 HA VAL A 68 -2.423 1.459 0.296 1.00 0.00 H new ATOM 0 HB VAL A 68 -4.004 1.362 2.887 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -5.334 -0.311 1.661 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -5.288 1.251 0.809 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -4.280 -0.101 0.242 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -3.432 -1.029 3.058 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -2.299 -0.850 1.698 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -1.996 0.008 3.227 1.00 0.00 H new ATOM 1117 N PHE A 69 -4.318 3.201 0.189 1.00 0.00 N ATOM 1118 CA PHE A 69 -5.111 4.390 -0.093 1.00 0.00 C ATOM 1119 C PHE A 69 -6.540 3.999 -0.455 1.00 0.00 C ATOM 1120 O PHE A 69 -6.770 2.954 -1.062 1.00 0.00 O ATOM 1121 CB PHE A 69 -4.495 5.177 -1.247 1.00 0.00 C ATOM 1122 CG PHE A 69 -3.211 5.858 -0.891 1.00 0.00 C ATOM 1123 CD1 PHE A 69 -3.220 7.068 -0.222 1.00 0.00 C ATOM 1124 CD2 PHE A 69 -1.996 5.287 -1.227 1.00 0.00 C ATOM 1125 CE1 PHE A 69 -2.039 7.699 0.106 1.00 0.00 C ATOM 1126 CE2 PHE A 69 -0.810 5.912 -0.903 1.00 0.00 C ATOM 1127 CZ PHE A 69 -0.831 7.121 -0.235 1.00 0.00 C ATOM 0 H PHE A 69 -4.548 2.399 -0.398 1.00 0.00 H new ATOM 0 HA PHE A 69 -5.123 5.013 0.801 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -4.318 4.501 -2.083 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -5.211 5.925 -1.588 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -4.162 7.523 0.046 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -1.976 4.342 -1.749 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -2.058 8.644 0.629 1.00 0.00 H new ATOM 0 HE2 PHE A 69 0.132 5.458 -1.171 1.00 0.00 H new ATOM 0 HZ PHE A 69 0.095 7.614 0.020 1.00 0.00 H new ATOM 1137 N ALA A 70 -7.496 4.841 -0.083 1.00 0.00 N ATOM 1138 CA ALA A 70 -8.899 4.573 -0.375 1.00 0.00 C ATOM 1139 C ALA A 70 -9.124 4.425 -1.880 1.00 0.00 C ATOM 1140 O ALA A 70 -8.348 4.944 -2.683 1.00 0.00 O ATOM 1141 CB ALA A 70 -9.774 5.684 0.186 1.00 0.00 C ATOM 0 H ALA A 70 -7.327 5.712 0.420 1.00 0.00 H new ATOM 0 HA ALA A 70 -9.175 3.633 0.103 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -10.819 5.472 -0.039 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -9.640 5.743 1.266 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -9.491 6.634 -0.267 1.00 0.00 H new ATOM 1147 N PRO A 71 -10.195 3.720 -2.284 1.00 0.00 N ATOM 1148 CA PRO A 71 -10.521 3.508 -3.697 1.00 0.00 C ATOM 1149 C PRO A 71 -11.078 4.764 -4.365 1.00 0.00 C ATOM 1150 O PRO A 71 -11.332 4.774 -5.569 1.00 0.00 O ATOM 1151 CB PRO A 71 -11.578 2.394 -3.673 1.00 0.00 C ATOM 1152 CG PRO A 71 -11.691 1.952 -2.247 1.00 0.00 C ATOM 1153 CD PRO A 71 -11.177 3.079 -1.404 1.00 0.00 C ATOM 0 HA PRO A 71 -9.634 3.250 -4.276 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -12.536 2.759 -4.044 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -11.283 1.564 -4.315 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -12.726 1.721 -1.995 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -11.111 1.045 -2.076 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -11.973 3.766 -1.118 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -10.720 2.719 -0.482 1.00 0.00 H new ATOM 1161 N ASP A 72 -11.260 5.824 -3.579 1.00 0.00 N ATOM 1162 CA ASP A 72 -11.780 7.084 -4.099 1.00 0.00 C ATOM 1163 C ASP A 72 -10.740 8.199 -3.990 1.00 0.00 C ATOM 1164 O ASP A 72 -10.928 9.287 -4.535 1.00 0.00 O ATOM 1165 CB ASP A 72 -13.051 7.483 -3.346 1.00 0.00 C ATOM 1166 CG ASP A 72 -12.876 7.414 -1.841 1.00 0.00 C ATOM 1167 OD1 ASP A 72 -12.109 8.236 -1.295 1.00 0.00 O ATOM 1168 OD2 ASP A 72 -13.504 6.540 -1.210 1.00 0.00 O ATOM 0 H ASP A 72 -11.055 5.834 -2.580 1.00 0.00 H new ATOM 0 HA ASP A 72 -12.016 6.939 -5.153 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -13.336 8.496 -3.630 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -13.868 6.827 -3.645 1.00 0.00 H new ATOM 1173 N GLY A 73 -9.643 7.928 -3.285 1.00 0.00 N ATOM 1174 CA GLY A 73 -8.602 8.925 -3.128 1.00 0.00 C ATOM 1175 C GLY A 73 -8.451 9.387 -1.691 1.00 0.00 C ATOM 1176 O GLY A 73 -9.085 10.355 -1.273 1.00 0.00 O ATOM 0 H GLY A 73 -9.459 7.038 -2.822 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -7.654 8.514 -3.475 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -8.828 9.784 -3.760 1.00 0.00 H new ATOM 1180 N SER A 74 -7.608 8.691 -0.932 1.00 0.00 N ATOM 1181 CA SER A 74 -7.374 9.037 0.467 1.00 0.00 C ATOM 1182 C SER A 74 -6.352 8.094 1.096 1.00 0.00 C ATOM 1183 O SER A 74 -6.215 6.945 0.681 1.00 0.00 O ATOM 1184 CB SER A 74 -8.685 8.984 1.254 1.00 0.00 C ATOM 1185 OG SER A 74 -8.448 9.084 2.648 1.00 0.00 O ATOM 0 H SER A 74 -7.076 7.885 -1.262 1.00 0.00 H new ATOM 0 HA SER A 74 -6.978 10.052 0.503 1.00 0.00 H new ATOM 0 HB2 SER A 74 -9.338 9.796 0.934 1.00 0.00 H new ATOM 0 HB3 SER A 74 -9.206 8.052 1.037 1.00 0.00 H new ATOM 0 HG SER A 74 -9.302 9.049 3.128 1.00 0.00 H new ATOM 1191 N HIS A 75 -5.635 8.590 2.100 1.00 0.00 N ATOM 1192 CA HIS A 75 -4.627 7.790 2.786 1.00 0.00 C ATOM 1193 C HIS A 75 -5.235 7.046 3.971 1.00 0.00 C ATOM 1194 O HIS A 75 -5.706 7.662 4.927 1.00 0.00 O ATOM 1195 CB HIS A 75 -3.480 8.682 3.264 1.00 0.00 C ATOM 1196 CG HIS A 75 -2.348 7.923 3.885 1.00 0.00 C ATOM 1197 ND1 HIS A 75 -1.655 8.350 4.995 1.00 0.00 N ATOM 1198 CD2 HIS A 75 -1.791 6.738 3.529 1.00 0.00 C ATOM 1199 CE1 HIS A 75 -0.717 7.434 5.272 1.00 0.00 C ATOM 1200 NE2 HIS A 75 -0.758 6.435 4.411 1.00 0.00 N ATOM 0 H HIS A 75 -5.733 9.541 2.456 1.00 0.00 H new ATOM 0 HA HIS A 75 -4.239 7.055 2.080 1.00 0.00 H new ATOM 0 HB2 HIS A 75 -3.101 9.256 2.419 1.00 0.00 H new ATOM 0 HB3 HIS A 75 -3.866 9.399 3.988 1.00 0.00 H new ATOM 0 HD1 HIS A 75 -1.825 9.211 5.515 1.00 0.00 H new ATOM 0 HD2 HIS A 75 -2.100 6.127 2.694 1.00 0.00 H new ATOM 0 HE1 HIS A 75 -0.019 7.504 6.093 1.00 0.00 H new ATOM 1208 N ILE A 76 -5.217 5.718 3.904 1.00 0.00 N ATOM 1209 CA ILE A 76 -5.764 4.893 4.976 1.00 0.00 C ATOM 1210 C ILE A 76 -4.662 4.432 5.923 1.00 0.00 C ATOM 1211 O ILE A 76 -4.791 4.541 7.142 1.00 0.00 O ATOM 1212 CB ILE A 76 -6.499 3.656 4.420 1.00 0.00 C ATOM 1213 CG1 ILE A 76 -7.595 4.081 3.443 1.00 0.00 C ATOM 1214 CG2 ILE A 76 -7.086 2.828 5.553 1.00 0.00 C ATOM 1215 CD1 ILE A 76 -7.952 3.005 2.441 1.00 0.00 C ATOM 0 H ILE A 76 -4.831 5.191 3.121 1.00 0.00 H new ATOM 0 HA ILE A 76 -6.477 5.512 5.520 1.00 0.00 H new ATOM 0 HB ILE A 76 -5.778 3.039 3.883 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -8.488 4.355 4.005 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -7.269 4.973 2.908 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -7.600 1.960 5.141 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -6.285 2.495 6.213 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -7.794 3.435 6.118 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -8.736 3.371 1.778 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -7.070 2.748 1.854 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -8.308 2.120 2.969 1.00 0.00 H new ATOM 1227 N GLY A 77 -3.581 3.913 5.353 1.00 0.00 N ATOM 1228 CA GLY A 77 -2.474 3.444 6.162 1.00 0.00 C ATOM 1229 C GLY A 77 -1.899 2.134 5.664 1.00 0.00 C ATOM 1230 O GLY A 77 -2.023 1.800 4.487 1.00 0.00 O ATOM 0 H GLY A 77 -3.452 3.809 4.347 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -1.689 4.201 6.170 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -2.809 3.321 7.192 1.00 0.00 H new ATOM 1234 N GLY A 78 -1.258 1.399 6.565 1.00 0.00 N ATOM 1235 CA GLY A 78 -0.660 0.126 6.201 1.00 0.00 C ATOM 1236 C GLY A 78 -1.590 -1.047 6.443 1.00 0.00 C ATOM 1237 O GLY A 78 -2.787 -0.968 6.161 1.00 0.00 O ATOM 0 H GLY A 78 -1.141 1.662 7.544 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -0.378 0.149 5.148 1.00 0.00 H new ATOM 0 HA3 GLY A 78 0.256 -0.018 6.774 1.00 0.00 H new ATOM 1241 N PHE A 79 -1.040 -2.140 6.964 1.00 0.00 N ATOM 1242 CA PHE A 79 -1.829 -3.336 7.240 1.00 0.00 C ATOM 1243 C PHE A 79 -2.767 -3.109 8.421 1.00 0.00 C ATOM 1244 O PHE A 79 -3.983 -3.015 8.251 1.00 0.00 O ATOM 1245 CB PHE A 79 -0.909 -4.526 7.522 1.00 0.00 C ATOM 1246 CG PHE A 79 -1.648 -5.807 7.793 1.00 0.00 C ATOM 1247 CD1 PHE A 79 -2.699 -6.203 6.980 1.00 0.00 C ATOM 1248 CD2 PHE A 79 -1.293 -6.613 8.863 1.00 0.00 C ATOM 1249 CE1 PHE A 79 -3.382 -7.378 7.231 1.00 0.00 C ATOM 1250 CE2 PHE A 79 -1.972 -7.789 9.119 1.00 0.00 C ATOM 1251 CZ PHE A 79 -3.018 -8.172 8.301 1.00 0.00 C ATOM 0 H PHE A 79 -0.052 -2.222 7.203 1.00 0.00 H new ATOM 0 HA PHE A 79 -2.432 -3.555 6.359 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -0.246 -4.672 6.669 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -0.278 -4.292 8.380 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -2.987 -5.586 6.141 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -0.476 -6.318 9.505 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -4.200 -7.675 6.591 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -1.686 -8.408 9.957 1.00 0.00 H new ATOM 0 HZ PHE A 79 -3.550 -9.091 8.498 1.00 0.00 H new ATOM 1261 N ASP A 80 -2.198 -3.016 9.620 1.00 0.00 N ATOM 1262 CA ASP A 80 -2.989 -2.795 10.826 1.00 0.00 C ATOM 1263 C ASP A 80 -3.772 -1.491 10.721 1.00 0.00 C ATOM 1264 O ASP A 80 -4.963 -1.437 11.039 1.00 0.00 O ATOM 1265 CB ASP A 80 -2.086 -2.763 12.061 1.00 0.00 C ATOM 1266 CG ASP A 80 -2.878 -2.688 13.352 1.00 0.00 C ATOM 1267 OD1 ASP A 80 -3.666 -1.732 13.510 1.00 0.00 O ATOM 1268 OD2 ASP A 80 -2.709 -3.584 14.205 1.00 0.00 O ATOM 0 H ASP A 80 -1.194 -3.090 9.782 1.00 0.00 H new ATOM 0 HA ASP A 80 -3.694 -3.620 10.927 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -1.459 -3.655 12.073 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -1.417 -1.904 11.997 1.00 0.00 H new ATOM 1273 N GLN A 81 -3.094 -0.441 10.267 1.00 0.00 N ATOM 1274 CA GLN A 81 -3.723 0.865 10.110 1.00 0.00 C ATOM 1275 C GLN A 81 -5.017 0.740 9.318 1.00 0.00 C ATOM 1276 O GLN A 81 -6.016 1.385 9.634 1.00 0.00 O ATOM 1277 CB GLN A 81 -2.771 1.830 9.403 1.00 0.00 C ATOM 1278 CG GLN A 81 -2.979 3.286 9.792 1.00 0.00 C ATOM 1279 CD GLN A 81 -1.721 4.118 9.628 1.00 0.00 C ATOM 1280 OE1 GLN A 81 -0.913 3.874 8.731 1.00 0.00 O ATOM 1281 NE2 GLN A 81 -1.550 5.107 10.496 1.00 0.00 N ATOM 0 H GLN A 81 -2.110 -0.470 10.002 1.00 0.00 H new ATOM 0 HA GLN A 81 -3.954 1.257 11.100 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -1.744 1.545 9.630 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -2.899 1.729 8.325 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -3.774 3.712 9.180 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -3.312 3.338 10.829 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -2.245 5.273 11.223 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -0.723 5.701 10.436 1.00 0.00 H new ATOM 1290 N LEU A 82 -4.992 -0.102 8.289 1.00 0.00 N ATOM 1291 CA LEU A 82 -6.167 -0.313 7.459 1.00 0.00 C ATOM 1292 C LEU A 82 -7.162 -1.246 8.137 1.00 0.00 C ATOM 1293 O LEU A 82 -8.369 -1.097 7.964 1.00 0.00 O ATOM 1294 CB LEU A 82 -5.787 -0.864 6.095 1.00 0.00 C ATOM 1295 CG LEU A 82 -6.983 -1.055 5.172 1.00 0.00 C ATOM 1296 CD1 LEU A 82 -6.663 -0.616 3.759 1.00 0.00 C ATOM 1297 CD2 LEU A 82 -7.436 -2.495 5.206 1.00 0.00 C ATOM 0 H LEU A 82 -4.174 -0.645 8.013 1.00 0.00 H new ATOM 0 HA LEU A 82 -6.641 0.659 7.321 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -5.075 -0.187 5.622 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -5.280 -1.820 6.225 1.00 0.00 H new ATOM 0 HG LEU A 82 -7.798 -0.425 5.529 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -7.537 -0.765 3.125 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -6.390 0.439 3.759 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -5.831 -1.206 3.374 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -8.292 -2.623 4.543 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -6.622 -3.140 4.876 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -7.722 -2.763 6.223 1.00 0.00 H new ATOM 1309 N ARG A 83 -6.662 -2.193 8.928 1.00 0.00 N ATOM 1310 CA ARG A 83 -7.544 -3.115 9.642 1.00 0.00 C ATOM 1311 C ARG A 83 -8.601 -2.315 10.393 1.00 0.00 C ATOM 1312 O ARG A 83 -9.733 -2.763 10.562 1.00 0.00 O ATOM 1313 CB ARG A 83 -6.745 -3.986 10.615 1.00 0.00 C ATOM 1314 CG ARG A 83 -6.441 -5.375 10.078 1.00 0.00 C ATOM 1315 CD ARG A 83 -5.371 -6.069 10.904 1.00 0.00 C ATOM 1316 NE ARG A 83 -5.936 -6.789 12.041 1.00 0.00 N ATOM 1317 CZ ARG A 83 -6.585 -7.946 11.936 1.00 0.00 C ATOM 1318 NH1 ARG A 83 -6.751 -8.517 10.749 1.00 0.00 N ATOM 1319 NH2 ARG A 83 -7.068 -8.536 13.022 1.00 0.00 N ATOM 0 H ARG A 83 -5.666 -2.342 9.090 1.00 0.00 H new ATOM 0 HA ARG A 83 -8.029 -3.775 8.922 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -5.807 -3.484 10.853 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -7.302 -4.080 11.547 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -7.351 -5.975 10.082 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -6.112 -5.302 9.042 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -4.820 -6.766 10.272 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -4.655 -5.330 11.263 1.00 0.00 H new ATOM 0 HE ARG A 83 -5.827 -6.382 12.970 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -6.380 -8.069 9.911 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -7.249 -9.404 10.675 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -6.942 -8.103 13.937 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -7.566 -9.423 12.942 1.00 0.00 H new ATOM 1333 N GLU A 84 -8.221 -1.110 10.813 1.00 0.00 N ATOM 1334 CA GLU A 84 -9.144 -0.226 11.509 1.00 0.00 C ATOM 1335 C GLU A 84 -10.232 0.219 10.542 1.00 0.00 C ATOM 1336 O GLU A 84 -11.396 0.362 10.916 1.00 0.00 O ATOM 1337 CB GLU A 84 -8.405 0.988 12.074 1.00 0.00 C ATOM 1338 CG GLU A 84 -8.980 1.493 13.388 1.00 0.00 C ATOM 1339 CD GLU A 84 -8.163 1.053 14.588 1.00 0.00 C ATOM 1340 OE1 GLU A 84 -8.425 -0.050 15.111 1.00 0.00 O ATOM 1341 OE2 GLU A 84 -7.262 1.812 15.003 1.00 0.00 O ATOM 0 H GLU A 84 -7.284 -0.728 10.683 1.00 0.00 H new ATOM 0 HA GLU A 84 -9.595 -0.763 12.343 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -7.357 0.728 12.222 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -8.434 1.794 11.341 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -9.028 2.582 13.365 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -10.002 1.131 13.496 1.00 0.00 H new ATOM 1348 N TYR A 85 -9.841 0.406 9.282 1.00 0.00 N ATOM 1349 CA TYR A 85 -10.772 0.798 8.238 1.00 0.00 C ATOM 1350 C TYR A 85 -11.821 -0.295 8.060 1.00 0.00 C ATOM 1351 O TYR A 85 -12.985 -0.021 7.775 1.00 0.00 O ATOM 1352 CB TYR A 85 -10.007 1.018 6.931 1.00 0.00 C ATOM 1353 CG TYR A 85 -10.816 1.670 5.834 1.00 0.00 C ATOM 1354 CD1 TYR A 85 -11.840 0.984 5.194 1.00 0.00 C ATOM 1355 CD2 TYR A 85 -10.544 2.970 5.428 1.00 0.00 C ATOM 1356 CE1 TYR A 85 -12.572 1.575 4.184 1.00 0.00 C ATOM 1357 CE2 TYR A 85 -11.270 3.568 4.418 1.00 0.00 C ATOM 1358 CZ TYR A 85 -12.283 2.868 3.799 1.00 0.00 C ATOM 1359 OH TYR A 85 -13.009 3.460 2.790 1.00 0.00 O ATOM 0 H TYR A 85 -8.879 0.290 8.964 1.00 0.00 H new ATOM 0 HA TYR A 85 -11.271 1.726 8.516 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -9.132 1.635 7.136 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -9.641 0.056 6.572 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -12.067 -0.029 5.492 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -9.751 3.522 5.911 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -13.367 1.028 3.698 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -11.045 4.580 4.114 1.00 0.00 H new ATOM 0 HH TYR A 85 -12.680 4.371 2.642 1.00 0.00 H new ATOM 1369 N PHE A 86 -11.385 -1.539 8.250 1.00 0.00 N ATOM 1370 CA PHE A 86 -12.257 -2.703 8.124 1.00 0.00 C ATOM 1371 C PHE A 86 -12.936 -3.034 9.451 1.00 0.00 C ATOM 1372 O PHE A 86 -14.143 -2.849 9.603 1.00 0.00 O ATOM 1373 CB PHE A 86 -11.440 -3.903 7.631 1.00 0.00 C ATOM 1374 CG PHE A 86 -11.236 -3.907 6.142 1.00 0.00 C ATOM 1375 CD1 PHE A 86 -12.287 -3.622 5.285 1.00 0.00 C ATOM 1376 CD2 PHE A 86 -9.991 -4.174 5.600 1.00 0.00 C ATOM 1377 CE1 PHE A 86 -12.098 -3.605 3.918 1.00 0.00 C ATOM 1378 CE2 PHE A 86 -9.796 -4.154 4.235 1.00 0.00 C ATOM 1379 CZ PHE A 86 -10.850 -3.869 3.392 1.00 0.00 C ATOM 0 H PHE A 86 -10.421 -1.767 8.495 1.00 0.00 H new ATOM 0 HA PHE A 86 -13.039 -2.472 7.401 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -10.468 -3.900 8.125 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -11.944 -4.823 7.925 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -13.265 -3.411 5.691 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -9.162 -4.401 6.254 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -12.926 -3.385 3.261 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -8.818 -4.361 3.826 1.00 0.00 H new ATOM 0 HZ PHE A 86 -10.699 -3.853 2.323 1.00 0.00 H new ATOM 1389 N LYS A 87 -12.153 -3.522 10.408 1.00 0.00 N ATOM 1390 CA LYS A 87 -12.682 -3.876 11.720 1.00 0.00 C ATOM 1391 C LYS A 87 -13.152 -2.635 12.471 1.00 0.00 C ATOM 1392 O LYS A 87 -12.297 -1.789 12.807 1.00 0.00 O ATOM 1393 CB LYS A 87 -11.619 -4.610 12.539 1.00 0.00 C ATOM 1394 CG LYS A 87 -11.461 -6.074 12.159 1.00 0.00 C ATOM 1395 CD LYS A 87 -12.591 -6.921 12.720 1.00 0.00 C ATOM 1396 CE LYS A 87 -12.272 -8.404 12.634 1.00 0.00 C ATOM 1397 NZ LYS A 87 -13.483 -9.217 12.335 1.00 0.00 N ATOM 1398 OXT LYS A 87 -14.371 -2.519 12.717 1.00 0.00 O ATOM 0 H LYS A 87 -11.151 -3.681 10.300 1.00 0.00 H new ATOM 0 HA LYS A 87 -13.538 -4.535 11.573 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -10.661 -4.105 12.412 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -11.877 -4.543 13.596 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -11.439 -6.169 11.073 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -10.507 -6.446 12.531 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -12.771 -6.646 13.759 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -13.510 -6.713 12.171 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -11.523 -8.570 11.859 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -11.835 -8.736 13.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -13.222 -10.223 12.285 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -14.188 -9.079 13.087 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -13.886 -8.918 11.424 1.00 0.00 H new TER 1412 LYS A 87