USER MOD reduce.3.24.130724 H: found=0, std=0, add=485, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 486 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 46 THR OG1 : rot -56:sc= 0.463 USER MOD Set 1.2: A 50 THR OG1 : rot -105:sc= 0.961 USER MOD Set 2.1: A 28 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 36 MET CE :methyl -152:sc= -0.148 (180deg=-1.23) USER MOD Set 3.1: A 9 THR OG1 : rot -95:sc= 0.848 USER MOD Set 3.2: A 19 HIS : no HD1:sc= -0.588! C(o=0.26!,f=-12!) USER MOD Single : A 3 MET CE :methyl 162:sc= -0.0145 (180deg=-0.269) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 5 ASN : amide:sc= -1.53 K(o=-1.5,f=-9.1!) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 TYR OH : rot 165:sc= 0 USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ -158:sc= 1.2 (180deg=0.586) USER MOD Single : A 22 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0478) USER MOD Single : A 25 LYS NZ :NH3+ -112:sc= -1.18 (180deg=-3.43!) USER MOD Single : A 26 MET CE :methyl 131:sc= -0.402 (180deg=-1.44!) USER MOD Single : A 30 ASN : amide:sc= -1.63 K(o=-1.6,f=-13!) USER MOD Single : A 31 LYS NZ :NH3+ -121:sc= 0.0657 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ -167:sc= -0.0511 (180deg=-0.299) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 37 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 MET CE :methyl -132:sc= -0.863 (180deg=-3.5!) USER MOD Single : A 42 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.056) USER MOD Single : A 44 MET CE :methyl 160:sc= -0.995 (180deg=-2.56) USER MOD Single : A 51 LYS NZ :NH3+ -154:sc= 1.22 (180deg=0.206) USER MOD Single : A 54 MET CE :methyl 159:sc= -0.184 (180deg=-0.731) USER MOD Single : A 55 LYS NZ :NH3+ 159:sc= 1.27 (180deg=1.18) USER MOD Single : A 57 ASN : amide:sc= -0.154 X(o=-0.15,f=-0.044) USER MOD ----------------------------------------------------------------- ATOM 31 N MET A 3 10.154 0.774 9.646 1.00 0.96 N ATOM 32 CA MET A 3 8.807 0.735 10.160 1.00 0.96 C ATOM 33 C MET A 3 8.630 1.809 11.217 1.00 0.91 C ATOM 34 O MET A 3 7.721 1.753 12.047 1.00 1.26 O ATOM 35 CB MET A 3 8.502 -0.645 10.731 1.00 1.43 C ATOM 36 CG MET A 3 8.814 -1.783 9.765 1.00 1.59 C ATOM 37 SD MET A 3 7.960 -3.321 10.167 1.00 2.01 S ATOM 38 CE MET A 3 6.294 -2.902 9.663 1.00 2.17 C ATOM 0 HA MET A 3 8.106 0.929 9.348 1.00 0.96 H new ATOM 0 HB2 MET A 3 9.078 -0.787 11.646 1.00 1.43 H new ATOM 0 HB3 MET A 3 7.449 -0.691 11.007 1.00 1.43 H new ATOM 0 HG2 MET A 3 8.540 -1.478 8.755 1.00 1.59 H new ATOM 0 HG3 MET A 3 9.889 -1.963 9.763 1.00 1.59 H new ATOM 0 HE1 MET A 3 5.711 -3.815 9.540 1.00 2.17 H new ATOM 0 HE2 MET A 3 5.830 -2.275 10.424 1.00 2.17 H new ATOM 0 HE3 MET A 3 6.325 -2.361 8.717 1.00 2.17 H new ATOM 48 N SER A 4 9.502 2.800 11.155 1.00 0.78 N ATOM 49 CA SER A 4 9.500 3.893 12.109 1.00 0.78 C ATOM 50 C SER A 4 8.664 5.058 11.592 1.00 0.72 C ATOM 51 O SER A 4 7.842 5.616 12.321 1.00 0.81 O ATOM 52 CB SER A 4 10.935 4.358 12.374 1.00 0.86 C ATOM 53 OG SER A 4 11.770 3.259 12.711 1.00 1.47 O ATOM 0 H SER A 4 10.229 2.869 10.443 1.00 0.78 H new ATOM 0 HA SER A 4 9.059 3.537 13.040 1.00 0.78 H new ATOM 0 HB2 SER A 4 11.328 4.861 11.490 1.00 0.86 H new ATOM 0 HB3 SER A 4 10.942 5.087 13.184 1.00 0.86 H new ATOM 0 HG SER A 4 12.682 3.579 12.874 1.00 1.47 H new ATOM 59 N ASN A 5 8.848 5.403 10.321 1.00 0.64 N ATOM 60 CA ASN A 5 8.182 6.567 9.756 1.00 0.64 C ATOM 61 C ASN A 5 6.927 6.162 9.009 1.00 0.57 C ATOM 62 O ASN A 5 6.152 6.998 8.569 1.00 0.68 O ATOM 63 CB ASN A 5 9.124 7.339 8.826 1.00 0.69 C ATOM 64 CG ASN A 5 8.801 7.178 7.357 1.00 1.19 C ATOM 65 OD1 ASN A 5 8.109 8.001 6.754 1.00 1.89 O ATOM 66 ND2 ASN A 5 9.280 6.100 6.781 1.00 1.24 N ATOM 0 H ASN A 5 9.448 4.897 9.669 1.00 0.64 H new ATOM 0 HA ASN A 5 7.899 7.220 10.581 1.00 0.64 H new ATOM 0 HB2 ASN A 5 9.085 8.398 9.083 1.00 0.69 H new ATOM 0 HB3 ASN A 5 10.147 7.005 9.002 1.00 0.69 H new ATOM 0 HD21 ASN A 5 9.084 5.918 5.797 1.00 1.24 H new ATOM 0 HD22 ASN A 5 9.849 5.445 7.318 1.00 1.24 H new ATOM 73 N VAL A 6 6.704 4.878 8.890 1.00 0.44 N ATOM 74 CA VAL A 6 5.603 4.418 8.088 1.00 0.40 C ATOM 75 C VAL A 6 4.329 4.369 8.931 1.00 0.40 C ATOM 76 O VAL A 6 4.303 3.778 10.012 1.00 0.47 O ATOM 77 CB VAL A 6 5.915 3.056 7.431 1.00 0.43 C ATOM 78 CG1 VAL A 6 5.928 1.910 8.428 1.00 0.98 C ATOM 79 CG2 VAL A 6 4.950 2.785 6.303 1.00 1.25 C ATOM 0 H VAL A 6 7.260 4.145 9.330 1.00 0.44 H new ATOM 0 HA VAL A 6 5.443 5.125 7.274 1.00 0.40 H new ATOM 0 HB VAL A 6 6.925 3.119 7.026 1.00 0.43 H new ATOM 0 HG11 VAL A 6 6.153 0.978 7.909 1.00 0.98 H new ATOM 0 HG12 VAL A 6 6.689 2.096 9.186 1.00 0.98 H new ATOM 0 HG13 VAL A 6 4.951 1.832 8.906 1.00 0.98 H new ATOM 0 HG21 VAL A 6 5.182 1.822 5.849 1.00 1.25 H new ATOM 0 HG22 VAL A 6 3.932 2.767 6.692 1.00 1.25 H new ATOM 0 HG23 VAL A 6 5.038 3.570 5.552 1.00 1.25 H new ATOM 89 N VAL A 7 3.288 5.043 8.452 1.00 0.38 N ATOM 90 CA VAL A 7 2.029 5.121 9.184 1.00 0.41 C ATOM 91 C VAL A 7 1.218 3.846 9.011 1.00 0.37 C ATOM 92 O VAL A 7 0.376 3.515 9.850 1.00 0.42 O ATOM 93 CB VAL A 7 1.174 6.347 8.769 1.00 0.52 C ATOM 94 CG1 VAL A 7 1.744 7.616 9.371 1.00 0.94 C ATOM 95 CG2 VAL A 7 1.094 6.484 7.257 1.00 1.03 C ATOM 0 H VAL A 7 3.291 5.542 7.562 1.00 0.38 H new ATOM 0 HA VAL A 7 2.292 5.242 10.235 1.00 0.41 H new ATOM 0 HB VAL A 7 0.165 6.189 9.150 1.00 0.52 H new ATOM 0 HG11 VAL A 7 1.133 8.467 9.071 1.00 0.94 H new ATOM 0 HG12 VAL A 7 1.744 7.535 10.458 1.00 0.94 H new ATOM 0 HG13 VAL A 7 2.765 7.759 9.018 1.00 0.94 H new ATOM 0 HG21 VAL A 7 0.487 7.353 7.002 1.00 1.03 H new ATOM 0 HG22 VAL A 7 2.097 6.609 6.849 1.00 1.03 H new ATOM 0 HG23 VAL A 7 0.640 5.588 6.834 1.00 1.03 H new ATOM 105 N LYS A 8 1.485 3.129 7.927 1.00 0.34 N ATOM 106 CA LYS A 8 0.852 1.845 7.695 1.00 0.35 C ATOM 107 C LYS A 8 1.536 1.091 6.567 1.00 0.31 C ATOM 108 O LYS A 8 1.824 1.646 5.505 1.00 0.35 O ATOM 109 CB LYS A 8 -0.638 2.006 7.393 1.00 0.44 C ATOM 110 CG LYS A 8 -1.362 0.688 7.191 1.00 0.50 C ATOM 111 CD LYS A 8 -1.352 -0.131 8.466 1.00 0.57 C ATOM 112 CE LYS A 8 -2.132 0.543 9.581 1.00 1.01 C ATOM 113 NZ LYS A 8 -2.092 -0.249 10.836 1.00 1.41 N ATOM 0 H LYS A 8 2.136 3.418 7.197 1.00 0.34 H new ATOM 0 HA LYS A 8 0.955 1.264 8.611 1.00 0.35 H new ATOM 0 HB2 LYS A 8 -1.110 2.548 8.212 1.00 0.44 H new ATOM 0 HB3 LYS A 8 -0.755 2.616 6.497 1.00 0.44 H new ATOM 0 HG2 LYS A 8 -2.390 0.876 6.882 1.00 0.50 H new ATOM 0 HG3 LYS A 8 -0.886 0.125 6.388 1.00 0.50 H new ATOM 0 HD2 LYS A 8 -1.778 -1.115 8.268 1.00 0.57 H new ATOM 0 HD3 LYS A 8 -0.323 -0.289 8.788 1.00 0.57 H new ATOM 0 HE2 LYS A 8 -1.721 1.536 9.764 1.00 1.01 H new ATOM 0 HE3 LYS A 8 -3.168 0.679 9.270 1.00 1.01 H new ATOM 0 HZ1 LYS A 8 -2.635 0.243 11.574 1.00 1.41 H new ATOM 0 HZ2 LYS A 8 -2.507 -1.188 10.668 1.00 1.41 H new ATOM 0 HZ3 LYS A 8 -1.105 -0.358 11.147 1.00 1.41 H new ATOM 127 N THR A 9 1.800 -0.173 6.824 1.00 0.33 N ATOM 128 CA THR A 9 2.358 -1.063 5.832 1.00 0.32 C ATOM 129 C THR A 9 1.321 -2.110 5.442 1.00 0.35 C ATOM 130 O THR A 9 0.579 -2.613 6.288 1.00 0.39 O ATOM 131 CB THR A 9 3.655 -1.727 6.353 1.00 0.33 C ATOM 132 OG1 THR A 9 4.752 -0.811 6.230 1.00 0.40 O ATOM 133 CG2 THR A 9 3.980 -3.021 5.617 1.00 0.33 C ATOM 0 H THR A 9 1.633 -0.612 7.730 1.00 0.33 H new ATOM 0 HA THR A 9 2.622 -0.486 4.946 1.00 0.32 H new ATOM 0 HB THR A 9 3.493 -1.980 7.401 1.00 0.33 H new ATOM 0 HG1 THR A 9 5.229 -0.982 5.391 1.00 0.40 H new ATOM 0 HG21 THR A 9 4.899 -3.448 6.020 1.00 0.33 H new ATOM 0 HG22 THR A 9 3.162 -3.730 5.749 1.00 0.33 H new ATOM 0 HG23 THR A 9 4.112 -2.812 4.555 1.00 0.33 H new ATOM 141 N TYR A 10 1.270 -2.411 4.162 1.00 0.37 N ATOM 142 CA TYR A 10 0.308 -3.341 3.628 1.00 0.42 C ATOM 143 C TYR A 10 0.967 -4.560 3.073 1.00 0.38 C ATOM 144 O TYR A 10 1.908 -4.495 2.281 1.00 0.35 O ATOM 145 CB TYR A 10 -0.579 -2.668 2.591 1.00 0.47 C ATOM 146 CG TYR A 10 -1.594 -1.785 3.249 1.00 0.60 C ATOM 147 CD1 TYR A 10 -2.423 -2.311 4.222 1.00 0.70 C ATOM 148 CD2 TYR A 10 -1.706 -0.440 2.937 1.00 0.68 C ATOM 149 CE1 TYR A 10 -3.343 -1.531 4.871 1.00 0.84 C ATOM 150 CE2 TYR A 10 -2.627 0.360 3.585 1.00 0.82 C ATOM 151 CZ TYR A 10 -3.448 -0.191 4.555 1.00 0.91 C ATOM 152 OH TYR A 10 -4.371 0.601 5.203 1.00 1.06 O ATOM 0 H TYR A 10 1.898 -2.014 3.463 1.00 0.37 H new ATOM 0 HA TYR A 10 -0.327 -3.668 4.451 1.00 0.42 H new ATOM 0 HB2 TYR A 10 0.034 -2.079 1.909 1.00 0.47 H new ATOM 0 HB3 TYR A 10 -1.084 -3.426 1.992 1.00 0.47 H new ATOM 0 HD1 TYR A 10 -2.344 -3.358 4.476 1.00 0.70 H new ATOM 0 HD2 TYR A 10 -1.066 -0.012 2.179 1.00 0.68 H new ATOM 0 HE1 TYR A 10 -3.983 -1.962 5.626 1.00 0.84 H new ATOM 0 HE2 TYR A 10 -2.706 1.408 3.337 1.00 0.82 H new ATOM 0 HH TYR A 10 -4.160 1.545 5.045 1.00 1.06 H new ATOM 162 N ASP A 11 0.447 -5.669 3.515 1.00 0.42 N ATOM 163 CA ASP A 11 0.941 -6.961 3.114 1.00 0.42 C ATOM 164 C ASP A 11 0.019 -7.509 2.056 1.00 0.39 C ATOM 165 O ASP A 11 -1.189 -7.613 2.259 1.00 0.40 O ATOM 166 CB ASP A 11 1.040 -7.921 4.304 1.00 0.52 C ATOM 167 CG ASP A 11 1.949 -7.400 5.402 1.00 1.25 C ATOM 168 OD1 ASP A 11 3.185 -7.509 5.261 1.00 1.94 O ATOM 169 OD2 ASP A 11 1.428 -6.886 6.416 1.00 1.69 O ATOM 0 H ASP A 11 -0.336 -5.706 4.167 1.00 0.42 H new ATOM 0 HA ASP A 11 1.950 -6.855 2.714 1.00 0.42 H new ATOM 0 HB2 ASP A 11 0.044 -8.091 4.713 1.00 0.52 H new ATOM 0 HB3 ASP A 11 1.411 -8.886 3.958 1.00 0.52 H new ATOM 174 N LEU A 12 0.593 -7.844 0.928 1.00 0.38 N ATOM 175 CA LEU A 12 -0.185 -8.267 -0.230 1.00 0.41 C ATOM 176 C LEU A 12 -0.670 -9.703 -0.104 1.00 0.54 C ATOM 177 O LEU A 12 -1.200 -10.265 -1.061 1.00 1.50 O ATOM 178 CB LEU A 12 0.602 -8.090 -1.522 1.00 0.40 C ATOM 179 CG LEU A 12 0.614 -6.661 -2.056 1.00 0.46 C ATOM 180 CD1 LEU A 12 1.401 -5.733 -1.158 1.00 1.04 C ATOM 181 CD2 LEU A 12 1.126 -6.634 -3.479 1.00 1.04 C ATOM 0 H LEU A 12 1.602 -7.835 0.778 1.00 0.38 H new ATOM 0 HA LEU A 12 -1.063 -7.622 -0.265 1.00 0.41 H new ATOM 0 HB2 LEU A 12 1.630 -8.412 -1.355 1.00 0.40 H new ATOM 0 HB3 LEU A 12 0.181 -8.747 -2.283 1.00 0.40 H new ATOM 0 HG LEU A 12 -0.412 -6.293 -2.060 1.00 0.46 H new ATOM 0 HD11 LEU A 12 1.385 -4.725 -1.573 1.00 1.04 H new ATOM 0 HD12 LEU A 12 0.954 -5.723 -0.164 1.00 1.04 H new ATOM 0 HD13 LEU A 12 2.432 -6.081 -1.089 1.00 1.04 H new ATOM 0 HD21 LEU A 12 1.128 -5.607 -3.845 1.00 1.04 H new ATOM 0 HD22 LEU A 12 2.140 -7.032 -3.508 1.00 1.04 H new ATOM 0 HD23 LEU A 12 0.479 -7.243 -4.110 1.00 1.04 H new ATOM 193 N GLN A 13 -0.409 -10.311 1.051 1.00 0.65 N ATOM 194 CA GLN A 13 -1.032 -11.581 1.437 1.00 0.62 C ATOM 195 C GLN A 13 -0.289 -12.751 0.799 1.00 0.62 C ATOM 196 O GLN A 13 -0.264 -13.859 1.337 1.00 0.74 O ATOM 197 CB GLN A 13 -2.521 -11.601 1.059 1.00 0.69 C ATOM 198 CG GLN A 13 -3.291 -12.779 1.625 1.00 0.89 C ATOM 199 CD GLN A 13 -4.750 -12.760 1.219 1.00 1.08 C ATOM 200 OE1 GLN A 13 -5.600 -12.229 1.936 1.00 1.68 O ATOM 201 NE2 GLN A 13 -5.048 -13.331 0.064 1.00 1.61 N ATOM 0 H GLN A 13 0.239 -9.940 1.746 1.00 0.65 H new ATOM 0 HA GLN A 13 -0.965 -11.682 2.520 1.00 0.62 H new ATOM 0 HB2 GLN A 13 -2.985 -10.678 1.406 1.00 0.69 H new ATOM 0 HB3 GLN A 13 -2.608 -11.613 -0.027 1.00 0.69 H new ATOM 0 HG2 GLN A 13 -2.833 -13.707 1.284 1.00 0.89 H new ATOM 0 HG3 GLN A 13 -3.219 -12.769 2.713 1.00 0.89 H new ATOM 0 HE21 GLN A 13 -4.312 -13.759 -0.498 1.00 1.61 H new ATOM 0 HE22 GLN A 13 -6.013 -13.343 -0.265 1.00 1.61 H new ATOM 210 N ASP A 14 0.337 -12.480 -0.335 1.00 0.55 N ATOM 211 CA ASP A 14 1.063 -13.490 -1.085 1.00 0.64 C ATOM 212 C ASP A 14 2.559 -13.325 -0.873 1.00 0.54 C ATOM 213 O ASP A 14 3.267 -14.284 -0.559 1.00 0.70 O ATOM 214 CB ASP A 14 0.734 -13.376 -2.576 1.00 0.80 C ATOM 215 CG ASP A 14 1.551 -14.328 -3.425 1.00 1.46 C ATOM 216 OD1 ASP A 14 1.155 -15.504 -3.558 1.00 1.98 O ATOM 217 OD2 ASP A 14 2.593 -13.903 -3.967 1.00 2.11 O ATOM 0 H ASP A 14 0.356 -11.553 -0.761 1.00 0.55 H new ATOM 0 HA ASP A 14 0.761 -14.475 -0.729 1.00 0.64 H new ATOM 0 HB2 ASP A 14 -0.326 -13.578 -2.727 1.00 0.80 H new ATOM 0 HB3 ASP A 14 0.914 -12.353 -2.907 1.00 0.80 H new ATOM 222 N GLY A 15 3.036 -12.098 -1.042 1.00 0.55 N ATOM 223 CA GLY A 15 4.451 -11.860 -0.881 1.00 0.73 C ATOM 224 C GLY A 15 4.854 -10.405 -0.772 1.00 0.75 C ATOM 225 O GLY A 15 5.572 -10.031 0.154 1.00 1.28 O ATOM 0 H GLY A 15 2.478 -11.279 -1.283 1.00 0.55 H new ATOM 0 HA2 GLY A 15 4.791 -12.382 0.013 1.00 0.73 H new ATOM 0 HA3 GLY A 15 4.976 -12.303 -1.727 1.00 0.73 H new ATOM 229 N SER A 16 4.430 -9.585 -1.719 1.00 0.37 N ATOM 230 CA SER A 16 4.914 -8.216 -1.786 1.00 0.35 C ATOM 231 C SER A 16 4.356 -7.380 -0.645 1.00 0.29 C ATOM 232 O SER A 16 3.381 -7.766 0.006 1.00 0.33 O ATOM 233 CB SER A 16 4.531 -7.593 -3.120 1.00 0.44 C ATOM 234 OG SER A 16 4.769 -8.492 -4.192 1.00 1.07 O ATOM 0 H SER A 16 3.759 -9.839 -2.444 1.00 0.37 H new ATOM 0 HA SER A 16 6.000 -8.236 -1.694 1.00 0.35 H new ATOM 0 HB2 SER A 16 3.478 -7.312 -3.104 1.00 0.44 H new ATOM 0 HB3 SER A 16 5.103 -6.678 -3.275 1.00 0.44 H new ATOM 0 HG SER A 16 4.513 -8.068 -5.038 1.00 1.07 H new ATOM 240 N LYS A 17 4.996 -6.254 -0.386 1.00 0.26 N ATOM 241 CA LYS A 17 4.515 -5.322 0.611 1.00 0.28 C ATOM 242 C LYS A 17 4.443 -3.910 0.041 1.00 0.30 C ATOM 243 O LYS A 17 5.267 -3.516 -0.781 1.00 0.43 O ATOM 244 CB LYS A 17 5.445 -5.313 1.825 1.00 0.31 C ATOM 245 CG LYS A 17 5.723 -6.678 2.428 1.00 0.71 C ATOM 246 CD LYS A 17 6.451 -6.533 3.754 1.00 0.66 C ATOM 247 CE LYS A 17 6.712 -7.877 4.414 1.00 0.84 C ATOM 248 NZ LYS A 17 5.456 -8.616 4.701 1.00 1.84 N ATOM 0 H LYS A 17 5.854 -5.964 -0.856 1.00 0.26 H new ATOM 0 HA LYS A 17 3.518 -5.644 0.911 1.00 0.28 H new ATOM 0 HB2 LYS A 17 6.393 -4.860 1.535 1.00 0.31 H new ATOM 0 HB3 LYS A 17 5.009 -4.675 2.593 1.00 0.31 H new ATOM 0 HG2 LYS A 17 4.786 -7.214 2.577 1.00 0.71 H new ATOM 0 HG3 LYS A 17 6.324 -7.271 1.739 1.00 0.71 H new ATOM 0 HD2 LYS A 17 7.399 -6.019 3.592 1.00 0.66 H new ATOM 0 HD3 LYS A 17 5.860 -5.909 4.425 1.00 0.66 H new ATOM 0 HE2 LYS A 17 7.346 -8.481 3.765 1.00 0.84 H new ATOM 0 HE3 LYS A 17 7.261 -7.723 5.343 1.00 0.84 H new ATOM 0 HZ1 LYS A 17 5.628 -9.313 5.453 1.00 1.84 H new ATOM 0 HZ2 LYS A 17 4.722 -7.947 5.010 1.00 1.84 H new ATOM 0 HZ3 LYS A 17 5.137 -9.106 3.841 1.00 1.84 H new ATOM 262 N VAL A 18 3.457 -3.163 0.498 1.00 0.28 N ATOM 263 CA VAL A 18 3.291 -1.764 0.137 1.00 0.30 C ATOM 264 C VAL A 18 3.294 -0.936 1.410 1.00 0.31 C ATOM 265 O VAL A 18 2.844 -1.404 2.442 1.00 0.41 O ATOM 266 CB VAL A 18 1.960 -1.554 -0.620 1.00 0.35 C ATOM 267 CG1 VAL A 18 1.624 -0.075 -0.759 1.00 0.39 C ATOM 268 CG2 VAL A 18 2.025 -2.206 -1.993 1.00 0.36 C ATOM 0 H VAL A 18 2.741 -3.511 1.136 1.00 0.28 H new ATOM 0 HA VAL A 18 4.107 -1.456 -0.517 1.00 0.30 H new ATOM 0 HB VAL A 18 1.169 -2.025 -0.036 1.00 0.35 H new ATOM 0 HG11 VAL A 18 0.682 0.035 -1.296 1.00 0.39 H new ATOM 0 HG12 VAL A 18 1.532 0.372 0.231 1.00 0.39 H new ATOM 0 HG13 VAL A 18 2.418 0.428 -1.311 1.00 0.39 H new ATOM 0 HG21 VAL A 18 1.081 -2.050 -2.515 1.00 0.36 H new ATOM 0 HG22 VAL A 18 2.836 -1.761 -2.569 1.00 0.36 H new ATOM 0 HG23 VAL A 18 2.205 -3.275 -1.880 1.00 0.36 H new ATOM 278 N HIS A 19 3.834 0.265 1.372 1.00 0.29 N ATOM 279 CA HIS A 19 3.861 1.084 2.574 1.00 0.29 C ATOM 280 C HIS A 19 3.461 2.504 2.268 1.00 0.30 C ATOM 281 O HIS A 19 3.934 3.091 1.301 1.00 0.34 O ATOM 282 CB HIS A 19 5.248 1.096 3.226 1.00 0.32 C ATOM 283 CG HIS A 19 6.026 -0.169 3.079 1.00 0.32 C ATOM 284 ND1 HIS A 19 5.543 -1.413 3.410 1.00 0.67 N ATOM 285 CD2 HIS A 19 7.260 -0.367 2.599 1.00 0.37 C ATOM 286 CE1 HIS A 19 6.453 -2.325 3.133 1.00 0.66 C ATOM 287 NE2 HIS A 19 7.505 -1.716 2.634 1.00 0.41 N ATOM 0 H HIS A 19 4.252 0.691 0.545 1.00 0.29 H new ATOM 0 HA HIS A 19 3.148 0.639 3.268 1.00 0.29 H new ATOM 0 HB2 HIS A 19 5.828 1.913 2.796 1.00 0.32 H new ATOM 0 HB3 HIS A 19 5.132 1.312 4.288 1.00 0.32 H new ATOM 0 HD2 HIS A 19 7.939 0.396 2.248 1.00 0.37 H new ATOM 0 HE1 HIS A 19 6.352 -3.389 3.289 1.00 0.66 H new ATOM 0 HE2 HIS A 19 8.363 -2.172 2.324 1.00 0.41 H new ATOM 296 N VAL A 20 2.593 3.043 3.101 1.00 0.31 N ATOM 297 CA VAL A 20 2.266 4.447 3.046 1.00 0.33 C ATOM 298 C VAL A 20 3.023 5.128 4.169 1.00 0.32 C ATOM 299 O VAL A 20 2.804 4.839 5.348 1.00 0.33 O ATOM 300 CB VAL A 20 0.752 4.709 3.187 1.00 0.40 C ATOM 301 CG1 VAL A 20 0.463 6.207 3.160 1.00 0.56 C ATOM 302 CG2 VAL A 20 -0.018 4.000 2.080 1.00 0.81 C ATOM 0 H VAL A 20 2.101 2.523 3.827 1.00 0.31 H new ATOM 0 HA VAL A 20 2.552 4.843 2.072 1.00 0.33 H new ATOM 0 HB VAL A 20 0.423 4.311 4.147 1.00 0.40 H new ATOM 0 HG11 VAL A 20 -0.610 6.372 3.261 1.00 0.56 H new ATOM 0 HG12 VAL A 20 0.984 6.693 3.985 1.00 0.56 H new ATOM 0 HG13 VAL A 20 0.808 6.627 2.215 1.00 0.56 H new ATOM 0 HG21 VAL A 20 -1.084 4.196 2.195 1.00 0.81 H new ATOM 0 HG22 VAL A 20 0.316 4.369 1.110 1.00 0.81 H new ATOM 0 HG23 VAL A 20 0.162 2.927 2.141 1.00 0.81 H new ATOM 312 N PHE A 21 3.940 5.990 3.803 1.00 0.34 N ATOM 313 CA PHE A 21 4.851 6.571 4.760 1.00 0.37 C ATOM 314 C PHE A 21 4.290 7.879 5.306 1.00 0.39 C ATOM 315 O PHE A 21 3.422 8.489 4.688 1.00 0.40 O ATOM 316 CB PHE A 21 6.220 6.774 4.109 1.00 0.40 C ATOM 317 CG PHE A 21 6.903 5.475 3.759 1.00 0.41 C ATOM 318 CD1 PHE A 21 7.600 4.733 4.717 1.00 0.58 C ATOM 319 CD2 PHE A 21 6.840 4.986 2.464 1.00 0.37 C ATOM 320 CE1 PHE A 21 8.206 3.541 4.376 1.00 0.64 C ATOM 321 CE2 PHE A 21 7.447 3.793 2.127 1.00 0.39 C ATOM 322 CZ PHE A 21 8.196 3.090 3.143 1.00 0.51 C ATOM 0 H PHE A 21 4.076 6.307 2.843 1.00 0.34 H new ATOM 0 HA PHE A 21 4.971 5.892 5.604 1.00 0.37 H new ATOM 0 HB2 PHE A 21 6.102 7.371 3.205 1.00 0.40 H new ATOM 0 HB3 PHE A 21 6.858 7.343 4.786 1.00 0.40 H new ATOM 0 HD1 PHE A 21 7.665 5.096 5.732 1.00 0.58 H new ATOM 0 HD2 PHE A 21 6.309 5.546 1.708 1.00 0.37 H new ATOM 0 HE1 PHE A 21 8.701 2.964 5.143 1.00 0.64 H new ATOM 0 HE2 PHE A 21 7.364 3.394 1.127 1.00 0.39 H new ATOM 0 HZ PHE A 21 8.746 2.196 2.889 1.00 0.51 H new ATOM 332 N LYS A 22 4.784 8.305 6.463 1.00 0.44 N ATOM 333 CA LYS A 22 4.276 9.509 7.119 1.00 0.50 C ATOM 334 C LYS A 22 4.660 10.744 6.314 1.00 0.52 C ATOM 335 O LYS A 22 4.066 11.811 6.452 1.00 0.57 O ATOM 336 CB LYS A 22 4.836 9.609 8.540 1.00 0.61 C ATOM 337 CG LYS A 22 6.291 10.019 8.587 1.00 1.37 C ATOM 338 CD LYS A 22 6.796 10.154 10.021 1.00 1.46 C ATOM 339 CE LYS A 22 6.080 11.271 10.776 1.00 2.02 C ATOM 340 NZ LYS A 22 6.411 12.620 10.235 1.00 2.87 N ATOM 0 H LYS A 22 5.536 7.836 6.968 1.00 0.44 H new ATOM 0 HA LYS A 22 3.189 9.450 7.174 1.00 0.50 H new ATOM 0 HB2 LYS A 22 4.245 10.330 9.105 1.00 0.61 H new ATOM 0 HB3 LYS A 22 4.722 8.645 9.036 1.00 0.61 H new ATOM 0 HG2 LYS A 22 6.894 9.281 8.057 1.00 1.37 H new ATOM 0 HG3 LYS A 22 6.418 10.968 8.066 1.00 1.37 H new ATOM 0 HD2 LYS A 22 6.651 9.210 10.547 1.00 1.46 H new ATOM 0 HD3 LYS A 22 7.868 10.352 10.011 1.00 1.46 H new ATOM 0 HE2 LYS A 22 5.003 11.113 10.719 1.00 2.02 H new ATOM 0 HE3 LYS A 22 6.353 11.227 11.830 1.00 2.02 H new ATOM 0 HZ1 LYS A 22 5.999 13.351 10.849 1.00 2.87 H new ATOM 0 HZ2 LYS A 22 7.444 12.737 10.203 1.00 2.87 H new ATOM 0 HZ3 LYS A 22 6.022 12.714 9.275 1.00 2.87 H new ATOM 354 N ASP A 23 5.656 10.563 5.454 1.00 0.54 N ATOM 355 CA ASP A 23 6.153 11.606 4.584 1.00 0.61 C ATOM 356 C ASP A 23 5.205 11.724 3.417 1.00 0.59 C ATOM 357 O ASP A 23 5.281 12.636 2.597 1.00 0.67 O ATOM 358 CB ASP A 23 7.569 11.244 4.115 1.00 0.68 C ATOM 359 CG ASP A 23 8.219 12.322 3.273 1.00 1.29 C ATOM 360 OD1 ASP A 23 8.747 13.292 3.848 1.00 1.91 O ATOM 361 OD2 ASP A 23 8.182 12.214 2.029 1.00 1.97 O ATOM 0 H ASP A 23 6.143 9.673 5.345 1.00 0.54 H new ATOM 0 HA ASP A 23 6.207 12.562 5.104 1.00 0.61 H new ATOM 0 HB2 ASP A 23 8.193 11.049 4.987 1.00 0.68 H new ATOM 0 HB3 ASP A 23 7.528 10.319 3.539 1.00 0.68 H new ATOM 366 N GLY A 24 4.286 10.775 3.380 1.00 0.53 N ATOM 367 CA GLY A 24 3.265 10.769 2.387 1.00 0.53 C ATOM 368 C GLY A 24 3.621 9.952 1.173 1.00 0.53 C ATOM 369 O GLY A 24 2.798 9.776 0.280 1.00 0.58 O ATOM 0 H GLY A 24 4.240 9.998 4.040 1.00 0.53 H new ATOM 0 HA2 GLY A 24 2.346 10.378 2.823 1.00 0.53 H new ATOM 0 HA3 GLY A 24 3.061 11.795 2.079 1.00 0.53 H new ATOM 373 N LYS A 25 4.851 9.454 1.122 1.00 0.50 N ATOM 374 CA LYS A 25 5.276 8.604 0.024 1.00 0.51 C ATOM 375 C LYS A 25 4.799 7.180 0.209 1.00 0.42 C ATOM 376 O LYS A 25 4.239 6.821 1.243 1.00 0.41 O ATOM 377 CB LYS A 25 6.786 8.602 -0.091 1.00 0.62 C ATOM 378 CG LYS A 25 7.333 9.924 -0.557 1.00 0.94 C ATOM 379 CD LYS A 25 8.841 9.907 -0.652 1.00 1.49 C ATOM 380 CE LYS A 25 9.505 9.750 0.711 1.00 1.50 C ATOM 381 NZ LYS A 25 9.562 8.334 1.165 1.00 1.74 N ATOM 0 H LYS A 25 5.567 9.625 1.828 1.00 0.50 H new ATOM 0 HA LYS A 25 4.834 9.009 -0.886 1.00 0.51 H new ATOM 0 HB2 LYS A 25 7.220 8.355 0.878 1.00 0.62 H new ATOM 0 HB3 LYS A 25 7.093 7.821 -0.786 1.00 0.62 H new ATOM 0 HG2 LYS A 25 6.910 10.169 -1.532 1.00 0.94 H new ATOM 0 HG3 LYS A 25 7.021 10.709 0.132 1.00 0.94 H new ATOM 0 HD2 LYS A 25 9.153 9.089 -1.302 1.00 1.49 H new ATOM 0 HD3 LYS A 25 9.184 10.832 -1.116 1.00 1.49 H new ATOM 0 HE2 LYS A 25 10.517 10.153 0.666 1.00 1.50 H new ATOM 0 HE3 LYS A 25 8.959 10.341 1.446 1.00 1.50 H new ATOM 0 HZ1 LYS A 25 8.935 8.207 1.985 1.00 1.74 H new ATOM 0 HZ2 LYS A 25 9.254 7.709 0.393 1.00 1.74 H new ATOM 0 HZ3 LYS A 25 10.537 8.095 1.435 1.00 1.74 H new ATOM 395 N MET A 26 5.066 6.376 -0.793 1.00 0.42 N ATOM 396 CA MET A 26 4.707 4.971 -0.776 1.00 0.41 C ATOM 397 C MET A 26 5.864 4.145 -1.301 1.00 0.42 C ATOM 398 O MET A 26 6.513 4.524 -2.275 1.00 0.49 O ATOM 399 CB MET A 26 3.464 4.687 -1.626 1.00 0.47 C ATOM 400 CG MET A 26 2.212 5.434 -1.189 1.00 0.73 C ATOM 401 SD MET A 26 2.113 7.102 -1.868 1.00 1.07 S ATOM 402 CE MET A 26 2.081 6.755 -3.626 1.00 0.76 C ATOM 0 H MET A 26 5.539 6.675 -1.646 1.00 0.42 H new ATOM 0 HA MET A 26 4.481 4.702 0.256 1.00 0.41 H new ATOM 0 HB2 MET A 26 3.682 4.945 -2.662 1.00 0.47 H new ATOM 0 HB3 MET A 26 3.260 3.617 -1.601 1.00 0.47 H new ATOM 0 HG2 MET A 26 1.332 4.869 -1.498 1.00 0.73 H new ATOM 0 HG3 MET A 26 2.190 5.489 -0.101 1.00 0.73 H new ATOM 0 HE1 MET A 26 1.265 7.308 -4.091 1.00 0.76 H new ATOM 0 HE2 MET A 26 3.027 7.059 -4.074 1.00 0.76 H new ATOM 0 HE3 MET A 26 1.932 5.687 -3.783 1.00 0.76 H new ATOM 412 N GLY A 27 6.125 3.028 -0.647 1.00 0.39 N ATOM 413 CA GLY A 27 7.203 2.164 -1.066 1.00 0.39 C ATOM 414 C GLY A 27 6.763 0.723 -1.163 1.00 0.32 C ATOM 415 O GLY A 27 5.967 0.264 -0.345 1.00 0.33 O ATOM 0 H GLY A 27 5.607 2.703 0.170 1.00 0.39 H new ATOM 0 HA2 GLY A 27 7.578 2.495 -2.034 1.00 0.39 H new ATOM 0 HA3 GLY A 27 8.029 2.245 -0.359 1.00 0.39 H new ATOM 419 N MET A 28 7.264 0.012 -2.157 1.00 0.28 N ATOM 420 CA MET A 28 6.884 -1.374 -2.366 1.00 0.27 C ATOM 421 C MET A 28 8.090 -2.297 -2.248 1.00 0.26 C ATOM 422 O MET A 28 9.198 -1.948 -2.659 1.00 0.31 O ATOM 423 CB MET A 28 6.233 -1.547 -3.738 1.00 0.34 C ATOM 424 CG MET A 28 5.709 -2.952 -3.987 1.00 0.45 C ATOM 425 SD MET A 28 5.089 -3.178 -5.661 1.00 0.87 S ATOM 426 CE MET A 28 4.487 -4.861 -5.575 1.00 0.72 C ATOM 0 H MET A 28 7.937 0.372 -2.834 1.00 0.28 H new ATOM 0 HA MET A 28 6.166 -1.643 -1.592 1.00 0.27 H new ATOM 0 HB2 MET A 28 5.410 -0.839 -3.833 1.00 0.34 H new ATOM 0 HB3 MET A 28 6.960 -1.297 -4.511 1.00 0.34 H new ATOM 0 HG2 MET A 28 6.507 -3.671 -3.800 1.00 0.45 H new ATOM 0 HG3 MET A 28 4.911 -3.169 -3.277 1.00 0.45 H new ATOM 0 HE1 MET A 28 4.071 -5.148 -6.541 1.00 0.72 H new ATOM 0 HE2 MET A 28 5.310 -5.529 -5.321 1.00 0.72 H new ATOM 0 HE3 MET A 28 3.713 -4.932 -4.811 1.00 0.72 H new ATOM 436 N GLU A 29 7.861 -3.464 -1.674 1.00 0.24 N ATOM 437 CA GLU A 29 8.858 -4.516 -1.603 1.00 0.26 C ATOM 438 C GLU A 29 8.249 -5.802 -2.124 1.00 0.27 C ATOM 439 O GLU A 29 7.051 -6.015 -1.986 1.00 0.29 O ATOM 440 CB GLU A 29 9.352 -4.705 -0.166 1.00 0.34 C ATOM 441 CG GLU A 29 10.396 -3.686 0.244 1.00 0.47 C ATOM 442 CD GLU A 29 10.572 -3.584 1.746 1.00 0.56 C ATOM 443 OE1 GLU A 29 9.603 -3.205 2.430 1.00 0.68 O ATOM 444 OE2 GLU A 29 11.685 -3.870 2.246 1.00 1.14 O ATOM 0 H GLU A 29 6.971 -3.710 -1.241 1.00 0.24 H new ATOM 0 HA GLU A 29 9.717 -4.239 -2.214 1.00 0.26 H new ATOM 0 HB2 GLU A 29 8.503 -4.640 0.515 1.00 0.34 H new ATOM 0 HB3 GLU A 29 9.770 -5.706 -0.061 1.00 0.34 H new ATOM 0 HG2 GLU A 29 11.351 -3.951 -0.210 1.00 0.47 H new ATOM 0 HG3 GLU A 29 10.115 -2.709 -0.150 1.00 0.47 H new ATOM 451 N ASN A 30 9.049 -6.646 -2.743 1.00 0.32 N ATOM 452 CA ASN A 30 8.537 -7.903 -3.265 1.00 0.39 C ATOM 453 C ASN A 30 8.587 -8.980 -2.191 1.00 0.42 C ATOM 454 O ASN A 30 9.111 -8.754 -1.101 1.00 0.42 O ATOM 455 CB ASN A 30 9.318 -8.351 -4.508 1.00 0.47 C ATOM 456 CG ASN A 30 10.802 -8.532 -4.256 1.00 0.79 C ATOM 457 OD1 ASN A 30 11.236 -8.758 -3.133 1.00 1.41 O ATOM 458 ND2 ASN A 30 11.593 -8.458 -5.304 1.00 1.12 N ATOM 0 H ASN A 30 10.045 -6.490 -2.897 1.00 0.32 H new ATOM 0 HA ASN A 30 7.500 -7.746 -3.561 1.00 0.39 H new ATOM 0 HB2 ASN A 30 8.902 -9.291 -4.870 1.00 0.47 H new ATOM 0 HB3 ASN A 30 9.179 -7.615 -5.300 1.00 0.47 H new ATOM 0 HD21 ASN A 30 12.598 -8.590 -5.194 1.00 1.12 H new ATOM 0 HD22 ASN A 30 11.201 -8.268 -6.226 1.00 1.12 H new ATOM 465 N LYS A 31 8.002 -10.131 -2.494 1.00 0.48 N ATOM 466 CA LYS A 31 8.045 -11.296 -1.607 1.00 0.54 C ATOM 467 C LYS A 31 9.463 -11.668 -1.158 1.00 0.58 C ATOM 468 O LYS A 31 9.635 -12.406 -0.185 1.00 0.69 O ATOM 469 CB LYS A 31 7.388 -12.487 -2.301 1.00 0.62 C ATOM 470 CG LYS A 31 8.162 -13.024 -3.490 1.00 0.66 C ATOM 471 CD LYS A 31 7.339 -14.044 -4.260 1.00 0.78 C ATOM 472 CE LYS A 31 6.125 -13.401 -4.907 1.00 1.32 C ATOM 473 NZ LYS A 31 5.314 -14.380 -5.676 1.00 1.77 N ATOM 0 H LYS A 31 7.484 -10.288 -3.359 1.00 0.48 H new ATOM 0 HA LYS A 31 7.497 -11.028 -0.704 1.00 0.54 H new ATOM 0 HB2 LYS A 31 7.259 -13.289 -1.575 1.00 0.62 H new ATOM 0 HB3 LYS A 31 6.392 -12.194 -2.633 1.00 0.62 H new ATOM 0 HG2 LYS A 31 8.438 -12.202 -4.150 1.00 0.66 H new ATOM 0 HG3 LYS A 31 9.089 -13.483 -3.147 1.00 0.66 H new ATOM 0 HD2 LYS A 31 7.958 -14.509 -5.027 1.00 0.78 H new ATOM 0 HD3 LYS A 31 7.017 -14.837 -3.586 1.00 0.78 H new ATOM 0 HE2 LYS A 31 5.504 -12.943 -4.137 1.00 1.32 H new ATOM 0 HE3 LYS A 31 6.451 -12.600 -5.571 1.00 1.32 H new ATOM 0 HZ1 LYS A 31 5.255 -14.078 -6.669 1.00 1.77 H new ATOM 0 HZ2 LYS A 31 5.762 -15.317 -5.626 1.00 1.77 H new ATOM 0 HZ3 LYS A 31 4.357 -14.431 -5.272 1.00 1.77 H new ATOM 487 N PHE A 32 10.471 -11.159 -1.852 1.00 0.58 N ATOM 488 CA PHE A 32 11.853 -11.465 -1.524 1.00 0.63 C ATOM 489 C PHE A 32 12.430 -10.403 -0.590 1.00 0.56 C ATOM 490 O PHE A 32 13.566 -10.519 -0.132 1.00 0.62 O ATOM 491 CB PHE A 32 12.697 -11.547 -2.800 1.00 0.69 C ATOM 492 CG PHE A 32 12.166 -12.522 -3.815 1.00 0.80 C ATOM 493 CD1 PHE A 32 12.477 -13.870 -3.731 1.00 0.95 C ATOM 494 CD2 PHE A 32 11.358 -12.089 -4.853 1.00 0.83 C ATOM 495 CE1 PHE A 32 11.990 -14.767 -4.664 1.00 1.08 C ATOM 496 CE2 PHE A 32 10.870 -12.981 -5.788 1.00 0.96 C ATOM 497 CZ PHE A 32 11.186 -14.320 -5.693 1.00 1.07 C ATOM 0 H PHE A 32 10.355 -10.531 -2.647 1.00 0.58 H new ATOM 0 HA PHE A 32 11.878 -12.430 -1.018 1.00 0.63 H new ATOM 0 HB2 PHE A 32 12.751 -10.557 -3.254 1.00 0.69 H new ATOM 0 HB3 PHE A 32 13.715 -11.832 -2.534 1.00 0.69 H new ATOM 0 HD1 PHE A 32 13.107 -14.224 -2.928 1.00 0.95 H new ATOM 0 HD2 PHE A 32 11.106 -11.042 -4.932 1.00 0.83 H new ATOM 0 HE1 PHE A 32 12.238 -15.815 -4.588 1.00 1.08 H new ATOM 0 HE2 PHE A 32 10.241 -12.630 -6.593 1.00 0.96 H new ATOM 0 HZ PHE A 32 10.805 -15.018 -6.423 1.00 1.07 H new ATOM 507 N GLY A 33 11.646 -9.365 -0.313 1.00 0.49 N ATOM 508 CA GLY A 33 12.079 -8.329 0.602 1.00 0.49 C ATOM 509 C GLY A 33 12.856 -7.248 -0.103 1.00 0.45 C ATOM 510 O GLY A 33 13.627 -6.513 0.513 1.00 0.54 O ATOM 0 H GLY A 33 10.716 -9.225 -0.708 1.00 0.49 H new ATOM 0 HA2 GLY A 33 11.210 -7.891 1.092 1.00 0.49 H new ATOM 0 HA3 GLY A 33 12.697 -8.770 1.384 1.00 0.49 H new ATOM 514 N LYS A 34 12.662 -7.164 -1.403 1.00 0.42 N ATOM 515 CA LYS A 34 13.397 -6.214 -2.216 1.00 0.52 C ATOM 516 C LYS A 34 12.528 -5.064 -2.654 1.00 0.38 C ATOM 517 O LYS A 34 11.373 -5.242 -3.032 1.00 0.72 O ATOM 518 CB LYS A 34 13.985 -6.904 -3.434 1.00 0.85 C ATOM 519 CG LYS A 34 15.000 -7.956 -3.069 1.00 1.17 C ATOM 520 CD LYS A 34 16.323 -7.341 -2.639 1.00 1.92 C ATOM 521 CE LYS A 34 17.358 -8.413 -2.335 1.00 2.73 C ATOM 522 NZ LYS A 34 16.872 -9.397 -1.331 1.00 3.25 N ATOM 0 H LYS A 34 12.001 -7.743 -1.921 1.00 0.42 H new ATOM 0 HA LYS A 34 14.202 -5.814 -1.600 1.00 0.52 H new ATOM 0 HB2 LYS A 34 13.182 -7.363 -4.010 1.00 0.85 H new ATOM 0 HB3 LYS A 34 14.454 -6.160 -4.078 1.00 0.85 H new ATOM 0 HG2 LYS A 34 14.608 -8.575 -2.262 1.00 1.17 H new ATOM 0 HG3 LYS A 34 15.165 -8.613 -3.923 1.00 1.17 H new ATOM 0 HD2 LYS A 34 16.695 -6.686 -3.427 1.00 1.92 H new ATOM 0 HD3 LYS A 34 16.168 -6.721 -1.756 1.00 1.92 H new ATOM 0 HE2 LYS A 34 17.619 -8.935 -3.256 1.00 2.73 H new ATOM 0 HE3 LYS A 34 18.269 -7.941 -1.967 1.00 2.73 H new ATOM 0 HZ1 LYS A 34 17.671 -9.970 -0.992 1.00 3.25 H new ATOM 0 HZ2 LYS A 34 16.443 -8.892 -0.529 1.00 3.25 H new ATOM 0 HZ3 LYS A 34 16.162 -10.018 -1.769 1.00 3.25 H new ATOM 536 N SER A 35 13.115 -3.895 -2.617 1.00 0.46 N ATOM 537 CA SER A 35 12.417 -2.670 -2.965 1.00 0.48 C ATOM 538 C SER A 35 12.136 -2.621 -4.464 1.00 0.58 C ATOM 539 O SER A 35 13.023 -2.883 -5.284 1.00 0.74 O ATOM 540 CB SER A 35 13.234 -1.456 -2.515 1.00 0.69 C ATOM 541 OG SER A 35 14.556 -1.499 -3.034 1.00 1.55 O ATOM 0 H SER A 35 14.089 -3.759 -2.346 1.00 0.46 H new ATOM 0 HA SER A 35 11.458 -2.649 -2.447 1.00 0.48 H new ATOM 0 HB2 SER A 35 12.741 -0.541 -2.845 1.00 0.69 H new ATOM 0 HB3 SER A 35 13.270 -1.423 -1.426 1.00 0.69 H new ATOM 0 HG SER A 35 15.052 -0.710 -2.731 1.00 1.55 H new ATOM 547 N MET A 36 10.902 -2.303 -4.819 1.00 0.58 N ATOM 548 CA MET A 36 10.492 -2.265 -6.214 1.00 0.76 C ATOM 549 C MET A 36 9.333 -1.300 -6.411 1.00 0.87 C ATOM 550 O MET A 36 8.796 -0.755 -5.447 1.00 0.94 O ATOM 551 CB MET A 36 10.081 -3.661 -6.699 1.00 0.81 C ATOM 552 CG MET A 36 8.994 -4.311 -5.855 1.00 1.07 C ATOM 553 SD MET A 36 8.270 -5.760 -6.649 1.00 1.38 S ATOM 554 CE MET A 36 7.405 -4.982 -8.010 1.00 1.15 C ATOM 0 H MET A 36 10.163 -2.066 -4.157 1.00 0.58 H new ATOM 0 HA MET A 36 11.345 -1.921 -6.799 1.00 0.76 H new ATOM 0 HB2 MET A 36 9.733 -3.589 -7.730 1.00 0.81 H new ATOM 0 HB3 MET A 36 10.959 -4.307 -6.703 1.00 0.81 H new ATOM 0 HG2 MET A 36 9.413 -4.601 -4.891 1.00 1.07 H new ATOM 0 HG3 MET A 36 8.209 -3.581 -5.655 1.00 1.07 H new ATOM 0 HE1 MET A 36 6.546 -5.591 -8.291 1.00 1.15 H new ATOM 0 HE2 MET A 36 7.064 -3.992 -7.706 1.00 1.15 H new ATOM 0 HE3 MET A 36 8.078 -4.888 -8.863 1.00 1.15 H new ATOM 564 N ASN A 37 8.953 -1.106 -7.664 1.00 1.03 N ATOM 565 CA ASN A 37 7.820 -0.264 -8.010 1.00 1.17 C ATOM 566 C ASN A 37 6.818 -1.068 -8.826 1.00 0.99 C ATOM 567 O ASN A 37 7.200 -1.895 -9.659 1.00 1.03 O ATOM 568 CB ASN A 37 8.280 0.977 -8.789 1.00 1.55 C ATOM 569 CG ASN A 37 9.035 0.637 -10.062 1.00 2.18 C ATOM 570 OD1 ASN A 37 8.446 0.508 -11.138 1.00 2.78 O ATOM 571 ND2 ASN A 37 10.346 0.491 -9.947 1.00 2.51 N ATOM 0 H ASN A 37 9.420 -1.527 -8.467 1.00 1.03 H new ATOM 0 HA ASN A 37 7.341 0.077 -7.092 1.00 1.17 H new ATOM 0 HB2 ASN A 37 7.410 1.583 -9.041 1.00 1.55 H new ATOM 0 HB3 ASN A 37 8.917 1.585 -8.147 1.00 1.55 H new ATOM 0 HD21 ASN A 37 10.908 0.263 -10.767 1.00 2.51 H new ATOM 0 HD22 ASN A 37 10.794 0.606 -9.038 1.00 2.51 H new ATOM 578 N MET A 38 5.542 -0.845 -8.566 1.00 1.01 N ATOM 579 CA MET A 38 4.483 -1.576 -9.235 1.00 0.99 C ATOM 580 C MET A 38 3.882 -0.741 -10.353 1.00 0.86 C ATOM 581 O MET A 38 3.878 0.489 -10.287 1.00 0.81 O ATOM 582 CB MET A 38 3.400 -1.974 -8.231 1.00 1.23 C ATOM 583 CG MET A 38 2.715 -0.799 -7.559 1.00 0.95 C ATOM 584 SD MET A 38 1.686 -1.312 -6.173 1.00 1.15 S ATOM 585 CE MET A 38 1.183 0.278 -5.524 1.00 1.32 C ATOM 0 H MET A 38 5.213 -0.156 -7.889 1.00 1.01 H new ATOM 0 HA MET A 38 4.909 -2.480 -9.670 1.00 0.99 H new ATOM 0 HB2 MET A 38 2.648 -2.574 -8.743 1.00 1.23 H new ATOM 0 HB3 MET A 38 3.846 -2.608 -7.464 1.00 1.23 H new ATOM 0 HG2 MET A 38 3.468 -0.094 -7.208 1.00 0.95 H new ATOM 0 HG3 MET A 38 2.101 -0.272 -8.290 1.00 0.95 H new ATOM 0 HE1 MET A 38 1.329 0.293 -4.444 1.00 1.32 H new ATOM 0 HE2 MET A 38 1.783 1.064 -5.982 1.00 1.32 H new ATOM 0 HE3 MET A 38 0.130 0.447 -5.750 1.00 1.32 H new ATOM 595 N PRO A 39 3.382 -1.403 -11.397 1.00 0.92 N ATOM 596 CA PRO A 39 2.749 -0.732 -12.532 1.00 0.91 C ATOM 597 C PRO A 39 1.419 -0.091 -12.154 1.00 0.76 C ATOM 598 O PRO A 39 0.647 -0.644 -11.365 1.00 0.83 O ATOM 599 CB PRO A 39 2.525 -1.864 -13.536 1.00 1.16 C ATOM 600 CG PRO A 39 2.459 -3.097 -12.701 1.00 1.24 C ATOM 601 CD PRO A 39 3.403 -2.864 -11.559 1.00 1.13 C ATOM 0 HA PRO A 39 3.363 0.083 -12.917 1.00 0.91 H new ATOM 0 HB2 PRO A 39 1.604 -1.717 -14.100 1.00 1.16 H new ATOM 0 HB3 PRO A 39 3.338 -1.918 -14.260 1.00 1.16 H new ATOM 0 HG2 PRO A 39 1.445 -3.273 -12.341 1.00 1.24 H new ATOM 0 HG3 PRO A 39 2.750 -3.976 -13.277 1.00 1.24 H new ATOM 0 HD2 PRO A 39 3.073 -3.374 -10.654 1.00 1.13 H new ATOM 0 HD3 PRO A 39 4.405 -3.230 -11.784 1.00 1.13 H new ATOM 609 N GLU A 40 1.160 1.073 -12.719 1.00 0.77 N ATOM 610 CA GLU A 40 -0.086 1.775 -12.480 1.00 0.69 C ATOM 611 C GLU A 40 -1.231 1.048 -13.176 1.00 0.73 C ATOM 612 O GLU A 40 -1.084 0.605 -14.313 1.00 1.09 O ATOM 613 CB GLU A 40 0.016 3.204 -13.007 1.00 0.76 C ATOM 614 CG GLU A 40 -1.205 4.046 -12.697 1.00 0.72 C ATOM 615 CD GLU A 40 -1.221 5.351 -13.452 1.00 0.94 C ATOM 616 OE1 GLU A 40 -1.735 5.370 -14.585 1.00 1.15 O ATOM 617 OE2 GLU A 40 -0.743 6.367 -12.909 1.00 1.09 O ATOM 0 H GLU A 40 1.800 1.554 -13.350 1.00 0.77 H new ATOM 0 HA GLU A 40 -0.280 1.803 -11.408 1.00 0.69 H new ATOM 0 HB2 GLU A 40 0.896 3.681 -12.576 1.00 0.76 H new ATOM 0 HB3 GLU A 40 0.165 3.176 -14.086 1.00 0.76 H new ATOM 0 HG2 GLU A 40 -2.103 3.479 -12.941 1.00 0.72 H new ATOM 0 HG3 GLU A 40 -1.238 4.250 -11.627 1.00 0.72 H new ATOM 624 N GLY A 41 -2.357 0.906 -12.490 1.00 0.64 N ATOM 625 CA GLY A 41 -3.520 0.294 -13.107 1.00 0.66 C ATOM 626 C GLY A 41 -3.868 -1.061 -12.526 1.00 0.62 C ATOM 627 O GLY A 41 -4.976 -1.555 -12.724 1.00 0.68 O ATOM 0 H GLY A 41 -2.487 1.201 -11.522 1.00 0.64 H new ATOM 0 HA2 GLY A 41 -4.375 0.960 -12.993 1.00 0.66 H new ATOM 0 HA3 GLY A 41 -3.340 0.187 -14.177 1.00 0.66 H new ATOM 631 N LYS A 42 -2.938 -1.664 -11.801 1.00 0.59 N ATOM 632 CA LYS A 42 -3.178 -2.978 -11.218 1.00 0.59 C ATOM 633 C LYS A 42 -3.613 -2.879 -9.770 1.00 0.52 C ATOM 634 O LYS A 42 -2.997 -2.170 -8.976 1.00 0.54 O ATOM 635 CB LYS A 42 -1.927 -3.844 -11.299 1.00 0.67 C ATOM 636 CG LYS A 42 -1.602 -4.314 -12.706 1.00 0.85 C ATOM 637 CD LYS A 42 -2.797 -5.013 -13.333 1.00 1.45 C ATOM 638 CE LYS A 42 -2.476 -5.562 -14.712 1.00 1.85 C ATOM 639 NZ LYS A 42 -1.532 -6.710 -14.652 1.00 2.30 N ATOM 0 H LYS A 42 -2.018 -1.270 -11.603 1.00 0.59 H new ATOM 0 HA LYS A 42 -3.981 -3.436 -11.796 1.00 0.59 H new ATOM 0 HB2 LYS A 42 -1.080 -3.281 -10.908 1.00 0.67 H new ATOM 0 HB3 LYS A 42 -2.055 -4.714 -10.655 1.00 0.67 H new ATOM 0 HG2 LYS A 42 -1.310 -3.462 -13.320 1.00 0.85 H new ATOM 0 HG3 LYS A 42 -0.751 -4.994 -12.679 1.00 0.85 H new ATOM 0 HD2 LYS A 42 -3.122 -5.827 -12.685 1.00 1.45 H new ATOM 0 HD3 LYS A 42 -3.629 -4.313 -13.406 1.00 1.45 H new ATOM 0 HE2 LYS A 42 -3.398 -5.877 -15.200 1.00 1.85 H new ATOM 0 HE3 LYS A 42 -2.045 -4.771 -15.325 1.00 1.85 H new ATOM 0 HZ1 LYS A 42 -1.446 -7.138 -15.596 1.00 2.30 H new ATOM 0 HZ2 LYS A 42 -0.599 -6.376 -14.337 1.00 2.30 H new ATOM 0 HZ3 LYS A 42 -1.890 -7.419 -13.981 1.00 2.30 H new ATOM 653 N VAL A 43 -4.673 -3.598 -9.435 1.00 0.48 N ATOM 654 CA VAL A 43 -5.123 -3.677 -8.060 1.00 0.45 C ATOM 655 C VAL A 43 -4.632 -4.974 -7.419 1.00 0.39 C ATOM 656 O VAL A 43 -4.704 -6.052 -8.017 1.00 0.46 O ATOM 657 CB VAL A 43 -6.664 -3.545 -7.943 1.00 0.54 C ATOM 658 CG1 VAL A 43 -7.385 -4.724 -8.574 1.00 0.69 C ATOM 659 CG2 VAL A 43 -7.081 -3.375 -6.493 1.00 0.93 C ATOM 0 H VAL A 43 -5.235 -4.133 -10.097 1.00 0.48 H new ATOM 0 HA VAL A 43 -4.693 -2.833 -7.520 1.00 0.45 H new ATOM 0 HB VAL A 43 -6.955 -2.652 -8.496 1.00 0.54 H new ATOM 0 HG11 VAL A 43 -8.462 -4.590 -8.469 1.00 0.69 H new ATOM 0 HG12 VAL A 43 -7.128 -4.784 -9.632 1.00 0.69 H new ATOM 0 HG13 VAL A 43 -7.083 -5.645 -8.074 1.00 0.69 H new ATOM 0 HG21 VAL A 43 -8.166 -3.284 -6.435 1.00 0.93 H new ATOM 0 HG22 VAL A 43 -6.758 -4.242 -5.917 1.00 0.93 H new ATOM 0 HG23 VAL A 43 -6.619 -2.476 -6.085 1.00 0.93 H new ATOM 669 N MET A 44 -4.104 -4.856 -6.216 1.00 0.35 N ATOM 670 CA MET A 44 -3.569 -5.995 -5.489 1.00 0.36 C ATOM 671 C MET A 44 -4.409 -6.262 -4.255 1.00 0.34 C ATOM 672 O MET A 44 -5.014 -5.345 -3.699 1.00 0.39 O ATOM 673 CB MET A 44 -2.113 -5.752 -5.070 1.00 0.46 C ATOM 674 CG MET A 44 -1.092 -5.919 -6.187 1.00 0.76 C ATOM 675 SD MET A 44 -1.246 -4.690 -7.500 1.00 1.31 S ATOM 676 CE MET A 44 -1.076 -3.170 -6.566 1.00 1.20 C ATOM 0 H MET A 44 -4.033 -3.971 -5.714 1.00 0.35 H new ATOM 0 HA MET A 44 -3.599 -6.860 -6.151 1.00 0.36 H new ATOM 0 HB2 MET A 44 -2.029 -4.742 -4.668 1.00 0.46 H new ATOM 0 HB3 MET A 44 -1.862 -6.439 -4.262 1.00 0.46 H new ATOM 0 HG2 MET A 44 -0.090 -5.861 -5.763 1.00 0.76 H new ATOM 0 HG3 MET A 44 -1.198 -6.914 -6.619 1.00 0.76 H new ATOM 0 HE1 MET A 44 -0.795 -2.359 -7.238 1.00 1.20 H new ATOM 0 HE2 MET A 44 -2.024 -2.931 -6.085 1.00 1.20 H new ATOM 0 HE3 MET A 44 -0.305 -3.294 -5.806 1.00 1.20 H new ATOM 686 N GLU A 45 -4.448 -7.510 -3.835 1.00 0.31 N ATOM 687 CA GLU A 45 -5.173 -7.890 -2.650 1.00 0.34 C ATOM 688 C GLU A 45 -4.226 -7.910 -1.452 1.00 0.30 C ATOM 689 O GLU A 45 -3.046 -8.222 -1.586 1.00 0.35 O ATOM 690 CB GLU A 45 -5.831 -9.251 -2.876 1.00 0.47 C ATOM 691 CG GLU A 45 -6.570 -9.784 -1.670 1.00 0.99 C ATOM 692 CD GLU A 45 -7.503 -10.920 -2.024 1.00 1.17 C ATOM 693 OE1 GLU A 45 -7.045 -12.076 -2.103 1.00 1.43 O ATOM 694 OE2 GLU A 45 -8.704 -10.655 -2.241 1.00 1.64 O ATOM 0 H GLU A 45 -3.979 -8.283 -4.306 1.00 0.31 H new ATOM 0 HA GLU A 45 -5.959 -7.165 -2.439 1.00 0.34 H new ATOM 0 HB2 GLU A 45 -6.528 -9.172 -3.711 1.00 0.47 H new ATOM 0 HB3 GLU A 45 -5.065 -9.970 -3.167 1.00 0.47 H new ATOM 0 HG2 GLU A 45 -5.849 -10.127 -0.927 1.00 0.99 H new ATOM 0 HG3 GLU A 45 -7.141 -8.977 -1.211 1.00 0.99 H new ATOM 701 N THR A 46 -4.750 -7.546 -0.301 1.00 0.29 N ATOM 702 CA THR A 46 -3.949 -7.438 0.908 1.00 0.31 C ATOM 703 C THR A 46 -4.401 -8.447 1.956 1.00 0.39 C ATOM 704 O THR A 46 -5.523 -8.950 1.894 1.00 0.49 O ATOM 705 CB THR A 46 -4.034 -6.020 1.497 1.00 0.42 C ATOM 706 OG1 THR A 46 -5.402 -5.664 1.731 1.00 0.53 O ATOM 707 CG2 THR A 46 -3.403 -5.003 0.563 1.00 0.50 C ATOM 0 H THR A 46 -5.736 -7.317 -0.173 1.00 0.29 H new ATOM 0 HA THR A 46 -2.916 -7.650 0.634 1.00 0.31 H new ATOM 0 HB THR A 46 -3.487 -6.016 2.440 1.00 0.42 H new ATOM 0 HG1 THR A 46 -5.908 -5.745 0.896 1.00 0.53 H new ATOM 0 HG21 THR A 46 -3.477 -4.009 1.004 1.00 0.50 H new ATOM 0 HG22 THR A 46 -2.354 -5.254 0.407 1.00 0.50 H new ATOM 0 HG23 THR A 46 -3.925 -5.015 -0.394 1.00 0.50 H new ATOM 715 N ARG A 47 -3.516 -8.735 2.915 1.00 0.39 N ATOM 716 CA ARG A 47 -3.799 -9.640 4.037 1.00 0.51 C ATOM 717 C ARG A 47 -5.114 -9.323 4.737 1.00 0.72 C ATOM 718 O ARG A 47 -5.743 -10.197 5.328 1.00 0.92 O ATOM 719 CB ARG A 47 -2.689 -9.528 5.079 1.00 0.54 C ATOM 720 CG ARG A 47 -1.467 -10.379 4.799 1.00 0.95 C ATOM 721 CD ARG A 47 -1.808 -11.858 4.798 1.00 1.27 C ATOM 722 NE ARG A 47 -2.488 -12.280 6.025 1.00 2.09 N ATOM 723 CZ ARG A 47 -3.278 -13.355 6.106 1.00 2.77 C ATOM 724 NH1 ARG A 47 -3.472 -14.122 5.041 1.00 2.94 N ATOM 725 NH2 ARG A 47 -3.855 -13.666 7.258 1.00 3.73 N ATOM 0 H ARG A 47 -2.574 -8.344 2.936 1.00 0.39 H new ATOM 0 HA ARG A 47 -3.862 -10.643 3.614 1.00 0.51 H new ATOM 0 HB2 ARG A 47 -2.380 -8.485 5.149 1.00 0.54 H new ATOM 0 HB3 ARG A 47 -3.094 -9.807 6.052 1.00 0.54 H new ATOM 0 HG2 ARG A 47 -1.042 -10.102 3.834 1.00 0.95 H new ATOM 0 HG3 ARG A 47 -0.704 -10.181 5.552 1.00 0.95 H new ATOM 0 HD2 ARG A 47 -2.443 -12.080 3.940 1.00 1.27 H new ATOM 0 HD3 ARG A 47 -0.893 -12.438 4.676 1.00 1.27 H new ATOM 0 HE ARG A 47 -2.351 -11.721 6.867 1.00 2.09 H new ATOM 0 HH11 ARG A 47 -3.018 -13.892 4.157 1.00 2.94 H new ATOM 0 HH12 ARG A 47 -4.075 -14.942 5.106 1.00 2.94 H new ATOM 0 HH21 ARG A 47 -3.696 -13.085 8.081 1.00 3.73 H new ATOM 0 HH22 ARG A 47 -4.458 -14.486 7.321 1.00 3.73 H new ATOM 739 N ASP A 48 -5.500 -8.065 4.679 1.00 0.78 N ATOM 740 CA ASP A 48 -6.645 -7.572 5.425 1.00 1.06 C ATOM 741 C ASP A 48 -7.956 -7.880 4.701 1.00 1.04 C ATOM 742 O ASP A 48 -9.041 -7.681 5.245 1.00 1.45 O ATOM 743 CB ASP A 48 -6.462 -6.070 5.648 1.00 1.30 C ATOM 744 CG ASP A 48 -7.646 -5.400 6.322 1.00 1.83 C ATOM 745 OD1 ASP A 48 -7.872 -5.641 7.525 1.00 2.70 O ATOM 746 OD2 ASP A 48 -8.351 -4.620 5.647 1.00 1.79 O ATOM 0 H ASP A 48 -5.032 -7.355 4.116 1.00 0.78 H new ATOM 0 HA ASP A 48 -6.703 -8.078 6.389 1.00 1.06 H new ATOM 0 HB2 ASP A 48 -5.571 -5.909 6.255 1.00 1.30 H new ATOM 0 HB3 ASP A 48 -6.284 -5.589 4.686 1.00 1.30 H new ATOM 751 N GLY A 49 -7.855 -8.397 3.484 1.00 0.68 N ATOM 752 CA GLY A 49 -9.045 -8.701 2.716 1.00 0.72 C ATOM 753 C GLY A 49 -9.482 -7.518 1.886 1.00 0.70 C ATOM 754 O GLY A 49 -10.603 -7.475 1.380 1.00 0.77 O ATOM 0 H GLY A 49 -6.974 -8.610 3.017 1.00 0.68 H new ATOM 0 HA2 GLY A 49 -8.851 -9.553 2.064 1.00 0.72 H new ATOM 0 HA3 GLY A 49 -9.851 -8.992 3.390 1.00 0.72 H new ATOM 758 N THR A 50 -8.579 -6.565 1.746 1.00 0.65 N ATOM 759 CA THR A 50 -8.848 -5.333 1.030 1.00 0.69 C ATOM 760 C THR A 50 -8.018 -5.268 -0.244 1.00 0.55 C ATOM 761 O THR A 50 -7.155 -6.122 -0.477 1.00 0.52 O ATOM 762 CB THR A 50 -8.498 -4.128 1.910 1.00 0.83 C ATOM 763 OG1 THR A 50 -7.779 -4.586 3.063 1.00 1.25 O ATOM 764 CG2 THR A 50 -9.735 -3.367 2.345 1.00 1.35 C ATOM 0 H THR A 50 -7.635 -6.625 2.127 1.00 0.65 H new ATOM 0 HA THR A 50 -9.908 -5.310 0.775 1.00 0.69 H new ATOM 0 HB THR A 50 -7.883 -3.444 1.325 1.00 0.83 H new ATOM 0 HG1 THR A 50 -8.368 -4.565 3.846 1.00 1.25 H new ATOM 0 HG21 THR A 50 -9.442 -2.521 2.967 1.00 1.35 H new ATOM 0 HG22 THR A 50 -10.267 -3.004 1.466 1.00 1.35 H new ATOM 0 HG23 THR A 50 -10.387 -4.028 2.916 1.00 1.35 H new ATOM 772 N LYS A 51 -8.254 -4.246 -1.048 1.00 0.53 N ATOM 773 CA LYS A 51 -7.539 -4.067 -2.297 1.00 0.52 C ATOM 774 C LYS A 51 -6.772 -2.748 -2.279 1.00 0.51 C ATOM 775 O LYS A 51 -7.189 -1.783 -1.631 1.00 0.56 O ATOM 776 CB LYS A 51 -8.522 -4.061 -3.470 1.00 0.59 C ATOM 777 CG LYS A 51 -9.510 -5.218 -3.472 1.00 0.67 C ATOM 778 CD LYS A 51 -8.844 -6.549 -3.780 1.00 1.19 C ATOM 779 CE LYS A 51 -9.880 -7.656 -3.888 1.00 1.26 C ATOM 780 NZ LYS A 51 -9.299 -8.947 -4.343 1.00 1.84 N ATOM 0 H LYS A 51 -8.944 -3.520 -0.854 1.00 0.53 H new ATOM 0 HA LYS A 51 -6.838 -4.893 -2.415 1.00 0.52 H new ATOM 0 HB2 LYS A 51 -9.079 -3.124 -3.456 1.00 0.59 H new ATOM 0 HB3 LYS A 51 -7.956 -4.081 -4.402 1.00 0.59 H new ATOM 0 HG2 LYS A 51 -9.999 -5.276 -2.500 1.00 0.67 H new ATOM 0 HG3 LYS A 51 -10.289 -5.025 -4.210 1.00 0.67 H new ATOM 0 HD2 LYS A 51 -8.286 -6.475 -4.713 1.00 1.19 H new ATOM 0 HD3 LYS A 51 -8.126 -6.792 -2.997 1.00 1.19 H new ATOM 0 HE2 LYS A 51 -10.355 -7.799 -2.917 1.00 1.26 H new ATOM 0 HE3 LYS A 51 -10.661 -7.349 -4.583 1.00 1.26 H new ATOM 0 HZ1 LYS A 51 -10.035 -9.513 -4.812 1.00 1.84 H new ATOM 0 HZ2 LYS A 51 -8.525 -8.762 -5.012 1.00 1.84 H new ATOM 0 HZ3 LYS A 51 -8.931 -9.470 -3.523 1.00 1.84 H new ATOM 794 N ILE A 52 -5.635 -2.724 -2.961 1.00 0.47 N ATOM 795 CA ILE A 52 -4.854 -1.504 -3.129 1.00 0.46 C ATOM 796 C ILE A 52 -4.364 -1.375 -4.569 1.00 0.46 C ATOM 797 O ILE A 52 -4.177 -2.374 -5.259 1.00 0.52 O ATOM 798 CB ILE A 52 -3.628 -1.466 -2.183 1.00 0.48 C ATOM 799 CG1 ILE A 52 -2.766 -2.716 -2.382 1.00 0.49 C ATOM 800 CG2 ILE A 52 -4.071 -1.340 -0.728 1.00 0.66 C ATOM 801 CD1 ILE A 52 -1.488 -2.718 -1.572 1.00 0.51 C ATOM 0 H ILE A 52 -5.229 -3.544 -3.411 1.00 0.47 H new ATOM 0 HA ILE A 52 -5.513 -0.672 -2.881 1.00 0.46 H new ATOM 0 HB ILE A 52 -3.028 -0.590 -2.429 1.00 0.48 H new ATOM 0 HG12 ILE A 52 -3.353 -3.595 -2.117 1.00 0.49 H new ATOM 0 HG13 ILE A 52 -2.514 -2.807 -3.439 1.00 0.49 H new ATOM 0 HG21 ILE A 52 -3.194 -1.315 -0.081 1.00 0.66 H new ATOM 0 HG22 ILE A 52 -4.642 -0.421 -0.600 1.00 0.66 H new ATOM 0 HG23 ILE A 52 -4.694 -2.194 -0.462 1.00 0.66 H new ATOM 0 HD11 ILE A 52 -0.934 -3.636 -1.768 1.00 0.51 H new ATOM 0 HD12 ILE A 52 -0.878 -1.859 -1.852 1.00 0.51 H new ATOM 0 HD13 ILE A 52 -1.730 -2.660 -0.511 1.00 0.51 H new ATOM 813 N ILE A 53 -4.159 -0.146 -5.010 1.00 0.42 N ATOM 814 CA ILE A 53 -3.622 0.122 -6.348 1.00 0.41 C ATOM 815 C ILE A 53 -3.020 1.521 -6.402 1.00 0.42 C ATOM 816 O ILE A 53 -3.414 2.400 -5.640 1.00 0.44 O ATOM 817 CB ILE A 53 -4.677 -0.052 -7.499 1.00 0.40 C ATOM 818 CG1 ILE A 53 -4.215 0.640 -8.795 1.00 0.43 C ATOM 819 CG2 ILE A 53 -6.041 0.466 -7.090 1.00 0.42 C ATOM 820 CD1 ILE A 53 -5.268 0.722 -9.877 1.00 0.98 C ATOM 0 H ILE A 53 -4.355 0.692 -4.463 1.00 0.42 H new ATOM 0 HA ILE A 53 -2.850 -0.628 -6.521 1.00 0.41 H new ATOM 0 HB ILE A 53 -4.762 -1.122 -7.690 1.00 0.40 H new ATOM 0 HG12 ILE A 53 -3.883 1.649 -8.553 1.00 0.43 H new ATOM 0 HG13 ILE A 53 -3.350 0.105 -9.188 1.00 0.43 H new ATOM 0 HG21 ILE A 53 -6.744 0.329 -7.912 1.00 0.42 H new ATOM 0 HG22 ILE A 53 -6.392 -0.084 -6.217 1.00 0.42 H new ATOM 0 HG23 ILE A 53 -5.970 1.526 -6.847 1.00 0.42 H new ATOM 0 HD11 ILE A 53 -4.853 1.224 -10.751 1.00 0.98 H new ATOM 0 HD12 ILE A 53 -5.585 -0.284 -10.153 1.00 0.98 H new ATOM 0 HD13 ILE A 53 -6.126 1.285 -9.508 1.00 0.98 H new ATOM 832 N MET A 54 -2.066 1.723 -7.295 1.00 0.44 N ATOM 833 CA MET A 54 -1.490 3.035 -7.504 1.00 0.47 C ATOM 834 C MET A 54 -1.964 3.569 -8.844 1.00 0.48 C ATOM 835 O MET A 54 -1.579 3.053 -9.889 1.00 0.54 O ATOM 836 CB MET A 54 0.036 2.981 -7.480 1.00 0.52 C ATOM 837 CG MET A 54 0.690 4.348 -7.615 1.00 0.60 C ATOM 838 SD MET A 54 2.488 4.262 -7.703 1.00 1.08 S ATOM 839 CE MET A 54 2.704 3.365 -9.239 1.00 1.50 C ATOM 0 H MET A 54 -1.675 0.991 -7.887 1.00 0.44 H new ATOM 0 HA MET A 54 -1.813 3.693 -6.697 1.00 0.47 H new ATOM 0 HB2 MET A 54 0.361 2.521 -6.547 1.00 0.52 H new ATOM 0 HB3 MET A 54 0.382 2.339 -8.290 1.00 0.52 H new ATOM 0 HG2 MET A 54 0.311 4.839 -8.511 1.00 0.60 H new ATOM 0 HG3 MET A 54 0.402 4.968 -6.766 1.00 0.60 H new ATOM 0 HE1 MET A 54 3.706 3.545 -9.628 1.00 1.50 H new ATOM 0 HE2 MET A 54 2.571 2.298 -9.059 1.00 1.50 H new ATOM 0 HE3 MET A 54 1.966 3.705 -9.966 1.00 1.50 H new ATOM 849 N LYS A 55 -2.827 4.566 -8.813 1.00 0.52 N ATOM 850 CA LYS A 55 -3.325 5.181 -10.031 1.00 0.58 C ATOM 851 C LYS A 55 -3.121 6.685 -9.953 1.00 0.66 C ATOM 852 O LYS A 55 -3.440 7.303 -8.943 1.00 0.70 O ATOM 853 CB LYS A 55 -4.806 4.849 -10.246 1.00 0.72 C ATOM 854 CG LYS A 55 -5.352 5.317 -11.591 1.00 0.95 C ATOM 855 CD LYS A 55 -4.639 4.635 -12.751 1.00 0.94 C ATOM 856 CE LYS A 55 -5.056 5.217 -14.095 1.00 1.11 C ATOM 857 NZ LYS A 55 -4.264 4.644 -15.219 1.00 1.69 N ATOM 0 H LYS A 55 -3.200 4.970 -7.954 1.00 0.52 H new ATOM 0 HA LYS A 55 -2.770 4.784 -10.881 1.00 0.58 H new ATOM 0 HB2 LYS A 55 -4.943 3.771 -10.164 1.00 0.72 H new ATOM 0 HB3 LYS A 55 -5.391 5.306 -9.448 1.00 0.72 H new ATOM 0 HG2 LYS A 55 -6.420 5.106 -11.645 1.00 0.95 H new ATOM 0 HG3 LYS A 55 -5.236 6.397 -11.676 1.00 0.95 H new ATOM 0 HD2 LYS A 55 -3.561 4.742 -12.628 1.00 0.94 H new ATOM 0 HD3 LYS A 55 -4.858 3.567 -12.734 1.00 0.94 H new ATOM 0 HE2 LYS A 55 -6.116 5.023 -14.262 1.00 1.11 H new ATOM 0 HE3 LYS A 55 -4.929 6.299 -14.077 1.00 1.11 H new ATOM 0 HZ1 LYS A 55 -4.783 4.773 -16.111 1.00 1.69 H new ATOM 0 HZ2 LYS A 55 -3.346 5.129 -15.279 1.00 1.69 H new ATOM 0 HZ3 LYS A 55 -4.109 3.629 -15.053 1.00 1.69 H new ATOM 871 N GLY A 56 -2.556 7.259 -11.005 1.00 0.77 N ATOM 872 CA GLY A 56 -2.275 8.683 -11.014 1.00 0.93 C ATOM 873 C GLY A 56 -1.167 9.045 -10.048 1.00 0.94 C ATOM 874 O GLY A 56 -1.114 10.168 -9.543 1.00 1.21 O ATOM 0 H GLY A 56 -2.286 6.764 -11.855 1.00 0.77 H new ATOM 0 HA2 GLY A 56 -1.994 8.991 -12.021 1.00 0.93 H new ATOM 0 HA3 GLY A 56 -3.179 9.233 -10.753 1.00 0.93 H new ATOM 878 N ASN A 57 -0.272 8.084 -9.809 1.00 0.99 N ATOM 879 CA ASN A 57 0.812 8.227 -8.832 1.00 1.05 C ATOM 880 C ASN A 57 0.233 8.443 -7.431 1.00 0.97 C ATOM 881 O ASN A 57 0.869 9.027 -6.557 1.00 1.15 O ATOM 882 CB ASN A 57 1.751 9.378 -9.230 1.00 1.30 C ATOM 883 CG ASN A 57 3.185 9.179 -8.760 1.00 1.96 C ATOM 884 OD1 ASN A 57 4.127 9.582 -9.442 1.00 2.10 O ATOM 885 ND2 ASN A 57 3.369 8.591 -7.592 1.00 2.90 N ATOM 0 H ASN A 57 -0.278 7.183 -10.288 1.00 0.99 H new ATOM 0 HA ASN A 57 1.399 7.309 -8.820 1.00 1.05 H new ATOM 0 HB2 ASN A 57 1.744 9.484 -10.315 1.00 1.30 H new ATOM 0 HB3 ASN A 57 1.367 10.310 -8.816 1.00 1.30 H new ATOM 0 HD21 ASN A 57 4.314 8.459 -7.230 1.00 2.90 H new ATOM 0 HD22 ASN A 57 2.566 8.268 -7.051 1.00 2.90 H new ATOM 892 N GLU A 58 -0.967 7.929 -7.225 1.00 0.86 N ATOM 893 CA GLU A 58 -1.644 8.023 -5.940 1.00 0.84 C ATOM 894 C GLU A 58 -2.002 6.632 -5.458 1.00 0.69 C ATOM 895 O GLU A 58 -2.268 5.740 -6.266 1.00 0.75 O ATOM 896 CB GLU A 58 -2.912 8.874 -6.045 1.00 0.88 C ATOM 897 CG GLU A 58 -2.655 10.310 -6.472 1.00 1.05 C ATOM 898 CD GLU A 58 -3.923 11.137 -6.537 1.00 1.30 C ATOM 899 OE1 GLU A 58 -4.621 11.087 -7.576 1.00 1.63 O ATOM 900 OE2 GLU A 58 -4.239 11.826 -5.545 1.00 1.66 O ATOM 0 H GLU A 58 -1.500 7.435 -7.941 1.00 0.86 H new ATOM 0 HA GLU A 58 -0.971 8.502 -5.229 1.00 0.84 H new ATOM 0 HB2 GLU A 58 -3.592 8.409 -6.759 1.00 0.88 H new ATOM 0 HB3 GLU A 58 -3.417 8.877 -5.079 1.00 0.88 H new ATOM 0 HG2 GLU A 58 -1.959 10.774 -5.773 1.00 1.05 H new ATOM 0 HG3 GLU A 58 -2.174 10.313 -7.450 1.00 1.05 H new ATOM 907 N ILE A 59 -1.993 6.439 -4.154 1.00 0.64 N ATOM 908 CA ILE A 59 -2.315 5.147 -3.598 1.00 0.56 C ATOM 909 C ILE A 59 -3.794 5.056 -3.238 1.00 0.55 C ATOM 910 O ILE A 59 -4.329 5.849 -2.459 1.00 0.63 O ATOM 911 CB ILE A 59 -1.402 4.799 -2.388 1.00 0.62 C ATOM 912 CG1 ILE A 59 -0.386 3.728 -2.796 1.00 0.79 C ATOM 913 CG2 ILE A 59 -2.195 4.338 -1.170 1.00 0.58 C ATOM 914 CD1 ILE A 59 -1.017 2.421 -3.233 1.00 0.92 C ATOM 0 H ILE A 59 -1.767 7.158 -3.466 1.00 0.64 H new ATOM 0 HA ILE A 59 -2.120 4.399 -4.366 1.00 0.56 H new ATOM 0 HB ILE A 59 -0.881 5.712 -2.100 1.00 0.62 H new ATOM 0 HG12 ILE A 59 0.228 4.114 -3.610 1.00 0.79 H new ATOM 0 HG13 ILE A 59 0.282 3.535 -1.956 1.00 0.79 H new ATOM 0 HG21 ILE A 59 -1.509 4.108 -0.355 1.00 0.58 H new ATOM 0 HG22 ILE A 59 -2.876 5.130 -0.858 1.00 0.58 H new ATOM 0 HG23 ILE A 59 -2.767 3.446 -1.425 1.00 0.58 H new ATOM 0 HD11 ILE A 59 -0.235 1.713 -3.506 1.00 0.92 H new ATOM 0 HD12 ILE A 59 -1.608 2.011 -2.414 1.00 0.92 H new ATOM 0 HD13 ILE A 59 -1.663 2.598 -4.093 1.00 0.92 H new ATOM 926 N PHE A 60 -4.455 4.119 -3.886 1.00 0.48 N ATOM 927 CA PHE A 60 -5.788 3.705 -3.520 1.00 0.48 C ATOM 928 C PHE A 60 -5.675 2.668 -2.415 1.00 0.48 C ATOM 929 O PHE A 60 -5.060 1.616 -2.589 1.00 0.45 O ATOM 930 CB PHE A 60 -6.499 3.154 -4.776 1.00 0.50 C ATOM 931 CG PHE A 60 -7.533 2.061 -4.567 1.00 0.48 C ATOM 932 CD1 PHE A 60 -7.139 0.773 -4.253 1.00 0.44 C ATOM 933 CD2 PHE A 60 -8.884 2.305 -4.755 1.00 0.69 C ATOM 934 CE1 PHE A 60 -8.047 -0.245 -4.126 1.00 0.47 C ATOM 935 CE2 PHE A 60 -9.812 1.282 -4.618 1.00 0.71 C ATOM 936 CZ PHE A 60 -9.385 0.002 -4.302 1.00 0.54 C ATOM 0 H PHE A 60 -4.075 3.620 -4.690 1.00 0.48 H new ATOM 0 HA PHE A 60 -6.383 4.537 -3.144 1.00 0.48 H new ATOM 0 HB2 PHE A 60 -6.987 3.988 -5.281 1.00 0.50 H new ATOM 0 HB3 PHE A 60 -5.737 2.772 -5.455 1.00 0.50 H new ATOM 0 HD1 PHE A 60 -6.090 0.565 -4.104 1.00 0.44 H new ATOM 0 HD2 PHE A 60 -9.218 3.300 -5.010 1.00 0.69 H new ATOM 0 HE1 PHE A 60 -7.709 -1.243 -3.887 1.00 0.47 H new ATOM 0 HE2 PHE A 60 -10.864 1.483 -4.757 1.00 0.71 H new ATOM 0 HZ PHE A 60 -10.103 -0.798 -4.195 1.00 0.54 H new ATOM 946 N ARG A 61 -6.191 3.011 -1.259 1.00 0.60 N ATOM 947 CA ARG A 61 -6.359 2.043 -0.202 1.00 0.70 C ATOM 948 C ARG A 61 -7.847 1.902 0.022 1.00 0.69 C ATOM 949 O ARG A 61 -8.465 2.749 0.664 1.00 0.88 O ATOM 950 CB ARG A 61 -5.622 2.481 1.072 1.00 1.03 C ATOM 951 CG ARG A 61 -6.044 1.736 2.329 1.00 1.21 C ATOM 952 CD ARG A 61 -5.980 0.226 2.153 1.00 1.51 C ATOM 953 NE ARG A 61 -6.476 -0.470 3.334 1.00 2.25 N ATOM 954 CZ ARG A 61 -6.461 -1.789 3.489 1.00 2.70 C ATOM 955 NH1 ARG A 61 -5.909 -2.568 2.562 1.00 2.72 N ATOM 956 NH2 ARG A 61 -6.988 -2.322 4.584 1.00 3.56 N ATOM 0 H ARG A 61 -6.502 3.954 -1.026 1.00 0.60 H new ATOM 0 HA ARG A 61 -5.926 1.081 -0.476 1.00 0.70 H new ATOM 0 HB2 ARG A 61 -4.551 2.342 0.924 1.00 1.03 H new ATOM 0 HB3 ARG A 61 -5.787 3.548 1.224 1.00 1.03 H new ATOM 0 HG2 ARG A 61 -5.400 2.031 3.157 1.00 1.21 H new ATOM 0 HG3 ARG A 61 -7.060 2.026 2.597 1.00 1.21 H new ATOM 0 HD2 ARG A 61 -6.569 -0.065 1.283 1.00 1.51 H new ATOM 0 HD3 ARG A 61 -4.951 -0.075 1.957 1.00 1.51 H new ATOM 0 HE ARG A 61 -6.860 0.094 4.092 1.00 2.25 H new ATOM 0 HH11 ARG A 61 -5.495 -2.153 1.728 1.00 2.72 H new ATOM 0 HH12 ARG A 61 -5.900 -3.580 2.686 1.00 2.72 H new ATOM 0 HH21 ARG A 61 -7.400 -1.720 5.297 1.00 3.56 H new ATOM 0 HH22 ARG A 61 -6.982 -3.334 4.713 1.00 3.56 H new ATOM 970 N LEU A 62 -8.383 0.805 -0.515 1.00 0.78 N ATOM 971 CA LEU A 62 -9.834 0.607 -0.732 1.00 1.07 C ATOM 972 C LEU A 62 -10.549 1.873 -1.260 1.00 1.19 C ATOM 973 O LEU A 62 -11.768 1.863 -1.449 1.00 1.40 O ATOM 974 CB LEU A 62 -10.526 0.112 0.547 1.00 1.26 C ATOM 975 CG LEU A 62 -10.567 1.091 1.723 1.00 1.08 C ATOM 976 CD1 LEU A 62 -11.973 1.185 2.291 1.00 1.36 C ATOM 977 CD2 LEU A 62 -9.590 0.647 2.798 1.00 1.32 C ATOM 0 H LEU A 62 -7.820 0.011 -0.819 1.00 0.78 H new ATOM 0 HA LEU A 62 -9.916 -0.157 -1.505 1.00 1.07 H new ATOM 0 HB2 LEU A 62 -11.550 -0.163 0.296 1.00 1.26 H new ATOM 0 HB3 LEU A 62 -10.023 -0.797 0.877 1.00 1.26 H new ATOM 0 HG LEU A 62 -10.277 2.080 1.367 1.00 1.08 H new ATOM 0 HD11 LEU A 62 -11.982 1.886 3.126 1.00 1.36 H new ATOM 0 HD12 LEU A 62 -12.656 1.535 1.517 1.00 1.36 H new ATOM 0 HD13 LEU A 62 -12.291 0.202 2.639 1.00 1.36 H new ATOM 0 HD21 LEU A 62 -9.624 1.348 3.632 1.00 1.32 H new ATOM 0 HD22 LEU A 62 -9.863 -0.348 3.149 1.00 1.32 H new ATOM 0 HD23 LEU A 62 -8.581 0.623 2.385 1.00 1.32 H new