USER MOD reduce.3.24.130724 H: found=0, std=0, add=425, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 423 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 49 THR OG1 : rot -62:sc= 1.54 USER MOD Set 1.2: A 51 THR OG1 : rot 119:sc= 1.24 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -161:sc= -0.0152 (180deg=-0.256) USER MOD Single : A 2 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 ASN : amide:sc= -0.126 X(o=-0.13,f=-2.9e-05) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ -108:sc= 0.582 (180deg=-0.147) USER MOD Single : A 16 THR OG1 : rot 180:sc= -0.122 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= -0.086 USER MOD Single : A 19 LYS NZ :NH3+ -111:sc= -0.327 (180deg=-1.35) USER MOD Single : A 25 THR OG1 : rot 82:sc= 0.262 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 GLN : amide:sc= -0.0915 K(o=-0.091,f=-0.64) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= -0.0815 K(o=-0.081,f=-1.2) USER MOD Single : A 37 ASN :FLIP amide:sc= -2.58 F(o=-3.2!,f=-2.6) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 0.994 1.694 -2.015 1.00 0.00 N ATOM 2 CA MET A 1 1.581 0.480 -1.462 1.00 0.00 C ATOM 3 C MET A 1 3.081 0.652 -1.242 1.00 0.00 C ATOM 4 O MET A 1 3.892 0.139 -2.012 1.00 0.00 O ATOM 5 CB MET A 1 1.323 -0.707 -2.393 1.00 0.00 C ATOM 6 CG MET A 1 -0.132 -1.146 -2.429 1.00 0.00 C ATOM 7 SD MET A 1 -0.501 -2.211 -3.836 1.00 0.00 S ATOM 8 CE MET A 1 -2.166 -2.735 -3.437 1.00 0.00 C ATOM 0 H1 MET A 1 -0.034 1.684 -1.860 1.00 0.00 H new ATOM 0 H2 MET A 1 1.407 2.525 -1.545 1.00 0.00 H new ATOM 0 H3 MET A 1 1.190 1.741 -3.035 1.00 0.00 H new ATOM 0 HA MET A 1 1.111 0.286 -0.498 1.00 0.00 H new ATOM 0 HB2 MET A 1 1.639 -0.442 -3.402 1.00 0.00 H new ATOM 0 HB3 MET A 1 1.940 -1.548 -2.076 1.00 0.00 H new ATOM 0 HG2 MET A 1 -0.371 -1.674 -1.506 1.00 0.00 H new ATOM 0 HG3 MET A 1 -0.773 -0.265 -2.467 1.00 0.00 H new ATOM 0 HE1 MET A 1 -2.534 -3.402 -4.217 1.00 0.00 H new ATOM 0 HE2 MET A 1 -2.163 -3.260 -2.482 1.00 0.00 H new ATOM 0 HE3 MET A 1 -2.816 -1.862 -3.369 1.00 0.00 H new ATOM 18 N GLN A 2 3.440 1.376 -0.187 1.00 0.00 N ATOM 19 CA GLN A 2 4.842 1.615 0.133 1.00 0.00 C ATOM 20 C GLN A 2 5.029 1.838 1.630 1.00 0.00 C ATOM 21 O GLN A 2 4.431 2.743 2.212 1.00 0.00 O ATOM 22 CB GLN A 2 5.365 2.825 -0.644 1.00 0.00 C ATOM 23 CG GLN A 2 6.582 2.518 -1.501 1.00 0.00 C ATOM 24 CD GLN A 2 7.267 3.770 -2.012 1.00 0.00 C ATOM 25 OE1 GLN A 2 6.800 4.886 -1.779 1.00 0.00 O ATOM 26 NE2 GLN A 2 8.380 3.592 -2.714 1.00 0.00 N ATOM 0 H GLN A 2 2.780 1.807 0.460 1.00 0.00 H new ATOM 0 HA GLN A 2 5.410 0.731 -0.158 1.00 0.00 H new ATOM 0 HB2 GLN A 2 4.569 3.208 -1.282 1.00 0.00 H new ATOM 0 HB3 GLN A 2 5.618 3.617 0.061 1.00 0.00 H new ATOM 0 HG2 GLN A 2 7.293 1.931 -0.919 1.00 0.00 H new ATOM 0 HG3 GLN A 2 6.279 1.903 -2.348 1.00 0.00 H new ATOM 0 HE21 GLN A 2 8.731 2.649 -2.883 1.00 0.00 H new ATOM 0 HE22 GLN A 2 8.884 4.398 -3.084 1.00 0.00 H new ATOM 35 N TYR A 3 5.862 1.007 2.247 1.00 0.00 N ATOM 36 CA TYR A 3 6.125 1.112 3.678 1.00 0.00 C ATOM 37 C TYR A 3 7.464 1.795 3.936 1.00 0.00 C ATOM 38 O TYR A 3 8.182 2.155 3.003 1.00 0.00 O ATOM 39 CB TYR A 3 6.114 -0.275 4.322 1.00 0.00 C ATOM 40 CG TYR A 3 4.740 -0.902 4.388 1.00 0.00 C ATOM 41 CD1 TYR A 3 4.050 -1.233 3.228 1.00 0.00 C ATOM 42 CD2 TYR A 3 4.131 -1.163 5.609 1.00 0.00 C ATOM 43 CE1 TYR A 3 2.794 -1.805 3.282 1.00 0.00 C ATOM 44 CE2 TYR A 3 2.876 -1.737 5.673 1.00 0.00 C ATOM 45 CZ TYR A 3 2.211 -2.055 4.507 1.00 0.00 C ATOM 46 OH TYR A 3 0.960 -2.625 4.567 1.00 0.00 O ATOM 0 H TYR A 3 6.366 0.254 1.779 1.00 0.00 H new ATOM 0 HA TYR A 3 5.337 1.718 4.124 1.00 0.00 H new ATOM 0 HB2 TYR A 3 6.777 -0.932 3.760 1.00 0.00 H new ATOM 0 HB3 TYR A 3 6.519 -0.201 5.331 1.00 0.00 H new ATOM 0 HD1 TYR A 3 4.504 -1.040 2.267 1.00 0.00 H new ATOM 0 HD2 TYR A 3 4.648 -0.913 6.524 1.00 0.00 H new ATOM 0 HE1 TYR A 3 2.271 -2.055 2.371 1.00 0.00 H new ATOM 0 HE2 TYR A 3 2.418 -1.936 6.631 1.00 0.00 H new ATOM 0 HH TYR A 3 0.695 -2.735 5.504 1.00 0.00 H new ATOM 56 N LYS A 4 7.795 1.970 5.211 1.00 0.00 N ATOM 57 CA LYS A 4 9.048 2.608 5.597 1.00 0.00 C ATOM 58 C LYS A 4 9.703 1.865 6.757 1.00 0.00 C ATOM 59 O LYS A 4 9.036 1.489 7.722 1.00 0.00 O ATOM 60 CB LYS A 4 8.803 4.068 5.985 1.00 0.00 C ATOM 61 CG LYS A 4 9.490 5.065 5.069 1.00 0.00 C ATOM 62 CD LYS A 4 10.977 4.777 4.947 1.00 0.00 C ATOM 63 CE LYS A 4 11.809 6.024 5.207 1.00 0.00 C ATOM 64 NZ LYS A 4 11.998 6.833 3.971 1.00 0.00 N ATOM 0 H LYS A 4 7.212 1.678 5.995 1.00 0.00 H new ATOM 0 HA LYS A 4 9.722 2.574 4.741 1.00 0.00 H new ATOM 0 HB2 LYS A 4 7.730 4.261 5.979 1.00 0.00 H new ATOM 0 HB3 LYS A 4 9.150 4.227 7.006 1.00 0.00 H new ATOM 0 HG2 LYS A 4 9.030 5.031 4.082 1.00 0.00 H new ATOM 0 HG3 LYS A 4 9.344 6.074 5.454 1.00 0.00 H new ATOM 0 HD2 LYS A 4 11.257 3.997 5.655 1.00 0.00 H new ATOM 0 HD3 LYS A 4 11.194 4.395 3.950 1.00 0.00 H new ATOM 0 HE2 LYS A 4 11.322 6.633 5.969 1.00 0.00 H new ATOM 0 HE3 LYS A 4 12.782 5.735 5.604 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 12.570 7.674 4.190 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 12.485 6.260 3.253 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 11.071 7.131 3.606 1.00 0.00 H new ATOM 78 N LEU A 5 11.011 1.657 6.657 1.00 0.00 N ATOM 79 CA LEU A 5 11.757 0.960 7.700 1.00 0.00 C ATOM 80 C LEU A 5 12.984 1.762 8.120 1.00 0.00 C ATOM 81 O LEU A 5 13.775 2.192 7.280 1.00 0.00 O ATOM 82 CB LEU A 5 12.181 -0.426 7.211 1.00 0.00 C ATOM 83 CG LEU A 5 12.857 -1.325 8.246 1.00 0.00 C ATOM 84 CD1 LEU A 5 11.884 -1.680 9.360 1.00 0.00 C ATOM 85 CD2 LEU A 5 13.398 -2.585 7.587 1.00 0.00 C ATOM 0 H LEU A 5 11.577 1.961 5.865 1.00 0.00 H new ATOM 0 HA LEU A 5 11.105 0.849 8.567 1.00 0.00 H new ATOM 0 HB2 LEU A 5 11.298 -0.942 6.833 1.00 0.00 H new ATOM 0 HB3 LEU A 5 12.862 -0.300 6.369 1.00 0.00 H new ATOM 0 HG LEU A 5 13.694 -0.779 8.682 1.00 0.00 H new ATOM 0 HD11 LEU A 5 12.382 -2.320 10.088 1.00 0.00 H new ATOM 0 HD12 LEU A 5 11.545 -0.768 9.851 1.00 0.00 H new ATOM 0 HD13 LEU A 5 11.027 -2.206 8.940 1.00 0.00 H new ATOM 0 HD21 LEU A 5 13.876 -3.213 8.339 1.00 0.00 H new ATOM 0 HD22 LEU A 5 12.578 -3.134 7.124 1.00 0.00 H new ATOM 0 HD23 LEU A 5 14.128 -2.312 6.825 1.00 0.00 H new ATOM 97 N VAL A 6 13.139 1.958 9.426 1.00 0.00 N ATOM 98 CA VAL A 6 14.272 2.705 9.958 1.00 0.00 C ATOM 99 C VAL A 6 15.039 1.881 10.986 1.00 0.00 C ATOM 100 O VAL A 6 14.503 1.527 12.037 1.00 0.00 O ATOM 101 CB VAL A 6 13.818 4.025 10.609 1.00 0.00 C ATOM 102 CG1 VAL A 6 15.009 4.771 11.191 1.00 0.00 C ATOM 103 CG2 VAL A 6 13.078 4.889 9.600 1.00 0.00 C ATOM 0 H VAL A 6 12.494 1.609 10.135 1.00 0.00 H new ATOM 0 HA VAL A 6 14.926 2.930 9.116 1.00 0.00 H new ATOM 0 HB VAL A 6 13.133 3.791 11.424 1.00 0.00 H new ATOM 0 HG11 VAL A 6 14.669 5.701 11.647 1.00 0.00 H new ATOM 0 HG12 VAL A 6 15.492 4.152 11.947 1.00 0.00 H new ATOM 0 HG13 VAL A 6 15.721 4.995 10.397 1.00 0.00 H new ATOM 0 HG21 VAL A 6 12.764 5.818 10.077 1.00 0.00 H new ATOM 0 HG22 VAL A 6 13.737 5.116 8.762 1.00 0.00 H new ATOM 0 HG23 VAL A 6 12.201 4.354 9.237 1.00 0.00 H new ATOM 113 N ILE A 7 16.295 1.580 10.677 1.00 0.00 N ATOM 114 CA ILE A 7 17.137 0.799 11.575 1.00 0.00 C ATOM 115 C ILE A 7 18.053 1.702 12.393 1.00 0.00 C ATOM 116 O ILE A 7 18.968 2.325 11.857 1.00 0.00 O ATOM 117 CB ILE A 7 17.995 -0.218 10.800 1.00 0.00 C ATOM 118 CG1 ILE A 7 17.101 -1.188 10.025 1.00 0.00 C ATOM 119 CG2 ILE A 7 18.908 -0.976 11.753 1.00 0.00 C ATOM 120 CD1 ILE A 7 17.636 -1.541 8.655 1.00 0.00 C ATOM 0 H ILE A 7 16.753 1.865 9.811 1.00 0.00 H new ATOM 0 HA ILE A 7 16.468 0.260 12.246 1.00 0.00 H new ATOM 0 HB ILE A 7 18.616 0.323 10.086 1.00 0.00 H new ATOM 0 HG12 ILE A 7 16.982 -2.102 10.606 1.00 0.00 H new ATOM 0 HG13 ILE A 7 16.110 -0.748 9.917 1.00 0.00 H new ATOM 0 HG21 ILE A 7 19.508 -1.691 11.190 1.00 0.00 H new ATOM 0 HG22 ILE A 7 19.566 -0.273 12.263 1.00 0.00 H new ATOM 0 HG23 ILE A 7 18.305 -1.508 12.489 1.00 0.00 H new ATOM 0 HD11 ILE A 7 16.951 -2.232 8.164 1.00 0.00 H new ATOM 0 HD12 ILE A 7 17.729 -0.635 8.056 1.00 0.00 H new ATOM 0 HD13 ILE A 7 18.614 -2.011 8.756 1.00 0.00 H new ATOM 132 N ASN A 8 17.802 1.765 13.697 1.00 0.00 N ATOM 133 CA ASN A 8 18.605 2.591 14.591 1.00 0.00 C ATOM 134 C ASN A 8 19.389 1.726 15.573 1.00 0.00 C ATOM 135 O ASN A 8 19.141 1.756 16.778 1.00 0.00 O ATOM 136 CB ASN A 8 17.712 3.569 15.356 1.00 0.00 C ATOM 137 CG ASN A 8 17.552 4.893 14.633 1.00 0.00 C ATOM 138 OD1 ASN A 8 16.438 5.302 14.304 1.00 0.00 O ATOM 139 ND2 ASN A 8 18.667 5.568 14.383 1.00 0.00 N ATOM 0 H ASN A 8 17.049 1.254 14.158 1.00 0.00 H new ATOM 0 HA ASN A 8 19.314 3.155 13.985 1.00 0.00 H new ATOM 0 HB2 ASN A 8 16.731 3.119 15.506 1.00 0.00 H new ATOM 0 HB3 ASN A 8 18.136 3.747 16.344 1.00 0.00 H new ATOM 0 HD21 ASN A 8 18.623 6.465 13.899 1.00 0.00 H new ATOM 0 HD22 ASN A 8 19.568 5.190 14.674 1.00 0.00 H new ATOM 146 N GLY A 9 20.337 0.955 15.049 1.00 0.00 N ATOM 147 CA GLY A 9 21.143 0.092 15.893 1.00 0.00 C ATOM 148 C GLY A 9 22.274 0.838 16.573 1.00 0.00 C ATOM 149 O GLY A 9 22.876 1.737 15.985 1.00 0.00 O ATOM 0 H GLY A 9 20.561 0.913 14.055 1.00 0.00 H new ATOM 0 HA2 GLY A 9 20.507 -0.367 16.650 1.00 0.00 H new ATOM 0 HA3 GLY A 9 21.556 -0.717 15.291 1.00 0.00 H new ATOM 153 N LYS A 10 22.563 0.467 17.815 1.00 0.00 N ATOM 154 CA LYS A 10 23.629 1.107 18.577 1.00 0.00 C ATOM 155 C LYS A 10 24.928 1.136 17.777 1.00 0.00 C ATOM 156 O LYS A 10 25.756 2.031 17.950 1.00 0.00 O ATOM 157 CB LYS A 10 23.849 0.373 19.901 1.00 0.00 C ATOM 158 CG LYS A 10 24.562 1.209 20.950 1.00 0.00 C ATOM 159 CD LYS A 10 25.339 0.339 21.923 1.00 0.00 C ATOM 160 CE LYS A 10 26.045 1.177 22.979 1.00 0.00 C ATOM 161 NZ LYS A 10 25.424 1.014 24.322 1.00 0.00 N ATOM 0 H LYS A 10 22.074 -0.274 18.316 1.00 0.00 H new ATOM 0 HA LYS A 10 23.328 2.134 18.784 1.00 0.00 H new ATOM 0 HB2 LYS A 10 22.884 0.056 20.296 1.00 0.00 H new ATOM 0 HB3 LYS A 10 24.429 -0.531 19.714 1.00 0.00 H new ATOM 0 HG2 LYS A 10 25.242 1.906 20.460 1.00 0.00 H new ATOM 0 HG3 LYS A 10 23.833 1.807 21.497 1.00 0.00 H new ATOM 0 HD2 LYS A 10 24.660 -0.362 22.408 1.00 0.00 H new ATOM 0 HD3 LYS A 10 26.073 -0.254 21.377 1.00 0.00 H new ATOM 0 HE2 LYS A 10 27.096 0.891 23.027 1.00 0.00 H new ATOM 0 HE3 LYS A 10 26.014 2.227 22.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 25.933 1.601 25.013 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 24.428 1.311 24.282 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 25.476 0.016 24.610 1.00 0.00 H new ATOM 175 N THR A 11 25.100 0.152 16.901 1.00 0.00 N ATOM 176 CA THR A 11 26.297 0.065 16.074 1.00 0.00 C ATOM 177 C THR A 11 25.952 0.175 14.594 1.00 0.00 C ATOM 178 O THR A 11 26.623 0.883 13.841 1.00 0.00 O ATOM 179 CB THR A 11 27.052 -1.256 16.317 1.00 0.00 C ATOM 180 OG1 THR A 11 26.174 -2.368 16.110 1.00 0.00 O ATOM 181 CG2 THR A 11 27.617 -1.305 17.729 1.00 0.00 C ATOM 0 H THR A 11 24.425 -0.597 16.746 1.00 0.00 H new ATOM 0 HA THR A 11 26.939 0.899 16.357 1.00 0.00 H new ATOM 0 HB THR A 11 27.879 -1.311 15.610 1.00 0.00 H new ATOM 0 HG1 THR A 11 26.662 -3.204 16.265 1.00 0.00 H new ATOM 0 HG21 THR A 11 28.146 -2.247 17.877 1.00 0.00 H new ATOM 0 HG22 THR A 11 28.308 -0.474 17.873 1.00 0.00 H new ATOM 0 HG23 THR A 11 26.803 -1.229 18.450 1.00 0.00 H new ATOM 189 N LEU A 12 24.903 -0.528 14.181 1.00 0.00 N ATOM 190 CA LEU A 12 24.469 -0.509 12.789 1.00 0.00 C ATOM 191 C LEU A 12 23.237 0.374 12.615 1.00 0.00 C ATOM 192 O LEU A 12 22.183 0.108 13.193 1.00 0.00 O ATOM 193 CB LEU A 12 24.164 -1.929 12.309 1.00 0.00 C ATOM 194 CG LEU A 12 23.339 -2.042 11.027 1.00 0.00 C ATOM 195 CD1 LEU A 12 23.886 -1.110 9.956 1.00 0.00 C ATOM 196 CD2 LEU A 12 23.322 -3.479 10.528 1.00 0.00 C ATOM 0 H LEU A 12 24.337 -1.118 14.791 1.00 0.00 H new ATOM 0 HA LEU A 12 25.279 -0.095 12.188 1.00 0.00 H new ATOM 0 HB2 LEU A 12 25.109 -2.450 12.156 1.00 0.00 H new ATOM 0 HB3 LEU A 12 23.636 -2.454 13.105 1.00 0.00 H new ATOM 0 HG LEU A 12 22.314 -1.744 11.250 1.00 0.00 H new ATOM 0 HD11 LEU A 12 23.286 -1.204 9.051 1.00 0.00 H new ATOM 0 HD12 LEU A 12 23.845 -0.081 10.313 1.00 0.00 H new ATOM 0 HD13 LEU A 12 24.920 -1.376 9.736 1.00 0.00 H new ATOM 0 HD21 LEU A 12 22.730 -3.540 9.615 1.00 0.00 H new ATOM 0 HD22 LEU A 12 24.342 -3.805 10.322 1.00 0.00 H new ATOM 0 HD23 LEU A 12 22.882 -4.123 11.289 1.00 0.00 H new ATOM 208 N LYS A 13 23.376 1.425 11.814 1.00 0.00 N ATOM 209 CA LYS A 13 22.275 2.346 11.560 1.00 0.00 C ATOM 210 C LYS A 13 22.048 2.523 10.062 1.00 0.00 C ATOM 211 O LYS A 13 22.995 2.709 9.299 1.00 0.00 O ATOM 212 CB LYS A 13 22.558 3.703 12.209 1.00 0.00 C ATOM 213 CG LYS A 13 21.681 3.996 13.414 1.00 0.00 C ATOM 214 CD LYS A 13 22.244 5.133 14.249 1.00 0.00 C ATOM 215 CE LYS A 13 22.502 4.697 15.683 1.00 0.00 C ATOM 216 NZ LYS A 13 23.935 4.360 15.912 1.00 0.00 N ATOM 0 H LYS A 13 24.242 1.660 11.329 1.00 0.00 H new ATOM 0 HA LYS A 13 21.371 1.923 11.998 1.00 0.00 H new ATOM 0 HB2 LYS A 13 23.604 3.739 12.514 1.00 0.00 H new ATOM 0 HB3 LYS A 13 22.415 4.488 11.467 1.00 0.00 H new ATOM 0 HG2 LYS A 13 20.676 4.252 13.080 1.00 0.00 H new ATOM 0 HG3 LYS A 13 21.594 3.100 14.029 1.00 0.00 H new ATOM 0 HD2 LYS A 13 23.173 5.488 13.803 1.00 0.00 H new ATOM 0 HD3 LYS A 13 21.547 5.971 14.242 1.00 0.00 H new ATOM 0 HE2 LYS A 13 22.203 5.494 16.364 1.00 0.00 H new ATOM 0 HE3 LYS A 13 21.884 3.830 15.916 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 24.037 3.330 16.016 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 24.502 4.684 15.102 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 24.268 4.830 16.778 1.00 0.00 H new ATOM 230 N GLY A 14 20.786 2.466 9.649 1.00 0.00 N ATOM 231 CA GLY A 14 20.458 2.624 8.244 1.00 0.00 C ATOM 232 C GLY A 14 18.966 2.749 8.007 1.00 0.00 C ATOM 233 O GLY A 14 18.203 3.002 8.939 1.00 0.00 O ATOM 0 H GLY A 14 19.985 2.313 10.262 1.00 0.00 H new ATOM 0 HA2 GLY A 14 20.960 3.510 7.854 1.00 0.00 H new ATOM 0 HA3 GLY A 14 20.841 1.769 7.686 1.00 0.00 H new ATOM 237 N GLU A 15 18.550 2.574 6.757 1.00 0.00 N ATOM 238 CA GLU A 15 17.139 2.672 6.401 1.00 0.00 C ATOM 239 C GLU A 15 16.823 1.807 5.184 1.00 0.00 C ATOM 240 O GLU A 15 17.724 1.377 4.462 1.00 0.00 O ATOM 241 CB GLU A 15 16.761 4.127 6.118 1.00 0.00 C ATOM 242 CG GLU A 15 15.382 4.508 6.629 1.00 0.00 C ATOM 243 CD GLU A 15 15.093 5.989 6.480 1.00 0.00 C ATOM 244 OE1 GLU A 15 15.632 6.606 5.537 1.00 0.00 O ATOM 245 OE2 GLU A 15 14.328 6.532 7.304 1.00 0.00 O ATOM 0 H GLU A 15 19.169 2.364 5.974 1.00 0.00 H new ATOM 0 HA GLU A 15 16.552 2.309 7.245 1.00 0.00 H new ATOM 0 HB2 GLU A 15 17.503 4.782 6.576 1.00 0.00 H new ATOM 0 HB3 GLU A 15 16.802 4.302 5.043 1.00 0.00 H new ATOM 0 HG2 GLU A 15 14.628 3.938 6.087 1.00 0.00 H new ATOM 0 HG3 GLU A 15 15.298 4.229 7.679 1.00 0.00 H new ATOM 252 N THR A 16 15.537 1.555 4.962 1.00 0.00 N ATOM 253 CA THR A 16 15.101 0.740 3.834 1.00 0.00 C ATOM 254 C THR A 16 13.580 0.690 3.748 1.00 0.00 C ATOM 255 O THR A 16 12.880 1.196 4.626 1.00 0.00 O ATOM 256 CB THR A 16 15.647 -0.697 3.936 1.00 0.00 C ATOM 257 OG1 THR A 16 15.355 -1.417 2.733 1.00 0.00 O ATOM 258 CG2 THR A 16 15.041 -1.423 5.127 1.00 0.00 C ATOM 0 H THR A 16 14.779 1.904 5.548 1.00 0.00 H new ATOM 0 HA THR A 16 15.497 1.208 2.933 1.00 0.00 H new ATOM 0 HB THR A 16 16.727 -0.644 4.075 1.00 0.00 H new ATOM 0 HG1 THR A 16 15.706 -2.329 2.804 1.00 0.00 H new ATOM 0 HG21 THR A 16 15.442 -2.435 5.178 1.00 0.00 H new ATOM 0 HG22 THR A 16 15.289 -0.888 6.044 1.00 0.00 H new ATOM 0 HG23 THR A 16 13.958 -1.467 5.014 1.00 0.00 H new ATOM 266 N THR A 17 13.073 0.074 2.684 1.00 0.00 N ATOM 267 CA THR A 17 11.634 -0.042 2.483 1.00 0.00 C ATOM 268 C THR A 17 11.274 -1.381 1.849 1.00 0.00 C ATOM 269 O THR A 17 12.144 -2.104 1.362 1.00 0.00 O ATOM 270 CB THR A 17 11.097 1.095 1.594 1.00 0.00 C ATOM 271 OG1 THR A 17 11.756 1.076 0.322 1.00 0.00 O ATOM 272 CG2 THR A 17 11.307 2.447 2.259 1.00 0.00 C ATOM 0 H THR A 17 13.638 -0.352 1.949 1.00 0.00 H new ATOM 0 HA THR A 17 11.171 0.027 3.467 1.00 0.00 H new ATOM 0 HB THR A 17 10.028 0.940 1.451 1.00 0.00 H new ATOM 0 HG1 THR A 17 11.408 1.801 -0.238 1.00 0.00 H new ATOM 0 HG21 THR A 17 10.920 3.235 1.612 1.00 0.00 H new ATOM 0 HG22 THR A 17 10.780 2.469 3.213 1.00 0.00 H new ATOM 0 HG23 THR A 17 12.372 2.608 2.429 1.00 0.00 H new ATOM 280 N THR A 18 9.985 -1.706 1.856 1.00 0.00 N ATOM 281 CA THR A 18 9.510 -2.959 1.281 1.00 0.00 C ATOM 282 C THR A 18 8.064 -2.836 0.815 1.00 0.00 C ATOM 283 O THR A 18 7.438 -1.787 0.968 1.00 0.00 O ATOM 284 CB THR A 18 9.615 -4.116 2.293 1.00 0.00 C ATOM 285 OG1 THR A 18 9.401 -5.367 1.629 1.00 0.00 O ATOM 286 CG2 THR A 18 8.599 -3.950 3.413 1.00 0.00 C ATOM 0 H THR A 18 9.251 -1.119 2.253 1.00 0.00 H new ATOM 0 HA THR A 18 10.148 -3.176 0.424 1.00 0.00 H new ATOM 0 HB THR A 18 10.615 -4.101 2.727 1.00 0.00 H new ATOM 0 HG1 THR A 18 9.471 -6.098 2.278 1.00 0.00 H new ATOM 0 HG21 THR A 18 8.692 -4.779 4.115 1.00 0.00 H new ATOM 0 HG22 THR A 18 8.782 -3.011 3.934 1.00 0.00 H new ATOM 0 HG23 THR A 18 7.593 -3.942 2.993 1.00 0.00 H new ATOM 294 N LYS A 19 7.538 -3.915 0.245 1.00 0.00 N ATOM 295 CA LYS A 19 6.164 -3.930 -0.243 1.00 0.00 C ATOM 296 C LYS A 19 5.502 -5.276 0.034 1.00 0.00 C ATOM 297 O LYS A 19 6.030 -6.325 -0.334 1.00 0.00 O ATOM 298 CB LYS A 19 6.131 -3.633 -1.744 1.00 0.00 C ATOM 299 CG LYS A 19 6.075 -2.150 -2.070 1.00 0.00 C ATOM 300 CD LYS A 19 6.075 -1.909 -3.570 1.00 0.00 C ATOM 301 CE LYS A 19 4.872 -2.556 -4.239 1.00 0.00 C ATOM 302 NZ LYS A 19 5.179 -3.932 -4.720 1.00 0.00 N ATOM 0 H LYS A 19 8.043 -4.791 0.110 1.00 0.00 H new ATOM 0 HA LYS A 19 5.609 -3.156 0.287 1.00 0.00 H new ATOM 0 HB2 LYS A 19 7.016 -4.066 -2.211 1.00 0.00 H new ATOM 0 HB3 LYS A 19 5.264 -4.126 -2.184 1.00 0.00 H new ATOM 0 HG2 LYS A 19 5.178 -1.713 -1.630 1.00 0.00 H new ATOM 0 HG3 LYS A 19 6.929 -1.645 -1.619 1.00 0.00 H new ATOM 0 HD2 LYS A 19 6.069 -0.837 -3.767 1.00 0.00 H new ATOM 0 HD3 LYS A 19 6.992 -2.308 -4.004 1.00 0.00 H new ATOM 0 HE2 LYS A 19 4.041 -2.594 -3.534 1.00 0.00 H new ATOM 0 HE3 LYS A 19 4.549 -1.941 -5.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 5.187 -3.942 -5.760 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 6.111 -4.225 -4.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 4.453 -4.591 -4.373 1.00 0.00 H new ATOM 316 N ALA A 20 4.344 -5.238 0.684 1.00 0.00 N ATOM 317 CA ALA A 20 3.609 -6.455 1.007 1.00 0.00 C ATOM 318 C ALA A 20 2.106 -6.199 1.030 1.00 0.00 C ATOM 319 O ALA A 20 1.657 -5.111 1.392 1.00 0.00 O ATOM 320 CB ALA A 20 4.072 -7.011 2.345 1.00 0.00 C ATOM 0 H ALA A 20 3.894 -4.378 0.997 1.00 0.00 H new ATOM 0 HA ALA A 20 3.814 -7.191 0.229 1.00 0.00 H new ATOM 0 HB1 ALA A 20 3.515 -7.920 2.574 1.00 0.00 H new ATOM 0 HB2 ALA A 20 5.136 -7.241 2.295 1.00 0.00 H new ATOM 0 HB3 ALA A 20 3.897 -6.272 3.126 1.00 0.00 H new ATOM 326 N VAL A 21 1.332 -7.207 0.639 1.00 0.00 N ATOM 327 CA VAL A 21 -0.121 -7.091 0.616 1.00 0.00 C ATOM 328 C VAL A 21 -0.651 -6.548 1.938 1.00 0.00 C ATOM 329 O VAL A 21 -1.625 -5.797 1.967 1.00 0.00 O ATOM 330 CB VAL A 21 -0.788 -8.449 0.327 1.00 0.00 C ATOM 331 CG1 VAL A 21 -0.680 -8.793 -1.151 1.00 0.00 C ATOM 332 CG2 VAL A 21 -0.165 -9.541 1.184 1.00 0.00 C ATOM 0 H VAL A 21 1.687 -8.113 0.334 1.00 0.00 H new ATOM 0 HA VAL A 21 -0.370 -6.394 -0.185 1.00 0.00 H new ATOM 0 HB VAL A 21 -1.845 -8.377 0.582 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -1.157 -9.756 -1.336 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -1.176 -8.023 -1.741 1.00 0.00 H new ATOM 0 HG13 VAL A 21 0.371 -8.848 -1.436 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -0.648 -10.494 0.967 1.00 0.00 H new ATOM 0 HG22 VAL A 21 0.900 -9.615 0.962 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -0.300 -9.298 2.238 1.00 0.00 H new ATOM 342 N ASP A 22 -0.002 -6.933 3.032 1.00 0.00 N ATOM 343 CA ASP A 22 -0.406 -6.484 4.359 1.00 0.00 C ATOM 344 C ASP A 22 0.800 -6.376 5.287 1.00 0.00 C ATOM 345 O ASP A 22 1.940 -6.557 4.862 1.00 0.00 O ATOM 346 CB ASP A 22 -1.438 -7.444 4.953 1.00 0.00 C ATOM 347 CG ASP A 22 -0.813 -8.735 5.444 1.00 0.00 C ATOM 348 OD1 ASP A 22 0.173 -9.188 4.827 1.00 0.00 O ATOM 349 OD2 ASP A 22 -1.310 -9.292 6.445 1.00 0.00 O ATOM 0 H ASP A 22 0.806 -7.555 3.025 1.00 0.00 H new ATOM 0 HA ASP A 22 -0.855 -5.496 4.260 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -1.951 -6.954 5.781 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -2.193 -7.672 4.201 1.00 0.00 H new ATOM 354 N ALA A 23 0.539 -6.079 6.556 1.00 0.00 N ATOM 355 CA ALA A 23 1.602 -5.948 7.544 1.00 0.00 C ATOM 356 C ALA A 23 2.206 -7.306 7.884 1.00 0.00 C ATOM 357 O ALA A 23 3.412 -7.422 8.100 1.00 0.00 O ATOM 358 CB ALA A 23 1.074 -5.274 8.801 1.00 0.00 C ATOM 0 H ALA A 23 -0.400 -5.925 6.924 1.00 0.00 H new ATOM 0 HA ALA A 23 2.388 -5.327 7.115 1.00 0.00 H new ATOM 0 HB1 ALA A 23 1.879 -5.183 9.530 1.00 0.00 H new ATOM 0 HB2 ALA A 23 0.697 -4.282 8.551 1.00 0.00 H new ATOM 0 HB3 ALA A 23 0.268 -5.873 9.224 1.00 0.00 H new ATOM 364 N GLU A 24 1.360 -8.331 7.929 1.00 0.00 N ATOM 365 CA GLU A 24 1.812 -9.680 8.245 1.00 0.00 C ATOM 366 C GLU A 24 2.855 -10.155 7.236 1.00 0.00 C ATOM 367 O GLU A 24 3.981 -10.493 7.602 1.00 0.00 O ATOM 368 CB GLU A 24 0.627 -10.648 8.263 1.00 0.00 C ATOM 369 CG GLU A 24 -0.522 -10.186 9.144 1.00 0.00 C ATOM 370 CD GLU A 24 -1.720 -11.113 9.074 1.00 0.00 C ATOM 371 OE1 GLU A 24 -1.672 -12.191 9.703 1.00 0.00 O ATOM 372 OE2 GLU A 24 -2.704 -10.762 8.391 1.00 0.00 O ATOM 0 H GLU A 24 0.359 -8.252 7.751 1.00 0.00 H new ATOM 0 HA GLU A 24 2.270 -9.659 9.234 1.00 0.00 H new ATOM 0 HB2 GLU A 24 0.262 -10.782 7.245 1.00 0.00 H new ATOM 0 HB3 GLU A 24 0.970 -11.623 8.609 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -0.179 -10.119 10.176 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -0.825 -9.183 8.843 1.00 0.00 H new ATOM 379 N THR A 25 2.471 -10.178 5.964 1.00 0.00 N ATOM 380 CA THR A 25 3.369 -10.612 4.902 1.00 0.00 C ATOM 381 C THR A 25 4.650 -9.785 4.893 1.00 0.00 C ATOM 382 O THR A 25 5.685 -10.232 4.400 1.00 0.00 O ATOM 383 CB THR A 25 2.697 -10.509 3.520 1.00 0.00 C ATOM 384 OG1 THR A 25 1.577 -11.399 3.453 1.00 0.00 O ATOM 385 CG2 THR A 25 3.684 -10.845 2.412 1.00 0.00 C ATOM 0 H THR A 25 1.543 -9.901 5.644 1.00 0.00 H new ATOM 0 HA THR A 25 3.613 -11.655 5.102 1.00 0.00 H new ATOM 0 HB THR A 25 2.355 -9.483 3.382 1.00 0.00 H new ATOM 0 HG1 THR A 25 0.801 -10.981 3.881 1.00 0.00 H new ATOM 0 HG21 THR A 25 3.187 -10.766 1.445 1.00 0.00 H new ATOM 0 HG22 THR A 25 4.522 -10.149 2.447 1.00 0.00 H new ATOM 0 HG23 THR A 25 4.052 -11.862 2.548 1.00 0.00 H new ATOM 393 N ALA A 26 4.573 -8.578 5.443 1.00 0.00 N ATOM 394 CA ALA A 26 5.728 -7.690 5.501 1.00 0.00 C ATOM 395 C ALA A 26 6.611 -8.016 6.700 1.00 0.00 C ATOM 396 O ALA A 26 7.838 -7.966 6.611 1.00 0.00 O ATOM 397 CB ALA A 26 5.275 -6.238 5.556 1.00 0.00 C ATOM 0 H ALA A 26 3.723 -8.192 5.855 1.00 0.00 H new ATOM 0 HA ALA A 26 6.318 -7.841 4.597 1.00 0.00 H new ATOM 0 HB1 ALA A 26 6.147 -5.586 5.599 1.00 0.00 H new ATOM 0 HB2 ALA A 26 4.691 -6.005 4.665 1.00 0.00 H new ATOM 0 HB3 ALA A 26 4.661 -6.082 6.443 1.00 0.00 H new ATOM 403 N GLU A 27 5.980 -8.349 7.822 1.00 0.00 N ATOM 404 CA GLU A 27 6.710 -8.681 9.039 1.00 0.00 C ATOM 405 C GLU A 27 7.770 -9.745 8.765 1.00 0.00 C ATOM 406 O GLU A 27 8.927 -9.602 9.160 1.00 0.00 O ATOM 407 CB GLU A 27 5.746 -9.173 10.121 1.00 0.00 C ATOM 408 CG GLU A 27 6.025 -8.589 11.496 1.00 0.00 C ATOM 409 CD GLU A 27 4.823 -8.667 12.417 1.00 0.00 C ATOM 410 OE1 GLU A 27 4.423 -9.795 12.775 1.00 0.00 O ATOM 411 OE2 GLU A 27 4.282 -7.602 12.779 1.00 0.00 O ATOM 0 H GLU A 27 4.965 -8.396 7.913 1.00 0.00 H new ATOM 0 HA GLU A 27 7.209 -7.778 9.390 1.00 0.00 H new ATOM 0 HB2 GLU A 27 4.726 -8.922 9.829 1.00 0.00 H new ATOM 0 HB3 GLU A 27 5.802 -10.260 10.179 1.00 0.00 H new ATOM 0 HG2 GLU A 27 6.861 -9.121 11.950 1.00 0.00 H new ATOM 0 HG3 GLU A 27 6.330 -7.548 11.390 1.00 0.00 H new ATOM 418 N LYS A 28 7.365 -10.813 8.085 1.00 0.00 N ATOM 419 CA LYS A 28 8.278 -11.901 7.756 1.00 0.00 C ATOM 420 C LYS A 28 9.466 -11.390 6.948 1.00 0.00 C ATOM 421 O LYS A 28 10.596 -11.840 7.135 1.00 0.00 O ATOM 422 CB LYS A 28 7.543 -12.990 6.970 1.00 0.00 C ATOM 423 CG LYS A 28 7.102 -14.165 7.825 1.00 0.00 C ATOM 424 CD LYS A 28 5.590 -14.320 7.821 1.00 0.00 C ATOM 425 CE LYS A 28 5.155 -15.554 8.597 1.00 0.00 C ATOM 426 NZ LYS A 28 3.718 -15.488 8.983 1.00 0.00 N ATOM 0 H LYS A 28 6.411 -10.948 7.751 1.00 0.00 H new ATOM 0 HA LYS A 28 8.651 -12.323 8.689 1.00 0.00 H new ATOM 0 HB2 LYS A 28 6.668 -12.552 6.490 1.00 0.00 H new ATOM 0 HB3 LYS A 28 8.194 -13.354 6.175 1.00 0.00 H new ATOM 0 HG2 LYS A 28 7.564 -15.080 7.454 1.00 0.00 H new ATOM 0 HG3 LYS A 28 7.452 -14.024 8.848 1.00 0.00 H new ATOM 0 HD2 LYS A 28 5.131 -13.433 8.258 1.00 0.00 H new ATOM 0 HD3 LYS A 28 5.233 -14.390 6.794 1.00 0.00 H new ATOM 0 HE2 LYS A 28 5.328 -16.444 7.991 1.00 0.00 H new ATOM 0 HE3 LYS A 28 5.768 -15.654 9.493 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 3.460 -16.347 9.510 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 3.557 -14.653 9.582 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 3.131 -15.418 8.127 1.00 0.00 H new ATOM 440 N ALA A 29 9.203 -10.446 6.050 1.00 0.00 N ATOM 441 CA ALA A 29 10.251 -9.871 5.216 1.00 0.00 C ATOM 442 C ALA A 29 11.112 -8.895 6.012 1.00 0.00 C ATOM 443 O ALA A 29 12.282 -8.681 5.692 1.00 0.00 O ATOM 444 CB ALA A 29 9.643 -9.176 4.007 1.00 0.00 C ATOM 0 H ALA A 29 8.273 -10.063 5.882 1.00 0.00 H new ATOM 0 HA ALA A 29 10.892 -10.682 4.870 1.00 0.00 H new ATOM 0 HB1 ALA A 29 10.438 -8.751 3.394 1.00 0.00 H new ATOM 0 HB2 ALA A 29 9.077 -9.898 3.419 1.00 0.00 H new ATOM 0 HB3 ALA A 29 8.978 -8.380 4.341 1.00 0.00 H new ATOM 450 N PHE A 30 10.526 -8.306 7.049 1.00 0.00 N ATOM 451 CA PHE A 30 11.239 -7.351 7.889 1.00 0.00 C ATOM 452 C PHE A 30 12.147 -8.072 8.881 1.00 0.00 C ATOM 453 O PHE A 30 13.299 -7.687 9.080 1.00 0.00 O ATOM 454 CB PHE A 30 10.248 -6.461 8.641 1.00 0.00 C ATOM 455 CG PHE A 30 9.824 -5.247 7.865 1.00 0.00 C ATOM 456 CD1 PHE A 30 10.764 -4.456 7.222 1.00 0.00 C ATOM 457 CD2 PHE A 30 8.487 -4.896 7.777 1.00 0.00 C ATOM 458 CE1 PHE A 30 10.377 -3.338 6.508 1.00 0.00 C ATOM 459 CE2 PHE A 30 8.094 -3.779 7.064 1.00 0.00 C ATOM 460 CZ PHE A 30 9.040 -3.000 6.428 1.00 0.00 C ATOM 0 H PHE A 30 9.559 -8.473 7.328 1.00 0.00 H new ATOM 0 HA PHE A 30 11.858 -6.728 7.243 1.00 0.00 H new ATOM 0 HB2 PHE A 30 9.365 -7.047 8.894 1.00 0.00 H new ATOM 0 HB3 PHE A 30 10.699 -6.142 9.581 1.00 0.00 H new ATOM 0 HD1 PHE A 30 11.810 -4.717 7.280 1.00 0.00 H new ATOM 0 HD2 PHE A 30 7.743 -5.502 8.271 1.00 0.00 H new ATOM 0 HE1 PHE A 30 11.119 -2.729 6.013 1.00 0.00 H new ATOM 0 HE2 PHE A 30 7.048 -3.516 7.004 1.00 0.00 H new ATOM 0 HZ PHE A 30 8.735 -2.128 5.869 1.00 0.00 H new ATOM 470 N LYS A 31 11.619 -9.121 9.503 1.00 0.00 N ATOM 471 CA LYS A 31 12.379 -9.897 10.475 1.00 0.00 C ATOM 472 C LYS A 31 13.728 -10.318 9.900 1.00 0.00 C ATOM 473 O LYS A 31 14.752 -10.241 10.578 1.00 0.00 O ATOM 474 CB LYS A 31 11.586 -11.135 10.902 1.00 0.00 C ATOM 475 CG LYS A 31 10.538 -10.850 11.963 1.00 0.00 C ATOM 476 CD LYS A 31 11.144 -10.835 13.356 1.00 0.00 C ATOM 477 CE LYS A 31 10.081 -11.019 14.429 1.00 0.00 C ATOM 478 NZ LYS A 31 10.067 -9.886 15.395 1.00 0.00 N ATOM 0 H LYS A 31 10.667 -9.453 9.351 1.00 0.00 H new ATOM 0 HA LYS A 31 12.556 -9.267 11.347 1.00 0.00 H new ATOM 0 HB2 LYS A 31 11.098 -11.563 10.027 1.00 0.00 H new ATOM 0 HB3 LYS A 31 12.278 -11.887 11.280 1.00 0.00 H new ATOM 0 HG2 LYS A 31 10.066 -9.889 11.760 1.00 0.00 H new ATOM 0 HG3 LYS A 31 9.755 -11.606 11.914 1.00 0.00 H new ATOM 0 HD2 LYS A 31 11.887 -11.628 13.439 1.00 0.00 H new ATOM 0 HD3 LYS A 31 11.665 -9.891 13.517 1.00 0.00 H new ATOM 0 HE2 LYS A 31 9.102 -11.108 13.959 1.00 0.00 H new ATOM 0 HE3 LYS A 31 10.263 -11.951 14.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 9.330 -10.049 16.110 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 10.993 -9.817 15.863 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 9.868 -9.000 14.888 1.00 0.00 H new ATOM 492 N GLN A 32 13.719 -10.761 8.647 1.00 0.00 N ATOM 493 CA GLN A 32 14.943 -11.192 7.982 1.00 0.00 C ATOM 494 C GLN A 32 16.005 -10.099 8.031 1.00 0.00 C ATOM 495 O GLN A 32 17.132 -10.333 8.468 1.00 0.00 O ATOM 496 CB GLN A 32 14.652 -11.572 6.528 1.00 0.00 C ATOM 497 CG GLN A 32 15.904 -11.803 5.698 1.00 0.00 C ATOM 498 CD GLN A 32 15.901 -13.149 5.001 1.00 0.00 C ATOM 499 OE1 GLN A 32 14.849 -13.656 4.609 1.00 0.00 O ATOM 500 NE2 GLN A 32 17.082 -13.736 4.841 1.00 0.00 N ATOM 0 H GLN A 32 12.879 -10.831 8.073 1.00 0.00 H new ATOM 0 HA GLN A 32 15.324 -12.066 8.510 1.00 0.00 H new ATOM 0 HB2 GLN A 32 14.044 -12.476 6.512 1.00 0.00 H new ATOM 0 HB3 GLN A 32 14.060 -10.782 6.066 1.00 0.00 H new ATOM 0 HG2 GLN A 32 15.993 -11.012 4.953 1.00 0.00 H new ATOM 0 HG3 GLN A 32 16.781 -11.733 6.342 1.00 0.00 H new ATOM 0 HE21 GLN A 32 17.928 -13.280 5.181 1.00 0.00 H new ATOM 0 HE22 GLN A 32 17.142 -14.643 4.378 1.00 0.00 H new ATOM 509 N TYR A 33 15.637 -8.904 7.581 1.00 0.00 N ATOM 510 CA TYR A 33 16.559 -7.774 7.572 1.00 0.00 C ATOM 511 C TYR A 33 17.170 -7.558 8.953 1.00 0.00 C ATOM 512 O TYR A 33 18.314 -7.120 9.076 1.00 0.00 O ATOM 513 CB TYR A 33 15.838 -6.504 7.117 1.00 0.00 C ATOM 514 CG TYR A 33 16.734 -5.525 6.394 1.00 0.00 C ATOM 515 CD1 TYR A 33 17.534 -4.634 7.100 1.00 0.00 C ATOM 516 CD2 TYR A 33 16.781 -5.488 5.006 1.00 0.00 C ATOM 517 CE1 TYR A 33 18.354 -3.736 6.444 1.00 0.00 C ATOM 518 CE2 TYR A 33 17.599 -4.595 4.342 1.00 0.00 C ATOM 519 CZ TYR A 33 18.384 -3.721 5.065 1.00 0.00 C ATOM 520 OH TYR A 33 19.199 -2.829 4.407 1.00 0.00 O ATOM 0 H TYR A 33 14.707 -8.693 7.218 1.00 0.00 H new ATOM 0 HA TYR A 33 17.362 -7.999 6.870 1.00 0.00 H new ATOM 0 HB2 TYR A 33 15.012 -6.780 6.461 1.00 0.00 H new ATOM 0 HB3 TYR A 33 15.403 -6.012 7.987 1.00 0.00 H new ATOM 0 HD1 TYR A 33 17.514 -4.644 8.180 1.00 0.00 H new ATOM 0 HD2 TYR A 33 16.167 -6.170 4.436 1.00 0.00 H new ATOM 0 HE1 TYR A 33 18.968 -3.050 7.008 1.00 0.00 H new ATOM 0 HE2 TYR A 33 17.624 -4.581 3.262 1.00 0.00 H new ATOM 0 HH TYR A 33 19.102 -2.950 3.439 1.00 0.00 H new ATOM 530 N ALA A 34 16.400 -7.871 9.989 1.00 0.00 N ATOM 531 CA ALA A 34 16.865 -7.714 11.362 1.00 0.00 C ATOM 532 C ALA A 34 17.942 -8.741 11.697 1.00 0.00 C ATOM 533 O ALA A 34 19.051 -8.384 12.092 1.00 0.00 O ATOM 534 CB ALA A 34 15.698 -7.835 12.331 1.00 0.00 C ATOM 0 H ALA A 34 15.451 -8.235 9.904 1.00 0.00 H new ATOM 0 HA ALA A 34 17.303 -6.721 11.460 1.00 0.00 H new ATOM 0 HB1 ALA A 34 16.059 -7.716 13.352 1.00 0.00 H new ATOM 0 HB2 ALA A 34 14.963 -7.060 12.114 1.00 0.00 H new ATOM 0 HB3 ALA A 34 15.235 -8.816 12.222 1.00 0.00 H new ATOM 540 N ASN A 35 17.607 -10.017 11.536 1.00 0.00 N ATOM 541 CA ASN A 35 18.547 -11.095 11.823 1.00 0.00 C ATOM 542 C ASN A 35 19.789 -10.983 10.944 1.00 0.00 C ATOM 543 O ASN A 35 20.916 -11.067 11.432 1.00 0.00 O ATOM 544 CB ASN A 35 17.877 -12.454 11.608 1.00 0.00 C ATOM 545 CG ASN A 35 17.280 -13.013 12.885 1.00 0.00 C ATOM 546 OD1 ASN A 35 17.087 -12.289 13.862 1.00 0.00 O ATOM 547 ND2 ASN A 35 16.985 -14.308 12.883 1.00 0.00 N ATOM 0 H ASN A 35 16.693 -10.330 11.209 1.00 0.00 H new ATOM 0 HA ASN A 35 18.853 -11.009 12.866 1.00 0.00 H new ATOM 0 HB2 ASN A 35 17.093 -12.355 10.857 1.00 0.00 H new ATOM 0 HB3 ASN A 35 18.609 -13.159 11.214 1.00 0.00 H new ATOM 0 HD21 ASN A 35 16.581 -14.740 13.714 1.00 0.00 H new ATOM 0 HD22 ASN A 35 17.162 -14.870 12.050 1.00 0.00 H new ATOM 554 N ASP A 36 19.573 -10.792 9.647 1.00 0.00 N ATOM 555 CA ASP A 36 20.675 -10.667 8.700 1.00 0.00 C ATOM 556 C ASP A 36 21.652 -9.582 9.143 1.00 0.00 C ATOM 557 O ASP A 36 22.863 -9.719 8.978 1.00 0.00 O ATOM 558 CB ASP A 36 20.140 -10.349 7.303 1.00 0.00 C ATOM 559 CG ASP A 36 20.821 -11.166 6.223 1.00 0.00 C ATOM 560 OD1 ASP A 36 20.551 -12.383 6.141 1.00 0.00 O ATOM 561 OD2 ASP A 36 21.622 -10.590 5.458 1.00 0.00 O ATOM 0 H ASP A 36 18.646 -10.720 9.228 1.00 0.00 H new ATOM 0 HA ASP A 36 21.206 -11.618 8.670 1.00 0.00 H new ATOM 0 HB2 ASP A 36 19.067 -10.539 7.276 1.00 0.00 H new ATOM 0 HB3 ASP A 36 20.281 -9.288 7.096 1.00 0.00 H new ATOM 566 N ASN A 37 21.116 -8.504 9.707 1.00 0.00 N ATOM 567 CA ASN A 37 21.941 -7.395 10.172 1.00 0.00 C ATOM 568 C ASN A 37 22.333 -7.585 11.634 1.00 0.00 C ATOM 569 O ASN A 37 23.117 -6.813 12.183 1.00 0.00 O ATOM 570 CB ASN A 37 21.194 -6.071 10.001 1.00 0.00 C ATOM 571 CG ASN A 37 21.384 -5.474 8.620 1.00 0.00 C ATOM 572 OD1 ASN A 37 22.637 -5.332 8.204 1.00 0.00 O flip ATOM 573 ND2 ASN A 37 20.415 -5.146 7.935 1.00 0.00 N flip ATOM 0 H ASN A 37 20.115 -8.375 9.853 1.00 0.00 H new ATOM 0 HA ASN A 37 22.850 -7.373 9.570 1.00 0.00 H new ATOM 0 HB2 ASN A 37 20.131 -6.231 10.182 1.00 0.00 H new ATOM 0 HB3 ASN A 37 21.542 -5.361 10.752 1.00 0.00 H new ATOM 0 HD21 ASN A 37 19.469 -5.273 8.295 1.00 0.00 H new ATOM 0 HD22 ASN A 37 20.558 -4.747 7.007 1.00 0.00 H new ATOM 580 N GLY A 38 21.782 -8.621 12.260 1.00 0.00 N ATOM 581 CA GLY A 38 22.086 -8.895 13.652 1.00 0.00 C ATOM 582 C GLY A 38 21.392 -7.935 14.597 1.00 0.00 C ATOM 583 O GLY A 38 21.674 -7.919 15.795 1.00 0.00 O ATOM 0 H GLY A 38 21.130 -9.275 11.827 1.00 0.00 H new ATOM 0 HA2 GLY A 38 21.787 -9.915 13.892 1.00 0.00 H new ATOM 0 HA3 GLY A 38 23.164 -8.834 13.804 1.00 0.00 H new ATOM 587 N VAL A 39 20.482 -7.130 14.057 1.00 0.00 N ATOM 588 CA VAL A 39 19.746 -6.161 14.861 1.00 0.00 C ATOM 589 C VAL A 39 18.356 -6.680 15.211 1.00 0.00 C ATOM 590 O VAL A 39 17.488 -6.793 14.345 1.00 0.00 O ATOM 591 CB VAL A 39 19.610 -4.813 14.129 1.00 0.00 C ATOM 592 CG1 VAL A 39 18.686 -3.879 14.896 1.00 0.00 C ATOM 593 CG2 VAL A 39 20.976 -4.176 13.926 1.00 0.00 C ATOM 0 H VAL A 39 20.237 -7.130 13.067 1.00 0.00 H new ATOM 0 HA VAL A 39 20.316 -6.012 15.778 1.00 0.00 H new ATOM 0 HB VAL A 39 19.171 -4.995 13.148 1.00 0.00 H new ATOM 0 HG11 VAL A 39 18.602 -2.932 14.363 1.00 0.00 H new ATOM 0 HG12 VAL A 39 17.700 -4.334 14.984 1.00 0.00 H new ATOM 0 HG13 VAL A 39 19.093 -3.701 15.891 1.00 0.00 H new ATOM 0 HG21 VAL A 39 20.860 -3.224 13.407 1.00 0.00 H new ATOM 0 HG22 VAL A 39 21.446 -4.006 14.895 1.00 0.00 H new ATOM 0 HG23 VAL A 39 21.602 -4.840 13.330 1.00 0.00 H new ATOM 603 N ASP A 40 18.152 -6.995 16.485 1.00 0.00 N ATOM 604 CA ASP A 40 16.866 -7.501 16.950 1.00 0.00 C ATOM 605 C ASP A 40 16.446 -6.810 18.244 1.00 0.00 C ATOM 606 O ASP A 40 17.265 -6.195 18.926 1.00 0.00 O ATOM 607 CB ASP A 40 16.936 -9.014 17.165 1.00 0.00 C ATOM 608 CG ASP A 40 15.583 -9.616 17.488 1.00 0.00 C ATOM 609 OD1 ASP A 40 14.717 -9.645 16.589 1.00 0.00 O ATOM 610 OD2 ASP A 40 15.390 -10.059 18.640 1.00 0.00 O ATOM 0 H ASP A 40 18.860 -6.909 17.214 1.00 0.00 H new ATOM 0 HA ASP A 40 16.120 -7.285 16.185 1.00 0.00 H new ATOM 0 HB2 ASP A 40 17.336 -9.487 16.268 1.00 0.00 H new ATOM 0 HB3 ASP A 40 17.630 -9.231 17.977 1.00 0.00 H new ATOM 615 N GLY A 41 15.163 -6.915 18.576 1.00 0.00 N ATOM 616 CA GLY A 41 14.656 -6.295 19.786 1.00 0.00 C ATOM 617 C GLY A 41 13.195 -5.909 19.672 1.00 0.00 C ATOM 618 O GLY A 41 12.323 -6.773 19.574 1.00 0.00 O ATOM 0 H GLY A 41 14.465 -7.419 18.028 1.00 0.00 H new ATOM 0 HA2 GLY A 41 14.783 -6.982 20.623 1.00 0.00 H new ATOM 0 HA3 GLY A 41 15.247 -5.407 20.010 1.00 0.00 H new ATOM 622 N VAL A 42 12.924 -4.608 19.687 1.00 0.00 N ATOM 623 CA VAL A 42 11.558 -4.109 19.585 1.00 0.00 C ATOM 624 C VAL A 42 11.168 -3.869 18.131 1.00 0.00 C ATOM 625 O VAL A 42 11.959 -3.350 17.344 1.00 0.00 O ATOM 626 CB VAL A 42 11.378 -2.800 20.377 1.00 0.00 C ATOM 627 CG1 VAL A 42 9.920 -2.366 20.365 1.00 0.00 C ATOM 628 CG2 VAL A 42 11.882 -2.967 21.802 1.00 0.00 C ATOM 0 H VAL A 42 13.633 -3.880 19.769 1.00 0.00 H new ATOM 0 HA VAL A 42 10.909 -4.874 20.010 1.00 0.00 H new ATOM 0 HB VAL A 42 11.968 -2.020 19.897 1.00 0.00 H new ATOM 0 HG11 VAL A 42 9.811 -1.440 20.929 1.00 0.00 H new ATOM 0 HG12 VAL A 42 9.597 -2.205 19.337 1.00 0.00 H new ATOM 0 HG13 VAL A 42 9.305 -3.142 20.821 1.00 0.00 H new ATOM 0 HG21 VAL A 42 11.747 -2.033 22.347 1.00 0.00 H new ATOM 0 HG22 VAL A 42 11.320 -3.760 22.296 1.00 0.00 H new ATOM 0 HG23 VAL A 42 12.940 -3.228 21.785 1.00 0.00 H new ATOM 638 N TRP A 43 9.944 -4.249 17.783 1.00 0.00 N ATOM 639 CA TRP A 43 9.448 -4.074 16.422 1.00 0.00 C ATOM 640 C TRP A 43 8.009 -3.572 16.428 1.00 0.00 C ATOM 641 O TRP A 43 7.064 -4.362 16.429 1.00 0.00 O ATOM 642 CB TRP A 43 9.539 -5.392 15.651 1.00 0.00 C ATOM 643 CG TRP A 43 10.813 -5.542 14.877 1.00 0.00 C ATOM 644 CD1 TRP A 43 11.938 -6.209 15.271 1.00 0.00 C ATOM 645 CD2 TRP A 43 11.094 -5.010 13.578 1.00 0.00 C ATOM 646 NE1 TRP A 43 12.901 -6.125 14.294 1.00 0.00 N ATOM 647 CE2 TRP A 43 12.408 -5.395 13.245 1.00 0.00 C ATOM 648 CE3 TRP A 43 10.363 -4.249 12.662 1.00 0.00 C ATOM 649 CZ2 TRP A 43 13.003 -5.043 12.037 1.00 0.00 C ATOM 650 CZ3 TRP A 43 10.956 -3.899 11.463 1.00 0.00 C ATOM 651 CH2 TRP A 43 12.264 -4.297 11.159 1.00 0.00 C ATOM 0 H TRP A 43 9.277 -4.680 18.423 1.00 0.00 H new ATOM 0 HA TRP A 43 10.071 -3.329 15.927 1.00 0.00 H new ATOM 0 HB2 TRP A 43 9.449 -6.222 16.352 1.00 0.00 H new ATOM 0 HB3 TRP A 43 8.695 -5.462 14.965 1.00 0.00 H new ATOM 0 HD1 TRP A 43 12.054 -6.726 16.212 1.00 0.00 H new ATOM 0 HE1 TRP A 43 13.832 -6.539 14.342 1.00 0.00 H new ATOM 0 HE3 TRP A 43 9.353 -3.940 12.887 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 14.012 -5.348 11.801 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 10.401 -3.309 10.749 1.00 0.00 H new ATOM 0 HH2 TRP A 43 12.698 -4.010 10.213 1.00 0.00 H new ATOM 662 N THR A 44 7.847 -2.252 16.431 1.00 0.00 N ATOM 663 CA THR A 44 6.522 -1.645 16.437 1.00 0.00 C ATOM 664 C THR A 44 6.139 -1.146 15.049 1.00 0.00 C ATOM 665 O THR A 44 6.995 -0.987 14.178 1.00 0.00 O ATOM 666 CB THR A 44 6.447 -0.470 17.431 1.00 0.00 C ATOM 667 OG1 THR A 44 7.540 0.428 17.210 1.00 0.00 O ATOM 668 CG2 THR A 44 6.480 -0.973 18.866 1.00 0.00 C ATOM 0 H THR A 44 8.617 -1.583 16.429 1.00 0.00 H new ATOM 0 HA THR A 44 5.821 -2.420 16.747 1.00 0.00 H new ATOM 0 HB THR A 44 5.506 0.056 17.268 1.00 0.00 H new ATOM 0 HG1 THR A 44 7.485 1.173 17.844 1.00 0.00 H new ATOM 0 HG21 THR A 44 6.426 -0.126 19.550 1.00 0.00 H new ATOM 0 HG22 THR A 44 5.631 -1.634 19.039 1.00 0.00 H new ATOM 0 HG23 THR A 44 7.407 -1.520 19.039 1.00 0.00 H new ATOM 676 N TYR A 45 4.849 -0.900 14.848 1.00 0.00 N ATOM 677 CA TYR A 45 4.353 -0.421 13.564 1.00 0.00 C ATOM 678 C TYR A 45 3.076 0.395 13.744 1.00 0.00 C ATOM 679 O TYR A 45 2.224 0.061 14.567 1.00 0.00 O ATOM 680 CB TYR A 45 4.091 -1.598 12.623 1.00 0.00 C ATOM 681 CG TYR A 45 2.630 -1.969 12.509 1.00 0.00 C ATOM 682 CD1 TYR A 45 1.994 -2.684 13.515 1.00 0.00 C ATOM 683 CD2 TYR A 45 1.885 -1.603 11.394 1.00 0.00 C ATOM 684 CE1 TYR A 45 0.659 -3.026 13.414 1.00 0.00 C ATOM 685 CE2 TYR A 45 0.550 -1.939 11.285 1.00 0.00 C ATOM 686 CZ TYR A 45 -0.059 -2.651 12.298 1.00 0.00 C ATOM 687 OH TYR A 45 -1.389 -2.988 12.194 1.00 0.00 O ATOM 0 H TYR A 45 4.128 -1.025 15.559 1.00 0.00 H new ATOM 0 HA TYR A 45 5.116 0.223 13.126 1.00 0.00 H new ATOM 0 HB2 TYR A 45 4.473 -1.352 11.632 1.00 0.00 H new ATOM 0 HB3 TYR A 45 4.651 -2.465 12.974 1.00 0.00 H new ATOM 0 HD1 TYR A 45 2.552 -2.978 14.392 1.00 0.00 H new ATOM 0 HD2 TYR A 45 2.359 -1.046 10.599 1.00 0.00 H new ATOM 0 HE1 TYR A 45 0.180 -3.584 14.205 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -0.014 -1.646 10.412 1.00 0.00 H new ATOM 0 HH TYR A 45 -1.748 -2.648 11.348 1.00 0.00 H new ATOM 697 N ASP A 46 2.951 1.465 12.966 1.00 0.00 N ATOM 698 CA ASP A 46 1.778 2.328 13.037 1.00 0.00 C ATOM 699 C ASP A 46 1.004 2.302 11.723 1.00 0.00 C ATOM 700 O ASP A 46 1.332 3.026 10.783 1.00 0.00 O ATOM 701 CB ASP A 46 2.194 3.762 13.369 1.00 0.00 C ATOM 702 CG ASP A 46 1.073 4.758 13.141 1.00 0.00 C ATOM 703 OD1 ASP A 46 0.093 4.734 13.914 1.00 0.00 O ATOM 704 OD2 ASP A 46 1.175 5.559 12.188 1.00 0.00 O ATOM 0 H ASP A 46 3.647 1.755 12.279 1.00 0.00 H new ATOM 0 HA ASP A 46 1.129 1.953 13.828 1.00 0.00 H new ATOM 0 HB2 ASP A 46 2.515 3.812 14.409 1.00 0.00 H new ATOM 0 HB3 ASP A 46 3.052 4.039 12.757 1.00 0.00 H new ATOM 709 N ASP A 47 -0.023 1.461 11.664 1.00 0.00 N ATOM 710 CA ASP A 47 -0.844 1.339 10.465 1.00 0.00 C ATOM 711 C ASP A 47 -1.302 2.711 9.979 1.00 0.00 C ATOM 712 O ASP A 47 -1.517 2.917 8.785 1.00 0.00 O ATOM 713 CB ASP A 47 -2.058 0.450 10.741 1.00 0.00 C ATOM 714 CG ASP A 47 -3.200 1.213 11.382 1.00 0.00 C ATOM 715 OD1 ASP A 47 -3.034 1.676 12.530 1.00 0.00 O ATOM 716 OD2 ASP A 47 -4.260 1.347 10.736 1.00 0.00 O ATOM 0 H ASP A 47 -0.307 0.854 12.433 1.00 0.00 H new ATOM 0 HA ASP A 47 -0.238 0.880 9.684 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -2.400 0.007 9.806 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -1.762 -0.372 11.393 1.00 0.00 H new ATOM 721 N ALA A 48 -1.451 3.644 10.913 1.00 0.00 N ATOM 722 CA ALA A 48 -1.883 4.996 10.579 1.00 0.00 C ATOM 723 C ALA A 48 -1.029 5.585 9.461 1.00 0.00 C ATOM 724 O ALA A 48 -1.550 6.159 8.504 1.00 0.00 O ATOM 725 CB ALA A 48 -1.830 5.886 11.812 1.00 0.00 C ATOM 0 H ALA A 48 -1.279 3.489 11.906 1.00 0.00 H new ATOM 0 HA ALA A 48 -2.913 4.945 10.225 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -2.155 6.892 11.548 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -2.488 5.482 12.581 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -0.809 5.922 12.191 1.00 0.00 H new ATOM 731 N THR A 49 0.286 5.441 9.589 1.00 0.00 N ATOM 732 CA THR A 49 1.213 5.960 8.591 1.00 0.00 C ATOM 733 C THR A 49 2.183 4.880 8.127 1.00 0.00 C ATOM 734 O THR A 49 3.323 5.170 7.761 1.00 0.00 O ATOM 735 CB THR A 49 2.015 7.155 9.138 1.00 0.00 C ATOM 736 OG1 THR A 49 2.988 6.700 10.085 1.00 0.00 O ATOM 737 CG2 THR A 49 1.094 8.170 9.797 1.00 0.00 C ATOM 0 H THR A 49 0.733 4.969 10.375 1.00 0.00 H new ATOM 0 HA THR A 49 0.613 6.292 7.744 1.00 0.00 H new ATOM 0 HB THR A 49 2.521 7.637 8.302 1.00 0.00 H new ATOM 0 HG1 THR A 49 2.534 6.278 10.844 1.00 0.00 H new ATOM 0 HG21 THR A 49 1.684 9.005 10.176 1.00 0.00 H new ATOM 0 HG22 THR A 49 0.374 8.537 9.065 1.00 0.00 H new ATOM 0 HG23 THR A 49 0.563 7.697 10.623 1.00 0.00 H new ATOM 745 N LYS A 50 1.726 3.633 8.144 1.00 0.00 N ATOM 746 CA LYS A 50 2.552 2.508 7.723 1.00 0.00 C ATOM 747 C LYS A 50 4.011 2.730 8.111 1.00 0.00 C ATOM 748 O LYS A 50 4.918 2.519 7.304 1.00 0.00 O ATOM 749 CB LYS A 50 2.441 2.304 6.210 1.00 0.00 C ATOM 750 CG LYS A 50 2.420 3.602 5.422 1.00 0.00 C ATOM 751 CD LYS A 50 2.190 3.352 3.941 1.00 0.00 C ATOM 752 CE LYS A 50 0.764 3.686 3.534 1.00 0.00 C ATOM 753 NZ LYS A 50 0.448 3.196 2.164 1.00 0.00 N ATOM 0 H LYS A 50 0.786 3.376 8.445 1.00 0.00 H new ATOM 0 HA LYS A 50 2.190 1.614 8.231 1.00 0.00 H new ATOM 0 HB2 LYS A 50 3.280 1.696 5.871 1.00 0.00 H new ATOM 0 HB3 LYS A 50 1.532 1.742 5.993 1.00 0.00 H new ATOM 0 HG2 LYS A 50 1.634 4.251 5.809 1.00 0.00 H new ATOM 0 HG3 LYS A 50 3.364 4.128 5.561 1.00 0.00 H new ATOM 0 HD2 LYS A 50 2.886 3.954 3.357 1.00 0.00 H new ATOM 0 HD3 LYS A 50 2.400 2.308 3.710 1.00 0.00 H new ATOM 0 HE2 LYS A 50 0.070 3.242 4.247 1.00 0.00 H new ATOM 0 HE3 LYS A 50 0.618 4.765 3.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -0.533 3.444 1.924 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 1.094 3.639 1.479 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 0.562 2.163 2.130 1.00 0.00 H new ATOM 767 N THR A 51 4.231 3.155 9.351 1.00 0.00 N ATOM 768 CA THR A 51 5.579 3.405 9.845 1.00 0.00 C ATOM 769 C THR A 51 6.023 2.310 10.808 1.00 0.00 C ATOM 770 O THR A 51 5.403 2.096 11.850 1.00 0.00 O ATOM 771 CB THR A 51 5.673 4.768 10.557 1.00 0.00 C ATOM 772 OG1 THR A 51 5.407 5.825 9.628 1.00 0.00 O ATOM 773 CG2 THR A 51 7.049 4.962 11.175 1.00 0.00 C ATOM 0 H THR A 51 3.493 3.333 10.032 1.00 0.00 H new ATOM 0 HA THR A 51 6.238 3.411 8.977 1.00 0.00 H new ATOM 0 HB THR A 51 4.929 4.790 11.353 1.00 0.00 H new ATOM 0 HG1 THR A 51 4.618 6.327 9.921 1.00 0.00 H new ATOM 0 HG21 THR A 51 7.091 5.931 11.672 1.00 0.00 H new ATOM 0 HG22 THR A 51 7.235 4.172 11.903 1.00 0.00 H new ATOM 0 HG23 THR A 51 7.808 4.922 10.394 1.00 0.00 H new ATOM 781 N PHE A 52 7.101 1.618 10.454 1.00 0.00 N ATOM 782 CA PHE A 52 7.628 0.544 11.287 1.00 0.00 C ATOM 783 C PHE A 52 8.942 0.959 11.943 1.00 0.00 C ATOM 784 O PHE A 52 9.787 1.600 11.317 1.00 0.00 O ATOM 785 CB PHE A 52 7.839 -0.721 10.453 1.00 0.00 C ATOM 786 CG PHE A 52 6.561 -1.432 10.109 1.00 0.00 C ATOM 787 CD1 PHE A 52 5.580 -0.799 9.363 1.00 0.00 C ATOM 788 CD2 PHE A 52 6.342 -2.733 10.531 1.00 0.00 C ATOM 789 CE1 PHE A 52 4.403 -1.451 9.046 1.00 0.00 C ATOM 790 CE2 PHE A 52 5.167 -3.390 10.217 1.00 0.00 C ATOM 791 CZ PHE A 52 4.197 -2.748 9.472 1.00 0.00 C ATOM 0 H PHE A 52 7.627 1.782 9.595 1.00 0.00 H new ATOM 0 HA PHE A 52 6.900 0.336 12.071 1.00 0.00 H new ATOM 0 HB2 PHE A 52 8.358 -0.457 9.532 1.00 0.00 H new ATOM 0 HB3 PHE A 52 8.489 -1.403 11.001 1.00 0.00 H new ATOM 0 HD1 PHE A 52 5.737 0.215 9.025 1.00 0.00 H new ATOM 0 HD2 PHE A 52 7.098 -3.240 11.112 1.00 0.00 H new ATOM 0 HE1 PHE A 52 3.645 -0.946 8.465 1.00 0.00 H new ATOM 0 HE2 PHE A 52 5.008 -4.404 10.554 1.00 0.00 H new ATOM 0 HZ PHE A 52 3.279 -3.260 9.223 1.00 0.00 H new ATOM 801 N THR A 53 9.108 0.590 13.209 1.00 0.00 N ATOM 802 CA THR A 53 10.317 0.924 13.951 1.00 0.00 C ATOM 803 C THR A 53 10.985 -0.328 14.507 1.00 0.00 C ATOM 804 O THR A 53 10.315 -1.233 15.005 1.00 0.00 O ATOM 805 CB THR A 53 10.013 1.889 15.113 1.00 0.00 C ATOM 806 OG1 THR A 53 9.018 2.838 14.715 1.00 0.00 O ATOM 807 CG2 THR A 53 11.273 2.621 15.552 1.00 0.00 C ATOM 0 H THR A 53 8.419 0.059 13.742 1.00 0.00 H new ATOM 0 HA THR A 53 10.994 1.412 13.250 1.00 0.00 H new ATOM 0 HB THR A 53 9.640 1.304 15.954 1.00 0.00 H new ATOM 0 HG1 THR A 53 8.830 3.446 15.460 1.00 0.00 H new ATOM 0 HG21 THR A 53 11.034 3.297 16.373 1.00 0.00 H new ATOM 0 HG22 THR A 53 12.018 1.897 15.883 1.00 0.00 H new ATOM 0 HG23 THR A 53 11.671 3.194 14.715 1.00 0.00 H new ATOM 815 N VAL A 54 12.311 -0.374 14.418 1.00 0.00 N ATOM 816 CA VAL A 54 13.071 -1.516 14.914 1.00 0.00 C ATOM 817 C VAL A 54 14.156 -1.072 15.888 1.00 0.00 C ATOM 818 O VAL A 54 15.198 -0.557 15.482 1.00 0.00 O ATOM 819 CB VAL A 54 13.722 -2.300 13.759 1.00 0.00 C ATOM 820 CG1 VAL A 54 14.452 -1.356 12.817 1.00 0.00 C ATOM 821 CG2 VAL A 54 14.667 -3.361 14.303 1.00 0.00 C ATOM 0 H VAL A 54 12.881 0.366 14.007 1.00 0.00 H new ATOM 0 HA VAL A 54 12.366 -2.166 15.432 1.00 0.00 H new ATOM 0 HB VAL A 54 12.936 -2.801 13.194 1.00 0.00 H new ATOM 0 HG11 VAL A 54 14.905 -1.928 12.008 1.00 0.00 H new ATOM 0 HG12 VAL A 54 13.745 -0.638 12.402 1.00 0.00 H new ATOM 0 HG13 VAL A 54 15.230 -0.824 13.365 1.00 0.00 H new ATOM 0 HG21 VAL A 54 15.118 -3.906 13.474 1.00 0.00 H new ATOM 0 HG22 VAL A 54 15.450 -2.883 14.892 1.00 0.00 H new ATOM 0 HG23 VAL A 54 14.111 -4.055 14.933 1.00 0.00 H new ATOM 831 N THR A 55 13.906 -1.276 17.178 1.00 0.00 N ATOM 832 CA THR A 55 14.861 -0.897 18.211 1.00 0.00 C ATOM 833 C THR A 55 15.686 -2.096 18.664 1.00 0.00 C ATOM 834 O THR A 55 15.278 -3.243 18.487 1.00 0.00 O ATOM 835 CB THR A 55 14.152 -0.284 19.433 1.00 0.00 C ATOM 836 OG1 THR A 55 13.111 0.601 19.004 1.00 0.00 O ATOM 837 CG2 THR A 55 15.140 0.474 20.308 1.00 0.00 C ATOM 0 H THR A 55 13.049 -1.702 17.532 1.00 0.00 H new ATOM 0 HA THR A 55 15.522 -0.150 17.772 1.00 0.00 H new ATOM 0 HB THR A 55 13.720 -1.095 20.019 1.00 0.00 H new ATOM 0 HG1 THR A 55 12.664 0.985 19.787 1.00 0.00 H new ATOM 0 HG21 THR A 55 14.616 0.898 21.165 1.00 0.00 H new ATOM 0 HG22 THR A 55 15.915 -0.209 20.658 1.00 0.00 H new ATOM 0 HG23 THR A 55 15.598 1.276 19.729 1.00 0.00 H new ATOM 845 N GLU A 56 16.847 -1.822 19.251 1.00 0.00 N ATOM 846 CA GLU A 56 17.728 -2.881 19.729 1.00 0.00 C ATOM 847 C GLU A 56 17.816 -2.869 21.253 1.00 0.00 C ATOM 848 O GLU A 56 18.274 -3.849 21.838 1.00 0.00 O ATOM 849 CB GLU A 56 19.126 -2.722 19.126 1.00 0.00 C ATOM 850 CG GLU A 56 19.536 -3.878 18.229 1.00 0.00 C ATOM 851 CD GLU A 56 20.760 -4.611 18.744 1.00 0.00 C ATOM 852 OE1 GLU A 56 20.700 -5.144 19.872 1.00 0.00 O ATOM 853 OE2 GLU A 56 21.776 -4.651 18.020 1.00 0.00 O ATOM 0 H GLU A 56 17.199 -0.877 19.407 1.00 0.00 H new ATOM 0 HA GLU A 56 17.310 -3.837 19.414 1.00 0.00 H new ATOM 0 HB2 GLU A 56 19.162 -1.797 18.551 1.00 0.00 H new ATOM 0 HB3 GLU A 56 19.852 -2.624 19.933 1.00 0.00 H new ATOM 0 HG2 GLU A 56 18.706 -4.579 18.145 1.00 0.00 H new ATOM 0 HG3 GLU A 56 19.738 -3.501 17.226 1.00 0.00 H new TER 860 GLU A 56